USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 686 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 60 MET CE :methyl -167:sc= -0.632 (180deg=-1.11) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.0386 USER MOD Set 1.3: A 63 ASN : amide:sc= 0.614 K(o=0.021,f=-4.8!) USER MOD Set 2.1: A 26 SER OG : rot 7:sc= 0.7 USER MOD Set 2.2: A 34 GLN : amide:sc= 0 X(o=0.7,f=0.61) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.068 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.903 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 87:sc= 1.02 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0166 K(o=-0.017,f=-2.7!) USER MOD Single : A 11 CYS SG : rot 30:sc= 0.179 USER MOD Single : A 15 GLN : amide:sc= -1.95 K(o=-1.9,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= -0.103 (180deg=-0.103) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -110:sc= -0.534 (180deg=-1.91!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 166:sc=-0.00751 (180deg=-0.162) USER MOD Single : A 57 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.36) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.445 USER MOD Single : A 65 SER OG : rot -32:sc= 0.0619 USER MOD Single : A 66 HIS : no HD1:sc= -8.78! C(o=-8.8!,f=-7.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -145:sc= -1 (180deg=-3.04!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -150:sc= -0.991 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 42:sc= 0.737 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.481 8.151 -16.125 1.00 0.00 N ATOM 2 CA GLY A 1 -13.317 7.108 -15.561 1.00 0.00 C ATOM 3 C GLY A 1 -14.587 6.888 -16.359 1.00 0.00 C ATOM 4 O GLY A 1 -14.920 7.680 -17.240 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.514 7.790 -16.253 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.866 8.444 -17.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.463 8.968 -15.481 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.752 6.177 -15.519 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.577 7.370 -14.535 1.00 0.00 H new ATOM 8 N SER A 2 -15.298 5.808 -16.051 1.00 0.00 N ATOM 9 CA SER A 2 -16.536 5.483 -16.749 1.00 0.00 C ATOM 10 C SER A 2 -17.402 4.546 -15.912 1.00 0.00 C ATOM 11 O SER A 2 -16.965 4.034 -14.882 1.00 0.00 O ATOM 12 CB SER A 2 -16.229 4.838 -18.102 1.00 0.00 C ATOM 13 OG SER A 2 -15.888 5.818 -19.068 1.00 0.00 O ATOM 0 H SER A 2 -15.038 5.143 -15.323 1.00 0.00 H new ATOM 0 HA SER A 2 -17.086 6.410 -16.912 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.408 4.129 -17.993 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.096 4.272 -18.444 1.00 0.00 H new ATOM 0 HG SER A 2 -15.631 6.648 -18.615 1.00 0.00 H new ATOM 19 N SER A 3 -18.633 4.328 -16.364 1.00 0.00 N ATOM 20 CA SER A 3 -19.563 3.456 -15.656 1.00 0.00 C ATOM 21 C SER A 3 -19.149 1.994 -15.792 1.00 0.00 C ATOM 22 O SER A 3 -18.332 1.645 -16.643 1.00 0.00 O ATOM 23 CB SER A 3 -20.984 3.648 -16.191 1.00 0.00 C ATOM 24 OG SER A 3 -21.371 5.010 -16.133 1.00 0.00 O ATOM 0 H SER A 3 -19.009 4.743 -17.217 1.00 0.00 H new ATOM 0 HA SER A 3 -19.541 3.724 -14.600 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.039 3.295 -17.221 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.680 3.044 -15.609 1.00 0.00 H new ATOM 0 HG SER A 3 -22.282 5.106 -16.482 1.00 0.00 H new ATOM 30 N GLY A 4 -19.721 1.142 -14.946 1.00 0.00 N ATOM 31 CA GLY A 4 -19.399 -0.272 -14.987 1.00 0.00 C ATOM 32 C GLY A 4 -18.872 -0.786 -13.662 1.00 0.00 C ATOM 33 O GLY A 4 -19.635 -1.281 -12.832 1.00 0.00 O ATOM 0 H GLY A 4 -20.401 1.406 -14.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.290 -0.836 -15.264 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.655 -0.450 -15.764 1.00 0.00 H new ATOM 37 N SER A 5 -17.563 -0.670 -13.463 1.00 0.00 N ATOM 38 CA SER A 5 -16.933 -1.132 -12.231 1.00 0.00 C ATOM 39 C SER A 5 -17.786 -0.775 -11.018 1.00 0.00 C ATOM 40 O SER A 5 -18.322 0.330 -10.925 1.00 0.00 O ATOM 41 CB SER A 5 -15.538 -0.521 -12.086 1.00 0.00 C ATOM 42 OG SER A 5 -15.615 0.833 -11.676 1.00 0.00 O ATOM 0 H SER A 5 -16.918 -0.260 -14.139 1.00 0.00 H new ATOM 0 HA SER A 5 -16.843 -2.217 -12.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.961 -1.092 -11.359 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.008 -0.587 -13.036 1.00 0.00 H new ATOM 0 HG SER A 5 -15.664 0.876 -10.698 1.00 0.00 H new ATOM 48 N SER A 6 -17.908 -1.718 -10.089 1.00 0.00 N ATOM 49 CA SER A 6 -18.699 -1.505 -8.883 1.00 0.00 C ATOM 50 C SER A 6 -18.170 -0.314 -8.090 1.00 0.00 C ATOM 51 O SER A 6 -18.922 0.594 -7.737 1.00 0.00 O ATOM 52 CB SER A 6 -18.683 -2.761 -8.009 1.00 0.00 C ATOM 53 OG SER A 6 -19.626 -2.662 -6.956 1.00 0.00 O ATOM 0 H SER A 6 -17.469 -2.637 -10.149 1.00 0.00 H new ATOM 0 HA SER A 6 -19.725 -1.293 -9.184 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.906 -3.636 -8.620 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.685 -2.907 -7.595 1.00 0.00 H new ATOM 0 HG SER A 6 -19.597 -3.478 -6.413 1.00 0.00 H new ATOM 59 N GLY A 7 -16.870 -0.325 -7.813 1.00 0.00 N ATOM 60 CA GLY A 7 -16.261 0.759 -7.064 1.00 0.00 C ATOM 61 C GLY A 7 -15.485 1.712 -7.950 1.00 0.00 C ATOM 62 O GLY A 7 -15.777 1.843 -9.139 1.00 0.00 O ATOM 0 H GLY A 7 -16.227 -1.065 -8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.037 1.311 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.593 0.344 -6.309 1.00 0.00 H new ATOM 66 N VAL A 8 -14.494 2.382 -7.371 1.00 0.00 N ATOM 67 CA VAL A 8 -13.673 3.330 -8.116 1.00 0.00 C ATOM 68 C VAL A 8 -12.224 3.293 -7.643 1.00 0.00 C ATOM 69 O VAL A 8 -11.933 3.591 -6.485 1.00 0.00 O ATOM 70 CB VAL A 8 -14.210 4.767 -7.980 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.307 5.747 -8.713 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.638 4.853 -8.499 1.00 0.00 C ATOM 0 H VAL A 8 -14.240 2.286 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.718 3.032 -9.163 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.215 5.036 -6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.703 6.757 -8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.303 5.704 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.267 5.484 -9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.002 5.875 -8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.661 4.564 -9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.275 4.181 -7.924 1.00 0.00 H new ATOM 82 N GLN A 9 -11.321 2.927 -8.547 1.00 0.00 N ATOM 83 CA GLN A 9 -9.902 2.851 -8.221 1.00 0.00 C ATOM 84 C GLN A 9 -9.101 3.857 -9.041 1.00 0.00 C ATOM 85 O GLN A 9 -9.380 4.073 -10.220 1.00 0.00 O ATOM 86 CB GLN A 9 -9.375 1.437 -8.468 1.00 0.00 C ATOM 87 CG GLN A 9 -9.673 0.912 -9.863 1.00 0.00 C ATOM 88 CD GLN A 9 -9.200 -0.514 -10.064 1.00 0.00 C ATOM 89 OE1 GLN A 9 -7.999 -0.777 -10.138 1.00 0.00 O ATOM 90 NE2 GLN A 9 -10.143 -1.444 -10.152 1.00 0.00 N ATOM 0 H GLN A 9 -11.547 2.679 -9.510 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.784 3.095 -7.165 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.297 1.427 -8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.813 0.761 -7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.747 0.964 -10.045 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.194 1.557 -10.600 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -11.126 -1.181 -10.085 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.884 -2.421 -10.286 1.00 0.00 H new ATOM 99 N ARG A 10 -8.104 4.468 -8.410 1.00 0.00 N ATOM 100 CA ARG A 10 -7.263 5.452 -9.081 1.00 0.00 C ATOM 101 C ARG A 10 -5.799 5.024 -9.055 1.00 0.00 C ATOM 102 O ARG A 10 -5.419 4.120 -8.310 1.00 0.00 O ATOM 103 CB ARG A 10 -7.417 6.822 -8.419 1.00 0.00 C ATOM 104 CG ARG A 10 -7.102 6.819 -6.932 1.00 0.00 C ATOM 105 CD ARG A 10 -7.442 8.154 -6.288 1.00 0.00 C ATOM 106 NE ARG A 10 -6.970 8.232 -4.908 1.00 0.00 N ATOM 107 CZ ARG A 10 -7.550 7.595 -3.897 1.00 0.00 C ATOM 108 NH1 ARG A 10 -8.616 6.837 -4.110 1.00 0.00 N ATOM 109 NH2 ARG A 10 -7.062 7.715 -2.669 1.00 0.00 N ATOM 0 H ARG A 10 -7.859 4.299 -7.434 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.585 5.520 -10.120 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.760 7.534 -8.919 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.438 7.174 -8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.663 6.024 -6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.044 6.601 -6.783 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.996 8.961 -6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.522 8.303 -6.311 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.151 8.807 -4.710 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.994 6.741 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.059 6.349 -3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.241 8.297 -2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.508 7.226 -1.893 1.00 0.00 H new ATOM 123 N CYS A 11 -4.982 5.678 -9.873 1.00 0.00 N ATOM 124 CA CYS A 11 -3.560 5.365 -9.945 1.00 0.00 C ATOM 125 C CYS A 11 -2.725 6.476 -9.317 1.00 0.00 C ATOM 126 O CYS A 11 -2.880 7.650 -9.655 1.00 0.00 O ATOM 127 CB CYS A 11 -3.136 5.152 -11.399 1.00 0.00 C ATOM 128 SG CYS A 11 -3.374 6.599 -12.456 1.00 0.00 S ATOM 0 H CYS A 11 -5.280 6.429 -10.496 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.388 4.446 -9.385 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.084 4.868 -11.422 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.701 4.316 -11.812 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.252 7.681 -11.745 1.00 0.00 H new ATOM 134 N VAL A 12 -1.842 6.099 -8.398 1.00 0.00 N ATOM 135 CA VAL A 12 -0.983 7.064 -7.722 1.00 0.00 C ATOM 136 C VAL A 12 0.487 6.688 -7.867 1.00 0.00 C ATOM 137 O VAL A 12 0.833 5.508 -7.935 1.00 0.00 O ATOM 138 CB VAL A 12 -1.328 7.169 -6.224 1.00 0.00 C ATOM 139 CG1 VAL A 12 -0.984 5.875 -5.504 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.605 8.349 -5.593 1.00 0.00 C ATOM 0 H VAL A 12 -1.703 5.132 -8.104 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.157 8.029 -8.197 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.401 7.335 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.235 5.969 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.552 5.054 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.082 