USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1017 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 59 HIS :FLIP no HD1:sc= -0.65 F(o=-3.4!,f=-0.95) USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.304 (180deg=-1.2!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 38:sc= 0.0175 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -2.42 K(o=-2.4,f=-6.9!) USER MOD Single : A 16 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.28) USER MOD Single : A 26 ASN : amide:sc= -0.0934 X(o=-0.093,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -160:sc= -1.07 USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= -0.159 (180deg=-0.163) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -121:sc= 1.21 (180deg=0.278) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.185 F(o=-1.5,f=-0.18) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0.0664 K(o=0.066,f=-1.2) USER MOD Single : A 68 THR OG1 : rot 70:sc= -3.06! USER MOD Single : A 70 THR OG1 : rot -49:sc= 0.503 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 89 SER OG : rot 180:sc= -1.18 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -2.52 K(o=-2.5,f=-4.5!) USER MOD Single : A 106 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.054) USER MOD Single : A 109 GLN : amide:sc=-0.00286 X(o=-0.0029,f=-0.45!) USER MOD Single : A 111 SER OG : rot 58:sc= 0.315 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.732 K(o=-0.73,f=-1.2) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 123 ASN : amide:sc= -0.497 K(o=-0.5,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.275 27.546 -2.836 1.00 0.00 N ATOM 2 CA MET A 1 10.252 26.710 -3.530 1.00 0.00 C ATOM 3 C MET A 1 9.700 25.612 -2.617 1.00 0.00 C ATOM 4 O MET A 1 8.489 25.521 -2.418 1.00 0.00 O ATOM 5 CB MET A 1 10.865 26.102 -4.803 1.00 0.00 C ATOM 6 CG MET A 1 12.203 25.406 -4.590 1.00 0.00 C ATOM 7 SD MET A 1 13.258 25.467 -6.051 1.00 0.00 S ATOM 8 CE MET A 1 13.678 23.736 -6.235 1.00 0.00 C ATOM 0 H1 MET A 1 11.912 27.970 -3.540 1.00 0.00 H new ATOM 0 H2 MET A 1 10.801 28.300 -2.299 1.00 0.00 H new ATOM 0 H3 MET A 1 11.826 26.951 -2.185 1.00 0.00 H new ATOM 0 HA MET A 1 9.413 27.351 -3.801 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.160 25.385 -5.224 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.995 26.893 -5.542 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.722 25.873 -3.752 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.027 24.366 -4.317 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.329 23.610 -7.100 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.193 23.389 -5.339 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.768 23.154 -6.378 1.00 0.00 H new ATOM 20 N VAL A 2 10.588 24.779 -2.066 1.00 0.00 N ATOM 21 CA VAL A 2 10.170 23.694 -1.179 1.00 0.00 C ATOM 22 C VAL A 2 11.317 23.222 -0.283 1.00 0.00 C ATOM 23 O VAL A 2 12.466 23.140 -0.721 1.00 0.00 O ATOM 24 CB VAL A 2 9.624 22.493 -1.984 1.00 0.00 C ATOM 25 CG1 VAL A 2 10.701 21.912 -2.891 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.071 21.430 -1.044 1.00 0.00 C ATOM 0 H VAL A 2 11.595 24.836 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 2 9.376 24.094 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 2 8.810 22.846 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.292 21.068 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.040 22.677 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.543 21.575 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.691 20.591 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.864 21.082 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.262 21.855 -0.449 1.00 0.00 H new ATOM 36 N ALA A 3 10.992 22.915 0.976 1.00 0.00 N ATOM 37 CA ALA A 3 11.991 22.449 1.938 1.00 0.00 C ATOM 38 C ALA A 3 11.356 21.603 3.050 1.00 0.00 C ATOM 39 O ALA A 3 11.777 21.666 4.208 1.00 0.00 O ATOM 40 CB ALA A 3 12.737 23.637 2.533 1.00 0.00 C ATOM 0 H ALA A 3 10.046 22.981 1.351 1.00 0.00 H new ATOM 0 HA ALA A 3 12.698 21.812 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.478 23.280 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.237 24.189 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.030 24.293 3.041 1.00 0.00 H new ATOM 46 N THR A 4 10.349 20.806 2.690 1.00 0.00 N ATOM 47 CA THR A 4 9.664 19.946 3.654 1.00 0.00 C ATOM 48 C THR A 4 9.085 18.719 2.958 1.00 0.00 C ATOM 49 O THR A 4 8.342 18.844 1.982 1.00 0.00 O ATOM 50 CB THR A 4 8.546 20.708 4.378 1.00 0.00 C ATOM 51 OG1 THR A 4 8.070 21.792 3.594 1.00 0.00 O ATOM 52 CG2 THR A 4 8.968 21.266 5.722 1.00 0.00 C ATOM 0 H THR A 4 9.990 20.739 1.738 1.00 0.00 H new ATOM 0 HA THR A 4 10.398 19.625 4.393 1.00 0.00 H new ATOM 0 HB THR A 4 7.762 19.967 4.538 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.357 22.258 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.129 21.792 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.281 20.450 6.373 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.798 21.959 5.584 1.00 0.00 H new ATOM 60 N VAL A 5 9.428 17.535 3.463 1.00 0.00 N ATOM 61 CA VAL A 5 8.935 16.288 2.886 1.00 0.00 C ATOM 62 C VAL A 5 8.371 15.371 3.966 1.00 0.00 C ATOM 63 O VAL A 5 9.085 14.960 4.884 1.00 0.00 O ATOM 64 CB VAL A 5 10.042 15.539 2.113 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.451 14.380 1.323 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.797 16.486 1.191 1.00 0.00 C ATOM 0 H VAL A 5 10.043 17.414 4.268 1.00 0.00 H new ATOM 0 HA VAL A 5 8.142 16.557 2.188 1.00 0.00 H new ATOM 0 HB VAL A 5 10.750 15.137 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.246 13.864 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.965 13.684 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.719 14.761 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.571 15.934 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.104 16.924 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.257 17.278 1.781 1.00 0.00 H new ATOM 76 N LYS A 6 7.084 15.049 3.846 1.00 0.00 N ATOM 77 CA LYS A 6 6.413 14.177 4.805 1.00 0.00 C ATOM 78 C LYS A 6 5.584 13.117 4.084 1.00 0.00 C ATOM 79 O LYS A 6 4.573 13.431 3.451 1.00 0.00 O ATOM 80 CB LYS A 6 5.519 15.002 5.736 1.00 0.00 C ATOM 81 CG LYS A 6 6.283 15.708 6.849 1.00 0.00 C ATOM 82 CD LYS A 6 5.358 16.132 7.980 1.00 0.00 C ATOM 83 CE LYS A 6 4.620 17.422 7.649 1.00 0.00 C ATOM 84 NZ LYS A 6 3.454 17.645 8.549 1.00 0.00 N ATOM 0 H LYS A 6 6.484 15.381 3.091 1.00 0.00 H new ATOM 0 HA LYS A 6 7.174 13.673 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.983 15.746 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.769 14.347 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.055 15.045 7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.790 16.584 6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.636 15.339 8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.938 16.268 8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.307 18.264 7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.278 17.389 6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.980 18.534 8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.785 16.855 8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.782 17.703 9.534 1.00 0.00 H new ATOM 98 N ARG A 7 6.023 11.862 4.176 1.00 0.00 N ATOM 99 CA ARG A 7 5.328 10.752 3.529 1.00 0.00 C ATOM 100 C ARG A 7 5.009 9.641 4.524 1.00 0.00 C ATOM 101 O ARG A 7 5.605 9.562 5.599 1.00 0.00 O ATOM 102 CB ARG A 7 6.174 10.182 2.385 1.00 0.00 C ATOM 103 CG ARG A 7 6.830 11.239 1.511 1.00 0.00 C ATOM 104 CD ARG A 7 6.983 10.754 0.079 1.00 0.00 C ATOM 105 NE ARG A 7 7.180 11.859 -0.854 1.00 0.00 N ATOM 106 CZ ARG A 7 8.365 12.402 -1.134 1.00 0.00 C ATOM 107 NH1 ARG A 7 9.475 11.945 -0.558 1.00 0.00 N ATOM 108 NH2 ARG A 7 8.441 13.411 -1.995 1.00 0.00 N ATOM 0 H ARG A 7 6.859 11.589 4.694 1.00 0.00 H new ATOM 0 HA ARG A 7 4.392 11.141 3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.949 9.541 2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.542 9.550 1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.231 12.150 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.809 11.494 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.830 10.071 0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.096 10.190 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 7 6.358 12.240 -1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.424 11.172 0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.376 12.368 -0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.595 13.767 -2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.346 13.829 -2.212 1.00 0.00 H new ATOM 122 N THR A 8 4.068 8.777 4.148 1.00 0.00 N ATOM 123 CA THR A 8 3.662 7.654 4.991 1.00 0.00 C ATOM 124 C THR A 8 2.747 6.705 4.218 1.00 0.00 C ATOM 125 O THR A 8 1.651 7.087 3.807 1.00 0.00 O ATOM 126 CB THR A 8 2.959 8.152 6.262 1.00 0.00 C ATOM 127 OG1 THR A 8 2.376 7.071 6.974 1.00 0.00 O ATOM 128 CG2 THR A 8 1.864 9.166 5.992 1.00 0.00 C ATOM 0 H THR A 8 3.570 8.834 3.260 1.00 0.00 H new ATOM 0 HA THR A 8 4.560 7.110 5.285 1.00 0.00 H new ATOM 0 HB THR A 8 3.741 8.636 6.847 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.966 6.290 6.923 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.412 9.473 6.935 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.289 10.037 5.493 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.103 8.718 5.353 1.00 0.00 H new ATOM 136 N ILE A 9 3.204 5.468 4.028 1.00 0.00 N ATOM 137 CA ILE A 9 2.426 4.469 3.309 1.00 0.00 C ATOM 138 C ILE A 9 1.790 3.475 4.275 1.00 0.00 C ATOM 139 O ILE A 9 2.485 2.762 5.002 1.00 0.00 O ATOM 140 CB ILE A 9 3.285 3.711 2.268 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.404 2.788 1.419 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.401 2.922 2.943 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.945 2.542 0.027 1.00 0.00 C ATOM 0 H ILE A 9 4.109 5.137 4.363 1.00 0.00 H new ATOM 0 HA ILE A 9 1.639 5.002 2.776 1.00 0.00 H new ATOM 0 HB ILE A 9 3.750 4.447 1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.295 1.832 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.408 3.223 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.987 2.400 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.047 3.605 3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.968 2.196 3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.269 1.880 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.027 3.490 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.929 2.078 0.096 1.00 0.00 H new ATOM 155 N ARG A 10 0.460 3.435 4.283 1.00 0.00 N ATOM 156 CA ARG A 10 -0.271 2.532 5.161 1.00 0.00 C ATOM 157 C ARG A 10 -1.103 1.542 4.349 1.00 0.00 C ATOM 158 O ARG A 10 -2.069 1.927 3.685 1.00 0.00 O ATOM 159 CB ARG A 10 -1.171 3.327 6.112 1.00 0.00 C ATOM 160 CG ARG A 10 -0.959 2.987 7.580 1.00 0.00 C ATOM 161 CD ARG A 10 -1.450 4.101 8.495 1.00 0.00 C ATOM 162 NE ARG A 10 -2.886 4.348 8.358 1.00 0.00 N ATOM 163 CZ ARG A 10 -3.625 4.980 9.275 1.00 0.00 C ATOM 164 NH1 ARG A 10 -3.072 5.418 10.403 1.00 0.00 N ATOM 165 NH2 ARG A 10 -4.923 5.175 9.067 1.00 0.00 N ATOM 0 H ARG A 10 -0.131 4.018 3.691 1.00 0.00 H new ATOM 0 HA ARG A 10 0.452 1.969 5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.990 4.392 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.213 3.142 5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.485 2.062 7.819 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.101 2.807 7.762 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.227 3.842 9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.904 5.018 8.271 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.351 4.018 7.512 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.077 5.272 10.573 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.643 5.899 11.098 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.357 4.842 8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.485 5.658 9.768 1.00 0.00 H new ATOM 179 N ILE A 11 -0.720 0.266 4.401 1.00 0.00 N ATOM 180 CA ILE A 11 -1.428 -0.785 3.670 1.00 0.00 C ATOM 181 C ILE A 11 -2.109 -1.763 4.625 1.00 0.00 C ATOM 182 O ILE A 11 -1.502 -2.216 5.596 1.00 0.00 O ATOM 183 CB ILE A 11 -0.478 -1.568 2.731 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.660 -2.221 3.525 1.00 0.00 C ATOM 185 CG2 ILE A 11 0.082 -0.651 1.653 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.568 -3.094 2.684 1.00 0.00 C ATOM 0 H ILE A 11 0.078 -0.065 4.943 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.187 -0.287 3.066 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.053 -2.359 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.257 -1.440 3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.233 -2.823 4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.748 -1.218 1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.737 -0.239 1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.638 0.162 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.348 -3.521 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.985 -3.897 2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.025 -2.493 1.898 1.00 0.00 H new ATOM 198 N LYS A 12 -3.374 -2.083 4.344 1.00 0.00 N ATOM 199 CA LYS A 12 -4.135 -3.008 5.183 1.00 0.00 C ATOM 200 C LYS A 12 -4.774 -4.111 4.340 1.00 0.00 C ATOM 201 O LYS A 12 -5.496 -3.833 3.381 1.00 0.00 O ATOM 202 CB LYS A 12 -5.211 -2.253 5.965 1.00 0.00 C ATOM 203 CG LYS A 12 -4.665 -1.474 7.152 1.00 0.00 C ATOM 204 CD LYS A 12 -4.031 -0.161 6.719 1.00 0.00 C ATOM 205 CE LYS A 12 -4.261 0.936 7.745 1.00 0.00 C ATOM 206 NZ LYS A 12 -5.426 1.795 7.390 1.00 0.00 N ATOM 0 H LYS A 12 -3.891 -1.716 3.545 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.445 -3.472 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.721 -1.564 5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.957 -2.964 6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.471 -1.274 7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.926 -2.080 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.960 -0.304 6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.446 0.145 5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.426 0.488 8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.366 1.553 7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.549 2.531 8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.258 2.243 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.285 1.211 7.340 1.00 0.00 H new ATOM 220 N THR A 13 -4.497 -5.365 4.703 1.00 0.00 N ATOM 221 CA THR A 13 -5.037 -6.516 3.984 1.00 0.00 C ATOM 222 C THR A 13 -5.656 -7.524 4.953 1.00 0.00 C ATOM 223 O THR A 13 -4.943 -8.265 5.630 1.00 0.00 O ATOM 224 CB THR A 13 -3.933 -7.192 3.159 1.00 0.00 C ATOM 225 OG1 THR A 13 -3.063 -6.232 2.581 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.468 -8.055 2.040 1.00 0.00 C ATOM 0 H THR A 13 -3.900 -5.608 5.493 1.00 0.00 H new ATOM 0 HA THR A 13 -5.818 -6.160 3.312 1.00 0.00 H new ATOM 0 HB THR A 13 -3.399 -7.825 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.369 -6.690 2.063 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.636 -8.503 1.497 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.096 -8.843 2.456 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.059 -7.443 1.359 1.00 0.00 H new ATOM 234 N GLN A 14 -6.989 -7.545 5.014 1.00 0.00 N ATOM 235 CA GLN A 14 -7.701 -8.464 5.901 1.00 0.00 C ATOM 236 C GLN A 14 -8.576 -9.433 5.105 1.00 0.00 C ATOM 237 O GLN A 14 -9.116 -9.076 4.058 1.00 0.00 O ATOM 238 CB GLN A 14 -8.561 -7.681 6.899 1.00 0.00 C ATOM 239 CG GLN A 14 -7.831 -7.330 8.186 1.00 0.00 C ATOM 240 CD GLN A 14 -8.761 -6.787 9.255 1.00 0.00 C ATOM 241 OE1 GLN A 14 -9.625 -7.502 9.762 1.00 0.00 O ATOM 242 NE2 GLN A 14 -8.590 -5.516 9.600 1.00 0.00 N ATOM 0 H GLN A 14 -7.594 -6.938 4.461 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.958 -9.045 6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.907 -6.762 6.425 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.447 -8.268 7.142 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.325 -8.218 8.566 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.059 -6.591 7.972 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.861 -4.960 9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.188 -5.096 10.312 1.00 0.00 H new ATOM 251 N GLN A 15 -8.709 -10.662 5.609 1.00 0.00 N ATOM 252 CA GLN A 15 -9.517 -11.688 4.944 1.00 0.00 C ATOM 253 C GLN A 15 -10.191 -12.600 5.969 1.00 0.00 C ATOM 254 O GLN A 15 -9.642 -12.842 7.042 1.00 0.00 O ATOM 255 CB GLN A 15 -8.638 -12.521 4.005 1.00 0.00 C ATOM 256 CG GLN A 15 -9.344 -13.736 3.414 1.00 0.00 C ATOM 257 CD GLN A 15 -9.071 -13.928 1.929 1.00 0.00 C ATOM 258 OE1 GLN A 15 -8.912 -15.056 1.461 1.00 0.00 O ATOM 259 NE2 GLN A 15 -9.020 -12.832 1.175 1.00 0.00 N ATOM 0 H GLN A 15 -8.268 -10.971 6.475 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.293 -11.189 4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.288 -11.885 3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.756 -12.855 4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.028 -14.629 3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.418 -13.634 3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.157 -11.914 1.599 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.844 -12.910 0.173 1.00 0.00 H new ATOM 268 N HIS A 16 -11.382 -13.108 5.638 1.00 0.00 N ATOM 269 CA HIS A 16 -12.102 -13.993 6.551 1.00 0.00 C ATOM 270 C HIS A 16 -13.200 -14.773 5.831 1.00 0.00 C ATOM 271 O HIS A 16 -14.122 -14.183 5.269 1.00 0.00 O ATOM 272 CB HIS A 16 -12.709 -13.178 7.696 1.00 0.00 C ATOM 273 CG HIS A 16 -12.831 -13.931 8.989 1.00 0.00 C ATOM 274 ND1 HIS A 16 -12.552 -15.278 9.117 1.00 0.00 N ATOM 275 CD2 HIS A 16 -13.210 -13.510 10.218 1.00 0.00 C ATOM 276 CE1 HIS A 16 -12.756 -15.650 10.369 1.00 0.00 C ATOM 277 NE2 HIS A 16 -13.155 -14.595 11.056 1.00 0.00 N ATOM 0 H HIS A 16 -11.861 -12.923 4.756 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.388 -14.713 6.951 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.096 -12.292 7.861 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.698 -12.831 7.396 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.502 -12.506 10.489 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.620 -16.646 10.763 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.385 -14.588 12.050 1.00 0.00 H new ATOM 286 N ILE A 17 -13.106 -16.106 5.865 1.00 0.00 N ATOM 287 CA ILE A 17 -14.112 -16.955 5.221 1.00 0.00 C ATOM 288 C ILE A 17 -15.423 -16.927 6.005 1.00 0.00 C ATOM 289 O ILE A 17 -15.420 -16.807 7.231 1.00 0.00 O ATOM 290 CB ILE A 17 -13.640 -18.424 5.094 1.00 0.00 C ATOM 291 CG1 ILE A 17 -12.289 -18.504 4.384 1.00 0.00 C ATOM 292 CG2 ILE A 17 -14.672 -19.248 4.341 1.00 0.00 C ATOM 293 CD1 ILE A 17 -11.515 -19.769 4.696 1.00 0.00 C ATOM 0 H ILE A 17 -12.352 -16.616 6.326 1.00 0.00 H new ATOM 0 HA ILE A 17 -14.265 -16.551 4.220 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.526 -18.830 6.099 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.449 -18.442 3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.687 -17.640 4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -14.326 -20.278 4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.619 -19.225 4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -14.812 -18.832 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.567 -19.758 4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.323 -19.823 5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.097 -20.637 4.387 1.00 0.00 H new ATOM 305 N LEU A 18 -16.544 -17.042 5.289 1.00 0.00 N ATOM 306 CA LEU A 18 -17.862 -17.037 5.920 1.00 0.00 C ATOM 307 C LEU A 18 -18.625 -18.326 5.603 1.00 0.00 C ATOM 308 O LEU A 18 -19.544 -18.329 4.780 1.00 0.00 O ATOM 309 CB LEU A 18 -18.671 -15.813 5.466 1.00 0.00 C ATOM 310 CG LEU A 18 -19.040 -14.826 6.577 1.00 0.00 C ATOM 311 CD1 LEU A 18 -19.877 -15.510 7.649 1.00 0.00 C ATOM 312 CD2 LEU A 18 -17.785 -14.213 7.182 1.00 0.00 C ATOM 0 H LEU A 18 -16.564 -17.139 4.274 1.00 0.00 H new ATOM 0 HA LEU A 18 -17.720 -16.981 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.099 -15.282 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.589 -16.160 4.991 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.637 -14.025 6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.128 -14.791 8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.793 -15.897 7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.310 -16.333 8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.065 -13.514 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.161 -15.002 7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.229 -13.684 6.408 1.00 0.00 H new ATOM 324 N PRO A 19 -18.251 -19.444 6.255 1.00 0.00 N ATOM 325 CA PRO A 19 -18.902 -20.742 6.043 1.00 0.00 C ATOM 326 C PRO A 19 -20.271 -20.837 6.720 1.00 0.00 C ATOM 327 O PRO A 19 -21.116 -21.631 6.309 1.00 0.00 O ATOM 328 CB PRO A 19 -17.923 -21.731 6.674 1.00 0.00 C ATOM 329 CG PRO A 19 -17.237 -20.952 7.744 1.00 0.00 C ATOM 330 CD PRO A 19 -17.163 -19.529 7.251 1.00 0.00 C ATOM 0 HA PRO A 19 -19.102 -20.927 4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -18.443 -22.596 7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.211 -22.107 5.939 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.789 -21.010 8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.240 -21.349 7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.307 -18.816 8.063 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.193 -19.310 6.804 1.00 0.00 H new ATOM 338 N GLU A 20 -20.480 -20.024 7.759 1.00 0.00 N ATOM 339 CA GLU A 20 -21.747 -20.017 8.492 1.00 0.00 C ATOM 340 C GLU A 20 -22.931 -19.761 7.557 1.00 0.00 C ATOM 341 O GLU A 20 -24.029 -20.274 7.779 1.00 0.00 O ATOM 342 CB GLU A 20 -21.717 -18.956 9.597 1.00 0.00 C ATOM 343 CG GLU A 20 -21.261 -19.495 10.944 1.00 0.00 C ATOM 344 CD GLU A 20 -22.349 -19.427 11.997 1.00 0.00 C ATOM 345 OE1 GLU A 20 -22.458 -18.383 12.673 1.00 0.00 O ATOM 346 OE2 GLU A 20 -23.093 -20.420 12.146 1.00 0.00 O ATOM 0 H GLU A 20 -19.788 -19.363 8.111 1.00 0.00 H new ATOM 0 HA GLU A 20 -21.875 -21.002 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -21.052 -18.147 9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -22.713 -18.527 9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -20.938 -20.529 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -20.395 -18.927 11.284 1.00 0.00 H new ATOM 353 N VAL A 21 -22.702 -18.967 6.511 1.00 0.00 N ATOM 354 CA VAL A 21 -23.746 -18.646 5.542 1.00 0.00 C ATOM 355 C VAL A 21 -23.986 -19.818 4.589 1.00 0.00 C ATOM 356 O VAL A 21 -23.036 -20.386 4.047 1.00 0.00 O ATOM 357 CB VAL A 21 -23.382 -17.395 4.713 1.00 0.00 C ATOM 358 CG1 VAL A 21 -24.561 -16.959 3.857 1.00 0.00 C ATOM 359 CG2 VAL A 21 -22.922 -16.258 5.617 1.00 0.00 C ATOM 0 H VAL A 21 -21.800 -18.534 6.314 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.654 -18.445 6.110 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.555 -17.655 4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -24.285 -16.076 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -24.835 -17.766 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -25.409 -16.722 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -22.671 -15.389 5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -23.722 -15.998 6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -22.043 -16.573 6.179 1.00 0.00 H new ATOM 369 N PRO A 22 -25.261 -20.196 4.371 1.00 0.00 N ATOM 370 CA PRO A 22 -25.612 -21.305 3.479 1.00 0.00 C ATOM 371 C PRO A 22 -25.484 -20.928 2.000 1.00 0.00 C ATOM 372 O PRO A 22 -26.257 -20.116 1.490 1.00 0.00 O ATOM 373 CB PRO A 22 -27.070 -21.593 3.838 1.00 0.00 C ATOM 374 CG PRO A 22 -27.606 -20.285 4.311 1.00 0.00 C ATOM 375 CD PRO A 22 -26.458 -19.575 4.977 1.00 0.00 C ATOM 0 HA PRO A 22 -24.949 -22.161 3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -27.626 -21.960 2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -27.144 -22.356 4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -27.995 -19.700 3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -28.430 -20.432 5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -26.489 -18.501 4.791 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -26.476 -19.712 6.058 1.00 0.00 H new ATOM 383 N PRO A 23 -24.501 -21.518 1.288 1.00 0.00 N ATOM 384 CA PRO A 23 -24.276 -21.241 -0.139 1.00 0.00 C ATOM 385 C PRO A 23 -25.371 -21.835 -1.032 1.00 0.00 C ATOM 386 O PRO A 23 -26.309 -22.462 -0.539 1.00 0.00 O ATOM 387 CB PRO A 23 -22.927 -21.912 -0.419 1.00 0.00 C ATOM 388 CG PRO A 23 -22.837 -23.009 0.584 1.00 0.00 C ATOM 389 CD PRO A 23 -23.533 -22.500 1.817 1.00 0.00 C ATOM 0 HA PRO A 23 -24.290 -20.173 -0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -22.881 -22.301 -1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -22.103 -21.207 -0.310 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -23.313 -23.917 0.214 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -21.798 -23.259 0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.032 -23.305 2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -22.832 -22.038 2.512 1.00 0.00 H new ATOM 397 N VAL A 24 -25.242 -21.629 -2.346 1.00 0.00 N ATOM 398 CA VAL A 24 -26.222 -22.143 -3.309 1.00 0.00 C ATOM 399 C VAL A 24 -26.340 -23.666 -3.237 1.00 0.00 C ATOM 400 O VAL A 24 -27.417 -24.222 -3.462 1.00 0.00 O ATOM 401 CB VAL A 24 -25.880 -21.733 -4.760 1.00 0.00 C ATOM 402 CG1 VAL A 24 -26.172 -20.258 -4.980 1.00 0.00 C ATOM 403 CG2 VAL A 24 -24.428 -22.053 -5.094 1.00 0.00 C ATOM 0 H VAL A 24 -24.471 -21.111 -2.767 1.00 0.00 H new ATOM 0 HA VAL A 24 -27.177 -21.696 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 24 -26.512 -22.313 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -25.925 -19.987 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -27.229 -20.065 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -25.571 -19.662 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -24.216 -21.754 -6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -23.770 -21.510 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -24.257 -23.124 -4.986 1.00 0.00 H new ATOM 413 N GLU A 25 -25.231 -24.333 -2.922 1.00 0.00 N ATOM 414 CA GLU A 25 -25.209 -25.788 -2.817 1.00 0.00 C ATOM 415 C GLU A 25 -24.021 -26.245 -1.971 1.00 0.00 C ATOM 416 O GLU A 25 -24.199 -26.769 -0.870 1.00 0.00 O ATOM 417 CB GLU A 25 -25.150 -26.426 -4.208 1.00 0.00 C ATOM 418 CG GLU A 25 -25.703 -27.845 -4.253 1.00 0.00 C ATOM 419 CD GLU A 25 -27.044 -27.931 -4.956 1.00 0.00 C ATOM 420 OE1 GLU A 25 -27.130 -27.510 -6.129 1.00 0.00 O ATOM 421 OE2 GLU A 25 -28.009 -28.424 -4.335 1.00 0.00 O ATOM 0 H GLU A 25 -24.334 -23.886 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.128 -26.111 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -25.710 -25.805 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -24.115 -26.438 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.989 -28.492 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -25.806 -28.222 -3.236 1.00 0.00 H new ATOM 428 N ASN A 26 -22.811 -26.038 -2.487 1.00 0.00 N ATOM 429 CA ASN A 26 -21.592 -26.424 -1.774 1.00 0.00 C ATOM 430 C ASN A 26 -20.393 -25.595 -2.246 1.00 0.00 C ATOM 431 O ASN A 26 -19.257 -26.075 -2.246 1.00 0.00 O ATOM 432 CB ASN A 26 -21.313 -27.921 -1.967 1.00 0.00 C ATOM 433 CG ASN A 26 -21.098 -28.302 -3.422 1.00 0.00 C ATOM 434 OD1 ASN A 26 -19.963 -28.458 -3.875 1.00 0.00 O ATOM 435 ND2 ASN A 26 -22.189 -28.456 -4.164 1.00 0.00 N ATOM 0 H ASN A 26 -22.647 -25.605 -3.396 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.744 -26.227 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.430 -28.198 -1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -22.148 -28.495 -1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -22.105 -28.713 -5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -23.111 -28.317 -3.750 1.00 0.00 H new ATOM 442 N PHE A 27 -20.652 -24.347 -2.646 1.00 0.00 N ATOM 443 CA PHE A 27 -19.596 -23.456 -3.121 1.00 0.00 C ATOM 444 C PHE A 27 -19.486 -22.214 -2.233 1.00 0.00 C ATOM 445 O PHE A 27 -19.986 -21.143 -2.581 1.00 0.00 O ATOM 446 CB PHE A 27 -19.860 -23.049 -4.577 1.00 0.00 C ATOM 447 CG PHE A 27 -18.706 -22.332 -5.225 1.00 0.00 C ATOM 448 CD1 PHE A 27 -17.516 -22.992 -5.487 1.00 0.00 C ATOM 449 CD2 PHE A 27 -18.816 -20.994 -5.575 1.00 0.00 C ATOM 450 CE1 PHE A 27 -16.456 -22.333 -6.084 1.00 0.00 C ATOM 451 CE2 PHE A 27 -17.761 -20.330 -6.172 1.00 0.00 C ATOM 452 CZ PHE A 27 -16.580 -21.001 -6.427 1.00 0.00 C ATOM 0 H PHE A 27 -21.584 -23.933 -2.649 1.00 0.00 H new ATOM 0 HA PHE A 27 -18.649 -23.993 -3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -20.094 -23.942 -5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -20.740 -22.407 -4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -17.415 -24.034 -5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -19.737 -20.465 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -15.534 -22.859 -6.281 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -17.859 -19.288 -6.439 1.00 0.00 H new ATOM 0 HZ PHE A 27 -15.755 -20.484 -6.894 1.00 0.00 H new ATOM 462 N PRO A 28 -18.829 -22.347 -1.063 1.00 0.00 N ATOM 463 CA PRO A 28 -18.654 -21.237 -0.118 1.00 0.00 C ATOM 464 C PRO A 28 -17.672 -20.181 -0.626 1.00 0.00 C ATOM 465 O PRO A 28 -16.845 -20.460 -1.500 1.00 0.00 O ATOM 466 CB PRO A 28 -18.102 -21.920 1.135 1.00 0.00 C ATOM 467 CG PRO A 28 -17.423 -23.147 0.629 1.00 0.00 C ATOM 468 CD PRO A 28 -18.210 -23.595 -0.571 1.00 0.00 C ATOM 0 HA PRO A 28 -19.586 -20.697 0.048 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -17.404 -21.271 1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.900 -22.169 1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -16.388 -22.937 0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -17.402 -23.924 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -17.568 -24.049 -1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -18.962 -24.338 -0.304 1.00 0.00 H new ATOM 476 N VAL A 29 -17.766 -18.975 -0.072 1.00 0.00 N ATOM 477 CA VAL A 29 -16.886 -17.875 -0.464 1.00 0.00 C ATOM 478 C VAL A 29 -16.112 -17.329 0.738 1.00 0.00 C ATOM 479 O VAL A 29 -16.319 -17.770 1.870 1.00 0.00 O ATOM 480 CB VAL A 29 -17.670 -16.722 -1.132 1.00 0.00 C ATOM 481 CG1 VAL A 29 -18.134 -17.125 -2.524 1.00 0.00 C ATOM 482 CG2 VAL A 29 -18.851 -16.296 -0.268 1.00 0.00 C ATOM 0 H VAL A 29 -18.444 -18.733 0.651 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.182 -18.284 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.001 -15.867 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.684 -16.300 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.268 -17.366 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.783 -17.998 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.387 -15.484 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -19.524 -17.142 -0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -18.488 -15.957 0.702 1.00 0.00 H new ATOM 492 N ARG A 30 -15.223 -16.368 0.482 1.00 0.00 N ATOM 493 CA ARG A 30 -14.417 -15.758 1.538 1.00 0.00 C ATOM 