USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 778 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 72 HIS : no HE2:sc= -1.2 K(o=0.046,f=-5.1) USER MOD Set 1.2: B 116 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 0.854 (180deg=0.717) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -56:sc= -0.824! USER MOD Single : A 20 SER OG : rot 23:sc= 0.0668 USER MOD Single : A 25 CYS SG : rot -53:sc= -7.88! USER MOD Single : A 26 SER OG : rot 180:sc= -1.07 USER MOD Single : A 28 SER OG : rot 180:sc= -0.051 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -140:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.253 X(o=-0.25,f=0.023) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -80:sc= -2.16 USER MOD Single : A 48 SER OG : rot -92:sc= -6.53! USER MOD Single : A 58 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.53) USER MOD Single : A 63 ASN : amide:sc= -11.6! C(o=-12!,f=-13!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.388 K(o=-0.39,f=-3.9!) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.0615 (180deg=-0.389) USER MOD Single : A 77 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.076) USER MOD Single : A 80 LYS NZ :NH3+ -144:sc= -0.508 (180deg=-1.92) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 53:sc= 0.343 USER MOD Single : A 86 THR OG1 : rot -66:sc= 0.313 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -155:sc= -0.124 (180deg=-0.691) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -33:sc= 0.447 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -5.522 -2.829 -15.487 1.00 0.00 N ATOM 2 CA LYS A 9 -5.355 -3.122 -14.037 1.00 0.00 C ATOM 3 C LYS A 9 -4.231 -2.287 -13.429 1.00 0.00 C ATOM 4 O LYS A 9 -4.431 -1.596 -12.432 1.00 0.00 O ATOM 5 CB LYS A 9 -5.059 -4.616 -13.866 1.00 0.00 C ATOM 6 CG LYS A 9 -4.009 -5.151 -14.829 1.00 0.00 C ATOM 7 CD LYS A 9 -4.228 -6.625 -15.127 1.00 0.00 C ATOM 8 CE LYS A 9 -3.319 -7.506 -14.284 1.00 0.00 C ATOM 9 NZ LYS A 9 -1.907 -7.455 -14.751 1.00 0.00 N ATOM 0 HA LYS A 9 -6.275 -2.862 -13.514 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.725 -4.796 -12.844 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.983 -5.177 -14.003 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.042 -4.582 -15.758 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.016 -5.008 -14.403 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.269 -6.885 -14.935 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.042 -6.815 -16.184 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.369 -7.187 -13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.676 -8.535 -14.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.280 -7.805 -13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.799 -8.050 -15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.654 -6.474 -14.984 1.00 0.00 H new ATOM 25 N GLU A 10 -3.049 -2.354 -14.035 1.00 0.00 N ATOM 26 CA GLU A 10 -1.899 -1.601 -13.550 1.00 0.00 C ATOM 27 C GLU A 10 -2.171 -0.101 -13.600 1.00 0.00 C ATOM 28 O GLU A 10 -2.530 0.439 -14.646 1.00 0.00 O ATOM 29 CB GLU A 10 -0.657 -1.933 -14.381 1.00 0.00 C ATOM 30 CG GLU A 10 -0.146 -3.349 -14.170 1.00 0.00 C ATOM 31 CD GLU A 10 0.048 -4.101 -15.473 1.00 0.00 C ATOM 32 OE1 GLU A 10 0.540 -3.487 -16.443 1.00 0.00 O ATOM 33 OE2 GLU A 10 -0.292 -5.302 -15.522 1.00 0.00 O ATOM 0 H GLU A 10 -2.864 -2.922 -14.862 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.721 -1.886 -12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.888 -1.792 -15.437 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.136 -1.228 -14.132 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.801 -3.313 -13.632 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.849 -3.895 -13.541 1.00 0.00 H new ATOM 40 N LYS A 11 -2.001 0.566 -12.463 1.00 0.00 N ATOM 41 CA LYS A 11 -2.232 2.005 -12.380 1.00 0.00 C ATOM 42 C LYS A 11 -0.955 2.745 -11.990 1.00 0.00 C ATOM 43 O LYS A 11 -0.036 2.162 -11.416 1.00 0.00 O ATOM 44 CB LYS A 11 -3.347 2.310 -11.374 1.00 0.00 C ATOM 45 CG LYS A 11 -3.605 3.796 -11.176 1.00 0.00 C ATOM 46 CD LYS A 11 -4.967 4.046 -10.551 1.00 0.00 C ATOM 47 CE LYS A 11 -4.930 3.858 -9.043 1.00 0.00 C ATOM 48 NZ LYS A 11 -6.016 4.618 -8.362 1.00 0.00 N ATOM 0 H LYS A 11 -1.705 0.135 -11.587 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.540 2.353 -13.366 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.267 1.832 -11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.089 1.864 -10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.828 4.220 -10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.545 4.308 -12.136 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.296 5.059 -10.785 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.699 3.365 -10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.025 2.798 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.963 4.184 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.956 4.464 -7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.911 5.632 -8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.940 4.289 -8.708 1.00 0.00 H new ATOM 62 N LYS A 12 -0.908 4.034 -12.307 1.00 0.00 N ATOM 63 CA LYS A 12 0.251 4.860 -11.989 1.00 0.00 C ATOM 64 C LYS A 12 -0.148 6.031 -11.099 1.00 0.00 C ATOM 65 O LYS A 12 -1.213 6.622 -11.278 1.00 0.00 O ATOM 66 CB LYS A 12 0.903 5.376 -13.274 1.00 0.00 C ATOM 67 CG LYS A 12 2.106 4.560 -13.717 1.00 0.00 C ATOM 68 CD LYS A 12 3.167 5.440 -14.361 1.00 0.00 C ATOM 69 CE LYS A 12 4.567 4.911 -14.093 1.00 0.00 C ATOM 70 NZ LYS A 12 5.616 5.871 -14.531 1.00 0.00 N ATOM 0 H LYS A 12 -1.660 4.530 -12.785 1.00 0.00 H new ATOM 0 HA LYS A 12 0.970 4.245 -11.449 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.161 5.377 -14.073 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.212 6.411 -13.125 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.533 4.042 -12.858 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.788 3.794 -14.425 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.996 5.491 -15.436 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.081 6.456 -13.976 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.681 4.709 -13.028 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.703 3.963 -14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.556 5.473 -14.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.523 6.044 -15.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.503 6.768 -14.016 1.00 0.00 H new ATOM 84 N VAL A 13 0.709 6.360 -10.138 1.00 0.00 N ATOM 85 CA VAL A 13 0.438 7.459 -9.222 1.00 0.00 C ATOM 86 C VAL A 13 1.705 8.249 -8.913 1.00 0.00 C ATOM 87 O VAL A 13 2.808 7.704 -8.916 1.00 0.00 O ATOM 88 CB VAL A 13 -0.172 6.954 -7.902 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.627 8.120 -7.041 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.327 6.003 -8.177 1.00 0.00 C ATOM 0 H VAL A 13 1.595 5.882 -9.974 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.279 8.111 -9.720 1.00 0.00 H new ATOM 0 HB VAL A 13 0.597 6.408 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.055 7.742 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.226 8.759 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.379 8.697 -7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.746 5.656 -7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.098 6.522 -8.747 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.966 5.148 -8.749 1.00 0.00 H new ATOM 100 N PHE A 14 1.535 9.539 -8.641 1.00 0.00 N ATOM 101 CA PHE A 14 2.659 10.412 -8.324 1.00 0.00 C ATOM 102 C PHE A 14 2.404 11.169 -7.024 1.00 0.00 C ATOM 103 O PHE A 14 1.431 11.914 -6.911 1.00 0.00 O ATOM 104 CB PHE A 14 2.899 11.404 -9.465 1.00 0.00 C ATOM 105 CG PHE A 14 4.290 11.971 -9.492 1.00 0.00 C ATOM 106 CD1 PHE A 14 4.785 12.680 -8.409 1.00 0.00 C ATOM 107 CD2 PHE A 14 5.101 11.797 -10.602 1.00 0.00 C ATOM 108 CE1 PHE A 14 6.064 13.203 -8.433 1.00 0.00 C ATOM 109 CE2 PHE A 14 6.381 12.319 -10.630 1.00 0.00 C ATOM 110 CZ PHE A 14 6.863 13.023 -9.544 1.00 0.00 C ATOM 0 H PHE A 14 0.627 10.004 -8.634 1.00 0.00 H new ATOM 0 HA PHE A 14 3.547 9.792 -8.198 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.701 10.907 -10.414 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.184 12.223 -9.379 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.165 12.825 -7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.729 11.248 -11.454 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.438 13.753 -7.582 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.004 12.176 -11.501 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.863 13.432 -9.564 1.00 0.00 H new ATOM 120 N ILE A 15 3.281 10.973 -6.045 1.00 0.00 N ATOM 121 CA ILE A 15 3.143 11.637 -4.755 1.00 0.00 C ATOM 122 C ILE A 15 4.229 12.690 -4.561 1.00 0.00 C ATOM 123 O ILE A 15 5.410 12.363 -4.441 1.00 0.00 O ATOM 124 CB ILE A 15 3.204 10.628 -3.593 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.174 9.516 -3.800 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.970 11.332 -2.262 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.743 10.006 -3.768 1.00 0.00 C ATOM 0 H ILE A 15 4.093 10.361 -6.121 1.00 0.00 H new ATOM 0 HA ILE A 15 2.167 12.122 -4.751 1.00 0.00 H new ATOM 0 HB ILE A 15 4.198 10.180 -3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.362 9.031 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.308 8.759 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.017 10.604 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.738 12.091 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.988 11.805 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.067 9.165 -3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.537 10.465 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.592 10.741 -4.558 1.00 0.00 H new ATOM 139 N SER A 16 3.820 13.954 -4.532 1.00 0.00 N ATOM 140 CA SER A 16 4.756 15.058 -4.352 1.00 0.00 C ATOM 141 C SER A 16 4.228 16.060 -3.330 1.00 0.00 C ATOM 142 O SER A 16 3.041 16.387 -3.323 1.00 0.00 O ATOM 143 CB SER A 16 5.013 15.760 -5.687 1.00 0.00 C ATOM 144 OG SER A 16 4.692 14.914 -6.779 1.00 0.00 O ATOM 0 H SER A 16 2.846 14.240 -4.631 1.00 0.00 H new ATOM 0 HA SER A 16 5.694 14.647 -3.979 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.418 16.672 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.060 16.058 -5.749 1.00 0.00 H new ATOM 0 HG SER A 16 5.193 14.075 -6.701 1.00 0.00 H new ATOM 150 N LEU A 17 5.117 16.544 -2.470 1.00 0.00 N ATOM 151 CA LEU A 17 4.741 17.509 -1.442 1.00 0.00 C ATOM 152 C LEU A 17 4.493 18.883 -2.055 1.00 0.00 C ATOM 153 O LEU A 17 5.373 19.457 -2.695 1.00 0.00 O ATOM 154 CB LEU A 17 5.833 17.598 -0.373 1.00 0.00 C ATOM 155 CG LEU A 17 5.483 16.944 0.966 1.00 0.00 C ATOM 156 CD1 LEU A 17 5.493 15.429 0.838 1.00 0.00 C ATOM 157 CD2 LEU A 17 6.451 17.397 2.048 1.00 0.00 C ATOM 0 H LEU A 17 6.103 16.284 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 17 3.817 17.168 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.739 17.133 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.064 18.649 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 17 4.478 17.257 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.242 14.981 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.760 15.122 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.484 15.096 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.188 16.923 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.466 17.114 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.394 18.480 2.157 1.00 0.00 H new ATOM 