USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 768 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 57 ASN : amide:sc= -0.0202 K(o=-0.02,f=-1.5) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 88 THR OG1 : rot 94:sc= 1.26 USER MOD Set 2.2: A 89 HIS : no HD1:sc= 1.07 K(o=2.3,f=-2.5) USER MOD Set 3.1: A 79 HIS : no HD1:sc= -2.5! C(o=-1.3!,f=-11!) USER MOD Set 3.2: A 87 THR OG1 : rot 14:sc= 1.19 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 30:sc= 0.0649 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -86:sc= 0.931 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 140:sc= -0.0619 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -132:sc= -0.363 (180deg=-1.34) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0.047) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 120:sc= -0.136 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.944 USER MOD Single : A 83 SER OG : rot 160:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -83:sc= -0.714 USER MOD Single : A 94 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.012) USER MOD Single : A 97 ASN : amide:sc= -0.516 K(o=-0.52,f=-2.8!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.129) USER MOD Single : A 117 SER OG : rot 61:sc= 1.27 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN :FLIP amide:sc= -0.0141 F(o=-0.7,f=-0.014) USER MOD Single : A 132 TYR OH : rot -60:sc= 1.21 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 -12.454 25.753 0.607 1.00 0.00 N ATOM 2 CA GLY A 37 -11.940 25.616 -0.743 1.00 0.00 C ATOM 3 C GLY A 37 -10.428 25.699 -0.799 1.00 0.00 C ATOM 4 O GLY A 37 -9.863 26.785 -0.930 1.00 0.00 O ATOM 0 HA2 GLY A 37 -12.264 24.661 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.367 26.397 -1.372 1.00 0.00 H new ATOM 8 N SER A 38 -9.769 24.549 -0.697 1.00 0.00 N ATOM 9 CA SER A 38 -8.312 24.496 -0.730 1.00 0.00 C ATOM 10 C SER A 38 -7.817 24.010 -2.089 1.00 0.00 C ATOM 11 O SER A 38 -8.440 23.155 -2.719 1.00 0.00 O ATOM 12 CB SER A 38 -7.788 23.578 0.375 1.00 0.00 C ATOM 13 OG SER A 38 -6.397 23.352 0.234 1.00 0.00 O ATOM 0 H SER A 38 -10.221 23.641 -0.591 1.00 0.00 H new ATOM 0 HA SER A 38 -7.933 25.504 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.990 24.024 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.319 22.627 0.344 1.00 0.00 H new ATOM 0 HG SER A 38 -6.087 22.764 0.954 1.00 0.00 H new ATOM 19 N SER A 39 -6.693 24.561 -2.534 1.00 0.00 N ATOM 20 CA SER A 39 -6.115 24.187 -3.820 1.00 0.00 C ATOM 21 C SER A 39 -4.659 23.762 -3.658 1.00 0.00 C ATOM 22 O SER A 39 -3.741 24.527 -3.953 1.00 0.00 O ATOM 23 CB SER A 39 -6.212 25.354 -4.805 1.00 0.00 C ATOM 24 OG SER A 39 -6.028 24.911 -6.139 1.00 0.00 O ATOM 0 H SER A 39 -6.164 25.268 -2.023 1.00 0.00 H new ATOM 0 HA SER A 39 -6.680 23.342 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.185 25.835 -4.709 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.460 26.104 -4.560 1.00 0.00 H new ATOM 0 HG SER A 39 -6.096 25.675 -6.750 1.00 0.00 H new ATOM 30 N GLY A 40 -4.456 22.536 -3.186 1.00 0.00 N ATOM 31 CA GLY A 40 -3.110 22.029 -2.992 1.00 0.00 C ATOM 32 C GLY A 40 -2.729 21.940 -1.528 1.00 0.00 C ATOM 33 O GLY A 40 -2.988 22.862 -0.755 1.00 0.00 O ATOM 0 H GLY A 40 -5.200 21.885 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.028 21.041 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.403 22.677 -3.509 1.00 0.00 H new ATOM 37 N SER A 41 -2.113 20.826 -1.145 1.00 0.00 N ATOM 38 CA SER A 41 -1.701 20.617 0.238 1.00 0.00 C ATOM 39 C SER A 41 -0.791 21.747 0.711 1.00 0.00 C ATOM 40 O SER A 41 0.415 21.730 0.469 1.00 0.00 O ATOM 41 CB SER A 41 -0.982 19.275 0.381 1.00 0.00 C ATOM 42 OG SER A 41 -0.808 18.932 1.745 1.00 0.00 O ATOM 0 H SER A 41 -1.888 20.054 -1.773 1.00 0.00 H new ATOM 0 HA SER A 41 -2.596 20.610 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.555 18.496 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.011 19.325 -0.111 1.00 0.00 H new ATOM 0 HG SER A 41 -0.347 18.069 1.809 1.00 0.00 H new ATOM 48 N SER A 42 -1.380 22.729 1.386 1.00 0.00 N ATOM 49 CA SER A 42 -0.625 23.870 1.890 1.00 0.00 C ATOM 50 C SER A 42 0.755 23.437 2.376 1.00 0.00 C ATOM 51 O SER A 42 0.883 22.491 3.153 1.00 0.00 O ATOM 52 CB SER A 42 -1.388 24.552 3.027 1.00 0.00 C ATOM 53 OG SER A 42 -1.722 23.625 4.045 1.00 0.00 O ATOM 0 H SER A 42 -2.378 22.757 1.596 1.00 0.00 H new ATOM 0 HA SER A 42 -0.497 24.579 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.781 25.354 3.446 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.296 25.010 2.636 1.00 0.00 H new ATOM 0 HG SER A 42 -1.042 22.920 4.082 1.00 0.00 H new ATOM 59 N GLY A 43 1.786 24.136 1.912 1.00 0.00 N ATOM 60 CA GLY A 43 3.143 23.810 2.310 1.00 0.00 C ATOM 61 C GLY A 43 3.866 22.975 1.272 1.00 0.00 C ATOM 62 O GLY A 43 4.163 23.452 0.176 1.00 0.00 O ATOM 0 H GLY A 43 1.706 24.922 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.699 24.731 2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.121 23.269 3.256 1.00 0.00 H new ATOM 66 N THR A 44 4.153 21.723 1.617 1.00 0.00 N ATOM 67 CA THR A 44 4.849 20.820 0.708 1.00 0.00 C ATOM 68 C THR A 44 4.085 19.511 0.542 1.00 0.00 C ATOM 69 O THR A 44 3.451 19.029 1.480 1.00 0.00 O ATOM 70 CB THR A 44 6.274 20.511 1.205 1.00 0.00 C ATOM 71 OG1 THR A 44 6.969 19.718 0.237 1.00 0.00 O ATOM 72 CG2 THR A 44 6.235 19.777 2.536 1.00 0.00 C ATOM 0 H THR A 44 3.914 21.312 2.519 1.00 0.00 H new ATOM 0 HA THR A 44 4.910 21.326 -0.255 1.00 0.00 H new ATOM 0 HB THR A 44 6.800 21.456 1.345 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.875 19.527 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.253 19.569 2.867 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.731 20.396 3.278 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.693 18.838 2.418 1.00 0.00 H new ATOM 80 N SER A 45 4.151 18.941 -0.656 1.00 0.00 N ATOM 81 CA SER A 45 3.463 17.688 -0.946 1.00 0.00 C ATOM 82 C SER A 45 4.414 16.503 -0.812 1.00 0.00 C ATOM 83 O SER A 45 5.159 16.183 -1.739 1.00 0.00 O ATOM 84 CB SER A 45 2.867 17.723 -2.354 1.00 0.00 C ATOM 85 OG SER A 45 1.858 18.712 -2.457 1.00 0.00 O ATOM 0 H SER A 45 4.674 19.327 -1.442 1.00 0.00 H new ATOM 0 HA SER A 45 2.657 17.568 -0.222 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.654 17.925 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.450 16.747 -2.600 1.00 0.00 H new ATOM 0 HG SER A 45 1.495 18.715 -3.367 1.00 0.00 H new ATOM 91 N SER A 46 4.383 15.854 0.347 1.00 0.00 N ATOM 92 CA SER A 46 5.244 14.706 0.605 1.00 0.00 C ATOM 93 C SER A 46 5.285 13.775 -0.604 1.00 0.00 C ATOM 94 O SER A 46 6.350 13.305 -1.005 1.00 0.00 O ATOM 95 CB SER A 46 4.755 13.941 1.836 1.00 0.00 C ATOM 96 OG SER A 46 4.918 14.712 3.014 1.00 0.00 O ATOM 0 H SER A 46 3.770 16.104 1.123 1.00 0.00 H new ATOM 0 HA SER A 46 6.253 15.074 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.704 13.679 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.307 13.006 1.930 1.00 0.00 H new ATOM 0 HG SER A 46 4.596 14.201 3.786 1.00 0.00 H new ATOM 102 N THR A 47 4.116 13.513 -1.180 1.00 0.00 N ATOM 103 CA THR A 47 4.016 12.639 -2.342 1.00 0.00 C ATOM 104 C THR A 47 5.017 11.492 -2.255 1.00 0.00 C ATOM 105 O THR A 47 5.763 11.235 -3.200 1.00 0.00 O ATOM 106 CB THR A 47 4.253 13.414 -3.651 1.00 0.00 C ATOM 107 OG1 THR A 47 5.360 14.309 -3.497 1.00 0.00 O ATOM 108 CG2 THR A 47 3.012 14.199 -4.048 1.00 0.00 C ATOM 0 H THR A 47 3.225 13.894 -0.861 1.00 0.00 H new ATOM 0 HA THR A 47 3.004 12.235 -2.347 1.00 0.00 H new ATOM 0 HB THR A 47 4.475 12.694 -4.438 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.045 15.157 -3.119 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.204 14.738 -4.976 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.178 13.512 -4.193 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.764 14.910 -3.260 1.00 0.00 H new ATOM 116 N ILE A 48 5.028 10.808 -1.116 1.00 0.00 N ATOM 117 CA ILE A 48 5.937 9.687 -0.908 1.00 0.00 C ATOM 118 C ILE A 48 5.398 8.415 -1.553 1.00 0.00 C ATOM 119 O ILE A 48 6.133 7.447 -1.750 1.00 0.00 O ATOM 120 CB ILE A 48 6.175 9.427 0.591 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.842 9.377 1.341 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.079 10.502 1.178 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.917 8.636 2.658 1.00 0.00 C ATOM 0 H ILE A 48 4.418 11.010 -0.324 1.00 0.00 H new ATOM 0 HA ILE A 48 6.883 9.957 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 48 6.670 8.462 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.500 10.395 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.095 8.900 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.238 10.305 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.038 10.494 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.609 11.478 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.937 8.640 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.229 7.607 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.640 9.126 3.311 1.00 0.00 H new ATOM 135 N PHE A 49 4.111 8.425 -1.883 1.00 0.00 N ATOM 136 CA PHE A 49 3.473 7.272 -2.508 1.00 0.00 C ATOM 137 C PHE A 49 3.116 7.569 -3.962 1.00 0.00 C ATOM 138 O PHE A 49 2.282 6.889 -4.559 1.00 0.00 O ATOM 139 CB PHE A 49 2.215 6.875 -1.733 1.00 0.00 C ATOM 140 CG PHE A 49 2.506 6.167 -0.441 1.00 0.00 C ATOM 141 CD1 PHE A 49 2.857 4.827 -0.434 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.427 6.842 0.767 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.126 4.172 0.754 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.694 6.192 1.957 1.00 0.00 C ATOM 145 CZ PHE A 49 3.043 4.856 1.951 1.00 0.00 C ATOM 0 H PHE A 49 3.489 9.219 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 49 4.180 6.443 -2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.629 7.770 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.599 6.231 -2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.921 4.287 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.154 7.887 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.400 3.127 0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.630 6.729 2.892 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.251 4.347 2.881 1.00 0.00 H new ATOM 155 N SER A 50 3.754 8.591 -4.524 1.00 0.00 N ATOM 156 CA SER A 50 3.501 8.982 -5.906 1.00 0.00 C ATOM 157 C SER A 50 3.923 7.877 -6.870 1.00 0.00 C ATOM 158 O SER A 50 5.110 7.590 -7.020 1.00 0.00 O ATOM 159 CB SER A 50 4.247 10.276 -6.237 1.00 0.00 C ATOM 160 OG SER A 50 3.569 11.014 -7.238 1.00 0.00 O ATOM 0 H SER A 50 4.449 9.163 -4.044 1.00 0.00 H new ATOM 0 HA SER A 50 2.430 9.149 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.345 10.883 -5.337 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.256 10.041 -6.575 1.00 0.00 H new ATOM 0 HG SER A 50 4.065 11.837 -7.430 1.00 0.00 H new ATOM 166 N GLY A 51 2.942 7.261 -7.521 1.00 0.00 N ATOM 167 CA GLY A 51 3.231 6.194 -8.462 1.00 0.00 C ATOM 168 C GLY A 51 3.224 4.827 -7.808 1.00 0.00 C ATOM 169 O GLY A 51 3.721 3.855 -8.378 1.00 0.00 O ATOM 0 H GLY A 51 1.952 7.481 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.495 6.213 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.205 6.370 -8.918 1.00 0.00 H new ATOM 173 N VAL A 52 2.662 4.750 -6.606 1.00 0.00 N ATOM 174 CA VAL A 52 2.593 3.491 -5.873 1.00 0.00 C ATOM 175 C VAL A 52 1.152 3.017 -5.728 1.00 0.00 C ATOM 176 O VAL A 52 0.356 3.626 -5.014 1.00 0.00 O ATOM 177 CB VAL A 52 3.222 3.622 -4.473 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.783 2.471 -3.581 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.739 3.680 -4.574 1.00 0.00 C ATOM 0 H VAL A 52 2.248 5.545 