494 C ARG A 30 -14.457 -14.232 1.448 1.00 0.00 C ATOM 495 O ARG A 30 -14.791 -13.672 0.404 1.00 0.00 O ATOM 496 CB ARG A 30 -12.964 -16.255 1.461 1.00 0.00 C ATOM 497 CG ARG A 30 -12.405 -16.322 0.045 1.00 0.00 C ATOM 498 CD ARG A 30 -11.194 -17.240 -0.039 1.00 0.00 C ATOM 499 NE ARG A 30 -11.172 -18.012 -1.280 1.00 0.00 N ATOM 500 CZ ARG A 30 -11.921 -19.095 -1.499 1.00 0.00 C ATOM 501 NH1 ARG A 30 -12.764 -19.532 -0.565 1.00 0.00 N ATOM 502 NH2 ARG A 30 -11.832 -19.742 -2.655 1.00 0.00 N ATOM 0 H ARG A 30 -15.043 -15.995 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.841 -16.055 2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.334 -15.596 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.906 -17.246 1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.179 -16.677 -0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.126 -15.321 -0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.283 -16.645 0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.197 -17.922 0.811 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.546 -17.704 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.840 -19.038 0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.333 -20.360 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.191 -19.412 -3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.405 -20.569 -2.822 1.00 0.00 H new ATOM 516 N GLN A 31 -14.118 -13.560 2.548 1.00 0.00 N ATOM 517 CA GLN A 31 -14.121 -12.099 2.577 1.00 0.00 C ATOM 518 C GLN A 31 -12.710 -11.544 2.409 1.00 0.00 C ATOM 519 O GLN A 31 -11.725 -12.248 2.627 1.00 0.00 O ATOM 520 CB GLN A 31 -14.747 -11.587 3.877 1.00 0.00 C ATOM 521 CG GLN A 31 -15.849 -10.567 3.646 1.00 0.00 C ATOM 522 CD GLN A 31 -17.020 -10.743 4.595 1.00 0.00 C ATOM 523 OE1 GLN A 31 -17.962 -11.479 4.304 1.00 0.00 O ATOM 524 NE2 GLN A 31 -16.966 -10.065 5.737 1.00 0.00 N ATOM 0 H GLN A 31 -13.840 -14.001 3.425 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.724 -11.748 1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.152 -12.431 4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.970 -11.139 4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.440 -9.564 3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.204 -10.649 2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.165 -9.466 5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.726 -10.144 6.413 1.00 0.00 H new ATOM 533 N TRP A 32 -12.620 -10.276 2.012 1.00 0.00 N ATOM 534 CA TRP A 32 -11.329 -9.624 1.803 1.00 0.00 C ATOM 535 C TRP A 32 -11.453 -8.101 1.851 1.00 0.00 C ATOM 536 O TRP A 32 -12.501 -7.540 1.528 1.00 0.00 O ATOM 537 CB TRP A 32 -10.718 -10.055 0.462 1.00 0.00 C ATOM 538 CG TRP A 32 -11.620 -9.835 -0.716 1.00 0.00 C ATOM 539 CD1 TRP A 32 -12.699 -10.590 -1.074 1.00 0.00 C ATOM 540 CD2 TRP A 32 -11.515 -8.792 -1.694 1.00 0.00 C ATOM 541 NE1 TRP A 32 -13.273 -10.081 -2.215 1.00 0.00 N ATOM 542 CE2 TRP A 32 -12.565 -8.981 -2.615 1.00 0.00 C ATOM 543 CE3 TRP A 32 -10.639 -7.721 -1.882 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -12.758 -8.133 -3.706 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -10.832 -6.883 -2.964 1.00 0.00 C ATOM 546 CH2 TRP A 32 -11.884 -7.093 -3.864 1.00 0.00 C ATOM 0 H TRP A 32 -13.427 -9.679 1.829 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.671 -9.937 2.614 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.790 -9.506 0.304 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.458 -11.112 0.516 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -13.051 -11.460 -0.539 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -14.093 -10.462 -2.687 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.824 -7.550 -1.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.569 -8.292 -4.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.160 -6.052 -3.118 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -12.008 -6.420 -4.700 1.00 0.00 H new ATOM 557 N SER A 33 -10.369 -7.442 2.256 1.00 0.00 N ATOM 558 CA SER A 33 -10.338 -5.984 2.352 1.00 0.00 C ATOM 559 C SER A 33 -8.935 -5.454 2.065 1.00 0.00 C ATOM 560 O SER A 33 -7.984 -5.771 2.783 1.00 0.00 O ATOM 561 CB SER A 33 -10.793 -5.531 3.743 1.00 0.00 C ATOM 562 OG SER A 33 -10.321 -6.411 4.750 1.00 0.00 O ATOM 0 H SER A 33 -9.497 -7.897 2.524 1.00 0.00 H new ATOM 0 HA SER A 33 -11.022 -5.580 1.606 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.428 -4.523 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.882 -5.487 3.776 1.00 0.00 H new ATOM 0 HG SER A 33 -10.862 -6.302 5.560 1.00 0.00 H new ATOM 568 N ILE A 34 -8.811 -4.649 1.008 1.00 0.00 N ATOM 569 CA ILE A 34 -7.522 -4.079 0.627 1.00 0.00 C ATOM 570 C ILE A 34 -7.587 -2.554 0.534 1.00 0.00 C ATOM 571 O ILE A 34 -8.544 -1.992 -0.004 1.00 0.00 O ATOM 572 CB ILE A 34 -7.027 -4.659 -0.721 1.00 0.00 C ATOM 573 CG1 ILE A 34 -5.604 -4.177 -1.026 1.00 0.00 C ATOM 574 CG2 ILE A 34 -7.976 -4.281 -1.853 1.00 0.00 C ATOM 575 CD1 ILE A 34 -4.574 -4.644 -0.017 1.00 0.00 C ATOM 0 H ILE A 34 -9.587 -4.379 0.403 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.814 -4.350 1.410 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.011 -5.746 -0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.315 -4.529 -2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.598 -3.088 -1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.609 -4.699 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.969 -4.678 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.029 -3.195 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.591 -4.265 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.838 -4.270 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.551 -5.734 0.001 1.00 0.00 H new ATOM 587 N GLU A 35 -6.557 -1.892 1.061 1.00 0.00 N ATOM 588 CA GLU A 35 -6.481 -0.433 1.046 1.00 0.00 C ATOM 589 C GLU A 35 -5.034 0.036 1.188 1.00 0.00 C ATOM 590 O GLU A 35 -4.217 -0.629 1.831 1.00 0.00 O ATOM 591 CB GLU A 35 -7.329 0.155 2.176 1.00 0.00 C ATOM 592 CG GLU A 35 -6.856 -0.244 3.567 1.00 0.00 C ATOM 593 CD GLU A 35 -7.945 -0.902 4.391 1.00 0.00 C ATOM 594 OE1 GLU A 35 -8.405 -1.998 4.002 1.00 0.00 O ATOM 595 OE2 GLU A 35 -8.337 -0.323 5.426 1.00 0.00 O ATOM 0 H GLU A 35 -5.760 -2.347 1.506 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.869 -0.084 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.320 1.242 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.363 -0.166 2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.012 -0.928 3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.495 0.641 4.091 1.00 0.00 H new ATOM 602 N ILE A 36 -4.723 1.187 0.594 1.00 0.00 N ATOM 603 CA ILE A 36 -3.374 1.745 0.665 1.00 0.00 C ATOM 604 C ILE A 36 -3.385 3.257 0.439 1.00 0.00 C ATOM 605 O ILE A 36 -4.011 3.754 -0.497 1.00 0.00 O ATOM 606 CB ILE A 36 -2.418 1.079 -0.353 1.00 0.00 C ATOM 607 CG1 ILE A 36 -1.027 1.718 -0.280 1.00 0.00 C ATOM 608 CG2 ILE A 36 -2.976 1.174 -1.768 1.00 0.00 C ATOM 609 CD1 ILE A 36 -0.001 1.046 -1.165 1.00 0.00 C ATOM 0 H ILE A 36 -5.385 1.750 0.060 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.007 1.537 1.670 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.329 0.024 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.104 2.768 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.678 1.690 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.285 0.699 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.941 0.670 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.101 2.222 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.958 1.553 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.106 0.002 -0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.327 1.098 -2.204 1.00 0.00 H new ATOM 621 N VAL A 37 -2.682 3.976 1.313 1.00 0.00 N ATOM 622 CA VAL A 37 -2.594 5.431 1.229 1.00 0.00 C ATOM 623 C VAL A 37 -1.141 5.897 1.314 1.00 0.00 C ATOM 624 O VAL A 37 -0.281 5.170 1.813 1.00 0.00 O ATOM 625 CB VAL A 37 -3.411 6.111 2.350 1.00 0.00 C ATOM 626 CG1 VAL A 37 -4.887 5.762 2.220 1.00 0.00 C ATOM 627 CG2 VAL A 37 -2.887 5.717 3.727 1.00 0.00 C ATOM 0 H VAL A 37 -2.163 3.570 2.091 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.010 5.720 0.264 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.298 7.190 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.448 6.249 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.258 6.104 1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.013 4.682 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.480 6.210 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.960 4.636 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.845 6.023 3.821 1.00 0.00 H new ATOM 637 N LEU A 38 -0.871 7.111 0.831 1.00 0.00 N ATOM 638 CA LEU A 38 0.483 7.665 0.861 1.00 0.00 C ATOM 639 C LEU A 38 0.476 9.175 0.614 1.00 0.00 C ATOM 640 O LEU A 38 -0.338 9.684 -0.159 1.00 0.00 O ATOM 641 CB LEU A 38 1.367 6.970 -0.178 1.00 0.00 C ATOM 642 CG LEU A 38 2.793 7.520 -0.297 1.00 0.00 C ATOM 643 CD1 LEU A 38 3.813 6.442 0.042 1.00 0.00 C ATOM 644 CD2 LEU A 38 3.035 8.071 -1.695 1.00 0.00 C ATOM 0 H LEU A 38 -1.570 7.727 0.416 1.00 0.00 H new ATOM 0 HA LEU A 38 0.891 7.487 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.423 5.910 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.883 7.046 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 38 2.910 8.335 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.819 6.852 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.652 6.097 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.699 5.604 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.052 8.458 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.900 7.276 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.327 8.875 -1.897 1.00 0.00 H new ATOM 656 N LEU A 39 1.394 9.880 1.276 1.00 0.00 N ATOM 657 CA LEU A 39 1.508 11.330 1.136 1.00 0.00 C ATOM 658 C LEU A 39 2.599 11.709 0.135 1.00 0.00 C ATOM 659 O LEU A 39 3.545 10.950 -0.088 1.00 0.00 O ATOM 660 CB LEU A 39 1.810 11.971 2.493 1.00 0.00 C ATOM 661 CG LEU A 39 0.942 13.181 2.850 1.00 0.00 C ATOM 662 CD1 LEU A 39 -0.528 12.789 2.905 1.00 0.00 C ATOM 663 CD2 LEU A 39 1.390 13.780 4.178 1.00 0.00 C ATOM 0 H LEU A 39 2.072 9.467 1.917 1.00 0.00 H new ATOM 0 HA LEU A 39 0.555 11.703 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.688 11.215 3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.856 12.277 2.507 1.00 0.00 H new ATOM 0 HG LEU A 39 1.063 13.936 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.128 13.662 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.839 12.406 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.671 12.017 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.764 14.639 4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.297 13.031 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.430 14.098 4.101 1.00 0.00 H new ATOM 675 N ASP A 40 2.462 12.899 -0.452 1.00 0.00 N ATOM 676 CA ASP A 40 3.433 13.404 -1.425 1.00 0.00 C ATOM 677 C ASP A 40 3.168 14.874 -1.750 1.00 0.00 C ATOM 678 O ASP A 40 4.092 15.690 -1.776 1.00 0.00 O ATOM 679 CB ASP A 40 3.387 12.573 -2.710 1.00 0.00 C ATOM 680 CG ASP A 40 4.765 12.124 -3.156 1.00 0.00 C ATOM 681 OD1 ASP A 40 5.486 12.939 -3.768 1.00 0.00 O ATOM 682 OD2 ASP A 40 5.127 10.961 -2.884 1.00 0.00 O ATOM 0 H ASP A 40 1.685 13.534 -0.270 1.00 0.00 H new ATOM 0 HA ASP A 40 4.425 13.319 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.756 11.698 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.924 13.160 -3.503 1.00 0.00 H new ATOM 687 N ASP A 41 1.897 15.198 -1.996 1.00 0.00 N ATOM 688 CA ASP A 41 1.490 16.566 -2.323 1.00 0.00 C ATOM 689 C ASP A 41 1.409 17.465 -1.080 1.00 0.00 C ATOM 690 O ASP A 41 1.040 18.636 -1.188 1.00 0.00 O ATOM 691 CB ASP A 41 0.133 16.555 -3.038 1.00 0.00 C ATOM 692 CG ASP A 41 -0.954 15.874 -2.226 1.00 0.00 C ATOM 693 OD1 ASP A 41 -1.451 16.489 -1.260 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.302 14.719 -2.552 1.00 0.00 O ATOM 0 H ASP A 41 1.128 14.528 -1.975 1.00 0.00 H new ATOM 0 HA ASP A 41 2.255 16.979 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.168 17.580 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.237 16.047 -3.997 1.00 0.00 H new ATOM 699 N GLU A 42 1.759 16.927 0.093 1.00 0.00 N ATOM 700 CA GLU A 42 1.722 17.706 1.328 1.00 0.00 C ATOM 701 C GLU A 42 2.985 18.552 1.473 1.00 0.00 C ATOM 702 O GLU A 42 2.959 19.612 2.101 1.00 0.00 O ATOM 703 CB GLU A 42 1.565 16.790 2.547 1.00 0.00 C ATOM 704 CG GLU A 42 0.122 16.605 2.986 1.00 0.00 C ATOM 705 CD GLU A 42 -0.532 17.906 3.413 1.00 0.00 C ATOM 706 OE1 GLU A 42 -0.341 18.313 4.580 1.00 0.00 O ATOM 707 OE2 GLU A 42 -1.229 18.522 2.580 1.00 0.00 O ATOM 0 H GLU A 42 2.069 15.962 0.210 1.00 0.00 H new ATOM 0 HA GLU A 42 0.859 18.370 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.994 15.815 2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.139 17.202 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.449 16.168 2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.086 15.897 3.814 1.00 0.00 H new ATOM 714 N GLY A 43 4.089 18.083 0.885 1.00 0.00 N ATOM 715 CA GLY A 43 5.335 18.815 0.956 1.00 0.00 C ATOM 716 C GLY A 43 5.941 19.046 -0.413 1.00 0.00 C ATOM 717 O GLY A 43 6.151 20.190 -0.818 1.00 0.00 O ATOM 0 H GLY A 43 4.136 17.208 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.163 19.775 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.043 18.265 1.577 1.00 0.00 H new ATOM 721 N LYS A 44 6.220 17.957 -1.125 1.00 0.00 N ATOM 722 CA LYS A 44 6.802 18.040 -2.459 1.00 0.00 C ATOM 723 C LYS A 44 6.433 16.822 -3.307 1.00 0.00 C ATOM 724 O LYS A 44 6.768 15.686 -2.960 1.00 0.00 O ATOM 725 CB LYS A 44 8.324 18.176 -2.372 1.00 0.00 C ATOM 726 CG LYS A 44 8.997 17.116 -1.512 1.00 0.00 C ATOM 727 CD LYS A 44 10.224 16.534 -2.203 1.00 0.00 C ATOM 728 CE LYS A 44 11.442 17.431 -2.038 1.00 0.00 C ATOM 729 NZ LYS A 44 11.519 18.475 -3.098 1.00 0.00 N ATOM 0 H LYS A 44 6.051 17.006 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 44 6.392 18.926 -2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.740 18.129 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.567 19.160 -1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.289 17.552 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.287 16.318 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.440 15.548 -1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.014 16.398 -3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.408 17.911 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.346 16.822 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.382 19.041 -2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.543 18.020 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.686 19.094 -3.036 1.00 0.00 H new ATOM 743 N GLU A 45 5.750 17.070 -4.425 1.00 0.00 N ATOM 744 CA GLU A 45 5.338 16.000 -5.331 1.00 0.00 C ATOM 745 C GLU A 45 6.272 15.920 -6.547 1.00 0.00 C ATOM 746 O GLU A 45 5.853 15.531 -7.641 1.00 0.00 O ATOM 747 CB GLU A 45 3.889 16.215 -5.787 1.00 0.00 C ATOM 748 CG GLU A 45 3.668 17.511 -6.554 1.00 0.00 C ATOM 749 CD GLU A 45 2.301 17.572 -7.210 1.00 0.00 C ATOM 750 OE1 GLU A 45 2.097 16.876 -8.226 1.00 0.00 O ATOM 751 OE2 GLU A 45 1.434 18.317 -6.705 1.00 0.00 O ATOM 0 H GLU A 45 5.471 18.004 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 45 5.400 15.055 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.588 15.377 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.239 16.207 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.779 18.355 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.439 17.613 -7.318 