169 N VAL A 18 3.288 19.408 -1.852 1.00 0.00 N ATOM 170 CA VAL A 18 2.924 20.715 -2.383 1.00 0.00 C ATOM 171 C VAL A 18 3.260 21.823 -1.392 1.00 0.00 C ATOM 172 O VAL A 18 3.802 22.863 -1.768 1.00 0.00 O ATOM 173 CB VAL A 18 1.423 20.785 -2.723 1.00 0.00 C ATOM 174 CG1 VAL A 18 1.100 22.079 -3.456 1.00 0.00 C ATOM 175 CG2 VAL A 18 1.006 19.578 -3.551 1.00 0.00 C ATOM 0 H VAL A 18 2.548 18.947 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 18 3.503 20.858 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 18 0.858 20.771 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.035 22.110 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.359 22.929 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.674 22.126 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.057 19.645 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.578 19.558 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.198 18.666 -2.987 1.00 0.00 H new ATOM 185 N GLY A 19 2.934 21.596 -0.123 1.00 0.00 N ATOM 186 CA GLY A 19 3.210 22.584 0.902 1.00 0.00 C ATOM 187 C GLY A 19 3.693 21.958 2.195 1.00 0.00 C ATOM 188 O GLY A 19 4.871 22.060 2.541 1.00 0.00 O ATOM 0 H GLY A 19 2.483 20.745 0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.963 23.282 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.307 23.163 1.097 1.00 0.00 H new ATOM 192 N SER A 20 2.781 21.309 2.913 1.00 0.00 N ATOM 193 CA SER A 20 3.119 20.664 4.176 1.00 0.00 C ATOM 194 C SER A 20 2.308 19.386 4.367 1.00 0.00 C ATOM 195 O SER A 20 1.975 19.014 5.492 1.00 0.00 O ATOM 196 CB SER A 20 2.870 21.620 5.344 1.00 0.00 C ATOM 197 OG SER A 20 3.985 22.471 5.552 1.00 0.00 O ATOM 0 H SER A 20 1.802 21.216 2.641 1.00 0.00 H new ATOM 0 HA SER A 20 4.177 20.402 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.982 22.220 5.144 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.671 21.048 6.250 1.00 0.00 H new ATOM 0 HG SER A 20 4.509 22.532 4.726 1.00 0.00 H new ATOM 203 N ARG A 21 1.994 18.719 3.261 1.00 0.00 N ATOM 204 CA ARG A 21 1.222 17.483 3.306 1.00 0.00 C ATOM 205 C ARG A 21 2.016 16.324 2.715 1.00 0.00 C ATOM 206 O ARG A 21 2.445 16.376 1.562 1.00 0.00 O ATOM 207 CB ARG A 21 -0.097 17.652 2.550 1.00 0.00 C ATOM 208 CG ARG A 21 -1.082 16.519 2.783 1.00 0.00 C ATOM 209 CD ARG A 21 -1.567 16.491 4.224 1.00 0.00 C ATOM 210 NE ARG A 21 -2.166 17.762 4.625 1.00 0.00 N ATOM 211 CZ ARG A 21 -3.407 18.129 4.310 1.00 0.00 C ATOM 212 NH1 ARG A 21 -4.182 17.326 3.591 1.00 0.00 N ATOM 213 NH2 ARG A 21 -3.873 19.303 4.714 1.00 0.00 N ATOM 0 H ARG A 21 2.263 19.014 2.322 1.00 0.00 H new ATOM 0 HA ARG A 21 1.007 17.257 4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.560 18.592 2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.113 17.726 1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.934 16.633 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.609 15.568 2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.298 15.692 4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.730 16.260 4.884 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.601 18.406 5.179 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.828 16.423 3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.132 17.612 3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.281 19.924 5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.823 19.585 4.473 1.00 0.00 H new ATOM 227 N GLY A 22 2.207 15.278 3.511 1.00 0.00 N ATOM 228 CA GLY A 22 2.950 14.120 3.049 1.00 0.00 C ATOM 229 C GLY A 22 2.232 13.376 1.940 1.00 0.00 C ATOM 230 O GLY A 22 2.468 13.631 0.759 1.00 0.00 O ATOM 0 H GLY A 22 1.861 15.211 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.930 14.439 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.119 13.443 3.886 1.00 0.00 H new ATOM 234 N LEU A 23 1.359 12.450 2.319 1.00 0.00 N ATOM 235 CA LEU A 23 0.608 11.664 1.351 1.00 0.00 C ATOM 236 C LEU A 23 -0.871 11.612 1.727 1.00 0.00 C ATOM 237 O LEU A 23 -1.736 11.982 0.934 1.00 0.00 O ATOM 238 CB LEU A 23 1.188 10.248 1.268 1.00 0.00 C ATOM 239 CG LEU A 23 0.271 9.197 0.642 1.00 0.00 C ATOM 240 CD1 LEU A 23 0.051 9.492 -0.834 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.851 7.804 0.830 1.00 0.00 C ATOM 0 H LEU A 23 1.154 12.226 3.293 1.00 0.00 H new ATOM 0 HA LEU A 23 0.693 12.140 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.113 10.286 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.451 9.922 2.274 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.694 9.237 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.604 8.734 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.410 10.474 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.009 9.480 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.185 7.069 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.829 7.750 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.955 7.594 1.894 1.00 0.00 H new ATOM 253 N GLY A 24 -1.153 11.148 2.939 1.00 0.00 N ATOM 254 CA GLY A 24 -2.526 11.053 3.396 1.00 0.00 C ATOM 255 C GLY A 24 -3.078 9.645 3.283 1.00 0.00 C ATOM 256 O GLY A 24 -4.282 9.455 3.117 1.00 0.00 O ATOM 0 H GLY A 24 -0.454 10.836 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.584 11.381 4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.148 11.732 2.812 1.00 0.00 H new ATOM 260 N CYS A 25 -2.193 8.659 3.364 1.00 0.00 N ATOM 261 CA CYS A 25 -2.598 7.262 3.260 1.00 0.00 C ATOM 262 C CYS A 25 -1.606 6.355 3.983 1.00 0.00 C ATOM 263 O CYS A 25 -0.458 6.737 4.220 1.00 0.00 O ATOM 264 CB CYS A 25 -2.715 6.864 1.785 1.00 0.00 C ATOM 265 SG CYS A 25 -3.047 5.108 1.498 1.00 0.00 S ATOM 0 H CYS A 25 -1.192 8.800 3.501 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.571 7.143 3.737 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.512 7.450 1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.789 7.132 1.276 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.160 4.391 2.122 1.00 0.00 H new ATOM 271 N SER A 26 -2.055 5.155 4.330 1.00 0.00 N ATOM 272 CA SER A 26 -1.212 4.191 5.025 1.00 0.00 C ATOM 273 C SER A 26 -0.955 2.974 4.144 1.00 0.00 C ATOM 274 O SER A 26 -1.524 2.853 3.061 1.00 0.00 O ATOM 275 CB SER A 26 -1.872 3.757 6.334 1.00 0.00 C ATOM 276 OG SER A 26 -1.795 4.781 7.310 1.00 0.00 O ATOM 0 H SER A 26 -3.002 4.826 4.140 1.00 0.00 H new ATOM 0 HA SER A 26 -0.258 4.668 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.916 3.503 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.386 2.856 6.709 1.00 0.00 H new ATOM 0 HG SER A 26 -2.226 4.478 8.137 1.00 0.00 H new ATOM 282 N ILE A 27 -0.094 2.077 4.608 1.00 0.00 N ATOM 283 CA ILE A 27 0.229 0.874 3.852 1.00 0.00 C ATOM 284 C ILE A 27 0.249 -0.355 4.753 1.00 0.00 C ATOM 285 O ILE A 27 0.754 -0.308 5.874 1.00 0.00 O ATOM 286 CB ILE A 27 1.591 1.001 3.142 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.679 1.391 4.142 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.506 2.021 2.016 1.00 0.00 C ATOM 289 CD1 ILE A 27 4.044 1.544 3.510 1.00 0.00 C ATOM 0 H ILE A 27 0.392 2.159 5.501 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.552 0.756 3.101 1.00 0.00 H new ATOM 0 HB ILE A 27 1.852 0.034 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.402 2.329 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.731 0.635 4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.475 2.101 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.756 1.702 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.226 2.992 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.770 1.822 4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.341 0.600 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.006 2.321 2.746 1.00 0.00 H new ATOM 301 N SER A 28 -0.306 -1.453 4.253 1.00 0.00 N ATOM 302 CA SER A 28 -0.358 -2.699 5.010 1.00 0.00 C ATOM 303 C SER A 28 0.454 -3.788 4.318 1.00 0.00 C ATOM 304 O SER A 28 0.762 -3.687 3.131 1.00 0.00 O ATOM 305 CB SER A 28 -1.808 -3.158 5.179 1.00 0.00 C ATOM 306 OG SER A 28 -2.451 -3.292 3.924 1.00 0.00 O ATOM 0 H SER A 28 -0.727 -1.506 3.325 1.00 0.00 H new ATOM 0 HA SER A 28 0.075 -2.516 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.832 -4.112 5.707 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.350 -2.440 5.794 1.00 0.00 H new ATOM 0 HG SER A 28 -3.375 -3.588 4.060 1.00 0.00 H new ATOM 312 N SER A 29 0.798 -4.830 5.067 1.00 0.00 N ATOM 313 CA SER A 29 1.574 -5.937 4.522 1.00 0.00 C ATOM 314 C SER A 29 0.687 -7.158 4.296 1.00 0.00 C ATOM 315 O SER A 29 -0.244 -7.412 5.060 1.00 0.00 O ATOM 316 CB SER A 29 2.727 -6.293 5.463 1.00 0.00 C ATOM 317 OG SER A 29 3.225 -7.593 5.195 1.00 0.00 O ATOM 0 H SER A 29 0.552 -4.931 6.052 1.00 0.00 H new ATOM 0 HA SER A 29 1.985 -5.625 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.529 -5.563 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.386 -6.237 6.497 1.00 0.00 H new ATOM 0 HG SER A 29 3.962 -7.794 5.809 1.00 0.00 H new ATOM 323 N GLY A 30 0.981 -7.906 3.237 1.00 0.00 N ATOM 324 CA GLY A 30 0.197 -9.087 2.924 1.00 0.00 C ATOM 325 C GLY A 30 0.758 -10.347 3.556 1.00 0.00 C ATOM 326 O GLY A 30 1.853 -10.326 4.119 1.00 0.00 O ATOM 0 H GLY A 30 1.747 -7.716 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.827 -8.939 3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.157 -9.215 1.842 1.00 0.00 H new ATOM 330 N PRO A 31 0.025 -11.469 3.473 1.00 0.00 N ATOM 331 CA PRO A 31 0.464 -12.745 4.046 1.00 0.00 C ATOM 332 C PRO A 31 1.620 -13.364 3.268 1.00 0.00 C ATOM 333 O PRO A 31 2.249 -12.705 2.439 1.00 0.00 O ATOM 334 CB PRO A 31 -0.783 -13.626 3.944 1.00 0.00 C ATOM 335 CG PRO A 31 -1.552 -13.063 2.802 1.00 0.00 C ATOM 336 CD PRO A 31 -1.292 -11.580 2.818 1.00 0.00 C ATOM 0 HA PRO A 31 0.838 -12.628 5.063 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.518 -14.668 3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.365 -13.597 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.230 -13.505 1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.616 -13.274 2.906 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.276 -11.164 1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.062 -11.043 3.372 1.00 0.00 H new ATOM 344 N ILE A 32 1.894 -14.635 3.541 1.00 0.00 N ATOM 345 CA ILE A 32 2.973 -15.351 2.870 1.00 0.00 C ATOM 346 C ILE A 32 2.564 -15.771 1.462 1.00 0.00 C ATOM 347 O ILE A 32 3.413 -15.959 0.590 1.00 0.00 O ATOM 348 CB ILE A 32 3.390 -16.602 3.670 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.793 -16.213 5.094 1.00 0.00 C ATOM 350 CG2 ILE A 32 4.532 -17.329 2.970 1.00 0.00 C ATOM 351 CD1 ILE A 32 3.561 -17.310 6.109 1.00 0.00 C ATOM 0 H ILE A 32 1.382 -15.192 4.225 1.00 0.00 H new ATOM 0 HA ILE A 32 3.820 -14.667 2.806 1.00 0.00 H new ATOM 0 HB ILE A 32 2.537 -17.278 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.848 -15.939 5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.231 -15.328 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.813 -18.209 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.212 -17.637 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.390 -16.662 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.869 -16.964 7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.502 -17.569 6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.144 -18.189 5.834 1.00 0.00 H new ATOM 363 N GLN A 33 1.263 -15.921 1.247 1.00 0.00 N ATOM 364 CA GLN A 33 0.746 -16.326 -0.054 1.00 0.00 C ATOM 365 C GLN A 33 0.956 -15.231 -1.097 1.00 0.00 C ATOM 366 O GLN A 33 1.083 -15.514 -2.288 1.00 0.00 O ATOM 367 CB GLN A 33 -0.741 -16.667 0.052 1.00 0.00 C ATOM 368 CG GLN A 33 -1.059 -17.640 1.177 1.00 0.00 C ATOM 369 CD GLN A 33 -0.498 -19.026 0.925 1.00 0.00 C ATOM 370 OE1 GLN A 33 -0.745 -19.629 -0.118 1.00 0.00 O ATOM 371 NE2 GLN A 33 0.264 -19.539 1.886 1.00 0.00 N ATOM 0 H GLN A 33 0.547 -15.768 1.957 1.00 0.00 H new ATOM 0 HA GLN A 33 1.296 -17.211 -0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.307 -15.748 0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.077 -17.094 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.655 -17.253 2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.140 -17.706 1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.443 -19.003 2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.670 -20.468 1.774 1.00 0.00 H new ATOM 380 N LYS A 34 0.993 -13.981 -0.644 1.00 0.00 N ATOM 381 CA LYS A 34 1.190 -12.851 -1.544 1.00 0.00 C ATOM 382 C LYS A 34 1.744 -11.639 -0.797 1.00 0.00 C ATOM 383 O LYS A 34 1.077 -10.612 -0.682 1.00 0.00 O ATOM 384 CB LYS A 34 -0.129 -12.487 -2.232 1.00 0.00 C ATOM 385 CG LYS A 34 0.039 -12.058 -3.681 1.00 0.00 C ATOM 386 CD LYS A 34 -1.223 -12.314 -4.486 1.00 0.00 C ATOM 387 CE LYS A 34 -1.277 -11.438 -5.728 1.00 0.00 C ATOM 388 NZ LYS A 34 -0.360 -11.930 -6.794 1.00 0.00 N ATOM 0 H LYS A 34 0.889 -13.726 0.338 1.00 0.00 H new ATOM 0 HA LYS A 34 1.919 -13.145 -2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.799 -13.345 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.609 -11.681 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.289 -10.998 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.873 -12.599 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.264 -13.364 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.098 -12.121 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.297 -11.412 -6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.010 -10.415 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.426 -11.306 -7.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.617 -11.931 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.630 -12.897 -7.065 1.00 0.00 H new ATOM 402 N PRO A 35 2.980 -11.743 -0.277 1.00 0.00 N ATOM 403 CA PRO A 35 3.622 -10.650 0.460 1.00 0.00 C ATOM 404 C PRO A 35 3.881 -9.436 -0.426 1.00 0.00 C ATOM 405 O PRO A 35 4.189 -9.574 -1.610 1.00 0.00 O ATOM 406 CB PRO A 35 4.952 -11.253 0.934 1.00 0.00 C ATOM 407 CG PRO A 35 4.794 -12.730 0.783 1.00 0.00 C ATOM 408 CD PRO A 35 3.848 -12.927 -0.365 1.00 0.00 C ATOM 0 HA PRO A 35 2.993 -10.290 1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.786 -10.884 0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.158 -10.984 1.970 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.754 -13.207 0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.399 -13.176 1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.373 -12.974 -1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.281 -13.853 -0.268 1.00 0.00 H new ATOM 416 N GLY A 36 3.754 -8.247 0.153 1.00 0.00 N ATOM 417 CA GLY A 36 3.981 -7.030 -0.604 1.00 0.00 C ATOM 418 C GLY A 36 3.417 -5.803 0.085 1.00 0.00 C ATOM 419 O GLY A 36 2.664 -5.916 1.052 1.00 0.00 O ATOM 0 H GLY A 36 3.499 -8.104 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.052 -6.896 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.527 -7.130 -1.590 1.00 0.00 H new ATOM 423 N ILE A 37 3.781 -4.627 -0.417 1.00 0.00 N ATOM 424 CA ILE A 37 3.306 -3.374 0.154 1.00 0.00 C ATOM 425 C ILE A 37 1.923 -3.019 -0.379 1.00 0.00 C ATOM 426 O ILE A 37 1.753 -2.760 -1.570 1.00 0.00 O ATOM 427 CB ILE A 37 4.277 -2.217 -0.148 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.714 -2.633 0.169 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.890 -0.979 0.647 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.902 -3.136 1.584 1.00 0.00 C ATOM 0 H ILE A 37 4.403 -4.517 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 37 3.250 -3.516 1.233 1.00 0.00 H new ATOM 0 HB ILE A 37 4.214 -1.977 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.020 -3.413 -0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.374 -1.782 0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.586 -0.170 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.879 -0.674 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.927 -1.205 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.945 -3.413 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.628 -2.351 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.268 -4.007 1.748 1.00 0.00 H new ATOM 442 N PHE A 38 0.936 -3.016 0.511 1.00 0.00 N ATOM 443 CA PHE A 38 -0.434 -2.700 0.130 1.00 0.00 C ATOM 444 C PHE A 38 -0.852 -1.333 0.659 1.00 0.00 C ATOM 445 O PHE A 38 -0.092 -0.669 1.364 1.00 0.00 O ATOM 446 CB PHE A 38 -1.383 -3.785 0.639 1.00 0.00 C ATOM 447 CG PHE A 38 -1.023 -5.153 0.140 1.00 0.00 C ATOM 448 CD1 PHE A 38 -0.064 -5.912 0.791 1.00 0.00 C ATOM 449 CD2 PHE A 38 -1.634 -5.678 -0.987 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.276 -7.169 0.329 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.296 -6.934 -1.455 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.340 -7.680 -0.795 1.00 0.00 C ATOM 0 H PHE A 38 1.060 -3.229 1.501 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.487 -2.666 -0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.374 -3.787 1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.400 -3.546 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.423 -5.517 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.383 -5.099 -1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.023 -7.751 0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.779 -7.331 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.075 -8.662 -1.158 1.00 0.00 H new ATOM 462 N ILE A 39 -2.060 -0.914 0.299 1.00 0.00 N ATOM 463 CA ILE A 39 -2.575 0.382 0.720 1.00 0.00 C ATOM 464 C ILE A 39 -3.668 0.237 1.776 1.00 0.00 C ATOM 465 O ILE A 39 -4.542 -0.623 1.675 1.00 0.00 O ATOM 466 CB ILE A 39 -3.128 1.170 -0.491 1.00 0.00 C ATOM 467 CG1 ILE A 39 -1.977 1.661 -1.370 1.00 0.00 C ATOM 468 CG2 ILE A 39 -3.990 2.341 -0.038 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.141 2.744 -0.723 1.00 0.00 C ATOM 0 H ILE A 39 -2.700 -1.454 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.743 0.932 1.160 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.757 0.499 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.334 0.816 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.383 2.039 -2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.365 2.876 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.830 1.969 0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.393 3.017 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.344 3.044 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.771 3.605 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.706 2.364 0.201 1.00 0.00 H new ATOM 481 N SER A 40 -3.605 1.100 2.783 1.00 0.00 N ATOM 482 CA SER A 40 -4.580 1.103 3.866 1.00 0.00 C ATOM 483 C SER A 40 -5.525 2.293 3.726 1.00 0.00 C ATOM 484 O SER A 40 -5.533 2.973 2.701 1.00 0.00 O ATOM 485 CB SER A 40 -3.868 1.150 5.222 1.00 0.00 C ATOM 486 OG SER A 40 -4.184 0.009 6.001 1.00 0.00 O ATOM 0 H SER A 40 -2.881 1.813 2.872 1.00 0.00 H new ATOM 0 HA SER A 40 -5.164 0.185 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.790 1.203 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.159 2.053 5.759 1.00 0.00 H new ATOM 0 HG SER A 40 -4.306 0.275 6.936 1.00 0.00 H new ATOM 492 N HIS A 41 -6.323 2.538 4.763 1.00 0.00 N ATOM 493 CA HIS A 41 -7.274 3.648 4.756 1.00 0.00 C ATOM 494 C HIS A 41 -6.622 4.936 4.254 1.00 0.00 C ATOM 495 O HIS A 41 -5.421 5.141 4.424 1.00 0.00 O ATOM 496 CB HIS A 41 -7.842 3.867 6.161 1.00 0.00 C ATOM 497 CG HIS A 41 -9.282 4.275 6.168 1.00 0.00 C ATOM 498 ND1 HIS A 41 -10.276 3.521 6.757 1.00 0.00 N ATOM 499 CD2 HIS A 41 -9.896 5.366 5.653 1.00 0.00 C ATOM 500 CE1 HIS A 41 -11.437 4.130 6.603 1.00 0.00 C ATOM 501 NE2 HIS A 41 -11.234 5.253 5.938 1.00 0.00 N ATOM 0 H HIS A 41 -6.330 1.983 5.619 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.084 3.388 4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.731 2.948 6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.254 4.633 6.666 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.421 6.175 5.117 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -12.391 3.771 6.960 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -11.954 5.927 5.678 1.00 0.00 H new ATOM 510 N VAL A 42 -7.422 5.797 3.634 1.00 0.00 N ATOM 511 CA VAL A 42 -6.926 7.063 3.104 1.00 0.00 C ATOM 512 C VAL A 42 -7.753 8.236 3.621 1.00 0.00 C ATOM 513 O VAL A 42 -8.905 8.067 4.023 1.00 0.00 O ATOM 514 CB VAL A 42 -6.949 7.072 1.563 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.290 8.332 1.024 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.268 5.827 1.013 1.00 0.00 C ATOM 0 H VAL A 42 -8.419 5.641 3.486 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.896 7.169 3.446 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.988 7.067 1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.317 8.319 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.826 9.208 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.254 8.374 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.293 5.850 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.232 5.799 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.790 4.939 1.370 1.00 0.00 H new ATOM 526 N LYS A 43 -7.161 9.427 3.604 1.00 0.00 N ATOM 527 CA LYS A 43 -7.846 10.630 4.067 1.00 0.00 C ATOM 528 C LYS A 43 -7.908 11.683 2.961 1.00 0.00 C ATOM 529 O LYS A 43 -6.957 11.846 2.196 1.00 0.00 O ATOM 530 CB LYS A 43 -7.139 11.206 5.295 1.00 0.00 C ATOM 531 CG LYS A 43 -5.729 11.698 5.012 1.00 0.00 C ATOM 532 CD LYS A 43 -5.033 12.155 6.283 1.00 0.00 C ATOM 533 CE LYS A 43 -3.908 13.131 5.983 1.00 0.00 C ATOM 534 NZ LYS A 43 -2.737 12.924 6.879 1.00 0.00 N ATOM 0 H LYS A 43 -6.209 9.585 3.275 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.865 10.354 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.730 12.032 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.099 10.443 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.151 10.900 4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.766 12.522 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.758 12.627 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.634 11.289 6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.595 13.016 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.274 14.152 6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.992 13.610 6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.029 13.059 7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.371 11.959 6.754 1.00 0.00 H new ATOM 548 N PRO A 44 -9.034 12.412 2.858 1.00 0.00 N ATOM 549 CA PRO A 44 -9.212 13.449 1.835 1.00 0.00 C ATOM 550 C PRO A 44 -8.397 14.705 2.132 1.00 0.00 C ATOM 551 O PRO A 44 -7.983 14.934 3.267 1.00 0.00 O ATOM 552 CB PRO A 44 -10.709 13.755 1.905 1.00 0.00 C ATOM 553 CG PRO A 44 -11.091 13.438 3.308 1.00 0.00 C ATOM 554 CD PRO A 44 -10.221 12.284 3.726 1.00 0.00 C ATOM 0 HA PRO A 44 -8.873 13.118 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.912 14.799 1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.271 13.149 1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.936 14.299 3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.147 13.175 3.375 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.954 12.344 4.781 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.724 11.328 3.579 1.00 0.00 