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 52 3.157 2.758 -6.450 1.00 0.00 H new ATOM 0 HB VAL A 52 2.875 4.552 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.237 2.580 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.697 2.480 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.099 1.527 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.167 3.773 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.108 2.768 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.031 4.541 -5.175 1.00 0.00 H new ATOM 189 N ALA A 53 0.822 1.926 -6.411 1.00 0.00 N ATOM 190 CA ALA A 53 -0.524 1.368 -6.357 1.00 0.00 C ATOM 191 C ALA A 53 -0.587 0.179 -5.403 1.00 0.00 C ATOM 192 O ALA A 53 0.308 -0.666 -5.391 1.00 0.00 O ATOM 193 CB ALA A 53 -0.981 0.956 -7.748 1.00 0.00 C ATOM 0 H ALA A 53 1.468 1.411 -7.008 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.196 2.139 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.987 0.541 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.983 1.827 -8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.300 0.204 -8.147 1.00 0.00 H new ATOM 199 N ILE A 54 -1.649 0.122 -4.607 1.00 0.00 N ATOM 200 CA ILE A 54 -1.828 -0.964 -3.651 1.00 0.00 C ATOM 201 C ILE A 54 -3.197 -1.617 -3.811 1.00 0.00 C ATOM 202 O ILE A 54 -4.136 -1.000 -4.314 1.00 0.00 O ATOM 203 CB ILE A 54 -1.675 -0.468 -2.201 1.00 0.00 C ATOM 204 CG1 ILE A 54 -2.800 0.509 -1.851 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.316 0.188 -2.006 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.019 0.670 -0.363 1.00 0.00 C ATOM 0 H ILE A 54 -2.398 0.814 -4.605 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.051 -1.699 -3.859 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.742 -1.325 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.572 1.483 -2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.726 0.164 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.223 0.533 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.471 -0.535 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.221 1.037 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.831 1.376 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.278 -0.295 0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.106 1.044 0.101 1.00 0.00 H new ATOM 218 N TYR A 55 -3.303 -2.869 -3.378 1.00 0.00 N ATOM 219 CA TYR A 55 -4.557 -3.607 -3.474 1.00 0.00 C ATOM 220 C TYR A 55 -4.751 -4.510 -2.260 1.00 0.00 C ATOM 221 O TYR A 55 -4.003 -5.465 -2.056 1.00 0.00 O ATOM 222 CB TYR A 55 -4.584 -4.442 -4.755 1.00 0.00 C ATOM 223 CG TYR A 55 -5.699 -5.464 -4.788 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.012 -5.081 -5.033 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.439 -6.812 -4.573 1.00 0.00 C ATOM 226 CE1 TYR A 55 -8.033 -6.010 -5.063 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.454 -7.748 -4.602 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.750 -7.342 -4.847 1.00 0.00 C ATOM 229 OH TYR A 55 -8.764 -8.272 -4.876 1.00 0.00 O ATOM 0 H TYR A 55 -2.536 -3.393 -2.957 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.374 -2.886 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.688 -3.775 -5.611 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.629 -4.955 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.238 -4.039 -5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.426 -7.133 -4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.048 -5.695 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.235 -8.792 -4.434 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.395 -9.164 -4.706 1.00 0.00 H new ATOM 239 N VAL A 56 -5.764 -4.200 -1.456 1.00 0.00 N ATOM 240 CA VAL A 56 -6.060 -4.983 -0.263 1.00 0.00 C ATOM 241 C VAL A 56 -6.761 -6.288 -0.622 1.00 0.00 C ATOM 242 O VAL A 56 -7.613 -6.323 -1.508 1.00 0.00 O ATOM 243 CB VAL A 56 -6.942 -4.193 0.722 1.00 0.00 C ATOM 244 CG1 VAL A 56 -7.056 -4.931 2.047 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.386 -2.792 0.929 1.00 0.00 C ATOM 0 H VAL A 56 -6.393 -3.412 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.106 -5.206 0.214 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.941 -4.103 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.683 -4.358 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.503 -5.911 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.064 -5.054 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.021 -2.248 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.376 -2.857 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.362 -2.265 -0.025 1.00 0.00 H new ATOM 255 N ASN A 57 -6.397 -7.360 0.074 1.00 0.00 N ATOM 256 CA ASN A 57 -6.991 -8.669 -0.172 1.00 0.00 C ATOM 257 C ASN A 57 -7.272 -9.394 1.141 1.00 0.00 C ATOM 258 O ASN A 57 -6.352 -9.754 1.873 1.00 0.00 O ATOM 259 CB ASN A 57 -6.066 -9.517 -1.047 1.00 0.00 C ATOM 260 CG ASN A 57 -6.823 -10.555 -1.852 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.851 -11.069 -1.412 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.315 -10.869 -3.038 1.00 0.00 N ATOM 0 H ASN A 57 -5.694 -7.348 0.813 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.936 -8.518 -0.694 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.515 -8.866 -1.726 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.330 -10.016 -0.416 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.780 -11.562 -3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.460 -10.417 -3.362 1.00 0.00 H new ATOM 269 N GLY A 58 -8.553 -9.605 1.432 1.00 0.00 N ATOM 270 CA GLY A 58 -8.933 -10.286 2.656 1.00 0.00 C ATOM 271 C GLY A 58 -8.998 -9.348 3.845 1.00 0.00 C ATOM 272 O GLY A 58 -9.525 -8.240 3.743 1.00 0.00 O ATOM 0 H GLY A 58 -9.333 -9.316 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.905 -10.760 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.217 -11.081 2.863 1.00 0.00 H new ATOM 276 N TYR A 59 -8.463 -9.793 4.977 1.00 0.00 N ATOM 277 CA TYR A 59 -8.466 -8.987 6.192 1.00 0.00 C ATOM 278 C TYR A 59 -7.090 -8.378 6.445 1.00 0.00 C ATOM 279 O TYR A 59 -6.067 -9.055 6.334 1.00 0.00 O ATOM 280 CB TYR A 59 -8.889 -9.837 7.391 1.00 0.00 C ATOM 281 CG TYR A 59 -8.763 -9.119 8.716 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.522 -8.935 9.314 1.00 0.00 C ATOM 283 CD2 TYR A 59 -9.884 -8.626 9.371 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.402 -8.281 10.524 1.00 0.00 C ATOM 285 CE2 TYR A 59 -9.774 -7.969 10.581 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.531 -7.799 11.154 1.00 0.00 C ATOM 287 OH TYR A 59 -8.416 -7.147 12.360 1.00 0.00 O ATOM 0 H TYR A 59 -8.022 -10.707 5.078 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.183 -8.177 6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.923 -10.153 7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.281 -10.741 7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.636 -9.310 8.824 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.859 -8.759 8.926 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.430 -8.147 10.975 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.656 -7.591 11.076 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.304 -6.870 12.668 1.00 0.00 H new ATOM 297 N THR A 60 -7.073 -7.094 6.788 1.00 0.00 N ATOM 298 CA THR A 60 -5.824 -6.391 7.057 1.00 0.00 C ATOM 299 C THR A 60 -6.015 -5.323 8.128 1.00 0.00 C ATOM 300 O THR A 60 -7.135 -4.885 8.389 1.00 0.00 O ATOM 301 CB THR A 60 -5.265 -5.731 5.783 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.338 -5.212 4.989 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.459 -6.729 4.966 1.00 0.00 C ATOM 0 H THR A 60 -7.910 -6.519 6.886 1.00 0.00 H new ATOM 0 HA THR A 60 -5.112 -7.136 7.413 1.00 0.00 H new ATOM 0 HB THR A 60 -4.607 -4.915 6.082 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.078 -4.344 4.615 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.074 -6.240 4.071 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.626 -7.100 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.098 -7.563 4.677 1.00 0.00 H new ATOM 311 N ASP A 61 -4.914 -4.908 8.745 1.00 0.00 N ATOM 312 CA ASP A 61 -4.959 -3.889 9.787 1.00 0.00 C ATOM 313 C ASP A 61 -4.028 -2.728 9.453 1.00 0.00 C ATOM 314 O ASP A 61 -2.810 -2.881 9.366 1.00 0.00 O ATOM 315 CB ASP A 61 -4.575 -4.493 11.139 1.00 0.00 C ATOM 316 CG ASP A 61 -3.077 -4.488 11.370 1.00 0.00 C ATOM 317 OD1 ASP A 61 -2.407 -5.455 10.950 1.00 0.00 O ATOM 318 OD2 ASP A 61 -2.573 -3.516 11.972 1.00 0.00 O ATOM 0 H ASP A 61 -3.979 -5.262 8.541 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.979 -3.509 9.844 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.065 -3.933 11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.945 -5.517 11.195 1.00 0.00 H new ATOM 323 N PRO A 62 -4.614 -1.536 9.258 1.00 0.00 N ATOM 324 CA PRO A 62 -6.063 -1.341 9.358 1.00 0.00 C ATOM 325 C PRO A 62 -6.818 -2.009 8.214 1.00 0.00 C ATOM 326 O PRO A 62 -6.259 -2.824 7.480 1.00 0.00 O ATOM 327 CB PRO A 62 -6.222 0.180 9.288 1.00 0.00 C ATOM 328 CG PRO A 62 -5.017 0.653 8.551 1.00 0.00 C ATOM 329 CD PRO A 62 -3.906 -0.289 8.926 1.00 0.00 C ATOM 0 HA PRO A 62 -6.472 -1.785 10.266 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.139 0.459 8.768 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.274 0.619 10.284 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.189 0.644 7.475 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.769 1.678 8.826 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.205 -0.432 8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.331 0.085 9.773 1.00 0.00 H new ATOM 337 N SER A 63 -8.092 -1.658 8.066 1.00 0.00 N ATOM 338 CA SER A 63 -8.924 -2.226 7.013 1.00 0.00 C ATOM 339 C SER A 63 -8.582 -1.611 5.659 1.00 0.00 C ATOM 340 O SER A 63 -7.875 -0.607 5.582 1.00 0.00 O ATOM 341 CB SER A 63 -10.405 -2.003 7.328 1.00 0.00 C ATOM 342 OG SER A 63 -10.774 -2.653 8.532 1.00 0.00 O ATOM 0 H SER A 63 -8.570 -0.983 8.663 1.00 0.00 H new ATOM 0 HA SER A 63 -8.727 -3.297 6.966 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.605 -0.935 7.412 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.015 -2.378 6.507 1.00 0.00 H new ATOM 0 HG SER A 63 -11.724 -2.494 8.712 1.00 0.00 H new ATOM 348 N ALA A 64 -9.091 -2.221 4.594 1.00 0.00 N ATOM 349 CA ALA A 64 -8.842 -1.733 3.243 1.00 0.00 C ATOM 350 C ALA A 64 -9.355 -0.308 3.070 1.00 0.00 C ATOM 351 O ALA A 64 -8.684 0.535 2.476 1.00 0.00 O ATOM 352 CB ALA A 64 -9.489 -2.657 2.221 1.00 0.00 C ATOM 0 H ALA A 64 -9.678 -3.054 4.640 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.764 -1.725 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.295 -2.281 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.071 -3.659 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.565 -2.694 2.393 1.00 0.00 H new ATOM 358 N GLU A 65 -10.549 -0.046 3.593 1.00 0.00 N ATOM 359 CA GLU A 65 -11.152 1.278 3.494 1.00 0.00 C ATOM 360 C GLU A 65 -10.226 2.342 4.075 1.00 0.00 C ATOM 361 O GLU A 65 -9.910 3.331 3.415 1.00 0.00 O ATOM 362 CB GLU A 65 -12.498 1.305 4.222 1.00 0.00 C ATOM 363 CG GLU A 65 -13.086 2.699 4.361 1.00 0.00 C ATOM 364 CD GLU A 65 -14.362 2.715 5.181 1.00 0.00 C ATOM 365 OE1 GLU A 65 -15.198 1.806 4.996 1.00 0.00 O ATOM 366 OE2 GLU A 65 -14.525 3.637 6.007 1.00 0.00 O ATOM 0 H GLU A 65 -11.117 -0.733 4.089 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.313 1.498 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.205 0.673 3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.374 0.871 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.351 3.355 4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.290 3.104 3.370 1.00 0.00 H new ATOM 373 N GLU A 66 -9.794 2.130 5.314 