1.00 0.00 H new ATOM 758 N ILE A 46 7.541 16.288 -6.348 1.00 0.00 N ATOM 759 CA ILE A 46 8.532 16.261 -7.420 1.00 0.00 C ATOM 760 C ILE A 46 9.401 15.004 -7.338 1.00 0.00 C ATOM 761 O ILE A 46 9.868 14.637 -6.258 1.00 0.00 O ATOM 762 CB ILE A 46 9.449 17.504 -7.367 1.00 0.00 C ATOM 763 CG1 ILE A 46 8.616 18.789 -7.279 1.00 0.00 C ATOM 764 CG2 ILE A 46 10.365 17.543 -8.582 1.00 0.00 C ATOM 765 CD1 ILE A 46 8.489 19.333 -5.871 1.00 0.00 C ATOM 0 H ILE A 46 7.904 16.609 -5.450 1.00 0.00 H new ATOM 0 HA ILE A 46 7.980 16.259 -8.360 1.00 0.00 H new ATOM 0 HB ILE A 46 10.067 17.436 -6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.069 19.550 -7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.620 18.594 -7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.004 18.425 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.985 16.647 -8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.763 17.586 -9.490 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.887 20.242 -5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.008 18.589 -5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.480 19.560 -5.478 1.00 0.00 H new ATOM 777 N PRO A 47 9.629 14.323 -8.485 1.00 0.00 N ATOM 778 CA PRO A 47 10.448 13.102 -8.534 1.00 0.00 C ATOM 779 C PRO A 47 11.918 13.361 -8.197 1.00 0.00 C ATOM 780 O PRO A 47 12.524 12.612 -7.428 1.00 0.00 O ATOM 781 CB PRO A 47 10.302 12.626 -9.984 1.00 0.00 C ATOM 782 CG PRO A 47 9.914 13.839 -10.757 1.00 0.00 C ATOM 783 CD PRO A 47 9.107 14.690 -9.816 1.00 0.00 C ATOM 0 HA PRO A 47 10.119 12.369 -7.797 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.236 12.204 -10.356 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.545 11.847 -10.068 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.795 14.375 -11.110 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.331 13.570 -11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.241 15.752 -10.021 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.041 14.481 -9.900 1.00 0.00 H new ATOM 791 N ALA A 48 12.484 14.427 -8.774 1.00 0.00 N ATOM 792 CA ALA A 48 13.880 14.800 -8.540 1.00 0.00 C ATOM 793 C ALA A 48 14.849 13.762 -9.111 1.00 0.00 C ATOM 794 O ALA A 48 15.458 13.991 -10.156 1.00 0.00 O ATOM 795 CB ALA A 48 14.133 15.021 -7.052 1.00 0.00 C ATOM 0 H ALA A 48 11.989 15.051 -9.412 1.00 0.00 H new ATOM 0 HA ALA A 48 14.064 15.737 -9.066 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.176 15.297 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.488 15.821 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.916 14.103 -6.506 1.00 0.00 H new ATOM 801 N THR A 49 14.992 12.627 -8.422 1.00 0.00 N ATOM 802 CA THR A 49 15.892 11.564 -8.870 1.00 0.00 C ATOM 803 C THR A 49 15.107 10.406 -9.487 1.00 0.00 C ATOM 804 O THR A 49 15.163 10.186 -10.698 1.00 0.00 O ATOM 805 CB THR A 49 16.754 11.064 -7.704 1.00 0.00 C ATOM 806 OG1 THR A 49 17.495 12.129 -7.136 1.00 0.00 O ATOM 807 CG2 THR A 49 17.738 9.982 -8.102 1.00 0.00 C ATOM 0 H THR A 49 14.497 12.422 -7.554 1.00 0.00 H new ATOM 0 HA THR A 49 16.547 11.977 -9.637 1.00 0.00 H new ATOM 0 HB THR A 49 16.049 10.644 -6.986 1.00 0.00 H new ATOM 0 HG1 THR A 49 18.037 11.791 -6.393 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.314 9.675 -7.229 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.195 9.124 -8.498 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.414 10.368 -8.866 1.00 0.00 H new ATOM 815 N ILE A 50 14.371 9.670 -8.653 1.00 0.00 N ATOM 816 CA ILE A 50 13.575 8.543 -9.133 1.00 0.00 C ATOM 817 C ILE A 50 12.101 8.724 -8.765 1.00 0.00 C ATOM 818 O ILE A 50 11.308 9.177 -9.591 1.00 0.00 O ATOM 819 CB ILE A 50 14.088 7.190 -8.579 1.00 0.00 C ATOM 820 CG1 ILE A 50 15.572 6.997 -8.911 1.00 0.00 C ATOM 821 CG2 ILE A 50 13.265 6.038 -9.142 1.00 0.00 C ATOM 822 CD1 ILE A 50 16.462 6.919 -7.689 1.00 0.00 C ATOM 0 H ILE A 50 14.310 9.834 -7.648 1.00 0.00 H new ATOM 0 HA ILE A 50 13.677 8.524 -10.218 1.00 0.00 H new ATOM 0 HB ILE A 50 13.977 7.200 -7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.689 6.084 -9.494 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.905 7.822 -9.540 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.638 5.095 -8.743 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.220 6.164 -8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.347 6.030 -10.229 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.497 6.782 -8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.375 7.842 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 50 16.156 6.077 -7.069 1.00 0.00 H new ATOM 834 N PHE A 51 11.744 8.377 -7.523 1.00 0.00 N ATOM 835 CA PHE A 51 10.372 8.506 -7.043 1.00 0.00 C ATOM 836 C PHE A 51 9.424 7.618 -7.851 1.00 0.00 C ATOM 837 O PHE A 51 9.036 7.950 -8.973 1.00 0.00 O ATOM 838 CB PHE A 51 9.936 9.979 -7.076 1.00 0.00 C ATOM 839 CG PHE A 51 8.447 10.203 -7.188 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.642 10.177 -6.057 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.855 10.444 -8.418 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.279 10.388 -6.154 1.00 0.00 C ATOM 843 CE2 PHE A 51 6.492 10.653 -8.519 1.00 0.00 C ATOM 844 CZ PHE A 51 5.704 10.627 -7.387 1.00 0.00 C ATOM 0 H PHE A 51 12.394 8.003 -6.832 1.00 0.00 H new ATOM 0 HA PHE A 51 10.329 8.165 -6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.294 10.468 -6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.426 10.468 -7.918 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.086 9.990 -5.090 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.466 10.469 -9.308 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.664 10.366 -5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.044 10.837 -9.484 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.640 10.793 -7.465 1.00 0.00 H new ATOM 854 N ASP A 52 9.064 6.480 -7.264 1.00 0.00 N ATOM 855 CA ASP A 52 8.167 5.527 -7.910 1.00 0.00 C ATOM 856 C ASP A 52 7.666 4.489 -6.910 1.00 0.00 C ATOM 857 O ASP A 52 8.434 3.652 -6.431 1.00 0.00 O ATOM 858 CB ASP A 52 8.876 4.827 -9.074 1.00 0.00 C ATOM 859 CG ASP A 52 7.925 3.998 -9.916 1.00 0.00 C ATOM 860 OD1 ASP A 52 7.001 4.582 -10.520 1.00 0.00 O ATOM 861 OD2 ASP A 52 8.103 2.762 -9.968 1.00 0.00 O ATOM 0 H ASP A 52 9.382 6.195 -6.338 1.00 0.00 H new ATOM 0 HA ASP A 52 7.311 6.080 -8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.358 5.574 -9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.664 4.184 -8.682 1.00 0.00 H new ATOM 866 N LYS A 53 6.376 4.546 -6.599 1.00 0.00 N ATOM 867 CA LYS A 53 5.776 3.610 -5.660 1.00 0.00 C ATOM 868 C LYS A 53 4.727 2.754 -6.366 1.00 0.00 C ATOM 869 O LYS A 53 3.822 3.280 -7.015 1.00 0.00 O ATOM 870 CB LYS A 53 5.149 4.365 -4.485 1.00 0.00 C ATOM 871 CG LYS A 53 6.120 5.287 -3.762 1.00 0.00 C ATOM 872 CD LYS A 53 5.433 6.549 -3.262 1.00 0.00 C ATOM 873 CE LYS A 53 6.238 7.796 -3.598 1.00 0.00 C ATOM 874 NZ LYS A 53 7.455 7.926 -2.746 1.00 0.00 N ATOM 0 H LYS A 53 5.727 5.232 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 53 6.556 2.954 -5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.307 4.953 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.749 3.643 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.566 4.758 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.934 5.558 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.441 6.625 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.294 6.485 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.532 7.765 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.610 8.678 -3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.417 8.823 -2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.495 7.133 -2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.303 7.913 -3.348 1.00 0.00 H new ATOM 888 N VAL A 54 4.862 1.434 -6.250 1.00 0.00 N ATOM 889 CA VAL A 54 3.927 0.512 -6.894 1.00 0.00 C ATOM 890 C VAL A 54 3.263 -0.416 -5.878 1.00 0.00 C ATOM 891 O VAL A 54 3.831 -0.710 -4.823 1.00 0.00 O ATOM 892 CB VAL A 54 4.630 -0.325 -7.987 1.00 0.00 C ATOM 893 CG1 VAL A 54 5.689 -1.236 -7.383 1.00 0.00 C ATOM 894 CG2 VAL A 54 3.617 -1.133 -8.785 1.00 0.00 C ATOM 0 H VAL A 54 5.605 0.980 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 54 3.153 1.121 -7.361 1.00 0.00 H new ATOM 0 HB VAL A 54 5.128 0.365 -8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.167 -1.813 -8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.438 -0.633 -6.870 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.221 -1.916 -6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.135 -1.714 -9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.082 -1.807 -8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.908 -0.457 -9.263 1.00 0.00 H new ATOM 904 N ILE A 55 2.052 -0.868 -6.206 1.00 0.00 N ATOM 905 CA ILE A 55 1.290 -1.755 -5.332 1.00 0.00 C ATOM 906 C ILE A 55 0.752 -2.963 -6.097 1.00 0.00 C ATOM 907 O ILE A 55 0.153 -2.820 -7.164 1.00 0.00 O ATOM 908 CB ILE A 55 0.101 -1.022 -4.671 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.473 0.425 -4.335 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.357 -1.762 -3.421 1.00 0.00 C ATOM 911 CD1 ILE A 55 -0.719 1.355 -4.272 1.00 0.00 C ATOM 0 H ILE A 55 1.577 -0.631 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 55 1.981 -2.090 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.725 -1.004 -5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.991 0.445 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.173 0.795 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.195 -1.230 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.670 -2.771 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.465 -1.815 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.382 2.363 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.225 1.364 -5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.410 1.009 -3.503 1.00 0.00 H new ATOM 923 N TYR A 56 0.964 -4.149 -5.534 1.00 0.00 N ATOM 924 CA TYR A 56 0.498 -5.389 -6.149 1.00 0.00 C ATOM 925 C TYR A 56 -0.337 -6.199 -5.163 1.00 0.00 C ATOM 926 O TYR A 56 -0.056 -6.215 -3.962 1.00 0.00 O ATOM 927 CB TYR A 56 1.679 -6.225 -6.646 1.00 0.00 C ATOM 928 CG TYR A 56 1.676 -6.440 -8.144 1.00 0.00 C ATOM 929 CD1 TYR A 56 0.574 -6.999 -8.783 1.00 0.00 C ATOM 930 CD2 TYR A 56 2.771 -6.080 -8.919 1.00 0.00 C ATOM 931 CE1 TYR A 56 0.565 -7.194 -10.149 1.00 0.00 C ATOM 932 CE2 TYR A 56 2.768 -6.272 -10.288 1.00 0.00 C ATOM 933 CZ TYR A 56 1.663 -6.828 -10.897 1.00 0.00 C ATOM 934 OH TYR A 56 1.656 -7.018 -12.261 1.00 0.00 O ATOM 0 H TYR A 56 1.457 -4.278 -4.650 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.127 -5.126 -7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.609 -5.734 -6.359 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.664 -7.194 -6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.289 -7.285 -8.200 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.638 -5.644 -8.445 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.298 -7.631 -10.629 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.627 -5.988 -10.878 1.00 0.00 H new ATOM 0 HH TYR A 56 2.505 -6.706 -12.639 1.00 0.00 H new ATOM 944 N HIS A 57 -1.366 -6.866 -5.679 1.00 0.00 N ATOM 945 CA HIS A 57 -2.250 -7.674 -4.847 1.00 0.00 C ATOM 946 C HIS A 57 -2.775 -8.882 -5.619 1.00 0.00 C ATOM 947 O HIS A 57 -3.432 -8.732 -6.650 1.00 0.00 O ATOM 948 CB HIS A 57 -3.419 -6.825 -4.325 1.00 0.00 C ATOM 949 CG HIS A 57 -4.191 -6.109 -5.396 1.00 0.00 C ATOM 950 ND1 HIS A 57 -3.776 -5.332 -6.427 1.00 0.00 N flip ATOM 951 CD2 HIS A 57 -5.568 -6.140 -5.477 1.00 0.00 C flip ATOM 952 CE1 HIS A 57 -4.896 -4.916 -7.103 1.00 0.00 C flip ATOM 953 NE2 HIS A 57 -5.964 -5.418 -6.510 1.00 0.00 N flip ATOM 0 H HIS A 57 -1.607 -6.862 -6.670 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.674 -8.038 -3.996 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.102 -7.470 -3.771 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.032 -6.090 -3.620 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.221 -6.672 -4.801 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.903 -4.282 -7.977 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.931 -5.273 -6.800 1.00 0.00 H new ATOM 962 N LEU A 58 -2.470 -10.083 -5.112 1.00 0.00 N ATOM 963 CA LEU A 58 -2.901 -11.329 -5.745 1.00 0.00 C ATOM 964 C LEU A 58 -2.204 -11.519 -7.094 1.00 0.00 C ATOM 965 O LEU A 58 -1.292 -10.767 -7.442 1.00 0.00 O ATOM 966 CB LEU A 58 -4.430 -11.348 -5.918 1.00 0.00 C ATOM 967 CG LEU A 58 -5.237 -11.253 -4.617 1.00 0.00 C ATOM 968 CD1 LEU A 58 -5.270 -9.819 -4.104 1.00 0.00 C ATOM 969 CD2 LEU A 58 -6.652 -11.775 -4.827 1.00 0.00 C ATOM 0 H LEU A 58 -1.924 -10.215 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.619 -12.157 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.716 -10.519 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.710 -12.267 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.746 -11.873 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.848 -9.776 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.253 -9.478 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.733 -9.176 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.210 -11.700 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.148 -11.182 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.612 -12.817 -5.143 1.00 0.00 H new ATOM 981 N HIS A 59 -2.630 -12.533 -7.847 1.00 0.00 N ATOM 982 CA HIS A 59 -2.042 -12.819 -9.154 1.00 0.00 C ATOM 983 C HIS A 59 -2.214 -11.634 -10.107 1.00 0.00 C ATOM 984 O HIS A 59 -3.262 -10.984 -10.111 1.00 0.00 O ATOM 985 CB HIS A 59 -2.690 -14.068 -9.762 1.00 0.00 C ATOM 986 CG HIS A 59 -1.735 -14.945 -10.511 1.00 0.00 C ATOM 987 ND1 HIS A 59 -1.467 -15.034 -11.836 1.00 0.00 N flip ATOM 988 CD2 HIS A 59 -0.930 -15.881 -9.896 1.00 0.00 C flip ATOM 989 CE1 HIS A 59 -0.516 -16.010 -11.993 1.00 0.00 C flip ATOM 990 NE2 HIS A 59 -0.209 -16.506 -10.809 1.00 0.00 N flip ATOM 0 H HIS A 59 -3.379 -13.169 -7.574 1.00 0.00 H new ATOM 0 HA HIS A 59 -0.976 -12.995 -9.012 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.153 -14.650 -8.965 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.489 -13.759 -10.436 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.895 -16.073 -8.834 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.087 -16.322 -12.934 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.470 -17.246 -10.630 1.00 0.00 H new ATOM 999 N PRO A 60 -1.186 -11.338 -10.936 1.00 0.00 N ATOM 1000 CA PRO A 60 -1.232 -10.225 -11.900 1.00 0.00 C ATOM 1001 C PRO A 60 -2.421 -10.312 -12.860 1.00 0.00 C ATOM 1002 O PRO A 60 -2.762 -9.329 -13.520 1.00 0.00 O ATOM 1003 CB PRO A 60 0.076 -10.363 -12.677 1.00 0.00 C ATOM 1004 CG PRO A 60 0.983 -11.113 -11.767 1.00 0.00 C ATOM 1005 CD PRO A 60 0.102 -12.057 -10.996 1.00 0.00 C ATOM 0 HA PRO A 60 -1.349 -9.269 -11.390 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -0.075 -10.899 -13.614 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.490 -9.387 -12.931 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.740 -11.658 -12.331 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.511 -10.436 -11.096 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.004 -13.019 -11.499 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.499 -12.257 -10.001 1.00 0.00 H new ATOM 1013 N THR A 61 -3.058 -11.487 -12.924 1.00 0.00 N ATOM 1014 CA THR A 61 -4.220 -11.696 -13.791 1.00 0.00 C ATOM 1015 C THR A 61 -5.418 -10.833 -13.350 1.00 0.00 C ATOM 1016 O THR A 61 -6.461 -10.832 -14.007 1.00 0.00 O ATOM 1017 CB THR A 61 -4.615 -13.177 -13.793 1.00 0.00 C ATOM 1018 