H new ATOM 562 N GLY A 45 -8.176 15.515 1.100 1.00 0.00 N ATOM 563 CA GLY A 45 -7.416 16.740 1.269 1.00 0.00 C ATOM 564 C GLY A 45 -5.916 16.525 1.165 1.00 0.00 C ATOM 565 O GLY A 45 -5.145 17.483 1.185 1.00 0.00 O ATOM 0 H GLY A 45 -8.509 15.345 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.728 17.462 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.649 17.175 2.241 1.00 0.00 H new ATOM 569 N SER A 46 -5.500 15.266 1.053 1.00 0.00 N ATOM 570 CA SER A 46 -4.084 14.936 0.949 1.00 0.00 C ATOM 571 C SER A 46 -3.710 14.577 -0.486 1.00 0.00 C ATOM 572 O SER A 46 -4.477 14.823 -1.418 1.00 0.00 O ATOM 573 CB SER A 46 -3.746 13.776 1.881 1.00 0.00 C ATOM 574 OG SER A 46 -4.465 13.874 3.098 1.00 0.00 O ATOM 0 H SER A 46 -6.124 14.459 1.032 1.00 0.00 H new ATOM 0 HA SER A 46 -3.508 15.813 1.244 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.981 12.831 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.676 13.771 2.087 1.00 0.00 H new ATOM 0 HG SER A 46 -4.022 14.518 3.689 1.00 0.00 H new ATOM 580 N LEU A 47 -2.528 13.993 -0.659 1.00 0.00 N ATOM 581 CA LEU A 47 -2.055 13.599 -1.981 1.00 0.00 C ATOM 582 C LEU A 47 -2.681 12.275 -2.407 1.00 0.00 C ATOM 583 O LEU A 47 -3.106 12.119 -3.551 1.00 0.00 O ATOM 584 CB LEU A 47 -0.528 13.481 -1.992 1.00 0.00 C ATOM 585 CG LEU A 47 0.231 14.773 -1.681 1.00 0.00 C ATOM 586 CD1 LEU A 47 -0.305 15.926 -2.516 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.140 15.099 -0.197 1.00 0.00 C ATOM 0 H LEU A 47 -1.880 13.782 0.100 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.355 14.371 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.234 12.723 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.215 13.122 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 47 1.280 14.625 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.248 16.835 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.187 15.694 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.361 16.076 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.685 16.021 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.905 15.226 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.575 14.284 0.382 1.00 0.00 H new ATOM 599 N SER A 48 -2.732 11.325 -1.478 1.00 0.00 N ATOM 600 CA SER A 48 -3.305 10.013 -1.757 1.00 0.00 C ATOM 601 C SER A 48 -4.739 10.139 -2.264 1.00 0.00 C ATOM 602 O SER A 48 -5.150 9.429 -3.181 1.00 0.00 O ATOM 603 CB SER A 48 -3.272 9.140 -0.500 1.00 0.00 C ATOM 604 OG SER A 48 -3.580 7.794 -0.805 1.00 0.00 O ATOM 0 H SER A 48 -2.384 11.439 -0.526 1.00 0.00 H new ATOM 0 HA SER A 48 -2.704 9.542 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.285 9.195 -0.041 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.985 9.523 0.231 1.00 0.00 H new ATOM 0 HG SER A 48 -4.543 7.647 -0.700 1.00 0.00 H new ATOM 610 N ALA A 49 -5.496 11.047 -1.660 1.00 0.00 N ATOM 611 CA ALA A 49 -6.883 11.267 -2.050 1.00 0.00 C ATOM 612 C ALA A 49 -6.973 11.900 -3.434 1.00 0.00 C ATOM 613 O ALA A 49 -7.857 11.567 -4.224 1.00 0.00 O ATOM 614 CB ALA A 49 -7.587 12.142 -1.025 1.00 0.00 C ATOM 0 H ALA A 49 -5.173 11.643 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.379 10.297 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.622 12.298 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.565 11.652 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.080 13.104 -0.958 1.00 0.00 H new ATOM 620 N GLU A 50 -6.057 12.818 -3.720 1.00 0.00 N ATOM 621 CA GLU A 50 -6.033 13.503 -5.007 1.00 0.00 C ATOM 622 C GLU A 50 -5.704 12.534 -6.139 1.00 0.00 C ATOM 623 O GLU A 50 -6.216 12.668 -7.251 1.00 0.00 O ATOM 624 CB GLU A 50 -5.014 14.641 -4.980 1.00 0.00 C ATOM 625 CG GLU A 50 -5.605 15.980 -4.567 1.00 0.00 C ATOM 626 CD GLU A 50 -6.644 16.486 -5.549 1.00 0.00 C ATOM 627 OE1 GLU A 50 -6.301 16.664 -6.737 1.00 0.00 O ATOM 628 OE2 GLU A 50 -7.801 16.702 -5.131 1.00 0.00 O ATOM 0 H GLU A 50 -5.320 13.106 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.025 13.915 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.210 14.381 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.567 14.741 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.059 15.884 -3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.805 16.715 -4.479 1.00 0.00 H new ATOM 635 N VAL A 51 -4.846 11.561 -5.851 1.00 0.00 N ATOM 636 CA VAL A 51 -4.449 10.574 -6.849 1.00 0.00 C ATOM 637 C VAL A 51 -5.518 9.498 -7.027 1.00 0.00 C ATOM 638 O VAL A 51 -5.522 8.776 -8.024 1.00 0.00 O ATOM 639 CB VAL A 51 -3.116 9.898 -6.471 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.976 10.903 -6.519 1.00 0.00 C ATOM 641 CG2 VAL A 51 -3.213 9.254 -5.098 1.00 0.00 C ATOM 0 H VAL A 51 -4.413 11.435 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.325 11.113 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.908 9.113 -7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.043 10.408 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.892 11.311 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.174 11.712 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.262 8.782 -4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.445 10.016 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.001 8.501 -5.104 1.00 0.00 H new ATOM 651 N GLY A 52 -6.424 9.395 -6.058 1.00 0.00 N ATOM 652 CA GLY A 52 -7.480 8.402 -6.135 1.00 0.00 C ATOM 653 C GLY A 52 -7.080 7.087 -5.497 1.00 0.00 C ATOM 654 O GLY A 52 -7.334 6.016 -6.051 1.00 0.00 O ATOM 0 H GLY A 52 -6.445 9.980 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.373 8.786 -5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.741 8.232 -7.180 1.00 0.00 H new ATOM 658 N LEU A 53 -6.449 7.169 -4.332 1.00 0.00 N ATOM 659 CA LEU A 53 -6.007 5.980 -3.614 1.00 0.00 C ATOM 660 C LEU A 53 -7.099 5.464 -2.682 1.00 0.00 C ATOM 661 O LEU A 53 -7.970 6.219 -2.250 1.00 0.00 O ATOM 662 CB LEU A 53 -4.741 6.291 -2.814 1.00 0.00 C ATOM 663 CG LEU A 53 -3.427 5.977 -3.531 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.247 6.560 -2.770 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.262 4.476 -3.699 1.00 0.00 C ATOM 0 H LEU A 53 -6.232 8.049 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.789 5.203 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.748 7.348 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.772 5.728 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.456 6.436 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.322 6.325 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.359 7.642 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.213 6.132 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.322 4.268 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.255 3.999 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.091 4.083 -4.288 1.00 0.00 H new ATOM 677 N GLU A 54 -7.046 4.172 -2.379 1.00 0.00 N ATOM 678 CA GLU A 54 -8.028 3.548 -1.500 1.00 0.00 C ATOM 679 C GLU A 54 -7.563 2.163 -1.068 1.00 0.00 C ATOM 680 O GLU A 54 -6.694 1.566 -1.704 1.00 0.00 O ATOM 681 CB GLU A 54 -9.385 3.447 -2.203 1.00 0.00 C ATOM 682 CG GLU A 54 -10.245 4.691 -2.048 1.00 0.00 C ATOM 683 CD GLU A 54 -10.378 5.474 -3.340 1.00 0.00 C ATOM 684 OE1 GLU A 54 -10.687 4.855 -4.379 1.00 0.00 O ATOM 685 OE2 GLU A 54 -10.172 6.705 -3.311 1.00 0.00 O ATOM 0 H GLU A 54 -6.331 3.535 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.134 4.172 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.222 3.258 -3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.927 2.589 -1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.236 4.401 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.813 5.334 -1.281 1.00 0.00 H new ATOM 692 N ILE A 55 -8.147 1.652 0.013 1.00 0.00 N ATOM 693 CA ILE A 55 -7.787 0.332 0.519 1.00 0.00 C ATOM 694 C ILE A 55 -7.955 -0.729 -0.564 1.00 0.00 C ATOM 695 O ILE A 55 -8.810 -0.604 -1.440 1.00 0.00 O ATOM 696 CB ILE A 55 -8.637 -0.056 1.746 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.580 1.046 2.805 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.162 -1.381 2.325 1.00 0.00 C ATOM 699 CD1 ILE A 55 -9.918 1.336 3.451 1.00 0.00 C ATOM 0 H ILE A 55 -8.868 2.130 0.553 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.741 0.381 0.820 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.673 -0.173 1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.867 0.759 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.202 1.960 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.773 -1.640 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.253 -2.162 1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.119 -1.292 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.801 2.128 4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.629 1.654 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.289 0.435 3.939 1.00 0.00 H new ATOM 711 N GLY A 56 -7.131 -1.767 -0.502 1.00 0.00 N ATOM 712 CA GLY A 56 -7.203 -2.828 -1.489 1.00 0.00 C ATOM 713 C GLY A 56 -6.123 -2.705 -2.545 1.00 0.00 C ATOM 714 O GLY A 56 -5.751 -3.689 -3.182 1.00 0.00 O ATOM 0 H GLY A 56 -6.415 -1.894 0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.112 -3.793 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.181 -2.809 -1.969 1.00 0.00 H new ATOM 718 N ASP A 57 -5.614 -1.491 -2.728 1.00 0.00 N ATOM 719 CA ASP A 57 -4.567 -1.240 -3.708 1.00 0.00 C ATOM 720 C ASP A 57 -3.240 -1.828 -3.238 1.00 0.00 C ATOM 721 O ASP A 57 -3.096 -2.203 -2.074 1.00 0.00 O ATOM 722 CB ASP A 57 -4.419 0.263 -3.947 1.00 0.00 C ATOM 723 CG ASP A 57 -5.590 0.844 -4.716 1.00 0.00 C ATOM 724 OD1 ASP A 57 -5.855 0.369 -5.841 1.00 0.00 O ATOM 725 OD2 ASP A 57 -6.243 1.772 -4.195 1.00 0.00 O ATOM 0 H ASP A 57 -5.911 -0.665 -2.209 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.848 -1.722 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.328 0.773 -2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.497 0.452 -4.497 1.00 0.00 H new ATOM 730 N GLN A 58 -2.272 -1.912 -4.145 1.00 0.00 N ATOM 731 CA GLN A 58 -0.963 -2.459 -3.808 1.00 0.00 C ATOM 732 C GLN A 58 0.129 -1.876 -4.700 1.00 0.00 C ATOM 733 O GLN A 58 0.106 -2.044 -5.919 1.00 0.00 O ATOM 734 CB GLN A 58 -0.978 -3.984 -3.930 1.00 0.00 C ATOM 735 CG GLN A 58 0.336 -4.640 -3.539 1.00 0.00 C ATOM 736 CD GLN A 58 0.755 -5.729 -4.508 1.00 0.00 C ATOM 737 OE1 GLN A 58 0.044 -6.715 -4.697 1.00 0.00 O ATOM 738 NE2 GLN A 58 1.917 -5.554 -5.125 1.00 0.00 N ATOM 0 H GLN A 58 -2.369 -1.610 -5.114 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.742 -2.183 -2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.774 -4.382 -3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.218 -4.255 -4.958 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.117 -3.881 -3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.243 -5.064 -2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.474 -4.720 -4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.253 -6.253 -5.787 1.00 0.00 H new ATOM 747 N ILE A 59 1.090 -1.199 -4.078 1.00 0.00 N ATOM 748 CA ILE A 59 2.197 -0.596 -4.811 1.00 0.00 C ATOM 749 C ILE A 59 3.118 -1.671 -5.375 1.00 0.00 C ATOM 750 O ILE A 59 3.718 -2.443 -4.626 1.00 0.00 O ATOM 751 CB ILE A 59 3.016 0.350 -3.912 1.00 0.00 C ATOM 752 CG1 ILE A 59 2.087 1.304 -3.155 1.00 0.00 C ATOM 753 CG2 ILE A 59 4.027 1.130 -4.740 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.002 1.015 -1.672 1.00 0.00 C ATOM 0 H ILE A 59 1.124 -1.055 -3.069 1.00 0.00 H new ATOM 0 HA ILE A 59 1.766 -0.019 -5.629 1.00 0.00 H new ATOM 0 HB ILE A 59 3.561 -0.250 -3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.435 