1.00 0.00 N ATOM 374 CA GLU A 66 -8.904 3.072 5.984 1.00 0.00 C ATOM 375 C GLU A 66 -7.684 3.376 5.120 1.00 0.00 C ATOM 376 O GLU A 66 -7.339 4.538 4.899 1.00 0.00 O ATOM 377 CB GLU A 66 -8.459 2.513 7.337 1.00 0.00 C ATOM 378 CG GLU A 66 -9.535 2.580 8.407 1.00 0.00 C ATOM 379 CD GLU A 66 -10.537 1.448 8.299 1.00 0.00 C ATOM 380 OE1 GLU A 66 -11.387 1.492 7.385 1.00 0.00 O ATOM 381 OE2 GLU A 66 -10.472 0.517 9.128 1.00 0.00 O ATOM 0 H GLU A 66 -10.045 1.315 5.874 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.453 4.000 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.151 1.475 7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.584 3.066 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.066 2.552 9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.059 3.533 8.330 1.00 0.00 H new ATOM 388 N LEU A 67 -7.033 2.325 4.635 1.00 0.00 N ATOM 389 CA LEU A 67 -5.850 2.478 3.795 1.00 0.00 C ATOM 390 C LEU A 67 -6.198 3.180 2.487 1.00 0.00 C ATOM 391 O LEU A 67 -5.442 4.022 2.002 1.00 0.00 O ATOM 392 CB LEU A 67 -5.227 1.112 3.504 1.00 0.00 C ATOM 393 CG LEU A 67 -4.817 0.287 4.724 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.815 -1.197 4.389 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.450 0.724 5.229 1.00 0.00 C ATOM 0 H LEU A 67 -7.304 1.357 4.809 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.129 3.092 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.937 0.529 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.346 1.262 2.880 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.546 0.458 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.521 -1.768 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.814 -1.501 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.109 -1.387 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.175 0.126 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.709 0.583 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.485 1.777 5.510 1.00 0.00 H new ATOM 407 N ARG A 68 -7.348 2.830 1.921 1.00 0.00 N ATOM 408 CA ARG A 68 -7.797 3.427 0.669 1.00 0.00 C ATOM 409 C ARG A 68 -7.724 4.950 0.736 1.00 0.00 C ATOM 410 O ARG A 68 -7.460 5.615 -0.266 1.00 0.00 O ATOM 411 CB ARG A 68 -9.228 2.988 0.354 1.00 0.00 C ATOM 412 CG ARG A 68 -9.841 3.714 -0.833 1.00 0.00 C ATOM 413 CD ARG A 68 -11.061 2.979 -1.366 1.00 0.00 C ATOM 414 NE ARG A 68 -11.590 3.603 -2.576 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.704 3.206 -3.181 1.00 0.00 C ATOM 416 NH1 ARG A 68 -13.403 2.192 -2.690 1.00 0.00 N ATOM 417 NH2 ARG A 68 -13.121 3.823 -4.279 1.00 0.00 N ATOM 0 H ARG A 68 -7.986 2.136 2.310 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.135 3.083 -0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.235 1.916 0.156 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.852 3.154 1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.124 4.724 -0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.098 3.811 -1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.796 1.943 -1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.836 2.959 -0.600 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.076 4.387 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.086 1.715 -1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.258 1.889 -3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.586 4.603 -4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.977 3.517 -4.742 1.00 0.00 H new ATOM 431 N LYS A 69 -7.960 5.497 1.924 1.00 0.00 N ATOM 432 CA LYS A 69 -7.920 6.940 2.124 1.00 0.00 C ATOM 433 C LYS A 69 -6.482 7.433 2.253 1.00 0.00 C ATOM 434 O LYS A 69 -6.068 8.358 1.554 1.00 0.00 O ATOM 435 CB LYS A 69 -8.716 7.325 3.374 1.00 0.00 C ATOM 436 CG LYS A 69 -9.927 6.441 3.620 1.00 0.00 C ATOM 437 CD LYS A 69 -10.792 6.322 2.377 1.00 0.00 C ATOM 438 CE LYS A 69 -12.250 6.079 2.734 1.00 0.00 C ATOM 439 NZ LYS A 69 -13.072 5.770 1.531 1.00 0.00 N ATOM 0 H LYS A 69 -8.181 4.961 2.763 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.371 7.414 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.059 7.277 4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.045 8.360 3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.598 5.450 3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.519 6.852 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.708 7.234 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.427 5.504 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.318 5.253 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.653 6.960 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.059 5.611 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.028 6.569 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.703 4.914 1.069 1.00 0.00 H new ATOM 453 N LEU A 70 -5.726 6.808 3.148 1.00 0.00 N ATOM 454 CA LEU A 70 -4.333 7.182 3.367 1.00 0.00 C ATOM 455 C LEU A 70 -3.637 7.487 2.045 1.00 0.00 C ATOM 456 O LEU A 70 -3.148 8.596 1.831 1.00 0.00 O ATOM 457 CB LEU A 70 -3.593 6.061 4.100 1.00 0.00 C ATOM 458 CG LEU A 70 -3.987 5.838 5.560 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.674 4.413 5.986 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.276 6.836 6.463 1.00 0.00 C ATOM 0 H LEU A 70 -6.054 6.040 3.734 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.316 8.082 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.753 5.131 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.524 6.273 4.061 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.062 5.995 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.961 4.273 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.230 3.716 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.606 4.227 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.569 6.662 7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.198 6.712 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.552 7.850 6.173 1.00 0.00 H new ATOM 472 N MET A 71 -3.598 6.496 1.160 1.00 0.00 N ATOM 473 CA MET A 71 -2.964 6.660 -0.143 1.00 0.00 C ATOM 474 C MET A 71 -3.352 7.995 -0.772 1.00 0.00 C ATOM 475 O MET A 71 -2.530 8.905 -0.875 1.00 0.00 O ATOM 476 CB MET A 71 -3.358 5.512 -1.074 1.00 0.00 C ATOM 477 CG MET A 71 -3.401 4.158 -0.384 1.00 0.00 C ATOM 478 SD MET A 71 -2.123 3.979 0.875 1.00 0.00 S ATOM 479 CE MET A 71 -0.645 4.230 -0.105 1.00 0.00 C ATOM 0 H MET A 71 -3.998 5.572 1.321 1.00 0.00 H new ATOM 0 HA MET A 71 -1.884 6.646 0.002 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.337 5.723 -1.504 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.650 5.467 -1.902 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.380 4.020 0.075 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.284 3.371 -1.129 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.076 3.443 0.116 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.901 4.200 -1.164 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.209 5.200 0.136 1.00 0.00 H new ATOM 489 N MET A 72 -4.609 8.104 -1.190 1.00 0.00 N ATOM 490 CA MET A 72 -5.105 9.329 -1.807 1.00 0.00 C ATOM 491 C MET A 72 -4.750 10.547 -0.961 1.00 0.00 C ATOM 492 O MET A 72 -4.033 11.442 -1.412 1.00 0.00 O ATOM 493 CB MET A 72 -6.621 9.251 -1.999 1.00 0.00 C ATOM 494 CG MET A 72 -7.070 8.045 -2.807 1.00 0.00 C ATOM 495 SD MET A 72 -6.997 8.334 -4.586 1.00 0.00 S ATOM 496 CE MET A 72 -8.723 8.647 -4.949 1.00 0.00 C ATOM 0 H MET A 72 -5.302 7.360 -1.113 1.00 0.00 H new ATOM 0 HA MET A 72 -4.627 9.434 -2.781 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.102 9.222 -1.021 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.963 10.159 -2.496 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.442 7.190 -2.556 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.091 7.784 -2.527 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.841 8.844 -6.015 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.317 7.776 -4.673 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.063 9.513 -4.381 1.00 0.00 H new ATOM 506 N LEU A 73 -5.255 10.576 0.267 1.00 0.00 N ATOM 507 CA LEU A 73 -4.991 11.685 1.177 1.00 0.00 C ATOM 508 C LEU A 73 -3.519 12.084 1.137 1.00 0.00 C ATOM 509 O LEU A 73 -3.160 13.210 1.484 1.00 0.00 O ATOM 510 CB LEU A 73 -5.389 11.306 2.605 1.00 0.00 C ATOM 511 CG LEU A 73 -6.889 11.167 2.869 1.00 0.00 C ATOM 512 CD1 LEU A 73 -7.140 10.232 4.042 1.00 0.00 C ATOM 513 CD2 LEU A 73 -7.513 12.530 3.127 1.00 0.00 C ATOM 0 H LEU A 73 -5.850 9.844 0.656 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.589 12.537 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.907 10.361 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.989 12.059 3.284 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.357 10.738 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.213 10.145 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.728 9.248 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.660 10.632 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.581 12.412 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.042 12.987 3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.365 13.169 2.256 1.00 0.00 H new ATOM 525 N HIS A 74 -2.671 11.154 0.709 1.00 0.00 N ATOM 526 CA HIS A 74 -1.237 11.410 0.620 1.00 0.00 C ATOM 527 C HIS A 74 -0.799 11.544 -0.835 1.00 0.00 C ATOM 528 O HIS A 74 0.260 12.099 -1.125 1.00 0.00 O ATOM 529 CB HIS A 74 -0.454 10.286 1.299 1.00 0.00 C ATOM 530 CG HIS A 74 -0.375 10.426 2.788 1.00 0.00 C ATOM 531 ND1 HIS A 74 0.682 11.036 3.431 1.00 0.00 N ATOM 532 CD2 HIS A 74 -1.229 10.032 3.762 1.00 0.00 C ATOM 533 CE1 HIS A 74 0.475 11.010 4.736 1.00 0.00 C ATOM 534 NE2 HIS A 74 -0.678 10.407 4.963 1.00 0.00 N ATOM 0 H HIS A 74 -2.951 10.217 0.419 1.00 0.00 H new ATOM 0 HA HIS A 74 -1.028 12.349 1.132 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.921 9.331 1.056 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.556 10.260 0.891 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.169 9.518 3.621 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.136 11.413 5.489 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.092 10.246 5.881 1.00 0.00 H new ATOM 542 N GLY A 75 -1.620 11.032 -1.746 1.00 0.00 N ATOM 543 CA GLY A 75 -1.299 11.104 -3.159 1.00 0.00 C ATOM 544 C GLY A 75 -0.913 9.757 -3.736 1.00 0.00 C ATOM 545 O GLY A 75 0.014 9.659 -4.538 1.00 0.00 O ATOM 0 H GLY A 75 -2.503 10.568 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.158 11.496 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.479 11.807 -3.307 1.00 0.00 H new ATOM 549 N GLY A 76 -1.627 8.712 -3.325 1.00 0.00 N ATOM 550 CA GLY A 76 -1.337 7.377 -3.815 1.00 0.00 C ATOM 551 C GLY A 76 -2.445 6.829 -4.693 1.00 0.00 C ATOM 552 O GLY A 76 -3.458 7.493 -4.911 1.00 0.00 O ATOM 0 H GLY A 76 -2.400 8.767 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.405 7.395 -4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.184 6.708 -2.968 1.00 0.00 H new ATOM 556 N GLN A 77 -2.251 5.616 -5.198 1.00 0.00 N ATOM 557 CA GLN A 77 -3.242 4.980 -6.060 1.00 0.00 C ATOM 558 C GLN A 77 -3.839 3.749 -5.386 1.00 0.00 C ATOM 559 O GLN A 77 -3.127 2.967 -4.756 1.00 0.00 O ATOM 560 CB GLN A 77 -2.610 4.590 -7.397 1.00 0.00 C ATOM 561 CG GLN A 77 -2.181 5.781 -8.238 1.00 0.00 C ATOM 562 CD GLN A 77 -1.650 5.373 -9.598 1.00 0.00 C ATOM 563 OE1 GLN A 77 -0.441 5.246 -9.794 1.00 0.00 O ATOM 564 NE2 GLN A 77 -2.554 5.166 -10.549 1.00 0.00 N ATOM 0 H GLN A 77 -1.418 5.053 -5.026 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.043 5.696 -6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.742 3.958 -7.208 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.323 3.992 -7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.029 