OG1 THR A 61 -4.737 -13.666 -12.468 1.00 0.00 O ATOM 1019 CG2 THR A 61 -3.621 -14.065 -14.516 1.00 0.00 C ATOM 0 H THR A 61 -2.786 -12.308 -12.384 1.00 0.00 H new ATOM 0 HA THR A 61 -3.942 -11.393 -14.800 1.00 0.00 H new ATOM 0 HB THR A 61 -5.567 -13.218 -14.322 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.991 -14.612 -12.491 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.963 -15.099 -14.479 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.538 -13.747 -15.555 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.646 -13.987 -14.034 1.00 0.00 H new ATOM 1027 N PHE A 62 -5.260 -10.102 -12.239 1.00 0.00 N ATOM 1028 CA PHE A 62 -6.319 -9.238 -11.715 1.00 0.00 C ATOM 1029 C PHE A 62 -6.779 -8.220 -12.760 1.00 0.00 C ATOM 1030 O PHE A 62 -6.073 -7.950 -13.732 1.00 0.00 O ATOM 1031 CB PHE A 62 -5.816 -8.508 -10.466 1.00 0.00 C ATOM 1032 CG PHE A 62 -6.810 -8.461 -9.339 1.00 0.00 C ATOM 1033 CD1 PHE A 62 -7.157 -9.613 -8.649 1.00 0.00 C ATOM 1034 CD2 PHE A 62 -7.396 -7.261 -8.965 1.00 0.00 C ATOM 1035 CE1 PHE A 62 -8.065 -9.569 -7.607 1.00 0.00 C ATOM 1036 CE2 PHE A 62 -8.305 -7.210 -7.927 1.00 0.00 C ATOM 1037 CZ PHE A 62 -8.641 -8.365 -7.247 1.00 0.00 C ATOM 0 H PHE A 62 -4.403 -10.094 -11.685 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.173 -9.865 -11.459 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.907 -8.997 -10.114 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.544 -7.488 -10.739 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.712 -10.557 -8.929 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.138 -6.355 -9.493 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.324 -10.473 -7.076 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.753 -6.268 -7.647 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.353 -8.327 -6.435 1.00 0.00 H new ATOM 1047 N ALA A 63 -7.971 -7.657 -12.542 1.00 0.00 N ATOM 1048 CA ALA A 63 -8.541 -6.664 -13.453 1.00 0.00 C ATOM 1049 C ALA A 63 -7.536 -5.558 -13.778 1.00 0.00 C ATOM 1050 O ALA A 63 -7.338 -5.217 -14.944 1.00 0.00 O ATOM 1051 CB ALA A 63 -9.811 -6.069 -12.863 1.00 0.00 C ATOM 0 H ALA A 63 -8.561 -7.874 -11.739 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.789 -7.173 -14.385 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.222 -5.332 -13.553 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.542 -6.861 -12.700 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.580 -5.587 -11.913 1.00 0.00 H new ATOM 1057 N ASN A 64 -6.900 -5.004 -12.744 1.00 0.00 N ATOM 1058 CA ASN A 64 -5.911 -3.942 -12.932 1.00 0.00 C ATOM 1059 C ASN A 64 -5.009 -3.800 -11.705 1.00 0.00 C ATOM 1060 O ASN A 64 -5.465 -3.939 -10.567 1.00 0.00 O ATOM 1061 CB ASN A 64 -6.600 -2.604 -13.234 1.00 0.00 C ATOM 1062 CG ASN A 64 -7.505 -2.143 -12.105 1.00 0.00 C ATOM 1063 OD1 ASN A 64 -7.082 -1.391 -11.225 1.00 0.00 O ATOM 1064 ND2 ASN A 64 -8.757 -2.588 -12.122 1.00 0.00 N ATOM 0 H ASN A 64 -7.052 -5.272 -11.772 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.290 -4.219 -13.784 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.842 -1.843 -13.420 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.186 -2.700 -14.148 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.408 -2.308 -11.388 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.067 -3.209 -12.869 1.00 0.00 H new ATOM 1071 N PRO A 65 -3.709 -3.516 -11.924 1.00 0.00 N ATOM 1072 CA PRO A 65 -2.736 -3.349 -10.838 1.00 0.00 C ATOM 1073 C PRO A 65 -2.910 -2.018 -10.104 1.00 0.00 C ATOM 1074 O PRO A 65 -3.838 -1.259 -10.392 1.00 0.00 O ATOM 1075 CB PRO A 65 -1.392 -3.393 -11.567 1.00 0.00 C ATOM 1076 CG PRO A 65 -1.689 -2.884 -12.935 1.00 0.00 C ATOM 1077 CD PRO A 65 -3.090 -3.335 -13.254 1.00 0.00 C ATOM 0 HA PRO A 65 -2.843 -4.111 -10.066 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.649 -2.773 -11.066 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.992 -4.406 -11.599 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.612 -1.797 -12.972 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.978 -3.279 -13.661 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.625 -2.593 -13.847 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.092 -4.263 -13.827 1.00 0.00 H new ATOM 1085 N ASN A 66 -2.015 -1.738 -9.155 1.00 0.00 N ATOM 1086 CA ASN A 66 -2.077 -0.497 -8.382 1.00 0.00 C ATOM 1087 C ASN A 66 -0.733 0.233 -8.401 1.00 0.00 C ATOM 1088 O ASN A 66 0.328 -0.396 -8.418 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.496 -0.795 -6.939 1.00 0.00 C ATOM 1090 CG ASN A 66 -4.003 -0.881 -6.774 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -4.673 -1.648 -7.468 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.546 -0.095 -5.848 1.00 0.00 N ATOM 0 H ASN A 66 -1.240 -2.352 -8.904 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.821 0.153 -8.843 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.045 -1.735 -6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.106 -0.016 -6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.554 -0.113 -5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.955 0.525 -5.295 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.787 1.565 -8.399 1.00 0.00 N ATOM 1100 CA ARG A 67 0.422 2.390 -8.418 1.00 0.00 C ATOM 1101 C ARG A 67 0.253 3.623 -7.531 1.00 0.00 C ATOM 1102 O ARG A 67 -0.865 4.098 -7.321 1.00 0.00 O ATOM 1103 CB ARG A 67 0.749 2.829 -9.851 1.00 0.00 C ATOM 1104 CG ARG A 67 0.971 1.674 -10.816 1.00 0.00 C ATOM 1105 CD ARG A 67 2.440 1.290 -10.903 1.00 0.00 C ATOM 1106 NE ARG A 67 3.058 1.767 -12.139 1.00 0.00 N ATOM 1107 CZ ARG A 67 2.834 1.232 -13.342 1.00 0.00 C ATOM 1108 NH1 ARG A 67 1.996 0.208 -13.480 1.00 0.00 N ATOM 1109 NH2 ARG A 67 3.444 1.727 -14.412 1.00 0.00 N ATOM 0 H ARG A 67 -1.657 2.097 -8.384 1.00 0.00 H new ATOM 0 HA ARG A 67 1.244 1.788 -8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.065 3.450 -10.225 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.643 3.452 -9.834 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.388 0.812 -10.492 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.608 1.951 -11.806 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.974 1.703 -10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.535 0.206 -10.845 1.00 0.00 H new ATOM 0 HE ARG A 67 3.700 2.557 -12.079 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.519 -0.174 -12.663 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.830 -0.195 -14.402 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.084 2.516 -14.315 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.273 1.319 -15.331 1.00 0.00 H new ATOM 1123 N THR A 68 1.370 4.141 -7.022 1.00 0.00 N ATOM 1124 CA THR A 68 1.349 5.321 -6.164 1.00 0.00 C ATOM 1125 C THR A 68 2.369 6.353 -6.635 1.00 0.00 C ATOM 1126 O THR A 68 3.572 6.086 -6.669 1.00 0.00 O ATOM 1127 CB THR A 68 1.631 4.944 -4.708 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.939 3.765 -4.339 1.00 0.00 O ATOM 1129 CG2 THR A 68 1.242 6.032 -3.733 1.00 0.00 C ATOM 0 H THR A 68 2.301 3.760 -7.190 1.00 0.00 H new ATOM 0 HA THR A 68 0.352 5.756 -6.227 1.00 0.00 H new ATOM 0 HB THR A 68 2.709 4.789 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.334 2.996 -4.801 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.465 5.707 -2.717 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.805 6.939 -3.956 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.175 6.236 -3.822 1.00 0.00 H new ATOM 1137 N PHE A 69 1.875 7.534 -6.996 1.00 0.00 N ATOM 1138 CA PHE A 69 2.730 8.621 -7.464 1.00 0.00 C ATOM 1139 C PHE A 69 1.974 9.952 -7.433 1.00 0.00 C ATOM 1140 O PHE A 69 2.473 10.945 -6.901 1.00 0.00 O ATOM 1141 CB PHE A 69 3.263 8.330 -8.877 1.00 0.00 C ATOM 1142 CG PHE A 69 2.197 8.048 -9.906 1.00 0.00 C ATOM 1143 CD1 PHE A 69 1.418 6.902 -9.826 1.00 0.00 C ATOM 1144 CD2 PHE A 69 1.977 8.928 -10.954 1.00 0.00 C ATOM 1145 CE1 PHE A 69 0.441 6.644 -10.769 1.00 0.00 C ATOM 1146 CE2 PHE A 69 1.001 8.673 -11.900 1.00 0.00 C ATOM 1147 CZ PHE A 69 0.233 7.530 -11.807 1.00 0.00 C ATOM 0 H PHE A 69 0.881 7.763 -6.973 1.00 0.00 H new ATOM 0 HA PHE A 69 3.584 8.696 -6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.854 9.183 -9.210 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.937 7.475 -8.828 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.577 6.204 -9.018 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.575 9.824 -11.033 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.160 5.750 -10.694 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.840 9.368 -12.711 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.529 7.329 -12.545 1.00 0.00 H new ATOM 1157 N THR A 70 0.765 9.958 -7.995 1.00 0.00 N ATOM 1158 CA THR A 70 -0.073 11.158 -8.024 1.00 0.00 C ATOM 1159 C THR A 70 -1.560 10.779 -8.061 1.00 0.00 C ATOM 1160 O THR A 70 -2.380 11.489 -8.650 1.00 0.00 O ATOM 1161 CB THR A 70 0.296 12.031 -9.232 1.00 0.00 C ATOM 1162 OG1 THR A 70 -0.361 13.288 -9.168 1.00 0.00 O ATOM 1163 CG2 THR A 70 -0.047 11.398 -10.566 1.00 0.00 C ATOM 0 H THR A 70 0.342 9.142 -8.438 1.00 0.00 H new ATOM 0 HA THR A 70 0.106 11.731 -7.114 1.00 0.00 H new ATOM 0 HB THR A 70 1.378 12.148 -9.176 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.313 13.150 -8.982 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.242 12.071 -11.373 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.490 10.455 -10.670 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.120 11.212 -10.615 1.00 0.00 H new ATOM 1171 N ASP A 71 -1.898 9.655 -7.427 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.276 9.172 -7.383 1.00 0.00 C ATOM 1173 C ASP A 71 -3.834 9.228 -5.961 1.00 0.00 C ATOM 1174 O ASP A 71 -3.076 9.320 -4.992 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.342 7.735 -7.914 1.00 0.00 C ATOM 1176 CG ASP A 71 -4.020 7.639 -9.267 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -3.581 8.342 -10.203 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -4.988 6.860 -9.392 1.00 0.00 O ATOM 0 H ASP A 71 -1.231 9.060 -6.935 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.885 9.820 -8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.331 7.334 -7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.879 7.112 -7.199 1.00 0.00 H new ATOM 1183 N PRO A 72 -5.174 9.177 -5.817 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.835 9.223 -4.506 1.00 0.00 C ATOM 1185 C PRO A 72 -5.655 7.928 -3.709 1.00 0.00 C ATOM 1186 O PRO A 72 -5.230 6.907 -4.254 1.00 0.00 O ATOM 1187 CB PRO A 72 -7.310 9.428 -4.863 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.456 8.839 -6.223 1.00 0.00 C ATOM 1189 CD PRO A 72 -6.146 9.072 -6.923 1.00 0.00 C ATOM 0 HA PRO A 72 -5.419 10.004 -3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.964 8.933 -4.145 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.575 10.485 -4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.682 7.774 -6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.276 9.309 -6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.900 8.251 -7.596 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.169 9.981 -7.524 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.980 7.954 -2.399 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.855 6.780 -1.522 1.00 0.00 C ATOM 1199 C PRO A 73 -6.888 5.696 -1.838 1.00 0.00 C ATOM 1200 O PRO A 73 -8.055 5.997 -2.091 1.00 0.00 O ATOM 1201 CB PRO A 73 -6.095 7.355 -0.124 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.927 8.571 -0.348 1.00 0.00 C ATOM 1203 CD PRO A 73 -6.493 9.134 -1.674 1.00 0.00 C ATOM 0 HA PRO A 73 -4.889 6.289 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.608 6.637 0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.155 7.605 0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.988 8.321 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.779 9.297 0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.324 9.600 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.724 9.897 -1.554 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.450 4.438 -1.815 1.00 0.00 N ATOM 1212 CA PHE A 74 -7.334 3.307 -2.096 1.00 0.00 C ATOM 1213 C PHE A 74 -7.930 2.739 -0.807 1.00 0.00 C ATOM 1214 O PHE A 74 -7.299 2.779 0.249 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.576 2.208 -2.846 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.041 2.648 -4.182 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -6.895 2.845 -5.257 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -4.684 2.862 -4.363 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -6.406 3.249 -6.483 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -4.188 3.265 -5.590 1.00 0.00 C ATOM 1221 CZ PHE A 74 -5.050 3.459 -6.650 1.00 0.00 C ATOM 0 H PHE A 74 -5.487 4.176 -1.604 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.149 3.670 -2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.747 1.864 -2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.240 1.356 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.955 2.680 -5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.005 2.712 -3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.082 3.401 -7.311 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.128 3.427 -5.718 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.666 3.774 -7.609 1.00 0.00 H new ATOM 1231 N ARG A 75 -9.151 2.212 -0.908 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.847 1.636 0.243 1.00 0.00 C ATOM 1233 C ARG A 75 -11.130 0.927 -0.199 1.00 0.00 C ATOM 1234 O ARG A 75 -12.215 1.508 -0.162 1.00 0.00 O ATOM 1235 CB ARG A 75 -10.178 2.731 1.264 1.00 0.00 C ATOM 1236 CG ARG A 75 -9.993 2.303 2.713 1.00 0.00 C ATOM 1237 CD ARG A 75 -10.947 1.178 3.089 1.00 0.00 C ATOM 1238 NE ARG A 75 -11.438 1.306 4.460 1.00 0.00 N ATOM 1239 CZ ARG A 75 -12.452 0.596 4.959 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -13.090 -0.296 4.205 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -12.828 0.774 6.219 1.00 0.00 N ATOM 0 H ARG A 75 -9.680 2.172 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.189 0.902 0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.547 3.598 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.210 3.049 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -8.965 1.977 2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.159 3.157 3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.792 1.175 2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.440 0.220 2.974 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.978 1.979 5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.805 -0.442 3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.864 -0.834 4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.342 1.453 6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.603 0.232 6.601 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.998 -0.331 -0.627 1.00 0.00 N ATOM 1256 CA ILE A 76 -12.149 -1.109 -1.082 1.00 0.00 C ATOM 1257 C ILE A 76 -12.133 -2.524 -0.503 1.00 0.00 C ATOM 1258 O ILE A 76 -11.101 -3.198 -0.516 1.00 0.00 O ATOM 1259 CB ILE A 76 -12.196 -1.202 -2.624 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -12.061 0.187 -3.256 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -13.488 -1.871 -3.080 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -11.566 0.155 -4.685 1.00 0.00 C ATOM 0 H ILE A 76 -10.109 -0.829 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.036 -0.585 -0.726 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.355 -1.811 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.029 0.686 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.375 0.785 