5.674 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.860 8.408 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.472 8.216 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.908 9.270 -6.091 1.00 0.00 H new ATOM 150 N ILE A 13 1.349 7.699 -7.915 1.00 0.00 N ATOM 151 CA ILE A 13 2.782 7.474 -8.051 1.00 0.00 C ATOM 152 C ILE A 13 3.547 8.081 -6.880 1.00 0.00 C ATOM 153 O ILE A 13 3.264 9.202 -6.455 1.00 0.00 O ATOM 154 CB ILE A 13 3.323 8.067 -9.366 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.778 7.287 -10.564 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.844 8.055 -9.366 1.00 0.00 C ATOM 157 CD1 ILE A 13 3.300 7.782 -11.895 1.00 0.00 C ATOM 0 H ILE A 13 1.079 8.681 -7.862 1.00 0.00 H new ATOM 0 HA ILE A 13 2.933 6.394 -8.060 1.00 0.00 H new ATOM 0 HB ILE A 13 2.988 9.101 -9.447 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.037 6.234 -10.450 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.690 7.350 -10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.211 8.477 -10.302 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.213 8.650 -8.530 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.200 7.030 -9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.872 7.183 -12.699 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.018 8.826 -12.031 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.386 7.694 -11.915 1.00 0.00 H new ATOM 169 N ILE A 14 4.519 7.336 -6.365 1.00 0.00 N ATOM 170 CA ILE A 14 5.327 7.802 -5.245 1.00 0.00 C ATOM 171 C ILE A 14 6.804 7.498 -5.469 1.00 0.00 C ATOM 172 O ILE A 14 7.177 6.361 -5.758 1.00 0.00 O ATOM 173 CB ILE A 14 4.877 7.159 -3.920 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.363 7.298 -3.748 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.609 7.795 -2.747 1.00 0.00 C ATOM 176 CD1 ILE A 14 2.776 6.323 -2.752 1.00 0.00 C ATOM 0 H ILE A 14 4.766 6.407 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 14 5.186 8.881 -5.182 1.00 0.00 H new ATOM 0 HB ILE A 14 5.125 6.098 -3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.134 8.314 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.881 7.152 -4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.280 7.330 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.683 7.649 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.389 8.862 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.700 6.479 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.974 5.303 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.231 6.483 -1.774 1.00 0.00 H new ATOM 188 N GLN A 15 7.641 8.522 -5.332 1.00 0.00 N ATOM 189 CA GLN A 15 9.078 8.363 -5.518 1.00 0.00 C ATOM 190 C GLN A 15 9.796 8.282 -4.175 1.00 0.00 C ATOM 191 O GLN A 15 9.316 8.806 -3.170 1.00 0.00 O ATOM 192 CB GLN A 15 9.639 9.525 -6.339 1.00 0.00 C ATOM 193 CG GLN A 15 9.923 10.771 -5.516 1.00 0.00 C ATOM 194 CD GLN A 15 8.658 11.472 -5.062 1.00 0.00 C ATOM 195 OE1 GLN A 15 8.307 11.442 -3.882 1.00 0.00 O ATOM 196 NE2 GLN A 15 7.965 12.109 -5.999 1.00 0.00 N ATOM 0 H GLN A 15 7.349 9.470 -5.093 1.00 0.00 H new ATOM 0 HA GLN A 15 9.247 7.431 -6.057 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.560 9.204 -6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.931 9.775 -7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.516 10.498 -4.643 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.525 11.462 -6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.293 12.108 -6.965 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.105 12.599 -5.753 1.00 0.00 H new ATOM 205 N LYS A 16 10.948 7.620 -4.164 1.00 0.00 N ATOM 206 CA LYS A 16 11.734 7.470 -2.945 1.00 0.00 C ATOM 207 C LYS A 16 12.299 8.813 -2.493 1.00 0.00 C ATOM 208 O LYS A 16 12.657 9.655 -3.316 1.00 0.00 O ATOM 209 CB LYS A 16 12.874 6.474 -3.168 1.00 0.00 C ATOM 210 CG LYS A 16 12.431 5.022 -3.121 1.00 0.00 C ATOM 211 CD LYS A 16 13.618 4.080 -3.003 1.00 0.00 C ATOM 212 CE LYS A 16 14.346 3.932 -4.330 1.00 0.00 C ATOM 213 NZ LYS A 16 13.774 2.833 -5.157 1.00 0.00 N ATOM 0 H LYS A 16 11.358 7.178 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 16 11.076 7.091 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.335 6.673 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.640 6.636 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.761 4.872 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.865 4.784 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.308 4.456 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.276 3.102 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.288 4.870 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.402 3.735 -4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.297 2.764 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.852 1.934 -4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.773 3.033 -5.355 1.00 0.00 H new ATOM 227 N ASP A 17 12.376 9.006 -1.181 1.00 0.00 N ATOM 228 CA ASP A 17 12.900 10.245 -0.620 1.00 0.00 C ATOM 229 C ASP A 17 14.264 10.016 0.024 1.00 0.00 C ATOM 230 O ASP A 17 14.817 8.919 -0.046 1.00 0.00 O ATOM 231 CB ASP A 17 11.925 10.815 0.412 1.00 0.00 C