6.453 -8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.412 6.340 -7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.546 5.282 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.256 4.891 -11.485 1.00 0.00 H new ATOM 573 N TYR A 78 -5.149 3.583 -5.524 1.00 0.00 N ATOM 574 CA TYR A 78 -5.843 2.448 -4.927 1.00 0.00 C ATOM 575 C TYR A 78 -6.800 1.806 -5.927 1.00 0.00 C ATOM 576 O TYR A 78 -7.788 2.417 -6.338 1.00 0.00 O ATOM 577 CB TYR A 78 -6.611 2.891 -3.680 1.00 0.00 C ATOM 578 CG TYR A 78 -7.330 1.761 -2.979 1.00 0.00 C ATOM 579 CD1 TYR A 78 -8.418 1.130 -3.570 1.00 0.00 C ATOM 580 CD2 TYR A 78 -6.921 1.323 -1.725 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.079 0.098 -2.932 1.00 0.00 C ATOM 582 CE2 TYR A 78 -7.574 0.291 -1.081 1.00 0.00 C ATOM 583 CZ TYR A 78 -8.653 -0.318 -1.688 1.00 0.00 C ATOM 584 OH TYR A 78 -9.307 -1.347 -1.050 1.00 0.00 O ATOM 0 H TYR A 78 -5.752 4.220 -6.044 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.096 1.708 -4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.916 3.357 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.337 3.653 -3.962 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.753 1.452 -4.545 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.078 1.798 -1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.924 -0.380 -3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.242 -0.038 -0.107 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.680 -2.082 -0.887 1.00 0.00 H new ATOM 594 N HIS A 79 -6.501 0.570 -6.314 1.00 0.00 N ATOM 595 CA HIS A 79 -7.335 -0.156 -7.265 1.00 0.00 C ATOM 596 C HIS A 79 -8.407 -0.965 -6.540 1.00 0.00 C ATOM 597 O HIS A 79 -8.174 -1.487 -5.450 1.00 0.00 O ATOM 598 CB HIS A 79 -6.475 -1.082 -8.126 1.00 0.00 C ATOM 599 CG HIS A 79 -5.458 -0.358 -8.952 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.148 -0.773 -9.068 1.00 0.00 N ATOM 601 CD2 HIS A 79 -5.565 0.760 -9.708 1.00 0.00 C ATOM 602 CE1 HIS A 79 -3.493 0.058 -9.858 1.00 0.00 C ATOM 603 NE2 HIS A 79 -4.330 0.998 -10.260 1.00 0.00 N ATOM 0 H HIS A 79 -5.688 0.050 -5.984 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.828 0.572 -7.909 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.964 -1.796 -7.479 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.124 -1.658 -8.786 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.456 1.354 -9.851 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.450 -0.018 -10.129 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.097 1.774 -10.879 1.00 0.00 H new ATOM 611 N VAL A 80 -9.582 -1.064 -7.153 1.00 0.00 N ATOM 612 CA VAL A 80 -10.690 -1.809 -6.567 1.00 0.00 C ATOM 613 C VAL A 80 -10.645 -3.276 -6.980 1.00 0.00 C ATOM 614 O VAL A 80 -11.038 -4.159 -6.217 1.00 0.00 O ATOM 615 CB VAL A 80 -12.048 -1.212 -6.979 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.190 -2.022 -6.384 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.140 0.246 -6.556 1.00 0.00 C ATOM 0 H VAL A 80 -9.791 -0.638 -8.056 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.583 -1.736 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.130 -1.257 -8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.142 -1.585 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.132 -3.050 -6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.115 -2.012 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.106 0.651 -6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.036 0.318 -5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.344 0.815 -7.036 1.00 0.00 H new ATOM 627 N TYR A 81 -10.162 -3.529 -8.191 1.00 0.00 N ATOM 628 CA TYR A 81 -10.067 -4.889 -8.707 1.00 0.00 C ATOM 629 C TYR A 81 -8.611 -5.288 -8.928 1.00 0.00 C ATOM 630 O TYR A 81 -7.865 -4.596 -9.622 1.00 0.00 O ATOM 631 CB TYR A 81 -10.847 -5.016 -10.017 1.00 0.00 C ATOM 632 CG TYR A 81 -12.319 -4.703 -9.878 1.00 0.00 C ATOM 633 CD1 TYR A 81 -12.774 -3.390 -9.880 1.00 0.00 C ATOM 634 CD2 TYR A 81 -13.256 -5.720 -9.745 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.118 -3.099 -9.752 1.00 0.00 C ATOM 636 CE2 TYR A 81 -14.603 -5.439 -9.618 1.00 0.00 C ATOM 637 CZ TYR A 81 -15.029 -4.127 -9.622 1.00 0.00 C ATOM 638 OH TYR A 81 -16.369 -3.842 -9.496 1.00 0.00 O ATOM 0 H TYR A 81 -9.830 -2.810 -8.834 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.501 -5.562 -7.967 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.410 -4.345 -10.757 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.734 -6.030 -10.400 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.064 -2.583 -9.983 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.926 -6.748 -9.741 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.454 -2.073 -9.754 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.318 -6.242 -9.516 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.875 -4.677 -9.415 1.00 0.00 H new ATOM 648 N TYR A 82 -8.214 -6.407 -8.334 1.00 0.00 N ATOM 649 CA TYR A 82 -6.847 -6.898 -8.464 1.00 0.00 C ATOM 650 C TYR A 82 -6.326 -6.691 -9.883 1.00 0.00 C ATOM 651 O TYR A 82 -7.033 -6.941 -10.859 1.00 0.00 O ATOM 652 CB TYR A 82 -6.779 -8.381 -8.095 1.00 0.00 C ATOM 653 CG TYR A 82 -5.446 -9.022 -8.409 1.00 0.00 C ATOM 654 CD1 TYR A 82 -4.254 -8.390 -8.076 1.00 0.00 C ATOM 655 CD2 TYR A 82 -5.378 -10.259 -9.038 1.00 0.00 C ATOM 656 CE1 TYR A 82 -3.033 -8.971 -8.361 1.00 0.00 C ATOM 657 CE2 TYR A 82 -4.162 -10.848 -9.326 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.993 -10.201 -8.986 1.00 0.00 C ATOM 659 OH TYR A 82 -1.779 -10.784 -9.272 1.00 0.00 O ATOM 0 H TYR A 82 -8.819 -6.992 -7.758 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.217 -6.330 -7.779 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.984 -8.492 -7.030 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.565 -8.916 -8.628 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.282 -7.428 -7.586 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.291 -10.769 -9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.116 -8.466 -8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.127 -11.810 -9.815 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.926 -11.648 -9.711 1.00 0.00 H new ATOM 669 N SER A 83 -5.083 -6.232 -9.988 1.00 0.00 N ATOM 670 CA SER A 83 -4.466 -5.987 -11.287 1.00 0.00 C ATOM 671 C SER A 83 -3.042 -6.532 -11.323 1.00 0.00 C ATOM 672 O SER A 83 -2.321 -6.483 -10.325 1.00 0.00 O ATOM 673 CB SER A 83 -4.459 -4.489 -11.597 1.00 0.00 C ATOM 674 OG SER A 83 -5.652 -4.099 -12.256 1.00 0.00 O ATOM 0 H SER A 83 -4.483 -6.022 -9.190 1.00 0.00 H new ATOM 0 HA SER A 83 -5.054 -6.505 -12.045 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.349 -3.923 -10.672 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.599 -4.248 -12.222 1.00 0.00 H new ATOM 0 HG SER A 83 -5.778 -3.132 -12.160 1.00 0.00 H new ATOM 680 N ARG A 84 -2.642 -7.051 -12.479 1.00 0.00 N ATOM 681 CA ARG A 84 -1.305 -7.606 -12.646 1.00 0.00 C ATOM 682 C ARG A 84 -0.342 -6.552 -13.184 1.00 0.00 C ATOM 683 O ARG A 84 0.860 -6.603 -12.922 1.00 0.00 O ATOM 684 CB ARG A 84 -1.343 -8.808 -13.592 1.00 0.00 C ATOM 685 CG ARG A 84 -2.069 -10.013 -13.017 1.00 0.00 C ATOM 686 CD ARG A 84 -3.559 -9.960 -13.314 1.00 0.00 C ATOM 687 NE ARG A 84 -3.834 -10.016 -14.748 1.00 0.00 N ATOM 688 CZ ARG A 84 -5.047 -10.202 -15.257 1.00 0.00 C ATOM 689 NH1 ARG A 84 -6.092 -10.348 -14.453 1.00 0.00 N ATOM 690 NH2 ARG A 84 -5.217 -10.241 -16.572 1.00 0.00 N ATOM 0 H ARG A 84 -3.225 -7.099 -13.314 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.950 -7.933 -11.669 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.828 -8.512 -14.522 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.322 -9.095 -13.842 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.646 -10.927 -13.434 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.913 -10.053 -11.939 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.058 -10.792 -12.817 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.979 -9.043 -12.900 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.052 -9.906 -15.394 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.965 -10.318 -13.441 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.022 -10.491 -14.846 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.416 -10.128 -17.193 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.149 -10.384 -16.962 1.00 0.00 H new ATOM 704 N SER A 85 -0.878 -5.598 -13.938 1.00 0.00 N ATOM 705 CA SER A 85 -0.065 -4.534 -14.517 1.00 0.00 C ATOM 706 C SER A 85 -0.241 -3.233 -13.740 1.00 0.00 C ATOM 707 O SER A 85 0.734 -2.564 -13.397 1.00 0.00 O ATOM 708 CB SER A 85 -0.439 -4.319 -15.985 1.00 0.00 C ATOM 709 OG SER A 85 0.674 -3.861 -16.733 1.00 0.00 O ATOM 0 H SER A 85 -1.871 -5.540 -14.162 1.00 0.00 H new ATOM 0 HA SER A 85 0.981 -4.835 -14.456 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.808 -5.253 -16.410 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.251 -3.595 -16.054 1.00 0.00 H new ATOM 0 HG SER A 85 0.409 -3.733 -17.668 1.00 0.00 H new ATOM 715 N LYS A 86 -1.492 -2.879 -13.465 1.00 0.00 N ATOM 716 CA LYS A 86 -1.799 -1.659 -12.728 1.00 0.00 C ATOM 717 C LYS A 86 -1.218 -1.715 -11.318 1.00 0.00 C ATOM 718 O LYS A 86 -0.255 -1.015 -11.004 1.00 0.00 O ATOM 719 CB LYS A 86 -3.313 -1.447 -12.659 1.00 0.00 C ATOM 720 CG LYS A 86 -3.996 -1.501 -14.014 1.00 0.00 C ATOM 721 CD LYS A 86 -4.017 -0.137 -14.683 1.00 0.00 C ATOM 722 CE LYS A 86 -2.664 0.210 -15.284 1.00 0.00 C ATOM 723 NZ LYS A 86 -2.789 1.172 -16.414 1.00 0.00 N ATOM 0 H LYS A 86 -2.311 -3.421 -13.742 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.345 -0.821 -13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.749 -2.207 -12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.516 -0.481 -12.197 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.478 -2.214 -14.655 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.017 -1.864 -13.894 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.777 -0.125 -15.464 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.298 0.623 -13.954 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.023 0.637 -14.513 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.178 -0.701 -15.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.845 1.383 -16.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.380 0.755 -17.