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -13.504 -1.928 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.544 -2.877 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.341 -1.287 -2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.495 1.173 -5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.583 -0.315 -4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -12.263 -0.416 -5.299 1.00 0.00 H new ATOM 1274 N GLU A 77 -13.289 -2.970 -0.008 1.00 0.00 N ATOM 1275 CA GLU A 77 -13.415 -4.308 0.567 1.00 0.00 C ATOM 1276 C GLU A 77 -14.681 -5.003 0.057 1.00 0.00 C ATOM 1277 O GLU A 77 -15.741 -4.384 -0.043 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.422 -4.239 2.096 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.605 -3.479 2.681 1.00 0.00 C ATOM 1280 CD GLU A 77 -14.683 -3.587 4.192 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -14.702 -4.724 4.707 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -14.723 -2.534 4.862 1.00 0.00 O ATOM 0 H GLU A 77 -14.150 -2.424 0.006 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.552 -4.895 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.423 -5.254 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.499 -3.766 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.531 -2.429 2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.528 -3.862 2.246 1.00 0.00 H new ATOM 1289 N GLU A 78 -14.555 -6.289 -0.272 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.681 -7.069 -0.783 1.00 0.00 C ATOM 1291 C GLU A 78 -15.546 -8.546 -0.402 1.00 0.00 C ATOM 1292 O GLU A 78 -14.599 -8.937 0.283 1.00 0.00 O ATOM 1293 CB GLU A 78 -15.760 -6.928 -2.307 1.00 0.00 C ATOM 1294 CG GLU A 78 -17.179 -6.844 -2.847 1.00 0.00 C ATOM 1295 CD GLU A 78 -17.562 -8.055 -3.678 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -16.862 -8.340 -4.672 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -18.561 -8.721 -3.330 1.00 0.00 O ATOM 0 H GLU A 78 -13.683 -6.812 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.596 -6.684 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.214 -6.034 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.257 -7.778 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.875 -6.745 -2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.279 -5.945 -3.455 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.495 -9.366 -0.859 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.478 -10.801 -0.580 1.00 0.00 C ATOM 1306 C GLN A 79 -16.385 -11.600 -1.879 1.00 0.00 C ATOM 1307 O GLN A 79 -17.203 -11.427 -2.784 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.724 -11.219 0.211 1.00 0.00 C ATOM 1309 CG GLN A 79 -19.041 -10.849 -0.457 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.918 -12.059 -0.722 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -19.811 -12.697 -1.769 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -20.787 -12.383 0.228 1.00 0.00 N ATOM 0 H GLN A 79 -17.286 -9.059 -1.425 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.598 -11.016 0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.698 -12.298 0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.687 -10.756 1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -19.581 -10.145 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.837 -10.339 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -20.842 -11.826 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -21.400 -13.189 0.105 1.00 0.00 H new ATOM 1321 N GLY A 80 -15.382 -12.471 -1.964 1.00 0.00 N ATOM 1322 CA GLY A 80 -15.191 -13.285 -3.154 1.00 0.00 C ATOM 1323 C GLY A 80 -14.244 -14.445 -2.920 1.00 0.00 C ATOM 1324 O GLY A 80 -13.980 -14.817 -1.777 1.00 0.00 O ATOM 0 H GLY A 80 -14.695 -12.628 -1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.156 -13.669 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.803 -12.660 -3.959 1.00 0.00 H new ATOM 1328 N TRP A 81 -13.736 -15.024 -4.006 1.00 0.00 N ATOM 1329 CA TRP A 81 -12.814 -16.152 -3.908 1.00 0.00 C ATOM 1330 C TRP A 81 -11.494 -15.842 -4.615 1.00 0.00 C ATOM 1331 O TRP A 81 -11.440 -15.739 -5.842 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.454 -17.423 -4.491 1.00 0.00 C ATOM 1333 CG TRP A 81 -13.864 -17.301 -5.931 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -15.007 -16.732 -6.419 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -13.132 -17.766 -7.073 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -15.028 -16.811 -7.790 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -13.889 -17.444 -8.216 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -11.909 -18.423 -7.240 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -13.463 -17.756 -9.505 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -11.487 -18.733 -8.520 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -12.263 -18.400 -9.637 1.00 0.00 C ATOM 0 H TRP A 81 -13.947 -14.732 -4.960 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.600 -16.325 -2.853 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -12.749 -18.249 -4.394 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -14.330 -17.681 -3.896 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.782 -16.285 -5.814 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.770 -16.456 -8.393 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -11.304 -18.684 -6.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -14.058 -17.499 -10.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -10.544 -19.240 -8.660 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.907 -18.657 -10.624 1.00 0.00 H new ATOM 1352 N GLY A 82 -10.428 -15.690 -3.830 1.00 0.00 N ATOM 1353 CA GLY A 82 -9.125 -15.392 -4.399 1.00 0.00 C ATOM 1354 C GLY A 82 -8.083 -15.056 -3.348 1.00 0.00 C ATOM 1355 O GLY A 82 -8.279 -14.148 -2.539 1.00 0.00 O ATOM 0 H GLY A 82 -10.444 -15.768 -2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.784 -16.249 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.219 -14.555 -5.090 1.00 0.00 H new ATOM 1359 N GLY A 83 -6.969 -15.791 -3.364 1.00 0.00 N ATOM 1360 CA GLY A 83 -5.901 -15.556 -2.409 1.00 0.00 C ATOM 1361 C GLY A 83 -4.527 -15.789 -3.013 1.00 0.00 C ATOM 1362 O GLY A 83 -4.139 -16.933 -3.255 1.00 0.00 O ATOM 0 H GLY A 83 -6.790 -16.547 -4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.965 -14.532 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.034 -16.213 -1.549 1.00 0.00 H new ATOM 1366 N PHE A 84 -3.794 -14.704 -3.264 1.00 0.00 N ATOM 1367 CA PHE A 84 -2.458 -14.797 -3.853 1.00 0.00 C ATOM 1368 C PHE A 84 -1.502 -13.769 -3.235 1.00 0.00 C ATOM 1369 O PHE A 84 -1.931 -12.861 -2.524 1.00 0.00 O ATOM 1370 CB PHE A 84 -2.537 -14.590 -5.368 1.00 0.00 C ATOM 1371 CG PHE A 84 -2.741 -15.861 -6.146 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -1.679 -16.711 -6.411 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -3.999 -16.203 -6.620 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -1.864 -17.875 -7.132 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -4.192 -17.366 -7.339 1.00 0.00 C ATOM 1376 CZ PHE A 84 -3.124 -18.203 -7.596 1.00 0.00 C ATOM 0 H PHE A 84 -4.102 -13.752 -3.069 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.067 -15.792 -3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.355 -13.905 -5.589 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.619 -14.111 -5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.693 -16.460 -6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.838 -15.552 -6.424 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.026 -18.527 -7.332 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.177 -17.621 -7.700 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.273 -19.113 -8.159 1.00 0.00 H new ATOM 1386 N PRO A 85 -0.183 -13.912 -3.493 1.00 0.00 N ATOM 1387 CA PRO A 85 0.849 -13.004 -2.957 1.00 0.00 C ATOM 1388 C PRO A 85 0.627 -11.535 -3.323 1.00 0.00 C ATOM 1389 O PRO A 85 -0.247 -11.204 -4.123 1.00 0.00 O ATOM 1390 CB PRO A 85 2.142 -13.510 -3.603 1.00 0.00 C ATOM 1391 CG PRO A 85 1.867 -14.929 -3.951 1.00 0.00 C ATOM 1392 CD PRO A 85 0.412 -14.981 -4.319 1.00 0.00 C ATOM 0 HA PRO A 85 0.849 -13.019 -1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.395 -12.928 -4.489 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.985 -13.428 -2.917 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.493 -15.257 -4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.082 -15.588 -3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.259 -14.800 -5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.026 -15.954 -4.095 1.00 0.00 H new ATOM 1400 N LEU A 86 1.438 -10.665 -2.720 1.00 0.00 N ATOM 1401 CA LEU A 86 1.365 -9.225 -2.953 1.00 0.00 C ATOM 1402 C LEU A 86 2.770 -8.623 -3.044 1.00 0.00 C ATOM 1403 O LEU A 86 3.753 -9.269 -2.669 1.00 0.00 O ATOM 1404 CB LEU A 86 0.583 -8.546 -1.823 1.00 0.00 C ATOM 1405 CG LEU A 86 -0.876 -8.990 -1.677 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -0.989 -10.150 -0.699 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.747 -7.825 -1.228 1.00 0.00 C ATOM 0 H LEU A 86 2.163 -10.940 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 86 0.849 -9.056 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.099 -8.735 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.603 -7.468 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.230 -9.328 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.033 -10.450 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.399 -10.991 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.616 -9.841 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.780 -8.160 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.392 -7.455 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.693 -7.025 -1.966 1.00 0.00 H new ATOM 1419 N ASP A 87 2.862 -7.387 -3.534 1.00 0.00 N ATOM 1420 CA ASP A 87 4.151 -6.710 -3.666 1.00 0.00 C ATOM 1421 C ASP A 87 3.981 -5.192 -3.646 1.00 0.00 C ATOM 1422 O ASP A 87 3.381 -4.615 -4.551 1.00 0.00 O ATOM 1423 CB ASP A 87 4.850 -7.134 -4.963 1.00 0.00 C ATOM 1424 CG ASP A 87 6.221 -6.501 -5.119 1.00 0.00 C ATOM 1425 OD1 ASP A 87 7.064 -6.673 -4.211 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.451 -5.830 -6.148 1.00 0.00 O ATOM 0 H ASP A 87 2.062 -6.836 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 87 4.767 -7.001 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.951 -8.219 -4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.227 -6.859 -5.814 1.00 0.00 H new ATOM 1431 N ILE A 88 4.517 -4.551 -2.611 1.00 0.00 N ATOM 1432 CA ILE A 88 4.429 -3.098 -2.482 1.00 0.00 C ATOM 1433 C ILE A 88 5.819 -2.486 -2.341 1.00 0.00 C ATOM 1434 O ILE A 88 6.555 -2.811 -1.406 1.00 0.00 O ATOM 1435 CB ILE A 88 3.561 -2.691 -1.270 1.00 0.00 C ATOM 1436 CG1 ILE A 88 2.230 -3.453 -1.283 1.00 0.00 C ATOM 1437 CG2 ILE A 88 3.318 -1.187 -1.271 1.00 0.00 C ATOM 1438 CD1 ILE A 88 2.238 -4.695 -0.419 1.00 0.00 C ATOM 0 H ILE A 88 5.016 -5.013 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 88 3.958 -2.719 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 88 4.097 -2.952 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.436 -2.788 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.992 -3.735 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.705 -0.917 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.273 -0.664 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.802 -0.902 -2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.265 -5.184 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.009 -5.379 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.445 -4.418 0.615 1.00 0.00 H new ATOM 1450 N SER A 89 6.177 -1.602 -3.272 1.00 0.00 N ATOM 1451 CA SER A 89 7.487 -0.952 -3.244 1.00 0.00 C ATOM 1452 C SER A 89 7.346 0.562 -3.140 1.00 0.00 C ATOM 1453 O SER A 89 6.370 1.141 -3.623 1.00 0.00 O ATOM 1454 CB SER A 89 8.313 -1.321 -4.483 1.00 0.00 C ATOM 1455 OG SER A 89 7.548 -2.059 -5.419 1.00 0.00 O ATOM 0 H SER A 89 5.582 -1.321 -4.051 1.00 0.00 H new ATOM 0 HA SER A 89 8.012 -1.312 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.688 -0.413 -4.954 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.182 -1.906 -4.181 1.00 0.00 H new ATOM 0 HG SER A 89 8.103 -2.276 -6.197 1.00 0.00 H new ATOM 1461 N VAL A 90 8.325 1.193 -2.498 1.00 0.00 N ATOM 1462 CA VAL A 90 8.316 2.640 -2.314 1.00 0.00 C ATOM 1463 C VAL A 90 9.653 3.255 -2.711 1.00 0.00 C ATOM 1464 O VAL A 90 10.711 2.783 -2.292 1.00 0.00 O ATOM 1465 CB VAL A 90 8.005 3.016 -0.851 1.00 0.00 C ATOM 1466 CG1 VAL A 90 7.603 4.480 -0.745 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.916 2.115 -0.284 1.00 0.00 C ATOM 0 H VAL A 90 9.136 0.723 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 90 7.533 3.036 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 90 8.910 2.869 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.388 4.724 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.418 5.108 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.714 4.658 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.712 2.397 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.008 2.225 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.248 1.077 -0.318 1.00 0.00 H new ATOM 1477 N PHE A 91 9.591 4.314 -3.517 1.00 0.00 N ATOM 1478 CA PHE A 91 10.786 5.017 -3.975 1.00 0.00 C ATOM 1479 C PHE A 91 10.522 6.522 -4.035 1.00 0.00 C ATOM 1480 O PHE A 91 9.414 6.951 -4.365 1.00 0.00 O ATOM 1481 CB PHE A 91 11.221 4.495 -5.348 1.00 0.00 C ATOM 1482 CG PHE A 91 11.777 3.096 -5.314 1.00 0.00 C ATOM 1483 CD1 PHE A 91 12.937 2.811 -4.612 1.00 0.00 C ATOM 1484 CD2 PHE A 91 11.136 2.064 -5.984 1.00 0.00 C ATOM 1485 CE1 PHE A 91 13.449 1.528 -4.578 1.00 0.00 C ATOM 1486 CE2 PHE A 91 11.641 0.778 -5.953 1.00 0.00 C ATOM 1487 CZ PHE A 91 12.799 0.510 -5.249 1.00 0.00 C ATOM 0 H PHE A 91 8.717 4.706 -3.868 1.00 0.00 H new ATOM 0 HA PHE A 91 11.593 4.832 -3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 91 10.367 4.521 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.974 5.166 -5.760 1.00 0.00 H new ATOM 0 HD1 PHE A 91 13.448 3.603 -4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 91 10.231 2.268 -6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 91 14.355 1.321 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 91 11.131 -0.016 -6.478 1.00 0.00 H new ATOM 0 HZ PHE A 91 13.196 -0.494 -5.223 1.00 0.00 H new ATOM 1497 N LEU A 92 11.538 7.319 -3.707 1.00 0.00 N ATOM 1498 CA LEU A 92 11.410 8.779 -3.716 1.00 0.00 C ATOM 1499 C LEU A 92 12.549 9.434 -4.498 1.00 0.00 C ATOM 1500 O LEU A 92 12.307 10.217 -5.416 1.00 0.00 O ATOM 1501 CB LEU A 92 11.373 9.330 -2.281 1.00 0.00 C ATOM 1502 CG LEU A 92 12.156 8.520 -1.241 1.00 0.00 C ATOM 1503 CD1 LEU A 92 12.835 9.442 -0.237 1.00 0.00 C ATOM 1504 CD2 LEU A 92 11.237 7.538 -0.528 1.00 0.00 C ATOM 0 H LEU A 92 12.460 6.980 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 92 10.471 9.022 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.763 10.348 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.333 9.390 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 92 12.929 7.955 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.385 8.845 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.526 10.103 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.081 10.038 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.809 6.972 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.441 8.085 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.802 6.853 -1.256 1.00 0.00 H new ATOM 1516 N LEU A 93 13.788 9.110 -4.133 1.00 0.00 N ATOM 1517 CA LEU A 93 14.961 9.670 -4.805 1.00 0.00 C ATOM 1518 C LEU A 93 16.252 9.124 -4.194 1.00 0.00 C ATOM 1519 O LEU A 93 17.179 8.746 -4.913 1.00 0.00 O ATOM 1520 CB LEU A 93 14.962 11.202 -4.728 1.00 0.00 C ATOM 1521 CG LEU A 93 14.463 11.801 -3.409 1.00 0.00 C ATOM 1522 CD1 LEU A 93 15.546 12.654 -2.763 1.00 0.00 C ATOM 1523 CD2 LEU A 93 13.203 12.623 -3.645 1.00 0.00 C ATOM 0 H LEU A 93 14.007 8.463 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 93 14.911 9.372 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.978 11.556 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 93 14.344 11.589 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 93 14.222 10.985 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.172 13.070 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 93 16.422 12.038 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 93 15.820 13.465 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.860 13.042 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.421 13.432 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.425 11.984 -4.062 1.00 0.00 H new ATOM 1535 N GLU A 94 16.298 9.082 -2.862 1.00 0.00 N ATOM 1536 CA GLU A 94 17.457 8.581 -2.141 1.00 0.00 C ATOM 1537 C GLU A 94 17.049 7.416 -1.248 1.00 0.00 C ATOM 1538 O GLU A 94 15.904 6.963 -1.292 1.00 0.00 O ATOM 1539 CB GLU A 94 18.094 9.697 -1.307 1.00 0.00 C ATOM 1540 CG GLU A 94 19.615 9.678 -1.325 1.00 0.00 C ATOM 1541 CD GLU A 94 20.195 10.622 -2.359 1.00 0.00 C ATOM 1542 OE1 GLU A 94 20.203 11.846 -2.108 1.00 0.00 O ATOM 1543 OE2 GLU A 94 20.641 10.137 -3.421 1.00 0.00 O ATOM 0 H GLU A 94 15.535 9.393 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 94 18.195 8.230 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.747 10.661 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.750 9.610 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.990 9.950 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.960 8.664 -1.529 1.00 0.00 H new ATOM 1550 N LYS A 95 17.988 6.928 -0.444 1.00 0.00 N ATOM 1551 CA LYS A 95 17.718 5.806 0.446 1.00 0.00 C ATOM 1552 C LYS A 95 17.332 6.285 1.843 1.00 0.00 C ATOM 1553 O LYS A 95 18.096 6.131 2.800 1.00 0.00 O ATOM 1554 CB LYS A 95 18.934 4.888 0.514 1.00 0.00 C ATOM 1555 CG LYS A 95 19.145 4.079 -0.755 1.00 0.00 C ATOM 1556 CD LYS A 95 19.897 4.881 -1.807 1.00 0.00 C ATOM 1557 CE LYS A 95 19.260 4.732 -3.181 1.00 0.00 C ATOM 1558 NZ LYS A 95 20.111 5.317 -4.256 1.00 0.00 N ATOM 0 H LYS A 95 18.940 7.291 -0.391 1.00 0.00 H new ATOM 0 HA LYS A 95 16.873 5.248 0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 95 19.824 5.488 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 95 18.820 4.206 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.701 3.171 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 95 18.180 3.767 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 95 19.911 5.933 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.934 4.548 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 95 19.088 3.676 -3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 95 18.285 5.220 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 19.641 5.195 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 20.254 6.331 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 21.032 4.834 -4.271 1.00 0.00 H new ATOM 1572 N ALA A 96 16.134 6.851 1.956 1.00 0.00 N ATOM 1573 CA ALA A 96 15.631 7.336 3.237 1.00 0.00 C ATOM 1574 C ALA A 96 14.471 6.472 3.719 1.00 0.00 C ATOM 1575 O ALA A 96 14.468 5.996 4.855 1.00 0.00 O ATOM 1576 CB ALA A 96 15.192 8.787 3.121 1.00 0.00 C ATOM 0 H ALA A 96 15.493 6.985 1.174 1.00 0.00 H new ATOM 0 HA ALA A 96 16.438 7.273 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 96 14.820 9.133 4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 96 16.040 9.401 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.401 8.869 2.376 1.00 0.00 H new ATOM 1582 N GLY A 97 13.492 6.268 2.837 1.00 0.00 N ATOM 1583 CA GLY A 97 12.338 5.456 3.173 1.00 0.00 C ATOM 1584 C GLY A 97 11.814 4.671 1.982 1.00 0.00 C ATOM 1585 O GLY A 97 10.609 4.440 1.866 1.00 0.00 O ATOM 0 H GLY A 97 13.481 6.654 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.605 4.764 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.546 6.098 3.558 1.00 0.00 H new ATOM 1589 N GLU A 98 12.721 4.260 1.097 1.00 0.00 N ATOM 1590 CA GLU A 98 12.347 3.497 -0.090 1.00 0.00 C ATOM 1591 C GLU A 98 12.654 2.011 0.101 1.00 0.00 C ATOM 1592 O GLU A 98 13.810 1.589 0.016 1.00 0.00 O ATOM 1593 CB GLU A 98 13.080 4.036 -1.325 1.00 0.00 C ATOM 1594 CG GLU A 98 14.575 4.235 -1.120 1.00 0.00 C ATOM 1595 CD GLU A 98 15.354 4.198 -2.421 1.00 0.00 C ATOM 1596 OE1 GLU A 98 15.142 5.090 -3.268 1.00 0.00 O ATOM 1597 OE2 GLU A 98 16.175 3.273 -2.592 1.00 0.00 O ATOM 0 H GLU A 98 13.721 4.444 1.181 1.00 0.00 H new ATOM 0 HA GLU A 98 11.274 3.609 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.926 3.347 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.633 4.988 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.746 5.192 -0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.953 3.460 -0.453 1.00 0.00 H new ATOM 1604 N ARG A 99 11.615 1.220 0.369 1.00 0.00 N ATOM 1605 CA ARG A 99 11.782 -0.218 0.581 1.00 0.00 C ATOM 1606 C ARG A 99 10.624 -1.013 -0.022 1.00 0.00 C ATOM 1607 O ARG A 99 9.496 -0.522 -0.112 1.00 0.00 O ATOM 1608 CB ARG A 99 11.896 -0.523 2.079 1.00 0.00 C ATOM 1609 CG ARG A 99 12.986 -1.530 2.417 1.00 0.00 C ATOM 1610 CD ARG A 99 13.224 -1.616 3.917 1.00 0.00 C ATOM 1611 NE ARG A 99 12.626 -2.813 4.505 1.00 0.00 N ATOM 1612 CZ ARG A 99 13.183 -4.029 4.460 1.00 0.00 C ATOM 1613 NH1 ARG A 99 14.347 -4.216 3.839 1.00 0.00 N ATOM 1614 NH2 ARG A 99 12.574 -5.060 5.032 1.00 0.00 N ATOM 0 H ARG A 99 10.652 1.549 0.444 1.00 0.00 H new ATOM 0 HA ARG A 99 12.700 -0.522 0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.092 0.405 2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.939 -0.903 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.706 -2.512 2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.912 -1.246 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.296 -1.614 4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.810 -0.731 4.400 1.00 0.00 H new ATOM 0 HE ARG A 99 11.728 -2.715 4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.820 -3.429 3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.765 -5.146 3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.681 -4.926 5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.999 -5.987 4.997 1.00 0.00 H new ATOM 1628 N LYS A 100 10.915 -2.251 -0.424 1.00 0.00 N ATOM 1629 CA LYS A 100 9.909 -3.136 -1.008 1.00 0.00 C ATOM 1630 C LYS A 100 9.483 -4.197 0.005 1.00 0.00 C ATOM 1631 O LYS A 100 10.324 -4.917 0.548 1.00 0.00 O ATOM 1632 CB LYS A 100 10.461 -3.813 -2.268 1.00 0.00 C ATOM 1633 CG LYS A 100 11.224 -2.871 -3.190 1.00 0.00 C ATOM 1634 CD LYS A 100 11.170 -3.340 -4.636 1.00 0.00 C ATOM 1635 CE LYS A 100 12.315 -4.290 -4.959 1.00 0.00 C ATOM 1636 NZ LYS A 100 11.852 -5.481 -5.728 1.00 0.00 N ATOM 0 H LYS A 100 11.845 -2.664 -0.355 1.00 0.00 H new ATOM 0 HA LYS A 100 9.040 -2.537 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 100 11.120 -4.629 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.634 -4.257 -2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.803 -1.868 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.263 -2.806 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.219 -3.839 -4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.213 -2.477 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.075 -3.760 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.787 -4.617 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.662 -6.102 -5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.146 -6.002 -5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.425 -5.171 -6.624 1.00 0.00 H new ATOM 1650 N ILE A 101 8.179 -4.285 0.265 1.00 0.00 N ATOM 1651 CA ILE A 101 7.654 -5.255 1.225 1.00 0.00 C ATOM 1652 C ILE A 101 6.603 -6.170 0.588 1.00 0.00 C ATOM 1653 O ILE A 101 5.522 -5.714 0.207 1.00 0.00 O ATOM 1654 CB ILE A 101 7.026 -4.554 2.452 1.00 0.00 C ATOM 1655 CG1 ILE A 101 7.984 -3.507 3.033 1.00 0.00 C ATOM 1656 CG2 ILE A 101 6.651 -5.579 3.514 1.00 0.00 C ATOM 1657 CD1 ILE A 101 7.321 -2.182 3.335 1.00 0.00 C ATOM 0 H ILE A 101 7.469 -3.699 -0.174 1.00 0.00 H new ATOM 0 HA ILE A 101 8.503 -5.857 1.548 1.00 0.00 H new ATOM 0 HB ILE A 101 6.121 -4.042 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.426 -3.900 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.800 -3.343 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.210 -5.070 4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.930 -6.284 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.544 -6.117 3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.058 -1.491 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.903 -1.767 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.523 -2.332 4.062 1.00 0.00 H new ATOM 1669 N PRO A 102 6.907 -7.479 0.472 1.00 0.00 N ATOM 1670 CA PRO A 102 5.986 -8.461 -0.105 1.00 0.00 C ATOM 1671 C PRO A 102 4.960 -8.951 0.918 1.00 0.00 C ATOM 1672 O PRO A 102 5.230 -8.958 2.123 1.00 0.00 O ATOM 1673 CB PRO A 102 6.923 -9.592 -0.523 1.00 0.00 C ATOM 1674 CG PRO A 102 8.024 -9.552 0.482 1.00 0.00 C ATOM 1675 CD PRO A 102 8.174 -8.109 0.902 1.00 0.00 C ATOM 0 HA PRO A 102 5.392 -8.055 -0.924 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.412 -10.555 -0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 102 7.302 -9.441 -1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.789 -10.182 1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.953 -9.929 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.319 -8.019 1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 102 9.035 -7.641 0.424 1.00 0.00 H new ATOM 1683 N HIS A 103 3.786 -9.352 0.438 1.00 0.00 N ATOM 1684 CA HIS A 103 2.724 -9.830 1.321 1.00 0.00 C ATOM 1685 C HIS A 103 2.052 -11.082 0.758 1.00 0.00 C ATOM 1686 O HIS A 103 2.300 -11.473 -0.381 1.00 0.00 O ATOM 1687 CB HIS A 103 1.686 -8.725 1.534 1.00 0.00 C ATOM 1688 CG HIS A 103 1.786 -8.064 2.873 1.00 0.00 C ATOM 1689 ND1 HIS A 103 0.718 -7.941 3.732 1.00 0.00 N ATOM 1690 CD2 HIS A 103 2.841 -7.499 3.503 1.00 0.00 C ATOM 1691 CE1 HIS A 103 1.111 -7.328 4.835 1.00 0.00 C ATOM 1692 NE2 HIS A 103 2.397 -7.050 4.723 1.00 0.00 N ATOM 0 H HIS A 103 3.546 -9.356 -0.553 1.00 0.00 H new ATOM 0 HA HIS A 103 3.173 -10.094 2.278 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.804 -7.971 0.756 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.688 -9.148 1.420 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -0.229 -8.271 3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.847 -7.416 3.118 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.486 -7.094 5.684 1.00 0.00 H new ATOM 1701 N ASP A 104 1.193 -11.702 1.568 1.00 0.00 N ATOM 1702 CA ASP A 104 0.474 -12.904 1.156 1.00 0.00 C ATOM 1703 C ASP A 104 -1.001 -12.796 1.521 1.00 0.00 C ATOM 1704 O ASP A 104 -1.345 -12.492 2.664 1.00 0.00 O ATOM 1705 CB ASP A 104 1.079 -14.153 1.805 1.00 0.00 C ATOM 1706 CG ASP A 104 2.528 -14.372 1.410 1.00 0.00 C ATOM 1707 OD1 ASP A 104 2.821 -14.376 0.197 1.00 0.00 O ATOM 1708 OD2 ASP A 104 3.369 -14.539 2.317 1.00 0.00 O ATOM 0 H ASP A 104 0.979 -11.389 2.515 1.00 0.00 H new ATOM 0 HA ASP A 104 0.567 -12.994 0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.011 -14.064 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.493 -15.026 1.520 1.00 0.00 H new ATOM 1713 N LEU A 105 -1.870 -13.046 0.545 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.310 -12.977 0.769 1.00 0.00 C ATOM 1715 C LEU A 105 -3.924 -14.372 0.773 1.00 0.00 C ATOM 1716 O LEU A 105 -4.061 -15.001 -0.277 1.00 0.00 O ATOM 1717 CB LEU A 105 -3.983 -12.119 -0.306 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.488 -11.912 -0.122 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -5.754 -10.621 0.632 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.193 -11.905 -1.470 1.00 0.00 C ATOM 0 H LEU A 105 -1.602 -13.298 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.475 -12.517 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.497 -11.143 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.812 -12.581 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.885 -12.740 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.829 -10.487 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.279 -10.667 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.346 -9.781 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.262 -11.757 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.797 -11.096 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.026 -12.857 -1.973 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.292 -14.849 1.960 1.00 0.00 N ATOM 1733 CA ASN A 106 -4.893 -16.170 2.092 1.00 0.00 C ATOM 1734 C ASN A 106 -6.217 -16.100 2.853 1.00 0.00 C ATOM 1735 O ASN A 106 -6.563 -15.067 3.434 1.00 0.00 O ATOM 1736 CB ASN A 106 -3.916 -17.133 2.770 1.00 0.00 C ATOM 1737 CG ASN A 106 -3.660 -18.365 1.921 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -3.747 -19.494 2.404 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -3.336 -18.153 0.648 1.00 0.00 N ATOM 0 H ASN A 106 -4.185 -14.342 2.839 1.00 0.00 H new ATOM 0 HA ASN A 106 -5.110 -16.549 1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.973 -16.620 2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.316 -17.435 3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.148 -18.943 0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.275 -17.200 0.289 1.00 0.00 H new ATOM 1746 N PHE A 107 -6.969 -17.200 2.819 1.00 0.00 N ATOM 1747 CA PHE A 107 -8.275 -17.266 3.474 1.00 0.00 C ATOM 1748 C PHE A 107 -8.193 -17.865 4.882 1.00 0.00 C ATOM 1749 O PHE A 107 -7.190 -18.472 5.255 1.00 0.00 O ATOM 1750 CB PHE A 107 -9.259 -18.078 2.618 1.00 0.00 C ATOM 1751 CG PHE A 107 -8.684 -19.354 2.053 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -8.527 -20.475 2.853 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -8.298 -19.426 0.723 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -7.999 -21.643 2.337 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -7.769 -20.592 0.203 1.00 0.00 C ATOM 1756 CZ PHE A 107 -7.619 -21.702 1.011 1.00 0.00 C ATOM 0 H PHE A 107 -6.695 -18.060 2.343 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.634 -16.242 3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.132 -18.323 3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.607 -17.454 1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.821 -20.435 3.892 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -8.412 -18.561 0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.884 -22.510 2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -7.473 -20.635 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 107 -7.205 -22.614 0.607 1.00 0.00 H new ATOM 1766 N LEU A 108 -9.281 -17.680 5.645 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.399 -18.186 7.018 1.00 0.00 C ATOM 1768 C LEU A 108 -8.765 -17.221 8.024 1.00 0.00 C ATOM 1769 O LEU A 108 -7.809 -17.568 8.720 1.00 0.00 O ATOM 1770 CB LEU A 108 -8.777 -19.582 7.145 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.210 -20.384 8.378 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -10.342 -21.342 8.030 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -8.025 -21.145 8.958 1.00 0.00 C ATOM 0 H LEU A 108 -10.106 -17.173 5.324 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.462 -18.262 