2.327 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.088 1.244 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.596 1.793 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.706 0.435 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.503 1.721 -5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.327 1.729 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.625 0.004 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.993 1.104 -1.227 1.00 0.00 H new ATOM 766 N VAL A 60 3.220 -1.722 -6.698 1.00 0.00 N ATOM 767 CA VAL A 60 4.059 -2.713 -7.361 1.00 0.00 C ATOM 768 C VAL A 60 5.456 -2.170 -7.656 1.00 0.00 C ATOM 769 O VAL A 60 6.393 -2.937 -7.871 1.00 0.00 O ATOM 770 CB VAL A 60 3.420 -3.195 -8.677 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.094 -3.890 -8.403 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.233 -2.032 -9.640 1.00 0.00 C ATOM 0 H VAL A 60 2.733 -1.089 -7.332 1.00 0.00 H new ATOM 0 HA VAL A 60 4.147 -3.553 -6.672 1.00 0.00 H new ATOM 0 HB VAL A 60 4.092 -3.915 -9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.657 -4.224 -9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.261 -4.750 -7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.413 -3.194 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.780 -2.393 -10.563 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.583 -1.284 -9.186 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.202 -1.584 -9.862 1.00 0.00 H new ATOM 782 N GLU A 61 5.594 -0.846 -7.669 1.00 0.00 N ATOM 783 CA GLU A 61 6.886 -0.225 -7.944 1.00 0.00 C ATOM 784 C GLU A 61 6.932 1.213 -7.437 1.00 0.00 C ATOM 785 O GLU A 61 5.899 1.860 -7.265 1.00 0.00 O ATOM 786 CB GLU A 61 7.176 -0.256 -9.446 1.00 0.00 C ATOM 787 CG GLU A 61 8.647 -0.071 -9.784 1.00 0.00 C ATOM 788 CD GLU A 61 8.948 -0.349 -11.244 1.00 0.00 C ATOM 789 OE1 GLU A 61 8.147 -1.055 -11.892 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.984 0.141 -11.739 1.00 0.00 O ATOM 0 H GLU A 61 4.834 -0.188 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 61 7.650 -0.795 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.834 -1.207 -9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.598 0.527 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.946 0.949 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.246 -0.735 -9.160 1.00 0.00 H new ATOM 797 N VAL A 62 8.145 1.706 -7.204 1.00 0.00 N ATOM 798 CA VAL A 62 8.349 3.067 -6.722 1.00 0.00 C ATOM 799 C VAL A 62 9.684 3.614 -7.216 1.00 0.00 C ATOM 800 O VAL A 62 10.742 3.081 -6.884 1.00 0.00 O ATOM 801 CB VAL A 62 8.313 3.127 -5.182 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.442 4.563 -4.693 1.00 0.00 C ATOM 803 CG2 VAL A 62 7.036 2.490 -4.655 1.00 0.00 C ATOM 0 H VAL A 62 9.007 1.178 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 62 7.537 3.678 -7.115 1.00 0.00 H new ATOM 0 HB VAL A 62 9.163 2.563 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.414 4.580 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.387 4.981 -5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.617 5.157 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.027 2.541 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.173 3.025 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.993 1.447 -4.970 1.00 0.00 H new ATOM 813 N ASN A 63 9.630 4.675 -8.021 1.00 0.00 N ATOM 814 CA ASN A 63 10.839 5.292 -8.575 1.00 0.00 C ATOM 815 C ASN A 63 11.802 4.234 -9.112 1.00 0.00 C ATOM 816 O ASN A 63 12.999 4.261 -8.822 1.00 0.00 O ATOM 817 CB ASN A 63 11.550 6.172 -7.532 1.00 0.00 C ATOM 818 CG ASN A 63 11.124 5.887 -6.106 1.00 0.00 C ATOM 819 OD1 ASN A 63 11.618 4.955 -5.469 1.00 0.00 O ATOM 820 ND2 ASN A 63 10.202 6.693 -5.601 1.00 0.00 N ATOM 0 H ASN A 63 8.761 5.127 -8.305 1.00 0.00 H new ATOM 0 HA ASN A 63 10.525 5.928 -9.402 1.00 0.00 H new ATOM 0 HB2 ASN A 63 12.627 6.024 -7.617 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.353 7.220 -7.758 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.872 6.555 -4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.822 7.452 -6.167 1.00 0.00 H new ATOM 827 N GLY A 64 11.270 3.301 -9.894 1.00 0.00 N ATOM 828 CA GLY A 64 12.094 2.247 -10.456 1.00 0.00 C ATOM 829 C GLY A 64 12.613 1.295 -9.396 1.00 0.00 C ATOM 830 O GLY A 64 13.617 0.614 -9.600 1.00 0.00 O ATOM 0 H GLY A 64 10.283 3.256 -10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.514 1.688 -11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.936 2.691 -10.986 1.00 0.00 H new ATOM 834 N VAL A 65 11.924 1.250 -8.260 1.00 0.00 N ATOM 835 CA VAL A 65 12.314 0.378 -7.162 1.00 0.00 C ATOM 836 C VAL A 65 11.325 -0.773 -7.003 1.00 0.00 C ATOM 837 O VAL A 65 10.117 -0.557 -6.908 1.00 0.00 O ATOM 838 CB VAL A 65 12.404 1.158 -5.836 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.993 0.287 -4.740 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.224 2.428 -6.016 1.00 0.00 C ATOM 0 H VAL A 65 11.091 1.810 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 65 13.298 -0.025 -7.403 1.00 0.00 H new ATOM 0 HB VAL A 65 11.395 1.443 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 65 13.048 0.857 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.361 -0.588 -4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.994 -0.034 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.276 2.965 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.231 2.168 -6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.753 3.062 -6.767 1.00 0.00 H new ATOM 850 N ASP A 66 11.845 -1.995 -6.985 1.00 0.00 N ATOM 851 CA ASP A 66 11.007 -3.181 -6.846 1.00 0.00 C ATOM 852 C ASP A 66 10.317 -3.210 -5.486 1.00 0.00 C ATOM 853 O ASP A 66 10.970 -3.326 -4.450 1.00 0.00 O ATOM 854 CB ASP A 66 11.844 -4.448 -7.033 1.00 0.00 C ATOM 855 CG ASP A 66 12.187 -4.705 -8.488 1.00 0.00 C ATOM 856 OD1 ASP A 66 12.959 -3.911 -9.064 1.00 0.00 O ATOM 857 OD2 ASP A 66 11.680 -5.699 -9.049 1.00 0.00 O ATOM 0 H ASP A 66 12.843 -2.191 -7.065 1.00 0.00 H new ATOM 0 HA ASP A 66 10.240 -3.142 -7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.764 -4.361 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.298 -5.303 -6.635 1.00 0.00 H new ATOM 862 N PHE A 67 8.992 -3.106 -5.500 1.00 0.00 N ATOM 863 CA PHE A 67 8.210 -3.121 -4.270 1.00 0.00 C ATOM 864 C PHE A 67 7.612 -4.504 -4.016 1.00 0.00 C ATOM 865 O PHE A 67 7.262 -4.838 -2.884 1.00 0.00 O ATOM 866 CB PHE A 67 7.098 -2.071 -4.335 1.00 0.00 C ATOM 867 CG PHE A 67 7.360 -0.870 -3.472 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.598 -0.250 -3.486 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.368 -0.365 -2.648 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.843 0.855 -2.693 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.607 0.740 -1.853 1.00 0.00 C ATOM 872 CZ PHE A 67 7.846 1.352 -1.874 1.00 0.00 C ATOM 0 H PHE A 67 8.437 -3.010 -6.351 1.00 0.00 H new ATOM 0 HA PHE A 67 8.878 -2.881 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.975 -1.747 -5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.157 -2.530 -4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.381 -0.634 -4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.398 -0.839 -2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.813 1.330 -2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.825 1.125 -1.215 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.035 2.215 -1.253 1.00 0.00 H new ATOM 882 N SER A 68 7.495 -5.303 -5.074 1.00 0.00 N ATOM 883 CA SER A 68 6.938 -6.648 -4.959 1.00 0.00 C ATOM 884 C SER A 68 7.658 -7.451 -3.879 1.00 0.00 C ATOM 885 O SER A 68 7.027 -8.108 -3.053 1.00 0.00 O ATOM 886 CB SER A 68 7.033 -7.378 -6.301 1.00 0.00 C ATOM 887 OG SER A 68 5.914 -7.089 -7.120 1.00 0.00 O ATOM 0 H SER A 68 7.778 -5.043 -6.019 1.00 0.00 H new ATOM 0 HA SER A 68 5.890 -6.554 -4.675 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.949 -7.084 -6.814 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.094 -8.453 -6.130 1.00 0.00 H new ATOM 0 HG SER A 68 6.000 -7.566 -7.972 1.00 0.00 H new ATOM 893 N ASN A 69 8.986 -7.388 -3.891 1.00 0.00 N ATOM 894 CA ASN A 69 9.793 -8.106 -2.910 1.00 0.00 C ATOM 895 C ASN A 69 10.392 -7.141 -1.893 1.00 0.00 C ATOM 896 O ASN A 69 11.514 -7.331 -1.424 1.00 0.00 O ATOM 897 CB ASN A 69 10.909 -8.887 -3.609 1.00 0.00 C ATOM 898 CG ASN A 69 11.730 -8.017 -4.541 1.00 0.00 C ATOM 899 OD1 ASN A 69 11.794 -6.798 -4.375 1.00 0.00 O ATOM 900 ND2 ASN A 69 12.363 -8.641 -5.527 1.00 0.00 N ATOM 0 H ASN A 69 9.525 -6.848 -4.568 1.00 0.00 H new ATOM 0 HA ASN A 69 9.145 -8.807 -2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.564 -9.329 -2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.473 -9.710 -4.175 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.931 -8.109 -6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.281 -9.653 -5.626 1.00 0.00 H new ATOM 907 N LEU A 70 9.632 -6.104 -1.555 1.00 0.00 N ATOM 908 CA LEU A 70 10.083 -5.104 -0.595 1.00 0.00 C ATOM 909 C LEU A 70 9.372 -5.280 0.744 1.00 0.00 C ATOM 910 O LEU A 70 8.229 -5.732 0.795 1.00 0.00 O ATOM 911 CB LEU A 70 9.832 -3.697 -1.138 1.00 0.00 C ATOM 912 CG LEU A 70 10.528 -2.569 -0.369 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.733 -2.058 -1.144 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.553 -1.434 -0.089 1.00 0.00 C ATOM 0 H LEU A 70 8.700 -5.935 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 70 11.153 -5.240 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.158 -3.662 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.758 -3.509 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 70 10.876 -2.967 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.214 -1.257 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.441 -2.873 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.408 -1.677 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.064 -0.642 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.175 -1.039 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.721 -1.808 0.508 1.00 0.00 H new ATOM 926 N ASP A 71 10.057 -4.920 1.824 1.00 0.00 N ATOM 927 CA ASP A 71 9.493 -5.040 3.163 1.00 0.00 C ATOM 928 C ASP A 71 8.633 -3.826 3.502 1.00 0.00 C ATOM 929 O ASP A 71 8.686 -2.804 2.819 1.00 0.00 O ATOM 930 CB ASP A 71 10.609 -5.197 4.198 1.00 0.00 C ATOM 931 CG ASP A 71 10.805 -6.640 4.622 1.00 0.00 C ATOM 932 OD1 ASP A 71 9.858 -7.225 5.188 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.905 -7.183 4.387 1.00 0.00 O ATOM 0 H ASP A 71 11.004 -4.542 1.798 1.00 0.00 H new ATOM 0 HA ASP A 71 8.860 -5.927 3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.541 -4.813 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.376 -4.592 5.074 1.00 0.00 H new ATOM 938 N HIS A 72 7.841 -3.945 4.564 1.00 0.00 N ATOM 939 CA HIS A 72 6.969 -2.858 4.995 1.00 0.00 C ATOM 940 C HIS A 72 7.780 -1.615 5.342 1.00 0.00 C ATOM 941 O HIS A 72 7.527 -0.530 4.819 1.00 0.00 O ATOM 942 CB HIS A 72 6.137 -3.293 6.204 1.00 0.00 C ATOM 943 CG HIS A 72 4.933 -2.437 6.442 1.00 0.00 C ATOM 944 ND1 HIS A 72 3.666 -2.951 6.622 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.806 -1.091 6.531 1.00 0.00 C ATOM 946 CE1 HIS A 72 2.812 -1.960 6.811 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.480 -0.822 6.761 1.00 0.00 N ATOM 0 H HIS A 72 7.786 -4.784 5.142 1.00 0.00 H new ATOM 0 HA HIS A 72 6.299 -2.614 4.170 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.816 -4.325 6.061 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.767 -3.275 7.093 1.00 0.00 H new ATOM 0 HD1 HIS A 72 3.425 -3.942 6.611 