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.229 2.051 -16.075 1.00 0.00 H new ATOM 737 N THR A 87 -1.809 -2.554 -10.472 1.00 0.00 N ATOM 738 CA THR A 87 -1.350 -2.701 -9.097 1.00 0.00 C ATOM 739 C THR A 87 0.103 -3.159 -9.048 1.00 0.00 C ATOM 740 O THR A 87 0.481 -4.133 -9.701 1.00 0.00 O ATOM 741 CB THR A 87 -2.220 -3.706 -8.319 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.552 -3.200 -8.184 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.633 -3.978 -6.942 1.00 0.00 C ATOM 0 H THR A 87 -2.606 -3.142 -10.716 1.00 0.00 H new ATOM 0 HA THR A 87 -1.434 -1.720 -8.629 1.00 0.00 H new ATOM 0 HB THR A 87 -2.243 -4.642 -8.878 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.678 -2.443 -8.794 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.265 -4.690 -6.411 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.630 -4.392 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.583 -3.047 -6.377 1.00 0.00 H new ATOM 751 N THR A 88 0.916 -2.453 -8.269 1.00 0.00 N ATOM 752 CA THR A 88 2.328 -2.787 -8.135 1.00 0.00 C ATOM 753 C THR A 88 2.561 -3.732 -6.962 1.00 0.00 C ATOM 754 O THR A 88 3.359 -4.665 -7.052 1.00 0.00 O ATOM 755 CB THR A 88 3.188 -1.524 -7.940 1.00 0.00 C ATOM 756 OG1 THR A 88 2.605 -0.684 -6.938 1.00 0.00 O ATOM 757 CG2 THR A 88 3.318 -0.751 -9.244 1.00 0.00 C ATOM 0 H THR A 88 0.620 -1.645 -7.721 1.00 0.00 H new ATOM 0 HA THR A 88 2.625 -3.281 -9.060 1.00 0.00 H new ATOM 0 HB THR A 88 4.182 -1.835 -7.619 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.012 -0.881 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.929 0.137 -9.081 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.789 -1.383 -9.996 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.329 -0.452 -9.590 1.00 0.00 H new ATOM 765 N HIS A 89 1.858 -3.485 -5.861 1.00 0.00 N ATOM 766 CA HIS A 89 1.988 -4.316 -4.669 1.00 0.00 C ATOM 767 C HIS A 89 0.619 -4.777 -4.177 1.00 0.00 C ATOM 768 O HIS A 89 -0.395 -4.129 -4.438 1.00 0.00 O ATOM 769 CB HIS A 89 2.709 -3.548 -3.561 1.00 0.00 C ATOM 770 CG HIS A 89 3.997 -2.926 -4.005 1.00 0.00 C ATOM 771 ND1 HIS A 89 4.059 -1.738 -4.703 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.278 -3.334 -3.845 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.322 -1.443 -4.954 1.00 0.00 C ATOM 774 NE2 HIS A 89 6.082 -2.395 -4.443 1.00 0.00 N ATOM 0 H HIS A 89 1.193 -2.717 -5.769 1.00 0.00 H new ATOM 0 HA HIS A 89 2.576 -5.195 -4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.049 -2.767 -3.183 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.909 -4.226 -2.731 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.606 -4.231 -3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.673 -0.572 -5.486 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.101 -2.427 -4.486 1.00 0.00 H new ATOM 782 N ILE A 90 0.598 -5.898 -3.464 1.00 0.00 N ATOM 783 CA ILE A 90 -0.645 -6.444 -2.936 1.00 0.00 C ATOM 784 C ILE A 90 -0.649 -6.428 -1.411 1.00 0.00 C ATOM 785 O ILE A 90 0.158 -7.103 -0.771 1.00 0.00 O ATOM 786 CB ILE A 90 -0.879 -7.887 -3.423 1.00 0.00 C ATOM 787 CG1 ILE A 90 -1.032 -7.916 -4.945 1.00 0.00 C ATOM 788 CG2 ILE A 90 -2.107 -8.481 -2.750 1.00 0.00 C ATOM 789 CD1 ILE A 90 -1.169 -9.312 -5.512 1.00 0.00 C ATOM 0 H ILE A 90 1.428 -6.446 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.450 -5.809 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.013 -8.491 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.908 -7.331 -5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.167 -7.432 -5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.259 -9.500 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.961 -8.490 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.982 -7.878 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.274 -9.256 -6.596 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.282 -9.895 -5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.050 -9.793 -5.087 1.00 0.00 H new ATOM 801 N ILE A 91 -1.563 -5.654 -0.836 1.00 0.00 N ATOM 802 CA ILE A 91 -1.674 -5.552 0.614 1.00 0.00 C ATOM 803 C ILE A 91 -2.473 -6.717 1.188 1.00 0.00 C ATOM 804 O ILE A 91 -3.643 -6.904 0.855 1.00 0.00 O ATOM 805 CB ILE A 91 -2.340 -4.229 1.036 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.551 -3.038 0.490 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.448 -4.150 2.552 1.00 0.00 C ATOM 808 CD1 ILE A 91 -0.131 -2.965 1.007 1.00 0.00 C ATOM 0 H ILE A 91 -2.237 -5.088 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.659 -5.581 1.011 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.346 -4.196 0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.530 -3.095 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.072 -2.117 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.921 -3.209 2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.049 -4.982 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.452 -4.202 2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.368 -2.096 0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.143 -2.877 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.407 -3.869 0.723 1.00 0.00 H new ATOM 820 N ALA A 92 -1.834 -7.496 2.054 1.00 0.00 N ATOM 821 CA ALA A 92 -2.486 -8.641 2.677 1.00 0.00 C ATOM 822 C ALA A 92 -1.651 -9.189 3.829 1.00 0.00 C ATOM 823 O ALA A 92 -0.456 -9.446 3.676 1.00 0.00 O ATOM 824 CB ALA A 92 -2.744 -9.729 1.645 1.00 0.00 C ATOM 0 H ALA A 92 -0.865 -7.355 2.340 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.441 -8.307 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.231 -10.578 2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.389 -9.338 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.797 -10.052 1.212 1.00 0.00 H new ATOM 830 N THR A 93 -2.286 -9.366 4.983 1.00 0.00 N ATOM 831 CA THR A 93 -1.600 -9.881 6.162 1.00 0.00 C ATOM 832 C THR A 93 -1.305 -11.370 6.019 1.00 0.00 C ATOM 833 O THR A 93 -0.156 -11.797 6.118 1.00 0.00 O ATOM 834 CB THR A 93 -2.431 -9.655 7.439 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.828 -9.656 7.122 1.00 0.00 O ATOM 836 CG2 THR A 93 -2.058 -8.337 8.101 1.00 0.00 C ATOM 0 H THR A 93 -3.275 -9.160 5.127 1.00 0.00 H new ATOM 0 HA THR A 93 -0.661 -9.333 6.246 1.00 0.00 H new ATOM 0 HB THR A 93 -2.216 -10.467 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.090 -8.770 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.658 -8.199 9.001 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.001 -8.350 8.368 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.247 -7.516 7.409 1.00 0.00 H new ATOM 844 N ASN A 94 -2.351 -12.156 5.784 1.00 0.00 N ATOM 845 CA ASN A 94 -2.203 -13.599 5.627 1.00 0.00 C ATOM 846 C ASN A 94 -3.191 -14.138 4.597 1.00 0.00 C ATOM 847 O ASN A 94 -4.318 -13.651 4.488 1.00 0.00 O ATOM 848 CB ASN A 94 -2.412 -14.303 6.969 1.00 0.00 C ATOM 849 CG ASN A 94 -3.861 -14.686 7.202 1.00 0.00 C ATOM 850 OD1 ASN A 94 -4.246 -15.841 7.021 1.00 0.00 O ATOM 851 ND2 ASN A 94 -4.672 -13.714 7.604 1.00 0.00 N ATOM 0 H ASN A 94 -3.310 -11.818 5.698 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.192 -13.799 5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.792 -15.199 7.007 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.078 -13.650 7.775 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -5.658 -13.911 7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.309 -12.771 7.741 1.00 0.00 H new ATOM 858 N LEU A 95 -2.763 -15.145 3.845 1.00 0.00 N ATOM 859 CA LEU A 95 -3.610 -15.752 2.825 1.00 0.00 C ATOM 860 C LEU A 95 -3.487 -17.273 2.848 1.00 0.00 C ATOM 861 O LEU A 95 -2.443 -17.830 3.188 1.00 0.00 O ATOM 862 CB LEU A 95 -3.235 -15.220 1.440 1.00 0.00 C ATOM 863 CG LEU A 95 -3.248 -13.700 1.280 1.00 0.00 C ATOM 864 CD1 LEU A 95 -2.376 -13.280 0.107 1.00 0.00 C ATOM 865 CD2 LEU A 95 -4.672 -13.195 1.095 1.00 0.00 C ATOM 0 H LEU A 95 -1.834 -15.559 3.922 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.645 -15.486 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.238 -15.583 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.922 -15.648 0.710 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.841 -13.255 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.397 -12.195 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.351 -13.609 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.754 -13.735 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.662 -12.111 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.106 -13.648 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.269 -13.464 1.966 1.00 0.00 H new ATOM 877 N PRO A 96 -4.577 -17.961 2.476 1.00 0.00 N ATOM 878 CA PRO A 96 -4.615 -19.426 2.444 1.00 0.00 C ATOM 879 C PRO A 96 -3.750 -20.003 1.329 1.00 0.00 C ATOM 880 O PRO A 96 -3.441 -19.321 0.353 1.00 0.00 O ATOM 881 CB PRO A 96 -6.092 -19.736 2.190 1.00 0.00 C ATOM 882 CG PRO A 96 -6.620 -18.528 1.497 1.00 0.00 C ATOM 883 CD PRO A 96 -5.855 -17.361 2.059 1.00 0.00 C ATOM 0 HA PRO A 96 -4.225 -19.865 3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.209 -20.628 1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.624 -19.921 3.123 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.480 -18.604 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.690 -18.414 1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -5.708 -16.580 1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.378 -16.905 2.899 1.00 0.00 H new ATOM 891 N ASN A 97 -3.362 -21.266 1.481 1.00 0.00 N ATOM 892 CA ASN A 97 -2.532 -21.935 0.486 1.00 0.00 C ATOM 893 C ASN A 97 -3.059 -21.680 -0.923 1.00 0.00 C ATOM 894 O ASN A 97 -2.291 -21.392 -1.841 1.00 0.00 O ATOM 895 CB ASN A 97 -2.485 -23.440 0.760 1.00 0.00 C ATOM 896 CG ASN A 97 -2.297 -23.754 2.231 1.00 0.00 C ATOM 897 OD1 ASN A 97 -1.914 -22.888 3.018 1.00 0.00 O ATOM 898 ND2 ASN A 97 -2.565 -24.998 2.610 1.00 0.00 N ATOM 0 H ASN A 97 -3.609 -21.846 2.283 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.524 -21.527 0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.409 -23.900 0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.670 -23.885 0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.456 -25.268 3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.880 -25.684 1.924 1.00 0.00 H new ATOM 905 N ALA A 98 -4.373 -21.786 -1.086 1.00 0.00 N ATOM 906 CA ALA A 98 -5.003 -21.564 -2.381 1.00 0.00 C ATOM 907 C ALA A 98 -4.570 -20.231 -2.981 1.00 0.00 C ATOM 908 O ALA A 98 -4.004 -20.183 -4.073 1.00 0.00 O ATOM 909 CB ALA A 98 -6.518 -21.618 -2.248 1.00 0.00 C ATOM 0 H ALA A 98 -5.023 -22.024 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.680 -22.358 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.975 -21.450 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.816 -22.597 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.850 -20.846 -1.554 1.00 0.00 H new ATOM 915 N LYS A 99 -4.840 -19.148 -2.260 1.00 0.00 N ATOM 916 CA LYS A 99 -4.478 -17.812 -2.720 1.00 0.00 C ATOM 917 C LYS A 99 -2.998 -17.743 -3.079 1.00 0.00 C ATOM 918 O LYS A 99 -2.635 -17.311 -4.174 1.00 0.00 O ATOM 919 CB LYS A 99 -4.801 -16.775 -1.642 1.00 0.00 C ATOM 920 CG LYS A 99 -6.247 -16.310 -1.659 1.00 0.00 C ATOM 921 CD LYS A 99 -6.444 -15.135 -2.602 1.00 0.00 C ATOM 922 CE LYS A 99 -7.845 -15.124 -3.194 1.00 0.00 C ATOM 923 NZ LYS A 99 -8.235 -13.769 -3.673 1.00 0.00 N ATOM 0 H LYS A 99 -5.309 -19.169 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.061 -17.592 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.576 -17.199 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.149 -15.912 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.892 -17.134 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.550 -16.024 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.267 -14.203 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.709 -15.185 -3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.894 -15.830 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.559 -15.463 -2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.196 -13.804 -4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.213 -13.100 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.569 -13.455 -4.408 1.00 0.00 H new ATOM 937 N ILE A 100 -2.148 -18.172 -2.153 1.00 0.00 N ATOM 938 CA ILE A 100 -0.707 -18.161 -2.374 1.00 0.00 C ATOM 939 C ILE A 100 -0.362 -18.667 -3.771 1.00 0.00 C ATOM 940 O ILE A 100 0.377 -18.020 -4.513 1.00 0.00 O ATOM 941 CB ILE A 100 0.029 -19.022 -1.331 1.00 0.00 C ATOM 942 CG1 ILE A 100 -0.205 -18.469 0.076 1.00 0.00 C ATOM 943 CG2 ILE A 100 1.517 -19.075 -1.644 1.00 0.00 C ATOM 944 CD1 ILE A 100 0.395 -19.325 1.169 1.00 0.00 C ATOM 0 H ILE A 100 -2.432 -18.532 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.380 -17.126 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.368 -20.036 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.217 -17.466 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.277 -18.375 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.024 -19.687 