ATOM 232 CG ASP A 17 10.869 11.702 -0.218 1.00 0.00 C ATOM 233 OD1 ASP A 17 11.036 12.078 -1.397 1.00 0.00 O ATOM 234 OD2 ASP A 17 9.875 12.018 0.468 1.00 0.00 O ATOM 0 H ASP A 17 12.082 8.320 -0.486 1.00 0.00 H new ATOM 0 HA ASP A 17 13.017 10.962 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.439 9.995 0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.480 11.388 1.155 1.00 0.00 H new ATOM 239 N GLN A 18 14.801 11.060 0.649 1.00 0.00 N ATOM 240 CA GLN A 18 16.101 10.972 1.302 1.00 0.00 C ATOM 241 C GLN A 18 16.274 9.622 1.991 1.00 0.00 C ATOM 242 O GLN A 18 17.386 9.102 2.089 1.00 0.00 O ATOM 243 CB GLN A 18 16.260 12.102 2.321 1.00 0.00 C ATOM 244 CG GLN A 18 17.705 12.376 2.705 1.00 0.00 C ATOM 245 CD GLN A 18 17.918 13.791 3.205 1.00 0.00 C ATOM 246 OE1 GLN A 18 17.107 14.322 3.965 1.00 0.00 O ATOM 247 NE2 GLN A 18 19.013 14.411 2.781 1.00 0.00 N ATOM 0 H GLN A 18 14.356 11.975 0.716 1.00 0.00 H new ATOM 0 HA GLN A 18 16.871 11.070 0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 18 15.822 13.013 1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.695 11.852 3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 18 18.011 11.672 3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 18 18.346 12.200 1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.658 13.933 2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.209 15.365 3.085 1.00 0.00 H new ATOM 256 N HIS A 19 15.168 9.060 2.466 1.00 0.00 N ATOM 257 CA HIS A 19 15.198 7.769 3.146 1.00 0.00 C ATOM 258 C HIS A 19 14.468 6.708 2.328 1.00 0.00 C ATOM 259 O HIS A 19 14.746 5.516 2.451 1.00 0.00 O ATOM 260 CB HIS A 19 14.566 7.885 4.533 1.00 0.00 C ATOM 261 CG HIS A 19 15.509 8.394 5.580 1.00 0.00 C ATOM 262 ND1 HIS A 19 16.239 7.562 6.403 1.00 0.00 N ATOM 263 CD2 HIS A 19 15.841 9.657 5.934 1.00 0.00 C ATOM 264 CE1 HIS A 19 16.978 8.293 7.220 1.00 0.00 C ATOM 265 NE2 HIS A 19 16.755 9.568 6.955 1.00 0.00 N ATOM 0 H HIS A 19 14.240 9.477 2.393 1.00 0.00 H new ATOM 0 HA HIS A 19 16.240 7.466 3.254 1.00 0.00 H new ATOM 0 HB2 HIS A 19 13.705 8.551 4.476 1.00 0.00 H new ATOM 0 HB3 HIS A 19 14.193 6.907 4.836 1.00 0.00 H new ATOM 0 HD2 HIS A 19 15.458 10.566 5.495 1.00 0.00 H new ATOM 0 HE1 HIS A 19 17.650 7.913 7.975 1.00 0.00 H new ATOM 0 HE2 HIS A 19 17.191 10.358 7.431 1.00 0.00 H new ATOM 274 N GLY A 20 13.531 7.150 1.494 1.00 0.00 N ATOM 275 CA GLY A 20 12.775 6.226 0.670 1.00 0.00 C ATOM 276 C GLY A 20 11.278 6.383 0.846 1.00 0.00 C ATOM 277 O GLY A 20 10.794 7.468 1.171 1.00 0.00 O ATOM 0 H GLY A 20 13.282 8.132 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.033 6.383 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.062 5.204 0.919 1.00 0.00 H new ATOM 281 N PHE A 21 10.541 5.299 0.630 1.00 0.00 N ATOM 282 CA PHE A 21 9.089 5.322 0.764 1.00 0.00 C ATOM 283 C PHE A 21 8.679 5.397 2.232 1.00 0.00 C ATOM 284 O PHE A 21 8.872 4.448 2.990 1.00 0.00 O ATOM 285 CB PHE A 21 8.476 4.080 0.114 1.00 0.00 C ATOM 286 CG PHE A 21 8.959 3.836 -1.287 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.704 4.755 -2.292 1.00 0.00 C ATOM 288 CD2 PHE A 21 9.668 2.688 -1.600 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.146 4.533 -3.582 1.00 0.00 C ATOM 290 CE2 PHE A 21 10.114 2.460 -2.888 1.00 0.00 C ATOM 291 CZ PHE A 21 9.853 3.384 -3.880 1.00 0.00 C ATOM 0 H PHE A 21 10.925 4.393 0.361 1.00 0.00 H new ATOM 0 HA PHE A 21 8.716 6.211 0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.707 3.208 0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.391 4.184 0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.153 5.656 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.875 1.962 -0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.939 5.257 -4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.666 1.561 -3.118 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.201 3.209 -4.887 1.00 0.00 H new ATOM 301 N GLY A 22 8.112 6.533 2.625 1.00 0.00 N ATOM 302 CA GLY A 22 7.685 6.712 4.000 1.00 0.00 C ATOM 303 C GLY A 22 6.580 5.752 4.393 1.00 0.00 C ATOM 304 O GLY A 22 6.341 5.521 5.578 1.00 0.00 O ATOM 0 H GLY A 22 7.941 7.333 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.538 6.571 4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.339 7.736 4.139 1.00 0.00 H new ATOM 308 N PHE A 23 5.902 5.193 3.396 1.00 0.00 N ATOM 309 CA PHE A 23 4.813 4.254 3.644 1.00 0.00 C ATOM 310 C PHE A 23 5.317 2.815 3.602 1.00 0.00 C ATOM 311 O PHE A 23 6.214 2.480 2.827 1.00 0.00 O ATOM 312 CB PHE A 23 3.700 4.448 2.612 1.00 0.00 C ATOM 313 CG PHE A 23 3.938 3.707 1.328 1.00 0.00 C ATOM 314 CD1 PHE A 23 4.925 4.119 0.447 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.175 2.598 1.001 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.146 3.439 -0.736 1.00 0.00 C ATOM 317 CE2 PHE A 23 3.391 1.913 -0.181 1.00 0.00 C ATOM 318 CZ PHE A 23 4.378 2.334 -1.050 1.00 0.00 C ATOM 0 H PHE A 23 6.087 5.373 2.409 1.00 0.00 H new ATOM 0 HA PHE A 23 4.414 4.452 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.755 4.118 3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.598 5.511 2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.529 