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.600 -0.365 6.438 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.750 -2.063 6.978 1.00 0.00 H new ATOM 956 N LYS A 73 8.759 -1.779 6.227 1.00 0.00 N ATOM 957 CA LYS A 73 9.609 -0.668 6.642 1.00 0.00 C ATOM 958 C LYS A 73 10.314 -0.049 5.440 1.00 0.00 C ATOM 959 O LYS A 73 10.451 1.171 5.349 1.00 0.00 O ATOM 960 CB LYS A 73 10.639 -1.142 7.668 1.00 0.00 C ATOM 961 CG LYS A 73 11.490 -2.306 7.185 1.00 0.00 C ATOM 962 CD LYS A 73 12.402 -2.823 8.285 1.00 0.00 C ATOM 963 CE LYS A 73 13.548 -1.862 8.555 1.00 0.00 C ATOM 964 NZ LYS A 73 14.459 -1.742 7.383 1.00 0.00 N ATOM 0 H LYS A 73 8.983 -2.670 6.670 1.00 0.00 H new ATOM 0 HA LYS A 73 8.977 0.092 7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.292 -0.308 7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.121 -1.436 8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.843 -3.112 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.090 -1.990 6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.825 -2.969 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.801 -3.797 8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.147 -0.880 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.114 -2.206 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.373 -1.354 7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.606 -2.681 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.035 -1.107 6.677 1.00 0.00 H new ATOM 978 N GLU A 74 10.756 -0.899 4.518 1.00 0.00 N ATOM 979 CA GLU A 74 11.443 -0.434 3.319 1.00 0.00 C ATOM 980 C GLU A 74 10.531 0.464 2.489 1.00 0.00 C ATOM 981 O GLU A 74 10.952 1.510 1.996 1.00 0.00 O ATOM 982 CB GLU A 74 11.910 -1.624 2.479 1.00 0.00 C ATOM 983 CG GLU A 74 13.366 -2.000 2.712 1.00 0.00 C ATOM 984 CD GLU A 74 14.021 -2.581 1.475 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.369 -3.386 0.780 1.00 0.00 O ATOM 986 OE2 GLU A 74 15.188 -2.229 1.201 1.00 0.00 O ATOM 0 H GLU A 74 10.651 -1.912 4.578 1.00 0.00 H new ATOM 0 HA GLU A 74 12.313 0.145 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.281 -2.485 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.768 -1.391 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.919 -1.117 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.425 -2.724 3.525 1.00 0.00 H new ATOM 993 N ALA A 75 9.277 0.047 2.342 1.00 0.00 N ATOM 994 CA ALA A 75 8.300 0.813 1.577 1.00 0.00 C ATOM 995 C ALA A 75 8.130 2.210 2.158 1.00 0.00 C ATOM 996 O ALA A 75 8.112 3.203 1.430 1.00 0.00 O ATOM 997 CB ALA A 75 6.965 0.086 1.550 1.00 0.00 C ATOM 0 H ALA A 75 8.914 -0.818 2.743 1.00 0.00 H new ATOM 0 HA ALA A 75 8.668 0.912 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.245 0.669 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.093 -0.892 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.599 -0.041 2.569 1.00 0.00 H new ATOM 1003 N VAL A 76 8.007 2.283 3.478 1.00 0.00 N ATOM 1004 CA VAL A 76 7.843 3.558 4.159 1.00 0.00 C ATOM 1005 C VAL A 76 9.120 4.387 4.076 1.00 0.00 C ATOM 1006 O VAL A 76 9.072 5.600 3.885 1.00 0.00 O ATOM 1007 CB VAL A 76 7.464 3.363 5.638 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.172 4.702 6.299 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.271 2.427 5.764 1.00 0.00 C ATOM 0 H VAL A 76 8.018 1.472 4.097 1.00 0.00 H new ATOM 0 HA VAL A 76 7.034 4.086 3.655 1.00 0.00 H new ATOM 0 HB VAL A 76 8.311 2.909 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.906 4.542 7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.057 5.336 6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.344 5.189 5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.017 2.301 6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.418 2.851 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.522 1.458 5.332 1.00 0.00 H new ATOM 1019 N ASN A 77 10.261 3.721 4.219 1.00 0.00 N ATOM 1020 CA ASN A 77 11.554 4.395 4.164 1.00 0.00 C ATOM 1021 C ASN A 77 11.713 5.188 2.869 1.00 0.00 C ATOM 1022 O ASN A 77 11.916 6.401 2.899 1.00 0.00 O ATOM 1023 CB ASN A 77 12.689 3.378 4.295 1.00 0.00 C ATOM 1024 CG ASN A 77 13.818 3.880 5.173 1.00 0.00 C ATOM 1025 OD1 ASN A 77 14.984 3.855 4.780 1.00 0.00 O ATOM 1026 ND2 ASN A 77 13.475 4.338 6.371 1.00 0.00 N ATOM 0 H ASN A 77 10.317 2.714 4.374 1.00 0.00 H new ATOM 0 HA ASN A 77 11.600 5.094 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.295 2.450 4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.079 3.144 3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.191 4.688 7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.495 4.340 6.655 1.00 0.00 H new ATOM 1033 N VAL A 78 11.620 4.499 1.737 1.00 0.00 N ATOM 1034 CA VAL A 78 11.756 5.151 0.440 1.00 0.00 C ATOM 1035 C VAL A 78 10.704 6.241 0.265 1.00 0.00 C ATOM 1036 O VAL A 78 11.009 7.347 -0.184 1.00 0.00 O ATOM 1037 CB VAL A 78 11.637 4.140 -0.717 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.767 3.125 -0.657 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.287 3.443 -0.683 1.00 0.00 C ATOM 0 H VAL A 78 11.452 3.494 1.691 1.00 0.00 H new ATOM 0 HA VAL A 78 12.749 5.599 0.412 1.00 0.00 H new ATOM 0 HB VAL A 78 11.715 4.685 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.666 2.419 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.724 3.641 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.722 2.586 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.223 2.733 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.176 2.912 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.493 4.183 -0.779 1.00 0.00 H new ATOM 1049 N LEU A 79 9.464 5.924 0.629 1.00 0.00 N ATOM 1050 CA LEU A 79 8.369 6.880 0.517 1.00 0.00 C ATOM 1051 C LEU A 79 8.608 8.084 1.424 1.00 0.00 C ATOM 1052 O LEU A 79 8.199 9.203 1.110 1.00 0.00 O ATOM 1053 CB LEU A 79 7.039 6.208 0.873 1.00 0.00 C ATOM 1054 CG LEU A 79 6.247 5.661 -0.318 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.673 6.799 -1.148 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.124 4.763 -1.179 1.00 0.00 C ATOM 0 H LEU A 79 9.194 5.014 1.003 1.00 0.00 H new ATOM 0 HA LEU A 79 8.324 7.229 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.237 5.389 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.416 6.929 1.403 1.00 0.00 H new ATOM 0 HG LEU A 79 5.420 5.065 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.114 6.390 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.008 7.401 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.485 7.423 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.543 4.385 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.973 5.335 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.485 3.926 -0.581 1.00 0.00 H new ATOM 1068 N LYS A 80 9.277 7.846 2.549 1.00 0.00 N ATOM 1069 CA LYS A 80 9.577 8.908 3.504 1.00 0.00 C ATOM 1070 C LYS A 80 10.823 9.684 3.084 1.00 0.00 C ATOM 1071 O LYS A 80 10.942 10.879 3.350 1.00 0.00 O ATOM 1072 CB LYS A 80 9.782 8.322 4.905 1.00 0.00 C ATOM 1073 CG LYS A 80 8.544 8.385 5.784 1.00 0.00 C ATOM 1074 CD LYS A 80 7.327 7.797 5.086 1.00 0.00 C ATOM 1075 CE LYS A 80 6.072 7.945 5.934 1.00 0.00 C ATOM 1076 NZ LYS A 80 6.321 7.608 7.363 1.00 0.00 N ATOM 0 H LYS A 80 9.622 6.926 2.822 1.00 0.00 H new ATOM 0 HA LYS A 80 8.730 9.593 3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.097 7.283 4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.593 8.858 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.729 7.843 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.343 9.421 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.180 8.295 4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.502 6.742 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.704 8.969 5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.290 7.297 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.484 7.135 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.142 6.973 7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.512 8.480 7.897 1.00 0.00 H new ATOM 1090 N SER A 81 11.751 8.991 2.432 1.00 0.00 N ATOM 1091 CA SER A 81 12.992 9.607 1.983 1.00 0.00 C ATOM 1092 C SER A 81 12.732 10.679 0.931 1.00 0.00 C ATOM 1093 O SER A 81 13.010 11.858 1.151 1.00 0.00 O ATOM 1094 CB SER A 81 13.936 8.542 1.418 1.00 0.00 C ATOM 1095 OG SER A 81 15.216 9.088 1.145 1.00 0.00 O ATOM 0 H SER A 81 11.666 8.001 2.203 1.00 0.00 H new ATOM 0 HA SER A 81 13.458 10.084 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.031 7.722 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.513 8.124 0.504 1.00 0.00 H new ATOM 0 HG SER A 81 15.801 8.388 0.787 1.00 0.00 H new ATOM 1101 N SER A 82 12.200 10.266 -0.215 1.00 0.00 N ATOM 1102 CA SER A 82 11.911 11.198 -1.301 1.00 0.00 C ATOM 1103 C SER A 82 10.515 11.795 -1.155 1.00 0.00 C ATOM 1104 O SER A 82 9.549 11.085 -0.874 1.00 0.00 O ATOM 1105 CB SER A 82 12.043 10.494 -2.654 1.00 0.00 C ATOM 1106 OG SER A 82 12.954 11.177 -3.496 1.00 0.00 O ATOM 0 H SER A 82 11.961 9.295 -0.416 1.00 0.00 H new ATOM 0 HA SER A 82 12.636 12.010 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 82 12.381 9.469 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.067 10.440 -3.136 1.00 0.00 H new ATOM 0 HG SER A 82 13.022 10.707 -4.353 1.00 0.00 H new ATOM 1112 N ARG A 83 10.417 13.107 -1.351 1.00 0.00 N ATOM 1113 CA ARG A 83 9.140 13.802 -1.247 1.00 0.00 C ATOM 1114 C ARG A 83 8.310 13.592 -2.509 1.00 0.00 C ATOM 1115 O ARG A 83 7.151 13.183 -2.443 1.00 0.00 O ATOM 1116 CB ARG A 83 9.364 15.299 -1.013 1.00 0.00 C ATOM 1117 CG ARG A 83 10.407 15.598 0.052 1.00 0.00 C ATOM 1118 CD ARG A 83 9.764 15.847 1.408 1.00 0.00 C ATOM 1119 NE ARG A 83 10.663 15.516 2.511 1.00 0.00 N ATOM 1120 CZ ARG A 83 11.749 16.220 2.818 1.00 0.00 C ATOM 1121 NH1 ARG A 83 12.077 17.293 2.110 1.00 0.00 N ATOM 1122 NH2 ARG A 83 12.511 15.850 3.838 1.00 0.00 N ATOM 0 H ARG A 83 11.207 13.709 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 83 8.596 13.389 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.670 15.763 -1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.419 15.759 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.103 14.762 0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.989 16.472 -0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.470 16.894 1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.854 15.253 1.492 1.00 0.00 H new ATOM 0 HE ARG A 83 10.445 14.697 3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.495 17.583 1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.911 17.828 2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.264 15.026 4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.344 16.389 4.074 1.00 0.00 H new ATOM 1136 N SER A 84 8.915 13.868 -3.660 1.00 0.00 N ATOM 1137 CA SER A 84 8.241 13.703 -4.943 1.00 0.00 C ATOM 1138 C SER A 84 8.707 12.423 -5.627 1.00 0.00 C ATOM 1139 O SER A 84 9.627 12.445 -6.444 1.00 0.00 O ATOM 1140 CB SER A 84 8.511 14.908 -5.844 1.00 0.00 C ATOM 1141 OG SER A 84 9.899 15.181 -5.930 1.00 0.00 O ATOM 0 H SER A 84 9.874 14.208 -3.730 1.00 0.00 H new ATOM 0 HA SER A 84 7.168 13.633 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.113 14.717 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.989 15.782 -5.454 1.00 0.00 H new ATOM 0 HG SER A 84 10.377 14.365 -6.187 1.00 0.00 H new ATOM 1147 N LEU A 85 8.077 11.306 -5.279 1.00 0.00 N ATOM 1148 CA LEU A 85 8.438 10.015 -5.851 1.00 0.00 C ATOM 1149 C LEU A 85 7.287 9.421 -6.656 1.00 0.00 C ATOM 1150 O LEU A 85 6.116 9.597 -6.315 1.00 0.00 O ATOM 1151 CB LEU A 85 8.861 9.038 -4.747 1.00 0.00 C ATOM 1152 CG