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.666 -19.510 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.929 -18.066 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.190 -18.872 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.045 -20.322 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.473 -19.399 1.023 1.00 0.00 H new ATOM 956 N LYS A 101 -0.903 -19.828 -4.123 1.00 0.00 N ATOM 957 CA LYS A 101 -0.656 -20.422 -5.432 1.00 0.00 C ATOM 958 C LYS A 101 -0.980 -19.434 -6.548 1.00 0.00 C ATOM 959 O LYS A 101 -0.160 -19.193 -7.433 1.00 0.00 O ATOM 960 CB LYS A 101 -1.490 -21.694 -5.604 1.00 0.00 C ATOM 961 CG LYS A 101 -0.882 -22.693 -6.572 1.00 0.00 C ATOM 962 CD LYS A 101 -1.841 -23.834 -6.871 1.00 0.00 C ATOM 963 CE LYS A 101 -1.754 -24.925 -5.815 1.00 0.00 C ATOM 964 NZ LYS A 101 -3.007 -25.727 -5.741 1.00 0.00 N ATOM 0 H LYS A 101 -1.516 -20.377 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 101 0.402 -20.678 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.614 -22.172 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.486 -21.421 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.617 -22.187 -7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.041 -23.093 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.861 -23.451 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.614 -24.255 -7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.915 -25.583 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.553 -24.474 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.907 -26.460 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.804 -25.104 -5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.185 -26.178 -6.661 1.00 0.00 H new ATOM 978 N GLU A 102 -2.180 -18.865 -6.498 1.00 0.00 N ATOM 979 CA GLU A 102 -2.611 -17.902 -7.505 1.00 0.00 C ATOM 980 C GLU A 102 -1.687 -16.688 -7.528 1.00 0.00 C ATOM 981 O GLU A 102 -1.301 -16.207 -8.594 1.00 0.00 O ATOM 982 CB GLU A 102 -4.050 -17.457 -7.234 1.00 0.00 C ATOM 983 CG GLU A 102 -4.870 -18.480 -6.467 1.00 0.00 C ATOM 984 CD GLU A 102 -4.718 -19.883 -7.021 1.00 0.00 C ATOM 985 OE1 GLU A 102 -4.475 -20.016 -8.239 1.00 0.00 O ATOM 986 OE2 GLU A 102 -4.844 -20.848 -6.238 1.00 0.00 O ATOM 0 H GLU A 102 -2.871 -19.054 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.566 -18.389 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.033 -16.523 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.542 -17.248 -8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.567 -18.472 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.921 -18.194 -6.497 1.00 0.00 H new ATOM 993 N LEU A 103 -1.336 -16.197 -6.344 1.00 0.00 N ATOM 994 CA LEU A 103 -0.458 -15.038 -6.226 1.00 0.00 C ATOM 995 C LEU A 103 1.004 -15.444 -6.385 1.00 0.00 C ATOM 996 O LEU A 103 1.876 -14.960 -5.664 1.00 0.00 O ATOM 997 CB LEU A 103 -0.664 -14.352 -4.875 1.00 0.00 C ATOM 998 CG LEU A 103 -2.116 -14.153 -4.438 1.00 0.00 C ATOM 999 CD1 LEU A 103 -2.176 -13.592 -3.026 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.845 -13.237 -5.410 1.00 0.00 C ATOM 0 H LEU A 103 -1.646 -16.584 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.711 -14.339 -7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.153 -14.938 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.178 -13.377 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.613 -15.123 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.217 -13.457 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.692 -14.285 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.662 -12.631 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.877 -13.107 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.348 -12.267 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.833 -13.680 -6.406 1.00 0.00 H new ATOM 1012 N LYS A 104 1.264 -16.336 -7.336 1.00 0.00 N ATOM 1013 CA LYS A 104 2.620 -16.806 -7.593 1.00 0.00 C ATOM 1014 C LYS A 104 3.434 -15.745 -8.328 1.00 0.00 C ATOM 1015 O LYS A 104 3.081 -15.334 -9.433 1.00 0.00 O ATOM 1016 CB LYS A 104 2.588 -18.097 -8.413 1.00 0.00 C ATOM 1017 CG LYS A 104 3.964 -18.595 -8.820 1.00 0.00 C ATOM 1018 CD LYS A 104 3.927 -20.053 -9.245 1.00 0.00 C ATOM 1019 CE LYS A 104 3.612 -20.195 -10.726 1.00 0.00 C ATOM 1020 NZ LYS A 104 4.829 -20.035 -11.569 1.00 0.00 N ATOM 0 H LYS A 104 0.553 -16.747 -7.941 1.00 0.00 H new ATOM 0 HA LYS A 104 3.096 -17.004 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.087 -18.873 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.991 -17.933 -9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.344 -17.986 -9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.656 -18.476 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.888 -20.520 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.177 -20.585 -8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.168 -21.173 -10.911 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.871 -19.449 -11.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.573 -20.139 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.239 -19.092 -11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.527 -20.763 -11.313 1.00 0.00 H new ATOM 1034 N GLY A 105 4.525 -15.306 -7.708 1.00 0.00 N ATOM 1035 CA GLY A 105 5.371 -14.299 -8.319 1.00 0.00 C ATOM 1036 C GLY A 105 5.065 -12.902 -7.817 1.00 0.00 C ATOM 1037 O GLY A 105 5.974 -12.104 -7.590 1.00 0.00 O ATOM 0 H GLY A 105 4.838 -15.630 -6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.416 -14.534 -8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.243 -14.329 -9.401 1.00 0.00 H new ATOM 1041 N GLU A 106 3.781 -12.605 -7.643 1.00 0.00 N ATOM 1042 CA GLU A 106 3.358 -11.294 -7.167 1.00 0.00 C ATOM 1043 C GLU A 106 4.106 -10.910 -5.894 1.00 0.00 C ATOM 1044 O GLU A 106 4.843 -11.716 -5.325 1.00 0.00 O ATOM 1045 CB GLU A 106 1.850 -11.282 -6.908 1.00 0.00 C ATOM 1046 CG GLU A 106 1.021 -10.994 -8.148 1.00 0.00 C ATOM 1047 CD GLU A 106 1.403 -9.687 -8.814 1.00 0.00 C ATOM 1048 OE1 GLU A 106 1.673 -8.707 -8.089 1.00 0.00 O ATOM 1049 OE2 GLU A 106 1.433 -9.644 -10.062 1.00 0.00 O ATOM 0 H GLU A 106 3.016 -13.255 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 106 3.592 -10.563 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.553 -12.248 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.626 -10.532 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.144 -11.810 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.034 -10.964 -7.876 1.00 0.00 H new ATOM 1056 N LYS A 107 3.913 -9.672 -5.452 1.00 0.00 N ATOM 1057 CA LYS A 107 4.569 -9.179 -4.246 1.00 0.00 C ATOM 1058 C LYS A 107 3.543 -8.847 -3.166 1.00 0.00 C ATOM 1059 O LYS A 107 2.795 -7.876 -3.283 1.00 0.00 O ATOM 1060 CB LYS A 107 5.406 -7.938 -4.567 1.00 0.00 C ATOM 1061 CG LYS A 107 6.576 -8.218 -5.494 1.00 0.00 C ATOM 1062 CD LYS A 107 7.820 -8.615 -4.717 1.00 0.00 C ATOM 1063 CE LYS A 107 9.087 -8.328 -5.509 1.00 0.00 C ATOM 1064 NZ LYS A 107 9.042 -8.938 -6.867 1.00 0.00 N ATOM 0 H LYS A 107 3.308 -8.991 -5.911 1.00 0.00 H new ATOM 0 HA LYS A 107 5.224 -9.965 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.764 -7.185 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.784 -7.514 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.309 -9.015 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.787 -7.332 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.849 -8.072 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.775 -9.676 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.223 -7.250 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.950 -8.714 -4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.980 -8.868 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.770 -9.939 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.344 -8.434 -7.451 1.00 0.00 H new ATOM 1078 N VAL A 108 3.515 -9.659 -2.115 1.00 0.00 N ATOM 1079 CA VAL A 108 2.583 -9.451 -1.013 1.00 0.00 C ATOM 1080 C VAL A 108 3.261 -8.741 0.154 1.00 0.00 C ATOM 1081 O VAL A 108 4.135 -9.305 0.813 1.00 0.00 O ATOM 1082 CB VAL A 108 1.994 -10.784 -0.515 1.00 0.00 C ATOM 1083 CG1 VAL A 108 0.660 -10.554 0.179 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.841 -11.762 -1.671 1.00 0.00 C ATOM 0 H VAL A 108 4.127 -10.467 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 108 1.776 -8.827 -1.396 1.00 0.00 H new ATOM 0 HB VAL A 108 2.683 -11.217 0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.260 -11.508 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.803 -9.891 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.040 -10.098 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.424 -12.699 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.173 -11.338 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.816 -11.951 -2.119 1.00 0.00 H new ATOM 1094 N ILE A 109 2.852 -7.502 0.403 1.00 0.00 N ATOM 1095 CA ILE A 109 3.420 -6.715 1.492 1.00 0.00 C ATOM 1096 C ILE A 109 2.385 -6.460 2.583 1.00 0.00 C ATOM 1097 O ILE A 109 1.209 -6.234 2.297 1.00 0.00 O ATOM 1098 CB ILE A 109 3.961 -5.365 0.987 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.875 -5.576 -0.222 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.706 -4.644 2.101 1.00 0.00 C ATOM 1101 CD1 ILE A 109 5.917 -6.652 -0.011 1.00 0.00 C ATOM 0 H ILE A 109 2.130 -7.021 -0.134 1.00 0.00 H new ATOM 0 HA ILE A 109 4.245 -7.296 1.905 1.00 0.00 H new ATOM 0 HB ILE A 109 3.119 -4.746 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.265 -5.837 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.376 -4.637 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.083 -3.691 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.028 -4.465 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.541 -5.258 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.529 -6.747 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.551 -6.384 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.423 -7.602 0.193 1.00 0.00 H new ATOM 1113 N ARG A 110 2.832 -6.497 3.834 1.00 0.00 N ATOM 1114 CA ARG A 110 1.945 -6.269 4.968 1.00 0.00 C ATOM 1115 C ARG A 110 1.361 -4.860 4.927 1.00 0.00 C ATOM 1116 O ARG A 110 1.962 -3.927 4.393 1.00 0.00 O ATOM 1117 CB ARG A 110 2.698 -6.482 6.283 1.00 0.00 C ATOM 1118 CG ARG A 110 2.988 -7.942 6.589 1.00 0.00 C ATOM 1119 CD ARG A 110 3.168 -8.174 8.081 1.00 0.00 C ATOM 1120 NE ARG A 110 4.049 -9.305 8.357 1.00 0.00 N ATOM 1121 CZ ARG A 110 4.447 -9.646 9.578 1.00 0.00 C ATOM 1122 NH1 ARG A 110 4.044 -8.947 10.629 1.00 0.00 N ATOM 1123 NH2 ARG A 110 5.249 -10.689 9.748 1.00 0.00 N ATOM 0 H ARG A 110 3.802 -6.683 4.088 1.00 0.00 H new ATOM 0 HA ARG A 110 1.126 -6.985 4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.639 -5.933 6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.114 -6.058 7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.171 -8.561 6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.889 -8.254 6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.578 -7.275 8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.195 -8.352 8.540 1.00 0.00 H new ATOM 0 HE ARG A 110 4.377 -9.864 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.427 -8.145 10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.351 -9.211 11.565 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.560 -11.230 8.941 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.554 -10.950 10.686 1.00 0.00 H new ATOM 1137 N PRO A 111 0.160 -4.700 5.504 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.532 -3.408 5.546 1.00 0.00 C ATOM 1139 C PRO A 111 0.156 -2.412 6.474 1.00 0.00 C ATOM 1140 O PRO A 111 -0.255 -1.256 6.572 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.920 -3.766 6.081 