4.982 0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.402 2.264 1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.918 3.771 -1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.789 1.050 -0.424 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.549 1.801 -1.973 1.00 0.00 H new ATOM 328 N THR A 24 4.733 1.965 4.441 1.00 0.00 N ATOM 329 CA THR A 24 5.122 0.562 4.502 1.00 0.00 C ATOM 330 C THR A 24 3.910 -0.351 4.358 1.00 0.00 C ATOM 331 O THR A 24 2.768 0.093 4.474 1.00 0.00 O ATOM 332 CB THR A 24 5.842 0.235 5.824 1.00 0.00 C ATOM 333 OG1 THR A 24 5.032 0.636 6.935 1.00 0.00 O ATOM 334 CG2 THR A 24 7.190 0.937 5.894 1.00 0.00 C ATOM 0 H THR A 24 3.988 2.224 5.088 1.00 0.00 H new ATOM 0 HA THR A 24 5.806 0.388 3.672 1.00 0.00 H new ATOM 0 HB THR A 24 6.008 -0.842 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.496 0.423 7.772 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.680 0.691 6.836 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.815 0.608 5.064 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.042 2.015 5.832 1.00 0.00 H new ATOM 342 N VAL A 25 4.166 -1.631 4.105 1.00 0.00 N ATOM 343 CA VAL A 25 3.095 -2.608 3.947 1.00 0.00 C ATOM 344 C VAL A 25 3.408 -3.894 4.703 1.00 0.00 C ATOM 345 O VAL A 25 4.541 -4.114 5.131 1.00 0.00 O ATOM 346 CB VAL A 25 2.857 -2.944 2.463 1.00 0.00 C ATOM 347 CG1 VAL A 25 2.228 -1.761 1.742 1.00 0.00 C ATOM 348 CG2 VAL A 25 4.160 -3.355 1.794 1.00 0.00 C ATOM 0 H VAL A 25 5.106 -2.015 4.005 1.00 0.00 H new ATOM 0 HA VAL A 25 2.192 -2.158 4.360 1.00 0.00 H new ATOM 0 HB VAL A 25 2.165 -3.784 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.067 -2.017 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.273 -1.518 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.893 -0.900 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.973 -3.589 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.877 -2.537 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.565 -4.234 2.295 1.00 0.00 H new ATOM 358 N SER A 26 2.396 -4.741 4.865 1.00 0.00 N ATOM 359 CA SER A 26 2.562 -6.005 5.573 1.00 0.00 C ATOM 360 C SER A 26 1.360 -6.916 5.346 1.00 0.00 C ATOM 361 O SER A 26 0.222 -6.541 5.623 1.00 0.00 O ATOM 362 CB SER A 26 2.752 -5.753 7.070 1.00 0.00 C ATOM 363 OG SER A 26 1.515 -5.461 7.698 1.00 0.00 O ATOM 0 H SER A 26 1.452 -4.575 4.515 1.00 0.00 H new ATOM 0 HA SER A 26 3.450 -6.501 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.202 -6.630 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.443 -4.923 7.218 1.00 0.00 H new ATOM 0 HG SER A 26 0.785 -5.585 7.056 1.00 0.00 H new ATOM 369 N GLY A 27 1.623 -8.118 4.841 1.00 0.00 N ATOM 370 CA GLY A 27 0.554 -9.065 4.585 1.00 0.00 C ATOM 371 C GLY A 27 0.975 -10.173 3.639 1.00 0.00 C ATOM 372 O GLY A 27 2.101 -10.179 3.141 1.00 0.00 O ATOM 0 H GLY A 27 2.557 -8.452 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.226 -9.502 5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.302 -8.537 4.164 1.00 0.00 H new ATOM 376 N ASP A 28 0.070 -11.113 3.393 1.00 0.00 N ATOM 377 CA ASP A 28 0.354 -12.232 2.501 1.00 0.00 C ATOM 378 C ASP A 28 -0.726 -12.361 1.431 1.00 0.00 C ATOM 379 O ASP A 28 -0.426 -12.568 0.255 1.00 0.00 O ATOM 380 CB ASP A 28 0.457 -13.533 3.298 1.00 0.00 C ATOM 381 CG ASP A 28 -0.870 -13.950 3.900 1.00 0.00 C ATOM 382 OD1 ASP A 28 -1.635 -14.662 3.216 1.00 0.00 O ATOM 383 OD2 ASP A 28 -1.146 -13.563 5.056 1.00 0.00 O ATOM 0 H ASP A 28 -0.866 -11.123 3.798 1.00 0.00 H new ATOM 0 HA ASP A 28 1.307 -12.040 2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.822 -14.327 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.191 -13.411 4.094 1.00 0.00 H new ATOM 388 N ARG A 29 -1.982 -12.238 1.846 1.00 0.00 N ATOM 389 CA ARG A 29 -3.106 -12.342 0.924 1.00 0.00 C ATOM 390 C ARG A 29 -3.755 -10.980 0.701 1.00 0.00 C ATOM 391 O ARG A 29 -4.178 -10.657 -0.409 1.00 0.00 O ATOM 392 CB ARG A 29 -4.142 -13.332 1.459 1.00 0.00 C ATOM 393 CG ARG A 29 -4.945 -14.022 0.369 1.00 0.00 C ATOM 394 CD ARG A 29 -6.191 -14.689 0.932 1.00 0.00 C ATOM 395 NE ARG A 29 -7.068 -13.733 1.601 1.00 0.00 N ATOM 396 CZ ARG A 29 -7.976 -14.078 2.508 1.00 0.00 C ATOM 397 NH1 ARG A 29 -8.124 -15.350 2.852 1.00 0.00 N ATOM 398 NH2 ARG A 29 -8.737 -13.150 3.073 1.00 0.00 N ATOM 0 H ARG A 29 -2.247 -12.066 2.816 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.727 -12.704 -0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.634 -14.088 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.826 -12.805 2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.232 -13.294 -0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.323 -14.768 -0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.736 -15.178 0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.899 -15.467 1.637 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.979 -12.746 1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.540 -16.066 2.420 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.822 -15.612 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.626 -12.170 2.811 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.434 -13.416 3.769 1.00 0.00 H new ATOM 412 N ILE A 30 -3.832 -10.186 1.764 1.00 0.00 N ATOM 413 CA ILE A 30 -4.429 -8.859 1.684 1.00 0.00 C ATOM 414 C ILE A 30 -3.437 -7.782 2.111 1.00 0.00 C ATOM 415 O ILE A 30 -3.324 -7.460 3.294 1.00 0.00 O ATOM 416 CB ILE A 30 -5.690 -8.755 2.562 1.00 0.00 C ATOM 417 CG1 ILE A 30 -6.687 -9.856 2.193 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.329 -7.383 2.412 1.00 0.00 C ATOM 419 CD1 ILE A 30 -7.289 -9.688 0.815 1.00 0.00 C ATOM 0 H ILE A 30 -3.488 -10.439 2.690 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.707 -8.701 0.642 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.400 -8.887 3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.185 -10.822 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.489 -9.872 2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.219 -7.326 3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.619 -6.615 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.608 -7.223 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.986 -10.503 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.819 -8.737 0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.496 -9.702 0.067 1.00 0.00 H new ATOM 431 N VAL A 31 -2.719 -7.228 1.139 1.00 0.00 N ATOM 432 CA VAL A 31 -1.738 -6.185 1.413 1.00 0.00 C ATOM 433 C VAL A 31 -2.419 -4.853 1.709 1.00 0.00 C ATOM 434 O VAL A 31 -3.267 -4.394 0.944 1.00 0.00 O ATOM 435 CB VAL A 31 -0.769 -6.001 0.230 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.234 -4.897 0.527 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.057 -7.309 -0.083 1.00 0.00 C ATOM 0 H VAL A 31 -2.798 -7.484 0.155 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.174 -6.504 2.289 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.346 -5.708 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.910 -4.782 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.296 -3.960 0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.808 -5.157 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.624 -7.161 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.508 -7.634 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.792 -8.070 -0.343 1.00 0.00 H new ATOM 447 N LEU A 32 -2.042 -4.238 2.824 1.00 0.00 N ATOM 448 CA LEU A 32 -2.616 -2.957 3.223 1.00 0.00 C ATOM 449 C LEU A 32 -1.556 -2.057 3.850 1.00 0.00 C ATOM 450 O LEU A 32 -0.833 -2.469 4.757 1.00 0.00 O ATOM 451 CB LEU A 32 -3.764 -3.175 4.209 1.00 0.00 C ATOM 452 CG LEU A 32 -4.981 -3.926 3.668 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.882 -4.375 4.807 1.00 0.00 C ATOM 454 CD2 LEU A 32 -5.752 -3.054 2.687 1.00 0.00 C ATOM 0 H LEU A 32 -1.341 -4.605 3.468 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.001 -2.466 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.378 -3.721 5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.095 -2.202 4.572 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.631 -4.813 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.742 -4.908 4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.326 -5.036 5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.224 -3.504 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.615 -3.604 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.090 -2.149 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.104 -2.783 1.854 1.00 0.00 H new ATOM 466 N VAL A 33 -1.470 -0.824 3.361 1.00 0.00 N ATOM 467 CA VAL A 33 -0.501 0.137 3.875 1.00 0.00 C ATOM 468 C VAL A 33 -0.498 0.152 5.399 1.00 0.00 C ATOM 469 O VAL A 33 -1.423 0.668 6.026 1.00 0.00 O ATOM 470 CB VAL A 33 -0.792 1.559 3.359 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.066 2.593 4.206 1.00 0.00 C ATOM 472 CG2 VAL A 33 -0.398 1.684 1.895 1.00 0.00 C ATOM 0 H VAL A 33 -2.060 -0.467 2.609 1.00 0.00 H new ATOM 0 HA VAL A 33 0.479 -0.178 3.515 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.863 1.746 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.283 3.592 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.402 2.517 5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.008 2.413 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.610 2.695 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.667 1.479 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.968 0.969 1.302 1.00 0.00 H new ATOM 482 N GLN A 34 0.548 -0.417 5.989 1.00 0.00 N ATOM 483 CA GLN A 34 0.671 -0.469 7.441 1.00 0.00 C ATOM 484 C GLN A 34 0.650 0.933 8.040 1.00 0.00 C ATOM 485 O GLN A 34 -0.190 1.247 8.883 1.00 0.00 O ATOM 486 CB GLN A 34 1.961 -1.188 7.840 1.00 0.00 C ATOM 487 CG GLN A 34 2.126 -1.355 9.342 1.00 0.00 C ATOM 488 CD GLN A 34 1.356 -2.543 9.885 1.00 0.00 C ATOM 489 OE1 GLN A 34 0.147 -2.465 10.107 1.00 0.00 O ATOM 490 NE2 GLN A 34 2.054 -3.651 10.101 1.00 0.00 N ATOM 0 H GLN A 34 1.322 -0.848 5.484 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.182 -1.024 7.832 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.979 -2.171 7.370 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.813 -0.632 7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.184 -1.474 9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.789 -0.448 9.844 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.054 -3.670 9.903 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.590 -4.483 10.465 1.00 0.00 H new ATOM 499 N SER A 35 1.581 1.774 7.598 1.00 0.00 N ATOM 500 CA SER A 35 1.672 3.142 8.093 1.00 0.00 C ATOM 501 C SER A 35 2.040 4.104 6.968 1.00 0.00 C ATOM 502 O SER A 35 2.433 3.683 5.879 1.00 0.00 O ATOM 503 CB SER A 35 2.707 3.233 9.216 1.00 0.00 C ATOM 504 OG SER A 35 2.123 2.937 10.473 1.00 0.00 O ATOM 0 H SER A 35 2.282 1.531 6.898 1.00 0.00 H new ATOM 0 HA SER A 35 0.695 3.426 8.485 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.524 2.539 9.019 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.137 4.234 9.238 1.00 0.00 H new ATOM 0 HG SER A 35 2.805 3.000 11.174 1.00 0.00 H new ATOM 510 N VAL A 36 1.911 5.399 7.238 1.00 0.00 N ATOM 511 CA VAL A 36 2.231 6.422 6.250 1.00 0.00 C ATOM 512 C VAL A 36 2.805 7.668 6.915 1.00 0.00 C ATOM 513 O VAL A 36 2.095 8.395 7.611 1.00 0.00 O ATOM 514 CB VAL A 36 0.990 6.817 5.428 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.291 8.021 4.549 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.510 5.641 4.590 1.00 0.00 C ATOM 0 H VAL A 36 1.587 5.765 8.133 1.00 0.00 H new ATOM 0 HA VAL A 36 2.978 5.994 5.582 1.00 0.00 H new ATOM 0 HB VAL A 36 0.192 7.092 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.402 8.285 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.583 8.864 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.104 7.778 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.368 5.938 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.303 5.332 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.251 4.809 5.245 1.00 0.00 H new ATOM 526 N ARG A 37 4.093 7.910 6.695 1.00 0.00 N ATOM 527 CA ARG A 37 4.762 9.068 7.274 1.00 0.00 C ATOM 528 C ARG A 37 3.846 10.289 7.261 1.00 0.00 C ATOM 529 O ARG A 37 3.106 10.529 6.307 1.00 0.00 O ATOM 530 CB ARG A 37 6.050 9.376 6.507 1.00 0.00 C ATOM 531 CG ARG A 37 7.135 10.006 7.366 1.00 0.00 C ATOM 532 CD ARG A 37 8.507 9.859 6.727 1.00 0.00 C ATOM 533 NE ARG A 37 9.582 9.975 7.708 1.00 0.00 N ATOM 534 CZ ARG A 37 9.778 9.103 8.691 1.00 0.00 C ATOM 535 NH1 ARG A 37 8.975 8.056 8.823 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.779 9.277 9.544 1.00 0.00 N ATOM 0 H ARG A 37 4.694 7.319 6.120 1.00 0.00 H new ATOM 0 HA ARG A 37 5.010 8.832 8.309 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.433 8.453 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.819 10.047 5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.914 11.063 7.516 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.139 9.538 8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.573 8.892 6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.633 10.622 5.959 1.00 0.00 H new ATOM 0 HE ARG A 37 10.218 10.769 7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.205 7.919 8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.128 7.388 9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.399 10.081 9.446 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.929 8.607 10.298 1.00 0.00 H new ATOM 550 N PRO A 38 3.896 11.078 8.344 1.00 0.00 N ATOM 551 CA PRO A 38 3.077 12.286 8.482 1.00 0.00 C ATOM 552 C PRO A 38 3.517 13.395 7.533 1.00 0.00 C ATOM 553 O PRO A 38 2.884 14.448 7.457 1.00 0.00 O ATOM 554 CB PRO A 38 3.304 12.705 9.936 1.00 0.00 C ATOM 555 CG PRO A 38 4.635 12.136 10.291 1.00 0.00 C ATOM 556 CD PRO A 38 4.755 10.852 9.519 1.00 0.00 C ATOM 0 HA PRO A 38 2.031 12.100 8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.296 13.790 10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.521 12.316 10.587 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.437 12.826 10.028 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.709 11.955 11.363 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.787 10.652 9.230 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.417 9.998 10.105 1.00 0.00 H new ATOM 564 N GLY A 39 4.606 13.152 6.810 1.00 0.00 N ATOM 565 CA GLY A 39 5.111 14.140 5.875 1.00 0.00 C ATOM 566 C GLY A 39 6.103 13.553 4.890 1.00 0.00 C ATOM 567 O GLY A 39 7.104 14.184 4.556 1.00 0.00 O ATOM 0 H GLY A 39 5.147 12.289 6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.276 14.578 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.588 14.949 6.428 1.00 0.00 H new ATOM 571 N GLY A 40 5.824 12.339 4.425 1.00 0.00 N ATOM 572 CA GLY A 40 6.710 11.686 3.478 1.00 0.00 C ATOM 573 C GLY A 40 6.289 11.911 2.040 1.00 0.00 C ATOM 574 O GLY A 40 5.598 12.883 1.733 1.00 0.00 O ATOM 0 H GLY A 40 5.001 11.796 4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.725 12.058 3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.732 10.616 3.684 1.00 0.00 H new ATOM 578 N ALA A 41 6.707 11.013 1.155 1.00 0.00 N ATOM 579 CA ALA A 41 6.369 11.118 -0.259 1.00 0.00 C ATOM 580 C ALA A 41 5.031 10.449 -0.555 1.00 0.00 C ATOM 581 O ALA A 41 4.375 10.765 -1.547 1.00 0.00 O ATOM 582 CB ALA A 41 7.469 10.503 -1.112 1.00 0.00 C ATOM 0 H ALA A 41 7.281 10.204 1.392 1.00 0.00 H new ATOM 0 HA ALA A 41 6.280 12.175 