LEU A 85 8.432 9.422 -3.327 1.00 0.00 C ATOM 1153 CD1 LEU A 85 6.938 9.205 -3.142 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.223 8.621 -2.304 1.00 0.00 C ATOM 0 H LEU A 85 7.314 11.269 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 85 9.278 10.178 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.450 8.055 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.947 8.943 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 85 8.642 10.481 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.653 9.483 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.390 9.821 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.699 8.155 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.909 8.903 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.041 7.557 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.286 8.828 -2.423 1.00 0.00 H new ATOM 1166 N THR A 86 7.635 8.705 -7.720 1.00 0.00 N ATOM 1167 CA THR A 86 6.644 8.066 -8.575 1.00 0.00 C ATOM 1168 C THR A 86 6.357 6.650 -8.089 1.00 0.00 C ATOM 1169 O THR A 86 7.247 5.800 -8.069 1.00 0.00 O ATOM 1170 CB THR A 86 7.136 8.031 -10.023 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.751 9.258 -10.374 1.00 0.00 O ATOM 1172 CG2 THR A 86 6.033 7.767 -11.025 1.00 0.00 C ATOM 0 H THR A 86 8.601 8.553 -8.011 1.00 0.00 H new ATOM 0 HA THR A 86 5.723 8.647 -8.529 1.00 0.00 H new ATOM 0 HB THR A 86 7.847 7.206 -10.065 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.079 9.972 -10.377 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.451 7.755 -12.032 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.572 6.803 -10.812 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.281 8.553 -10.954 1.00 0.00 H new ATOM 1180 N ILE A 87 5.114 6.403 -7.688 1.00 0.00 N ATOM 1181 CA ILE A 87 4.724 5.090 -7.192 1.00 0.00 C ATOM 1182 C ILE A 87 3.698 4.428 -8.106 1.00 0.00 C ATOM 1183 O ILE A 87 2.615 4.968 -8.338 1.00 0.00 O ATOM 1184 CB ILE A 87 4.145 5.180 -5.767 1.00 0.00 C ATOM 1185 CG1 ILE A 87 3.032 6.227 -5.708 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.244 5.512 -4.769 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.465 6.432 -4.320 1.00 0.00 C ATOM 0 H ILE A 87 4.363 7.093 -7.697 1.00 0.00 H new ATOM 0 HA ILE A 87 5.628 4.481 -7.175 1.00 0.00 H new ATOM 0 HB ILE A 87 3.720 4.212 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.418 7.177 -6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.227 5.928 -6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.819 5.572 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.006 4.733 -4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.695 6.469 -5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.681 7.188 -4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.048 5.493 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.257 6.762 -3.648 1.00 0.00 H new ATOM 1199 N SER A 88 4.044 3.249 -8.614 1.00 0.00 N ATOM 1200 CA SER A 88 3.153 2.502 -9.494 1.00 0.00 C ATOM 1201 C SER A 88 2.315 1.514 -8.689 1.00 0.00 C ATOM 1202 O SER A 88 2.852 0.644 -8.005 1.00 0.00 O ATOM 1203 CB SER A 88 3.958 1.760 -10.561 1.00 0.00 C ATOM 1204 OG SER A 88 3.307 1.812 -11.818 1.00 0.00 O ATOM 0 H SER A 88 4.936 2.790 -8.431 1.00 0.00 H new ATOM 0 HA SER A 88 2.484 3.208 -9.987 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.951 2.201 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.094 0.721 -10.261 1.00 0.00 H new ATOM 0 HG SER A 88 3.842 1.332 -12.484 1.00 0.00 H new ATOM 1210 N ILE A 89 0.997 1.663 -8.767 1.00 0.00 N ATOM 1211 CA ILE A 89 0.087 0.788 -8.039 1.00 0.00 C ATOM 1212 C ILE A 89 -0.882 0.087 -8.986 1.00 0.00 C ATOM 1213 O ILE A 89 -1.324 0.664 -9.976 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.712 1.581 -6.982 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.676 0.659 -6.222 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.459 2.736 -7.634 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.015 0.461 -6.907 1.00 0.00 C ATOM 0 H ILE A 89 0.536 2.381 -9.326 1.00 0.00 H new ATOM 0 HA ILE A 89 0.695 0.035 -7.537 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.009 1.996 -6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.202 -0.313 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.847 1.070 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.017 3.284 -6.874 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.746 3.406 -8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.150 2.347 -8.381 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.637 -0.203 -6.306 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.513 1.424 -7.017 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.858 0.019 -7.891 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.212 -1.160 -8.667 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.133 -1.939 -9.484 1.00 0.00 C ATOM 1231 C VAL A 90 -3.408 -2.257 -8.707 1.00 0.00 C ATOM 1232 O VAL A 90 -3.383 -3.008 -7.733 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.489 -3.252 -9.963 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.422 -3.998 -10.907 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.151 -2.981 -10.633 1.00 0.00 C ATOM 0 H VAL A 90 -0.855 -1.652 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.381 -1.333 -10.356 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.313 -3.882 -9.091 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.946 -4.923 -11.233 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.353 -4.231 -10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.636 -3.374 -11.775 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.287 -3.922 -10.964 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.300 -2.328 -11.493 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.520 -2.498 -9.923 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.517 -1.672 -9.142 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.805 -1.880 -8.488 1.00 0.00 C ATOM 1247 C ALA A 91 -6.168 -3.361 -8.427 1.00 0.00 C ATOM 1248 O ALA A 91 -5.952 -4.103 -9.385 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.891 -1.099 -9.211 1.00 0.00 C ATOM 0 H ALA A 91 -4.551 -1.047 -9.948 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.724 -1.516 -7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.848 -1.261 -8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.649 -0.036 -9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.956 -1.438 -10.245 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.725 -3.779 -7.289 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.135 -5.169 -7.078 1.00 0.00 C ATOM 1257 C ALA A 92 -5.968 -6.053 -6.633 1.00 0.00 C ATOM 1258 O ALA A 92 -6.180 -7.145 -6.108 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.783 -5.740 -8.332 1.00 0.00 C ATOM 0 H ALA A 92 -6.904 -3.168 -6.492 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.869 -5.165 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.079 -6.773 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.663 -5.150 -8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.071 -5.706 -9.157 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.743 -5.579 -6.838 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.561 -6.338 -6.448 1.00 0.00 C ATOM 1267 C ALA A 93 -3.554 -6.618 -4.946 1.00 0.00 C ATOM 1268 O ALA A 93 -2.855 -7.516 -4.473 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.303 -5.587 -6.854 1.00 0.00 C ATOM 0 H ALA A 93 -4.544 -4.677 -7.270 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.586 -7.297 -6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.425 -6.161 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.297 -5.445 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.284 -4.615 -6.360 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.334 -5.840 -4.199 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.406 -6.009 -2.760 1.00 0.00 C ATOM 1277 C GLY A 94 -5.778 -6.460 -2.293 1.00 0.00 C ATOM 1278 O GLY A 94 -5.900 -7.153 -1.284 1.00 0.00 O ATOM 0 H GLY A 94 -4.920 -5.092 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.661 -6.740 -2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.152 -5.067 -2.274 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.810 -6.049 -3.021 1.00 0.00 N ATOM 1283 CA ARG A 95 -8.186 -6.396 -2.670 1.00 0.00 C ATOM 1284 C ARG A 95 -8.370 -7.906 -2.577 1.00 0.00 C ATOM 1285 O ARG A 95 -9.139 -8.393 -1.748 1.00 0.00 O ATOM 1286 CB ARG A 95 -9.156 -5.825 -3.707 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.217 -4.307 -3.715 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.200 -3.795 -4.756 1.00 0.00 C ATOM 1289 NE ARG A 95 -11.586 -4.040 -4.366 1.00 0.00 N ATOM 1290 CZ ARG A 95 -12.629 -3.396 -4.888 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -12.446 -2.470 -5.820 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -13.857 -3.682 -4.476 1.00 0.00 N ATOM 0 H ARG A 95 -6.722 -5.474 -3.859 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.399 -5.962 -1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.862 -6.173 -4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.154 -6.219 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.510 -3.948 -2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.226 -3.903 -3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.048 -2.726 -4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.001 -4.280 -5.712 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.766 -4.746 -3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.503 -2.248 -6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.248 -1.980 -6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.002 -4.394 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.656 -3.190 -4.875 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.662 -8.647 -3.424 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.759 -10.103 -3.420 1.00 0.00 C ATOM 1308 C GLU A 96 -7.477 -10.659 -2.027 1.00 0.00 C ATOM 1309 O GLU A 96 -8.246 -11.462 -1.499 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.781 -10.705 -4.432 1.00 0.00 C ATOM 1311 CG GLU A 96 -5.346 -10.239 -4.243 1.00 0.00 C ATOM 1312 CD GLU A 96 -4.518 -10.377 -5.507 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -4.844 -11.252 -6.338 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -3.545 -9.612 -5.665 1.00 0.00 O ATOM 0 H GLU A 96 -7.019 -8.266 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.775 -10.377 -3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.814 -11.792 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.108 -10.447 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.345 -9.197 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.882 -10.817 -3.444 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.373 -10.218 -1.434 1.00 0.00 N ATOM 1322 CA LEU A 97 -5.988 -10.662 -0.099 1.00 0.00 C ATOM 1323 C LEU A 97 -6.910 -10.067 0.961 1.00 0.00 C ATOM 1324 O LEU A 97 -7.329 -10.755 1.892 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.538 -10.274 0.191 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.545 -10.605 -0.925 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.182 -10.008 -0.620 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.441 -12.111 -1.113 1.00 0.00 C ATOM 0 H LEU A 97 -5.727 -9.552 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.080 -11.748 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.497 -9.203 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.218 -10.778 1.103 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.910 -10.167 