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.714 -5.019 6.861 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.614 -5.767 6.159 1.00 0.00 C ATOM 0 HA PRO A 111 -0.549 -2.923 4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.320 -2.970 6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.630 -3.918 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.438 -4.796 7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.628 -5.612 6.896 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -0.002 -6.334 6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.011 -6.478 5.435 1.00 0.00 H new ATOM 1151 N GLU A 112 1.205 -2.869 7.152 1.00 0.00 N ATOM 1152 CA GLU A 112 1.948 -2.016 8.072 1.00 0.00 C ATOM 1153 C GLU A 112 3.017 -1.217 7.331 1.00 0.00 C ATOM 1154 O GLU A 112 3.356 -0.101 7.724 1.00 0.00 O ATOM 1155 CB GLU A 112 2.597 -2.859 9.172 1.00 0.00 C ATOM 1156 CG GLU A 112 1.662 -3.180 10.325 1.00 0.00 C ATOM 1157 CD GLU A 112 2.026 -4.472 11.030 1.00 0.00 C ATOM 1158 OE1 GLU A 112 3.210 -4.634 11.396 1.00 0.00 O ATOM 1159 OE2 GLU A 112 1.130 -5.321 11.215 1.00 0.00 O ATOM 0 H GLU A 112 1.558 -3.823 7.081 1.00 0.00 H new ATOM 0 HA GLU A 112 1.246 -1.317 8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.958 -3.791 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.468 -2.329 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.683 -2.360 11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.641 -3.250 9.951 1.00 0.00 H new ATOM 1166 N TRP A 113 3.543 -1.798 6.258 1.00 0.00 N ATOM 1167 CA TRP A 113 4.573 -1.141 5.462 1.00 0.00 C ATOM 1168 C TRP A 113 4.161 0.283 5.107 1.00 0.00 C ATOM 1169 O TRP A 113 4.998 1.185 5.048 1.00 0.00 O ATOM 1170 CB TRP A 113 4.847 -1.939 4.186 1.00 0.00 C ATOM 1171 CG TRP A 113 5.656 -1.184 3.175 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.871 -0.593 3.374 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.305 -0.937 1.809 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.297 0.006 2.213 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.355 -0.192 1.238 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.209 -1.276 1.012 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.337 0.221 -0.092 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.192 -0.865 -0.307 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.251 -0.124 -0.849 1.00 0.00 C ATOM 0 H TRP A 113 3.273 -2.722 5.920 1.00 0.00 H new ATOM 0 HA TRP A 113 5.485 -1.098 6.058 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.371 -2.859 4.447 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.897 -2.230 3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.416 -0.596 4.306 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.173 0.516 2.096 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.389 -1.849 1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.152 0.793 -0.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.348 -1.119 -0.931 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.209 0.181 -1.884 1.00 0.00 H new ATOM 1190 N ILE A 114 2.868 0.479 4.870 1.00 0.00 N ATOM 1191 CA ILE A 114 2.347 1.795 4.522 1.00 0.00 C ATOM 1192 C ILE A 114 2.084 2.630 5.770 1.00 0.00 C ATOM 1193 O ILE A 114 2.533 3.772 5.872 1.00 0.00 O ATOM 1194 CB ILE A 114 1.044 1.687 3.707 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.289 0.905 2.415 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.495 3.072 3.400 1.00 0.00 C ATOM 1197 CD1 ILE A 114 0.026 0.624 1.631 1.00 0.00 C ATOM 0 H ILE A 114 2.163 -0.257 4.913 1.00 0.00 H new ATOM 0 HA ILE A 114 3.108 2.284 3.914 1.00 0.00 H new ATOM 0 HB ILE A 114 0.305 1.149 4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.981 1.466 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.774 -0.040 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.426 2.979 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.288 3.596 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.229 3.635 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.275 0.067 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.659 0.037 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.449 1.566 1.357 1.00 0.00 H new ATOM 1209 N VAL A 115 1.355 2.053 6.720 1.00 0.00 N ATOM 1210 CA VAL A 115 1.035 2.742 7.964 1.00 0.00 C ATOM 1211 C VAL A 115 2.285 3.345 8.596 1.00 0.00 C ATOM 1212 O VAL A 115 2.335 4.542 8.876 1.00 0.00 O ATOM 1213 CB VAL A 115 0.368 1.793 8.977 1.00 0.00 C ATOM 1214 CG1 VAL A 115 0.046 2.530 10.268 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.886 1.174 8.379 1.00 0.00 C ATOM 0 H VAL A 115 0.975 1.109 6.651 1.00 0.00 H new ATOM 0 HA VAL A 115 0.337 3.541 7.712 1.00 0.00 H new ATOM 0 HB VAL A 115 1.066 0.990 9.211 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.425 1.843 10.971 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.966 2.921 10.703 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.634 3.355 10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.345 0.506 9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.591 1.963 8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.622 0.609 7.485 1.00 0.00 H new ATOM 1225 N GLU A 116 3.293 2.506 8.816 1.00 0.00 N ATOM 1226 CA GLU A 116 4.544 2.957 9.416 1.00 0.00 C ATOM 1227 C GLU A 116 5.182 4.061 8.578 1.00 0.00 C ATOM 1228 O GLU A 116 5.665 5.060 9.111 1.00 0.00 O ATOM 1229 CB GLU A 116 5.517 1.785 9.561 1.00 0.00 C ATOM 1230 CG GLU A 116 5.173 0.847 10.706 1.00 0.00 C ATOM 1231 CD GLU A 116 5.638 1.371 12.050 1.00 0.00 C ATOM 1232 OE1 GLU A 116 6.837 1.697 12.176 1.00 0.00 O ATOM 1233 OE2 GLU A 116 4.804 1.455 12.976 1.00 0.00 O ATOM 0 H GLU A 116 3.268 1.512 8.588 1.00 0.00 H new ATOM 0 HA GLU A 116 4.320 3.358 10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.532 1.218 8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.523 2.176 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.094 0.694 10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.628 -0.126 10.523 1.00 0.00 H new ATOM 1240 N SER A 117 5.180 3.873 7.262 1.00 0.00 N ATOM 1241 CA SER A 117 5.763 4.850 6.349 1.00 0.00 C ATOM 1242 C SER A 117 5.114 6.219 6.533 1.00 0.00 C ATOM 1243 O SER A 117 5.737 7.251 6.283 1.00 0.00 O ATOM 1244 CB SER A 117 5.600 4.386 4.900 1.00 0.00 C ATOM 1245 OG SER A 117 6.336 3.200 4.659 1.00 0.00 O ATOM 0 H SER A 117 4.781 3.053 6.804 1.00 0.00 H new ATOM 0 HA SER A 117 6.825 4.937 6.578 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.545 4.213 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.937 5.171 4.223 1.00 0.00 H new ATOM 0 HG SER A 117 6.002 2.484 5.239 1.00 0.00 H new ATOM 1251 N ILE A 118 3.860 6.218 6.971 1.00 0.00 N ATOM 1252 CA ILE A 118 3.127 7.459 7.190 1.00 0.00 C ATOM 1253 C ILE A 118 3.511 8.097 8.520 1.00 0.00 C ATOM 1254 O ILE A 118 3.922 9.257 8.570 1.00 0.00 O ATOM 1255 CB ILE A 118 1.605 7.226 7.165 1.00 0.00 C ATOM 1256 CG1 ILE A 118 1.149 6.834 5.758 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.870 8.471 7.638 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.062 5.928 5.745 1.00 0.00 C ATOM 0 H ILE A 118 3.330 5.372 7.181 1.00 0.00 H new ATOM 0 HA ILE A 118 3.396 8.132 6.376 1.00 0.00 H new ATOM 0 HB ILE A 118 1.367 6.407 7.844 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.922 7.738 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.971 6.335 5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.205 8.290 7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.176 8.709 8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 118 1.112 9.307 6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.328 5.691 4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 118 0.167 5.007 6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.898 6.432 6.230 1.00 0.00 H new ATOM 1270 N LYS A 119 3.376 7.332 9.598 1.00 0.00 N ATOM 1271 CA LYS A 119 3.711 7.820 10.930 1.00 0.00 C ATOM 1272 C LYS A 119 5.113 8.419 10.953 1.00 0.00 C ATOM 1273 O LYS A 119 5.377 9.377 11.679 1.00 0.00 O ATOM 1274 CB LYS A 119 3.614 6.684 11.951 1.00 0.00 C ATOM 1275 CG LYS A 119 2.190 6.231 12.224 1.00 0.00 C ATOM 1276 CD LYS A 119 2.115 5.332 13.446 1.00 0.00 C ATOM 1277 CE LYS A 119 0.684 4.907 13.739 1.00 0.00 C ATOM 1278 NZ LYS A 119 0.582 4.140 15.011 1.00 0.00 N ATOM 0 H LYS A 119 3.036 6.370 9.575 1.00 0.00 H new ATOM 0 HA LYS A 119 2.997 8.600 11.194 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.194 5.834 11.592 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.069 7.008 12.887 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.552 7.102 12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.804 5.698 11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.733 4.448 13.287 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.524 5.856 14.310 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.047 5.790 13.795 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.311 4.297 12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.409 3.869 15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.169 3.284 14.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.914 4.731 15.800 1.00 0.00 H new ATOM 1292 N ALA A 120 6.009 7.850 10.153 1.00 0.00 N ATOM 1293 CA ALA A 120 7.383 8.331 10.080 1.00 0.00 C ATOM 1294 C ALA A 120 7.482 9.578 9.208 1.00 0.00 C ATOM 1295 O ALA A 120 8.293 10.466 9.468 1.00 0.00 O ATOM 1296 CB ALA A 120 8.297 7.237 9.546 1.00 0.00 C ATOM 0 H ALA A 120 5.808 7.055 9.546 1.00 0.00 H new ATOM 0 HA ALA A 120 7.703 8.598 11.087 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.320 7.610 9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.257 6.373 10.210 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.969 6.944 8.549 1.00 0.00 H new ATOM 1302 N GLY A 121 6.651 9.638 8.171 1.00 0.00 N ATOM 1303 CA GLY A 121 6.663 10.780 7.277 1.00 0.00 C ATOM 1304 C GLY A 121 7.553 10.562 6.069 1.00 0.00 C ATOM 1305 O GLY A 121 8.129 11.510 5.536 1.00 0.00 O ATOM 0 H GLY A 121 5.970 8.916 7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.646 10.986 6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.004 11.660 7.822 1.00 0.00 H new ATOM 1309 N ARG A 122 7.668 9.310 5.639 1.00 0.00 N ATOM 1310 CA ARG A 122 8.497 8.971 4.489 1.00 0.00 C ATOM 1311 C ARG A 122 8.265 7.525 4.059 1.00 0.00 C ATOM 1312 O ARG A 122 7.801 6.699 4.846 1.00 0.00 O ATOM 1313 CB ARG A 122 9.975 9.186 4.818 1.00 0.00 C ATOM 1314 CG ARG A 122 10.463 8.360 5.997 1.00 0.00 C ATOM 1315 CD ARG A 122 11.981 8.360 6.087 1.00 0.00 C ATOM 1316 NE ARG A 122 12.458 7.668 7.282 1.00 0.00 N ATOM 1317 CZ ARG A 122 12.550 8.243 8.476 1.00 0.00 C ATOM 1318 NH1 ARG A 122 12.199 9.511 8.634 1.00 0.00 N ATOM 1319 NH2 ARG A 122 12.994 7.547 9.516 1.00 0.00 N ATOM 0 H ARG A 122 7.198 8.514 6.070 1.00 0.00 H new ATOM 0 HA ARG A 122 8.217 9.626 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.573 8.940 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.141 10.242 5.031 1.00 0.00 H new ATOM 0 HG2 ARG A 122 10.043 8.758 6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.103 7.336 5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.397 7.881 5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.344 9.388 6.094 1.00 0.00 H new ATOM 0 HE ARG A 122 12.735 6.690 7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 122 11.857 10.049 7.837 1.00 0.00 H new ATOM 0 HH12 ARG A 122 12.271 9.949 9.552 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.265 6.571 9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 122 13.065 7.989 10.433 1.00 0.00 H new ATOM 1333 N LEU A 123 8.591 7.226 2.807 1.00 0.00 N ATOM 1334 CA LEU A 123 8.418 5.880 2.272 1.00 0.00 C ATOM 1335 C LEU A 123 9.509 4.946 2.785 1.00 0.00 C ATOM 