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.028 -20.156 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.692 -19.478 7.163 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.576 -19.685 9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.633 -21.900 8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.197 -20.776 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.007 -22.036 7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.348 -21.710 9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.631 -21.831 8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.247 -20.440 9.249 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.324 -16.011 8.095 1.00 0.00 N ATOM 1786 CA GLN A 109 -8.847 -14.973 9.011 1.00 0.00 C ATOM 1787 C GLN A 109 -7.434 -14.513 8.655 1.00 0.00 C ATOM 1788 O GLN A 109 -6.466 -15.260 8.808 1.00 0.00 O ATOM 1789 CB GLN A 109 -8.893 -15.466 10.461 1.00 0.00 C ATOM 1790 CG GLN A 109 -8.633 -14.371 11.487 1.00 0.00 C ATOM 1791 CD GLN A 109 -7.291 -14.522 12.180 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -6.266 -14.730 11.533 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -7.288 -14.415 13.506 1.00 0.00 N ATOM 0 H GLN A 109 -10.117 -15.724 7.521 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.514 -14.117 8.908 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.870 -15.909 10.654 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.154 -16.256 10.591 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.675 -13.400 10.994 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.426 -14.384 12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -8.160 -14.242 14.006 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -6.413 -14.506 14.023 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.329 -13.269 8.189 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.046 -12.690 7.817 1.00 0.00 C ATOM 1804 C GLU A 110 -5.905 -11.281 8.377 1.00 0.00 C ATOM 1805 O GLU A 110 -6.781 -10.435 8.186 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.886 -12.649 6.296 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.469 -12.326 5.840 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.587 -13.556 5.776 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.168 -14.041 6.848 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -3.318 -14.037 4.655 1.00 0.00 O ATOM 0 H GLU A 110 -8.124 -12.643 8.061 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.266 -13.322 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.181 -13.613 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.569 -11.904 5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.505 -11.857 4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.027 -11.601 6.523 1.00 0.00 H new ATOM 1817 N SER A 111 -4.789 -11.044 9.054 1.00 0.00 N ATOM 1818 CA SER A 111 -4.492 -9.741 9.640 1.00 0.00 C ATOM 1819 C SER A 111 -3.112 -9.275 9.186 1.00 0.00 C ATOM 1820 O SER A 111 -2.178 -9.168 9.986 1.00 0.00 O ATOM 1821 CB SER A 111 -4.560 -9.809 11.172 1.00 0.00 C ATOM 1822 OG SER A 111 -3.664 -10.780 11.684 1.00 0.00 O ATOM 0 H SER A 111 -4.066 -11.746 9.213 1.00 0.00 H new ATOM 0 HA SER A 111 -5.238 -9.023 9.300 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.321 -8.832 11.593 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.577 -10.049 11.483 1.00 0.00 H new ATOM 0 HG SER A 111 -2.751 -10.565 11.399 1.00 0.00 H new ATOM 1828 N TYR A 112 -2.991 -9.013 7.886 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.730 -8.575 7.305 1.00 0.00 C ATOM 1830 C TYR A 112 -1.804 -7.106 6.912 1.00 0.00 C ATOM 1831 O TYR A 112 -2.630 -6.714 6.088 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.391 -9.431 6.082 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.632 -10.698 6.412 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -1.092 -11.581 7.383 1.00 0.00 C ATOM 1835 CD2 TYR A 112 0.547 -11.012 5.747 1.00 0.00 C ATOM 1836 CE1 TYR A 112 -0.399 -12.739 7.680 1.00 0.00 C ATOM 1837 CE2 TYR A 112 1.242 -12.169 6.037 1.00 0.00 C ATOM 1838 CZ TYR A 112 0.767 -13.028 7.004 1.00 0.00 C ATOM 1839 OH TYR A 112 1.458 -14.183 7.293 1.00 0.00 O ATOM 0 H TYR A 112 -3.755 -9.098 7.216 1.00 0.00 H new ATOM 0 HA TYR A 112 -0.944 -8.694 8.051 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.315 -9.696 5.569 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.800 -8.835 5.386 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.006 -11.358 7.914 1.00 0.00 H new ATOM 0 HD2 TYR A 112 0.926 -10.340 4.991 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.769 -13.414 8.438 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.155 -12.400 5.508 1.00 0.00 H new ATOM 0 HH TYR A 112 2.256 -14.237 6.727 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.938 -6.299 7.513 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.908 -4.866 7.237 1.00 0.00 C ATOM 1851 C GLU A 113 0.431 -4.246 7.649 1.00 0.00 C ATOM 1852 O GLU A 113 1.111 -4.751 8.544 1.00 0.00 O ATOM 1853 CB GLU A 113 -2.073 -4.185 7.961 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.813 -3.894 9.435 1.00 0.00 C ATOM 1855 CD GLU A 113 -1.623 -2.413 9.728 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -1.066 -1.697 8.869 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -2.031 -1.973 10.821 1.00 0.00 O ATOM 0 H GLU A 113 -0.247 -6.612 8.195 1.00 0.00 H new ATOM 0 HA GLU A 113 -1.015 -4.713 6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.303 -3.248 7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.957 -4.818 7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.648 -4.271 10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.925 -4.438 9.755 1.00 0.00 H new ATOM 1864 N VAL A 114 0.806 -3.151 6.980 1.00 0.00 N ATOM 1865 CA VAL A 114 2.065 -2.463 7.270 1.00 0.00 C ATOM 1866 C VAL A 114 1.900 -0.948 7.231 1.00 0.00 C ATOM 1867 O VAL A 114 1.088 -0.418 6.470 1.00 0.00 O ATOM 1868 CB VAL A 114 3.177 -2.856 6.273 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.516 -2.271 6.699 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.274 -4.365 6.139 1.00 0.00 C ATOM 0 H VAL A 114 0.255 -2.724 6.235 1.00 0.00 H new ATOM 0 HA VAL A 114 2.352 -2.774 8.274 1.00 0.00 H new ATOM 0 HB VAL A 114 2.917 -2.443 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.284 -2.561 5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.444 -1.184 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.780 -2.649 7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.064 -4.617 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.504 -4.803 7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.324 -4.760 5.778 1.00 0.00 H new ATOM 1880 N GLU A 115 2.697 -0.258 8.046 1.00 0.00 N ATOM 1881 CA GLU A 115 2.667 1.199 8.107 1.00 0.00 C ATOM 1882 C GLU A 115 4.086 1.763 8.111 1.00 0.00 C ATOM 1883 O GLU A 115 4.813 1.630 9.099 1.00 0.00 O ATOM 1884 CB GLU A 115 1.910 1.666 9.352 1.00 0.00 C ATOM 1885 CG GLU A 115 0.653 0.858 9.644 1.00 0.00 C ATOM 1886 CD GLU A 115 -0.040 1.289 10.922 1.00 0.00 C ATOM 1887 OE1 GLU A 115 0.595 1.216 11.997 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -1.218 1.700 10.848 1.00 0.00 O ATOM 0 H GLU A 115 3.374 -0.689 8.675 1.00 0.00 H new ATOM 0 HA GLU A 115 2.148 1.569 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.576 1.610 10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 115 1.637 2.714 9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.040 0.959 8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.914 -0.198 9.716 1.00 0.00 H new ATOM 1895 N HIS A 116 4.478 2.387 7.001 1.00 0.00 N ATOM 1896 CA HIS A 116 5.813 2.971 6.874 1.00 0.00 C ATOM 1897 C HIS A 116 5.741 4.492 6.780 1.00 0.00 C ATOM 1898 O HIS A 116 4.798 5.044 6.215 1.00 0.00 O ATOM 1899 CB HIS A 116 6.525 2.407 5.641 1.00 0.00 C ATOM 1900 CG HIS A 116 7.358 1.193 5.923 1.00 0.00 C ATOM 1901 ND1 HIS A 116 7.147 0.362 7.007 1.00 0.00 N ATOM 1902 CD2 HIS A 116 8.412 0.671 5.254 1.00 0.00 C ATOM 1903 CE1 HIS A 116 8.034 -0.615 6.989 1.00 0.00 C ATOM 1904 NE2 HIS A 116 8.812 -0.451 5.935 1.00 0.00 N ATOM 0 H HIS A 116 3.890 2.501 6.176 1.00 0.00 H new ATOM 0 HA HIS A 116 6.380 2.708 7.767 1.00 0.00 H new ATOM 0 HB2 HIS A 116 5.780 2.157 4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.162 3.182 5.215 1.00 0.00 H new ATOM 0 HD2 HIS A 116 8.856 1.064 4.352 1.00 0.00 H new ATOM 0 HE1 HIS A 116 8.110 -1.413 7.713 1.00 0.00 H new ATOM 0 HE2 HIS A 116 9.586 -1.060 5.670 1.00 0.00 H new ATOM 1913 N VAL A 117 6.749 5.163 7.337 1.00 0.00 N ATOM 1914 CA VAL A 117 6.807 6.623 7.321 1.00 0.00 C ATOM 1915 C VAL A 117 8.146 7.117 6.769 1.00 0.00 C ATOM 1916 O VAL A 117 9.210 6.690 7.221 1.00 0.00 O ATOM 1917 CB VAL A 117 6.579 7.210 8.732 1.00 0.00 C ATOM 1918 CG1 VAL A 117 7.659 6.743 9.699 1.00 0.00 C ATOM 1919 CG2 VAL A 117 6.520 8.731 8.678 1.00 0.00 C ATOM 0 H VAL A 117 7.538 4.717 7.806 1.00 0.00 H new ATOM 0 HA VAL A 117 6.007 6.968 6.666 1.00 0.00 H new ATOM 0 HB VAL A 117 5.620 6.844 9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.475 7.171 10.684 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.641 5.655 9.766 1.00 0.00 H new ATOM 0 HG13 VAL A 117 8.635 7.068 9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.359 9.125 9.682 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.459 9.118 8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.699 9.041 8.031 1.00 0.00 H new ATOM 1929 N ILE A 118 8.078 8.019 5.791 1.00 0.00 N ATOM 1930 CA ILE A 118 9.278 8.580 5.173 1.00 0.00 C ATOM 1931 C ILE A 118 9.302 10.101 5.321 1.00 0.00 C ATOM 1932 O ILE A 118 8.496 10.804 4.710 1.00 0.00 O ATOM 1933 CB ILE A 118 9.368 8.215 3.673 1.00 0.00 C ATOM 1934 CG1 ILE A 118 9.092 6.722 3.460 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.735 8.590 3.111 1.00 0.00 C ATOM 1936 CD1 ILE A 118 7.622 6.391 3.319 1.00 0.00 C ATOM 0 H ILE A 118 7.203 8.377 5.409 1.00 0.00 H new ATOM 0 HA ILE A 118 10.135 8.149 5.690 1.00 0.00 H new ATOM 0 HB ILE A 118 8.607 8.784 3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.618 6.388 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.503 6.162 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.779 8.325 2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.893 9.663 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.512 8.050 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.503 5.318 3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.093 6.694 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.210 6.923 2.462 1.00 0.00 H new ATOM 1948 N GLN A 119 10.234 10.600 6.133 1.00 0.00 N ATOM 1949 CA GLN A 119 10.368 12.037 6.363 1.00 0.00 C ATOM 1950 C GLN A 119 11.774 12.508 6.009 1.00 0.00 C ATOM 1951 O GLN A 119 12.759 12.007 6.556 1.00 0.00 O ATOM 1952 CB GLN A 119 10.058 12.373 7.823 1.00 0.00 C ATOM 1953 CG GLN A 119 9.574 13.798 8.030 1.00 0.00 C ATOM 1954 CD GLN A 119 9.800 14.291 9.446 1.00 0.00 C ATOM 1955 OE1 GLN A 119 10.718 15.068 9.705 1.00 0.00 O ATOM 1956 NE2 GLN A 119 8.960 13.839 10.371 1.00 0.00 N ATOM 0 H GLN A 119 10.908 10.029 6.643 1.00 0.00 H new ATOM 0 HA GLN A 119 9.654 12.554 5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 119 9.299 11.683 8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 119 10.954 12.212 8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 119 10.090 14.458 7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.511 13.855 7.795 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.213 13.195 10.111 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.062 14.136 11.342 1.00 0.00 H new ATOM 1965 N ILE A 120 11.863 13.474 5.094 1.00 0.00 N ATOM 1966 CA ILE A 120 13.155 14.010 4.668 1.00 0.00 C ATOM 1967 C ILE A 120 13.047 15.490 4.289 1.00 0.00 C ATOM 1968 O ILE A 120 13.183 15.859 3.122 1.00 0.00 O ATOM 1969 CB ILE A 120 13.736 13.209 3.478 1.00 0.00 C ATOM 1970 CG1 ILE A 120 12.689 13.040 2.371 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.234 11.851 3.951 1.00 0.00 C ATOM 1972 CD1 ILE A 120 13.041 13.765 1.089 1.00 0.00 C ATOM 0 H ILE A 120 11.058 13.900 4.635 1.00 0.00 H new ATOM 0 HA ILE A 120 13.832 13.914 5.517 1.00 0.00 H new ATOM 0 HB ILE A 120 14.577 13.767 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.567 11.978 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 120 11.728 13.405 2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.640 11.297 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.013 11.990 4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 120 13.406 11.292 4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 120 12.256 13.601 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 120 13.134 14.833 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 120 13.987 13.384 0.703 1.00 0.00 H new ATOM 1984 N PRO A 121 12.805 16.364 5.284 1.00 0.00 N ATOM 1985 CA PRO A 121 12.682 17.809 5.056 1.00 0.00 C ATOM 1986 C PRO A 121 14.011 18.451 4.651 1.00 0.00 C ATOM 1987 O PRO A 121 14.049 19.303 3.761 1.00 0.00 O ATOM 1988 CB PRO A 121 12.210 18.348 6.410 1.00 0.00 C ATOM 1989 CG PRO A 121 12.666 17.340 7.408 1.00 0.00 C ATOM 1990 CD PRO A 121 12.637 16.010 6.707 1.00 0.00 C ATOM 0 HA PRO A 121 12.000 18.034 4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 121 12.639 19.329 6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.126 18.463 6.433 1.00 0.00 H new ATOM 0 HG2 PRO A 121 13.670 17.571 7.763 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.013 17.334 8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.437 15.356 7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 121 11.698 15.485 6.881 1.00 0.00 H new ATOM 1998 N LEU A 122 15.098 18.032 5.302 1.00 0.00 N ATOM 1999 CA LEU A 122 16.430 18.558 5.000 1.00 0.00 C ATOM 2000 C LEU A 122 17.340 17.447 4.473 1.00 0.00 C ATOM 2001 O LEU A 122 18.019 17.619 3.459 1.00 0.00 O ATOM 2002 CB LEU A 122 17.054 19.200 6.247 1.00 0.00 C ATOM 2003 CG LEU A 122 17.073 20.734 6.254 1.00 0.00 C ATOM 2004 CD1 LEU A 122 15.776 21.290 6.822 1.00 0.00 C ATOM 2005 CD2 LEU A 122 18.265 21.249 7.050 1.00 0.00 C ATOM 0 H LEU A 122 15.082 17.330 6.042 1.00 0.00 H new ATOM 0 HA LEU A 122 16.326 19.321 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 122 16.507 18.856 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 122 18.078 18.840 6.347 1.00 0.00 H new ATOM 0 HG LEU A 122 17.168 21.076 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 122 15.814 22.379 6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 122 14.938 20.953 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 122 15.646 20.937 7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 122 18.263 22.339 7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 122 18.198 20.891 8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 122 19.188 20.886 6.599 1.00 0.00 H new ATOM 2017 N ASN A 123 17.339 16.310 5.171 1.00 0.00 N ATOM 2018 CA ASN A 123 18.153 15.155 4.789 1.00 0.00 C ATOM 2019 C ASN A 123 19.641 15.438 5.008 1.00 0.00 C ATOM 2020 O ASN A 123 20.287 15.994 4.097 1.00 0.00 O ATOM 2021 CB ASN A 123 17.878 14.763 3.330 1.00 0.00 C ATOM 2022 CG ASN A 123 17.947 13.261 3.108 1.00 0.00 C ATOM 2023 OD1 ASN A 123 16.938 12.566 3.207 1.00 0.00 O ATOM 2024 ND2 ASN A 123 19.138 12.751 2.807 1.00 0.00 N ATOM 0 H ASN A 123 16.779 16.164 6.011 1.00 0.00 H new ATOM 0 HA ASN A 123 17.876 14.316 5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.892 15.125 3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 123 18.602 15.256 2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 123 19.238 11.748 2.649 1.00 0.00 H new ATOM 0 HD22 ASN A 123 19.951 13.363 2.734 1.00 0.00 H new TER 2031 ASN A 123