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.489 -10.254 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.270 -8.925 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.808 -10.416 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.731 -12.330 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.099 -12.571 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.419 -12.513 -1.378 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.219 -8.780 0.814 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.088 -8.083 1.758 1.00 0.00 C ATOM 1342 C PHE A 98 -9.377 -8.863 2.003 1.00 0.00 C ATOM 1343 O PHE A 98 -9.842 -8.975 3.137 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.415 -6.681 1.238 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.586 -5.599 1.870 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -7.968 -5.029 3.074 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.425 -5.154 1.260 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -7.207 -4.034 3.658 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -5.659 -4.159 1.839 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.051 -3.599 3.039 1.00 0.00 C ATOM 0 H PHE A 98 -6.879 -8.198 0.048 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.556 -8.000 2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.266 -6.658 0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.469 -6.472 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.871 -5.366 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.114 -5.589 0.322 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.515 -3.597 4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.756 -3.820 1.354 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.454 -2.822 3.493 1.00 0.00 H new ATOM 1360 N MET A 99 -9.951 -9.401 0.931 1.00 0.00 N ATOM 1361 CA MET A 99 -11.185 -10.170 1.030 1.00 0.00 C ATOM 1362 C MET A 99 -10.892 -11.628 1.370 1.00 0.00 C ATOM 1363 O MET A 99 -10.061 -12.270 0.729 1.00 0.00 O ATOM 1364 CB MET A 99 -11.968 -10.088 -0.281 1.00 0.00 C ATOM 1365 CG MET A 99 -11.246 -10.716 -1.462 1.00 0.00 C ATOM 1366 SD MET A 99 -12.058 -10.374 -3.035 1.00 0.00 S ATOM 1367 CE MET A 99 -13.743 -10.845 -2.653 1.00 0.00 C ATOM 0 H MET A 99 -9.581 -9.318 -0.016 1.00 0.00 H new ATOM 0 HA MET A 99 -11.787 -9.742 1.832 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.931 -10.582 -0.151 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.174 -9.042 -0.507 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.223 -10.343 -1.497 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.187 -11.794 -1.315 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.261 -11.120 -3.572 1.00 0.00 H new ATOM 0 HE2 MET A 99 -13.737 -11.696 -1.971 1.00 0.00 H new ATOM 0 HE3 MET A 99 -14.257 -10.007 -2.183 1.00 0.00 H new ATOM 1377 N THR A 100 -11.581 -12.145 2.383 1.00 0.00 N ATOM 1378 CA THR A 100 -11.394 -13.527 2.808 1.00 0.00 C ATOM 1379 C THR A 100 -12.136 -14.486 1.882 1.00 0.00 C ATOM 1380 O THR A 100 -13.011 -14.077 1.119 1.00 0.00 O ATOM 1381 CB THR A 100 -11.878 -13.710 4.248 1.00 0.00 C ATOM 1382 OG1 THR A 100 -11.601 -15.021 4.707 1.00 0.00 O ATOM 1383 CG2 THR A 100 -13.361 -13.465 4.417 1.00 0.00 C ATOM 0 H THR A 100 -12.273 -11.627 2.924 1.00 0.00 H new ATOM 0 HA THR A 100 -10.329 -13.755 2.759 1.00 0.00 H new ATOM 0 HB THR A 100 -11.337 -12.966 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.916 -15.118 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.637 -13.612 5.461 1.00 0.00 H new ATOM 0 HG22 THR A 100 -13.597 -12.443 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 100 -13.919 -14.163 3.793 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -6.135 -10.732 14.205 1.00 0.00 N ATOM 1393 CA THR B 111 -5.634 -9.363 14.207 1.00 0.00 C ATOM 1394 C THR B 111 -5.270 -8.913 12.795 1.00 0.00 C ATOM 1395 O THR B 111 -4.817 -9.715 11.978 1.00 0.00 O ATOM 1396 CB THR B 111 -4.414 -9.246 15.123 1.00 0.00 C ATOM 1397 OG1 THR B 111 -3.611 -10.409 15.040 1.00 0.00 O ATOM 1398 CG2 THR B 111 -4.775 -9.041 16.579 1.00 0.00 C ATOM 0 HA THR B 111 -6.425 -8.714 14.582 1.00 0.00 H new ATOM 0 HB THR B 111 -3.874 -8.367 14.772 1.00 0.00 H new ATOM 0 HG1 THR B 111 -4.182 -11.190 14.882 1.00 0.00 H new ATOM 0 HG21 THR B 111 -3.864 -8.966 17.173 1.00 0.00 H new ATOM 0 HG22 THR B 111 -5.353 -8.123 16.685 1.00 0.00 H new ATOM 0 HG23 THR B 111 -5.368 -9.886 16.929 1.00 0.00 H new ATOM 1406 N PRO B 112 -5.462 -7.617 12.487 1.00 0.00 N ATOM 1407 CA PRO B 112 -5.150 -7.066 11.165 1.00 0.00 C ATOM 1408 C PRO B 112 -3.648 -6.940 10.928 1.00 0.00 C ATOM 1409 O PRO B 112 -2.874 -6.783 11.871 1.00 0.00 O ATOM 1410 CB PRO B 112 -5.804 -5.684 11.197 1.00 0.00 C ATOM 1411 CG PRO B 112 -5.816 -5.307 12.638 1.00 0.00 C ATOM 1412 CD PRO B 112 -5.997 -6.590 13.402 1.00 0.00 C ATOM 0 HA PRO B 112 -5.511 -7.706 10.360 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -5.240 -4.965 10.604 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -6.813 -5.714 10.787 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -4.886 -4.813 12.920 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -6.625 -4.608 12.852 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -5.455 -6.574 14.347 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -7.045 -6.771 13.639 1.00 0.00 H new ATOM 1420 N LEU B 113 -3.247 -7.009 9.665 1.00 0.00 N ATOM 1421 CA LEU B 113 -1.837 -6.902 9.304 1.00 0.00 C ATOM 1422 C LEU B 113 -1.264 -5.559 9.747 1.00 0.00 C ATOM 1423 O LEU B 113 -2.008 -4.632 10.068 1.00 0.00 O ATOM 1424 CB LEU B 113 -1.661 -7.071 7.794 1.00 0.00 C ATOM 1425 CG LEU B 113 -2.351 -8.300 7.193 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -2.959 -7.964 5.841 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -1.365 -9.452 7.066 1.00 0.00 C ATOM 0 H LEU B 113 -3.877 -7.138 8.873 1.00 0.00 H new ATOM 0 HA LEU B 113 -1.295 -7.696 9.817 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -2.044 -6.179 7.297 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.595 -7.127 7.572 1.00 0.00 H new ATOM 0 HG LEU B 113 -3.155 -8.606 7.862 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -3.444 -8.849 5.430 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.695 -7.169 5.961 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.174 -7.632 5.161 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -1.870 -10.318 6.638 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -0.540 -9.155 6.418 1.00 0.00 H new ATOM 0 HD23 LEU B 113 -0.977 -9.709 8.052 1.00 0.00 H new ATOM 1439 N GLU B 114 0.060 -5.462 9.762 1.00 0.00 N ATOM 1440 CA GLU B 114 0.732 -4.231 10.166 1.00 0.00 C ATOM 1441 C GLU B 114 0.305 -3.064 9.281 1.00 0.00 C ATOM 1442 O GLU B 114 0.067 -3.235 8.085 1.00 0.00 O ATOM 1443 CB GLU B 114 2.251 -4.409 10.101 1.00 0.00 C ATOM 1444 CG GLU B 114 2.899 -4.604 11.463 1.00 0.00 C ATOM 1445 CD GLU B 114 3.971 -3.571 11.753 1.00 0.00 C ATOM 1446 OE1 GLU B 114 5.102 -3.729 11.244 1.00 0.00 O ATOM 1447 OE2 GLU B 114 3.680 -2.605 12.488 1.00 0.00 O ATOM 0 H GLU B 114 0.690 -6.220 9.499 1.00 0.00 H new ATOM 0 HA GLU B 114 0.444 -4.008 11.193 1.00 0.00 H new ATOM 0 HB2 GLU B 114 2.481 -5.269 9.472 1.00 0.00 H new ATOM 0 HB3 GLU B 114 2.691 -3.535 9.620 1.00 0.00 H new ATOM 0 HG2 GLU B 114 2.133 -4.553 12.236 1.00 0.00 H new ATOM 0 HG3 GLU B 114 3.337 -5.601 11.513 1.00 0.00 H new ATOM 1454 N ILE B 115 0.206 -1.879 9.876 1.00 0.00 N ATOM 1455 CA ILE B 115 -0.196 -0.687 9.140 1.00 0.00 C ATOM 1456 C ILE B 115 0.684 0.506 9.501 1.00 0.00 C ATOM 1457 O ILE B 115 1.019 0.712 10.667 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.669 -0.327 9.415 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.559 -1.559 9.242 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -2.121 0.794 8.492 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.919 -1.417 9.890 1.00 0.00 C ATOM 0 H ILE B 115 0.399 -1.720 10.865 1.00 0.00 H new ATOM 0 HA ILE B 115 -0.077 -0.915 8.081 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.757 0.019 10.445 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.691 -1.755 8.178 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -2.052 -2.426 9.666 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -3.163 1.037 8.698 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.503 1.676 8.660 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -2.021 0.474 7.455 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.496 -2.327 9.728 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.797 -1.251 10.960 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.445 -0.570 9.449 1.00 0.00 H new ATOM 1473 N THR B 116 1.055 1.287 8.492 1.00 0.00 N ATOM 1474 CA THR B 116 1.895 2.460 8.702 1.00 0.00 C ATOM 1475 C THR B 116 1.336 3.670 7.960 1.00 0.00 C ATOM 1476 O THR B 116 0.808 3.543 6.857 1.00 0.00 O ATOM 1477 CB THR B 116 3.325 2.179 8.236 1.00 0.00 C ATOM 1478 OG1 THR B 116 3.836 1.014 8.858 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.284 3.313 8.531 1.00 0.00 C ATOM 0 H THR B 116 0.787 1.129 7.521 1.00 0.00 H new ATOM 0 HA THR B 116 1.904 2.683 9.769 1.00 0.00 H new ATOM 0 HB THR B 116 3.256 2.053 7.156 1.00 0.00 H new ATOM 0 HG1 THR B 116 3.514 0.221 8.382 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.280 3.049 8.175 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.945 4.217 8.025 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.318 3.490 9.606 1.00 0.00 H new ATOM 1487 N GLU B 117 1.455 4.842 8.575 1.00 0.00 N ATOM 1488 CA GLU B 117 0.960 6.075 7.972 1.00 0.00 C ATOM 1489 C GLU B 117 2.067 6.791 7.205 1.00 0.00 C ATOM 1490 O GLU B 117 3.217 6.825 7.640 1.00 0.00 O ATOM 1491 CB GLU B 117 0.389 7.000 9.048 1.00 0.00 C ATOM 1492 CG GLU B 117 -0.508 6.289 10.048 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.807 7.030 10.299 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -1.793 8.278 10.267 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -2.836 6.362 10.530 1.00 0.00 O ATOM 0 H GLU B 117 1.889 4.964 9.490 1.00 0.00 H new ATOM 0 HA GLU B 117 0.169 5.813 7.270 1.00 0.00 H new ATOM 0 HB2 GLU B 117 1.212 7.473 9.583 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -0.178 7.797 8.567 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -0.731 5.287 9.682 1.00 0.00 H new ATOM 0 HG3 GLU B 117 0.027 6.172 10.991 1.00 0.00 H new ATOM 1502 N LEU B 118 1.709 7.363 6.059 1.00 0.00 N ATOM 1503 CA LEU B 118 2.671 8.081 5.230 1.00 0.00 C ATOM 1504 C LEU B 118 2.137 9.457 4.846 1.00 0.00 C ATOM 1505 O LEU B 118 0.912 9.667 4.956 1.00 0.00 O ATOM 1506 CB LEU B 118 2.989 7.276 3.970 1.00 0.00 C ATOM 1507 CG LEU B 118 3.196 5.773 4.195 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.096 4.970 3.515 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.565 5.340 3.691 1.00 0.00 C ATOM 1510 OXT LEU B 118 2.951 10.313 4.439 1.00 0.00 O ATOM 0 H LEU B 118 0.761 7.343 5.684 1.00 0.00 H new ATOM 0 HA LEU B 118 3.585 8.214 5.809 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.177 7.413 3.256 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.889 7.687 3.512 1.00 0.00 H new ATOM 0 HG LEU B 118 3.147 5.578 5.266 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.262 3.907 3.687 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.128 5.257 3.926 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.109 5.170 2.444 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.693 4.271 3.859 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.644 5.551 2.625 1.00 0.00 H new ATOM 0 HD23 LEU B 118 5.340 5.887 4.228 1.00 0.00 H new TER 1522 LEU B 118