1336 O LEU A 123 10.698 5.259 2.707 1.00 0.00 O ATOM 1337 CB LEU A 123 8.436 5.911 0.742 1.00 0.00 C ATOM 1338 CG LEU A 123 8.021 4.618 0.039 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.538 4.351 0.245 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.351 4.688 -1.444 1.00 0.00 C ATOM 0 H LEU A 123 8.977 7.897 2.143 1.00 0.00 H new ATOM 0 HA LEU A 123 7.453 5.503 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.776 6.711 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.443 6.171 0.416 1.00 0.00 H new ATOM 0 HG LEU A 123 8.582 3.793 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.261 3.427 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.330 4.256 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 123 5.959 5.178 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.049 3.759 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.817 5.524 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.424 4.831 -1.572 1.00 0.00 H new ATOM 1352 N LEU A 124 9.098 3.796 3.309 1.00 0.00 N ATOM 1353 CA LEU A 124 10.041 2.814 3.833 1.00 0.00 C ATOM 1354 C LEU A 124 10.218 1.654 2.858 1.00 0.00 C ATOM 1355 O LEU A 124 9.581 1.612 1.806 1.00 0.00 O ATOM 1356 CB LEU A 124 9.559 2.288 5.187 1.00 0.00 C ATOM 1357 CG LEU A 124 9.301 3.343 6.263 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.532 2.740 7.428 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.612 3.947 6.743 1.00 0.00 C ATOM 0 H LEU A 124 8.119 3.521 3.382 1.00 0.00 H new ATOM 0 HA LEU A 124 11.005 3.305 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.638 1.726 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.301 1.585 5.566 1.00 0.00 H new ATOM 0 HG LEU A 124 8.696 4.138 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.358 3.506 8.184 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.576 2.356 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.111 1.925 7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.409 4.696 7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.243 3.162 7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.125 4.416 5.904 1.00 0.00 H new ATOM 1371 N SER A 125 11.086 0.714 3.217 1.00 0.00 N ATOM 1372 CA SER A 125 11.348 -0.446 2.373 1.00 0.00 C ATOM 1373 C SER A 125 10.298 -1.530 2.597 1.00 0.00 C ATOM 1374 O SER A 125 9.578 -1.515 3.596 1.00 0.00 O ATOM 1375 CB SER A 125 12.743 -1.006 2.657 1.00 0.00 C ATOM 1376 OG SER A 125 13.750 -0.146 2.152 1.00 0.00 O ATOM 0 H SER A 125 11.620 0.733 4.086 1.00 0.00 H new ATOM 0 HA SER A 125 11.298 -0.125 1.333 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.875 -1.134 3.731 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.842 -1.992 2.204 1.00 0.00 H new ATOM 0 HG SER A 125 14.632 -0.525 2.348 1.00 0.00 H new ATOM 1382 N TYR A 126 10.216 -2.469 1.661 1.00 0.00 N ATOM 1383 CA TYR A 126 9.253 -3.559 1.754 1.00 0.00 C ATOM 1384 C TYR A 126 9.961 -4.895 1.962 1.00 0.00 C ATOM 1385 O TYR A 126 9.345 -5.877 2.378 1.00 0.00 O ATOM 1386 CB TYR A 126 8.393 -3.617 0.490 1.00 0.00 C ATOM 1387 CG TYR A 126 9.170 -3.980 -0.755 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.338 -5.307 -1.131 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.737 -2.996 -1.555 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.047 -5.643 -2.267 1.00 0.00 C ATOM 1391 CE2 TYR A 126 10.447 -3.323 -2.694 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.600 -4.648 -3.046 1.00 0.00 C ATOM 1393 OH TYR A 126 11.307 -4.978 -4.179 1.00 0.00 O ATOM 0 H TYR A 126 10.805 -2.497 0.829 1.00 0.00 H new ATOM 0 HA TYR A 126 8.611 -3.370 2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.596 -4.346 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 126 7.916 -2.649 0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 126 8.906 -6.089 -0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 126 9.621 -1.958 -1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.168 -6.680 -2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 126 10.880 -2.545 -3.306 1.00 0.00 H new ATOM 0 HH TYR A 126 11.628 -4.161 -4.614 1.00 0.00 H new ATOM 1403 N ILE A 127 11.257 -4.922 1.671 1.00 0.00 N ATOM 1404 CA ILE A 127 12.049 -6.135 1.828 1.00 0.00 C ATOM 1405 C ILE A 127 11.647 -6.895 3.088 1.00 0.00 C ATOM 1406 O ILE A 127 11.240 -8.056 3.039 1.00 0.00 O ATOM 1407 CB ILE A 127 13.555 -5.820 1.891 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.166 -5.862 0.489 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.264 -6.800 2.814 1.00 0.00 C ATOM 1410 CD1 ILE A 127 14.116 -7.232 -0.151 1.00 0.00 C ATOM 0 H ILE A 127 11.781 -4.118 1.325 1.00 0.00 H new ATOM 0 HA ILE A 127 11.852 -6.755 0.954 1.00 0.00 H new ATOM 0 HB ILE A 127 13.684 -4.815 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.640 -5.152 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.204 -5.533 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.328 -6.564 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.844 -6.724 3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.129 -7.815 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.566 -7.187 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.667 -7.942 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.079 -7.555 -0.238 1.00 0.00 H new ATOM 1422 N PRO A 128 11.762 -6.225 4.245 1.00 0.00 N ATOM 1423 CA PRO A 128 11.413 -6.817 5.540 1.00 0.00 C ATOM 1424 C PRO A 128 9.911 -7.026 5.696 1.00 0.00 C ATOM 1425 O PRO A 128 9.470 -7.991 6.321 1.00 0.00 O ATOM 1426 CB PRO A 128 11.918 -5.783 6.549 1.00 0.00 C ATOM 1427 CG PRO A 128 11.915 -4.493 5.804 1.00 0.00 C ATOM 1428 CD PRO A 128 12.240 -4.839 4.377 1.00 0.00 C ATOM 0 HA PRO A 128 11.851 -7.807 5.668 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.271 -5.736 7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 128 12.918 -6.032 6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 128 10.944 -4.003 5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 128 12.651 -3.803 6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.737 -4.172 3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.309 -4.762 4.178 1.00 0.00 H new ATOM 1436 N TYR A 129 9.130 -6.116 5.124 1.00 0.00 N ATOM 1437 CA TYR A 129 7.676 -6.200 5.202 1.00 0.00 C ATOM 1438 C TYR A 129 7.126 -7.138 4.132 1.00 0.00 C ATOM 1439 O TYR A 129 5.913 -7.272 3.973 1.00 0.00 O ATOM 1440 CB TYR A 129 7.055 -4.811 5.047 1.00 0.00 C ATOM 1441 CG TYR A 129 7.222 -3.933 6.267 1.00 0.00 C ATOM 1442 CD1 TYR A 129 6.474 -4.157 7.416 1.00 0.00 C ATOM 1443 CD2 TYR A 129 8.129 -2.880 6.271 1.00 0.00 C ATOM 1444 CE1 TYR A 129 6.622 -3.357 8.532 1.00 0.00 C ATOM 1445 CE2 TYR A 129 8.285 -2.076 7.383 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.529 -2.318 8.511 1.00 0.00 C ATOM 1447 OH TYR A 129 7.681 -1.520 9.622 1.00 0.00 O ATOM 0 H TYR A 129 9.479 -5.312 4.602 1.00 0.00 H new ATOM 0 HA TYR A 129 7.413 -6.601 6.181 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.506 -4.314 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.992 -4.920 4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.764 -4.971 7.437 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.722 -2.687 5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 129 6.031 -3.544 9.416 1.00 0.00 H new ATOM 0 HE2 TYR A 129 8.995 -1.262 7.369 1.00 0.00 H new ATOM 0 HH TYR A 129 8.360 -0.836 9.443 1.00 0.00 H new ATOM 1457 N GLN A 130 8.028 -7.784 3.401 1.00 0.00 N ATOM 1458 CA GLN A 130 7.634 -8.709 2.345 1.00 0.00 C ATOM 1459 C GLN A 130 7.088 -10.006 2.934 1.00 0.00 C ATOM 1460 O GLN A 130 7.492 -10.426 4.019 1.00 0.00 O ATOM 1461 CB GLN A 130 8.824 -9.011 1.432 1.00 0.00 C ATOM 1462 CG GLN A 130 8.427 -9.325 -0.001 1.00 0.00 C ATOM 1463 CD GLN A 130 9.560 -9.938 -0.800 1.00 0.00 C ATOM 1464 OE1 GLN A 130 10.792 -9.643 -0.402 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 9.331 -10.668 -1.765 1.00 0.00 N flip ATOM 0 H GLN A 130 9.036 -7.684 3.520 1.00 0.00 H new ATOM 0 HA GLN A 130 6.846 -8.237 1.758 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.499 -8.155 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 130 9.379 -9.856 1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.579 -10.009 0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.096 -8.409 -0.491 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.368 -10.868 -2.036 1.00 0.00 H new ATOM 0 HE22 GLN A 130 10.104 -11.072 -2.293 1.00 0.00 H new ATOM 1474 N LEU A 131 6.169 -10.637 2.211 1.00 0.00 N ATOM 1475 CA LEU A 131 5.566 -11.886 2.662 1.00 0.00 C ATOM 1476 C LEU A 131 5.870 -13.020 1.687 1.00 0.00 C ATOM 1477 O LEU A 131 6.400 -12.791 0.600 1.00 0.00 O ATOM 1478 CB LEU A 131 4.053 -11.720 2.814 1.00 0.00 C ATOM 1479 CG LEU A 131 3.578 -11.048 4.103 1.00 0.00 C ATOM 1480 CD1 LEU A 131 2.120 -10.633 3.982 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.773 -11.977 5.292 1.00 0.00 C ATOM 0 H LEU A 131 5.825 -10.304 1.310 1.00 0.00 H new ATOM 0 HA LEU A 131 5.996 -12.139 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.684 -11.140 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.591 -12.705 2.750 1.00 0.00 H new ATOM 0 HG LEU A 131 4.177 -10.152 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.799 -10.157 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.009 -9.931 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.505 -11.514 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.430 -11.482 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.199 -12.891 5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.830 -12.224 5.391 1.00 0.00 H new ATOM 1493 N TYR A 132 5.528 -14.241 2.083 1.00 0.00 N ATOM 1494 CA TYR A 132 5.764 -15.410 1.244 1.00 0.00 C ATOM 1495 C TYR A 132 7.044 -15.248 0.431 1.00 0.00 C ATOM 1496 O TYR A 132 7.098 -15.610 -0.745 1.00 0.00 O ATOM 1497 CB TYR A 132 4.577 -15.640 0.308 1.00 0.00 C ATOM 1498 CG TYR A 132 3.246 -15.709 1.022 1.00 0.00 C ATOM 1499 CD1 TYR A 132 2.997 -16.691 1.973 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.238 -14.793 0.746 1.00 0.00 C ATOM 1501 CE1 TYR A 132 1.782 -16.758 2.628 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.021 -14.853 1.397 1.00 0.00 C ATOM 1503 CZ TYR A 132 0.798 -15.837 2.337 1.00 0.00 C ATOM 1504 OH TYR A 132 -0.414 -15.900 2.987 1.00 0.00 O ATOM 0 H TYR A 132 5.087 -14.447 2.979 1.00 0.00 H new ATOM 0 HA TYR A 132 5.877 -16.276 1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 132 4.544 -14.836 -0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.733 -16.568 -0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 132 3.766 -17.414 2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.409 -14.021 0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.604 -17.528 3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.248 -14.133 1.171 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.839 -16.764 2.804 1.00 0.00 H new ATOM 1514 N THR A 133 8.076 -14.700 1.066 1.00 0.00 N ATOM 1515 CA THR A 133 9.356 -14.488 0.403 1.00 0.00 C ATOM 1516 C THR A 133 9.879 -15.783 -0.209 1.00 0.00 C ATOM 1517 O THR A 133 10.810 -15.769 -1.015 1.00 0.00 O ATOM 1518 CB THR A 133 10.410 -13.934 1.381 1.00 0.00 C ATOM 1519 OG1 THR A 133 10.687 -14.899 2.401 1.00 0.00 O ATOM 1520 CG2 THR A 133 9.929 -12.639 2.017 1.00 0.00 C ATOM 0 H THR A 133 8.050 -14.395 2.039 1.00 0.00 H new ATOM 0 HA THR A 133 9.185 -13.758 -0.388 1.00 0.00 H new ATOM 0 HB THR A 133 11.322 -13.728 0.820 1.00 0.00 H new ATOM 0 HG1 THR A 133 11.359 -14.540 3.017 1.00 0.00 H new ATOM 0 HG21 THR A 133 10.689 -12.266 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 133 9.748 -11.897 1.239 1.00 0.00 H new ATOM 0 HG23 THR A 133 9.005 -12.824 2.565 1.00 0.00 H new TER 1528 THR A 133