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.203 10.589 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.407 11.028 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.586 9.451 -0.852 1.00 0.00 H new ATOM 588 N ALA A 42 4.634 9.523 0.311 1.00 0.00 N ATOM 589 CA ALA A 42 3.373 8.810 0.142 1.00 0.00 C ATOM 590 C ALA A 42 2.187 9.703 0.490 1.00 0.00 C ATOM 591 O ALA A 42 1.260 9.856 -0.305 1.00 0.00 O ATOM 592 CB ALA A 42 3.359 7.553 1.000 1.00 0.00 C ATOM 0 H ALA A 42 5.167 9.249 1.136 1.00 0.00 H new ATOM 0 HA ALA A 42 3.283 8.523 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.412 7.030 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.180 6.900 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.475 7.827 2.049 1.00 0.00 H new ATOM 598 N MET A 43 2.223 10.290 1.682 1.00 0.00 N ATOM 599 CA MET A 43 1.151 11.169 2.133 1.00 0.00 C ATOM 600 C MET A 43 0.871 12.260 1.104 1.00 0.00 C ATOM 601 O MET A 43 -0.261 12.425 0.651 1.00 0.00 O ATOM 602 CB MET A 43 1.512 11.801 3.478 1.00 0.00 C ATOM 603 CG MET A 43 0.332 12.453 4.181 1.00 0.00 C ATOM 604 SD MET A 43 0.599 12.644 5.954 1.00 0.00 S ATOM 605 CE MET A 43 0.082 11.036 6.550 1.00 0.00 C ATOM 0 H MET A 43 2.983 10.173 2.352 1.00 0.00 H new ATOM 0 HA MET A 43 0.250 10.568 2.252 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.933 11.035 4.129 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.289 12.549 3.321 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.146 13.431 3.738 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.562 11.852 4.015 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.853 11.136 7.101 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.065 10.364 5.704 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.849 10.628 7.208 1.00 0.00 H new ATOM 615 N LYS A 44 1.911 13.002 0.739 1.00 0.00 N ATOM 616 CA LYS A 44 1.779 14.077 -0.238 1.00 0.00 C ATOM 617 C LYS A 44 1.202 13.553 -1.549 1.00 0.00 C ATOM 618 O LYS A 44 0.502 14.272 -2.261 1.00 0.00 O ATOM 619 CB LYS A 44 3.138 14.732 -0.493 1.00 0.00 C ATOM 620 CG LYS A 44 4.131 13.821 -1.194 1.00 0.00 C ATOM 621 CD LYS A 44 5.375 14.579 -1.626 1.00 0.00 C ATOM 622 CE LYS A 44 5.129 15.373 -2.900 1.00 0.00 C ATOM 623 NZ LYS A 44 5.193 14.511 -4.112 1.00 0.00 N ATOM 0 H LYS A 44 2.855 12.879 1.105 1.00 0.00 H new ATOM 0 HA LYS A 44 1.094 14.821 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.992 15.629 -1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.561 15.053 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.413 13.007 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.658 13.369 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.686 15.255 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.193 13.877 -1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.151 15.852 -2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.870 16.169 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.020 15.089 -4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.134 14.074 -4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.469 13.767 -4.047 1.00 0.00 H new ATOM 637 N ALA A 45 1.498 12.295 -1.860 1.00 0.00 N ATOM 638 CA ALA A 45 1.005 11.674 -3.083 1.00 0.00 C ATOM 639 C ALA A 45 -0.489 11.385 -2.989 1.00 0.00 C ATOM 640 O ALA A 45 -1.193 11.369 -3.998 1.00 0.00 O ATOM 641 CB ALA A 45 1.775 10.394 -3.373 1.00 0.00 C ATOM 0 H ALA A 45 2.077 11.686 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 45 1.162 12.373 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.396 9.941 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.833 10.625 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.648 9.697 -2.544 1.00 0.00 H new ATOM 647 N GLY A 46 -0.967 11.156 -1.769 1.00 0.00 N ATOM 648 CA GLY A 46 -2.375 10.870 -1.566 1.00 0.00 C ATOM 649 C GLY A 46 -2.615 9.453 -1.085 1.00 0.00 C ATOM 650 O GLY A 46 -3.520 8.771 -1.566 1.00 0.00 O ATOM 0 H GLY A 46 -0.404 11.164 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.784 11.571 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.913 11.029 -2.500 1.00 0.00 H new ATOM 654 N VAL A 47 -1.801 9.007 -0.133 1.00 0.00 N ATOM 655 CA VAL A 47 -1.929 7.661 0.413 1.00 0.00 C ATOM 656 C VAL A 47 -2.096 7.697 1.928 1.00 0.00 C ATOM 657 O VAL A 47 -1.402 8.439 2.624 1.00 0.00 O ATOM 658 CB VAL A 47 -0.705 6.795 0.063 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.824 5.419 0.701 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.548 6.680 -1.446 1.00 0.00 C ATOM 0 H VAL A 47 -1.046 9.558 0.276 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.818 7.219 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 47 0.186 7.278 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.050 4.821 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.884 5.524 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.723 4.924 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.322 6.065 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.440 6.220 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.413 7.673 -1.875 1.00 0.00 H new ATOM 670 N LYS A 48 -3.022 6.890 2.435 1.00 0.00 N ATOM 671 CA LYS A 48 -3.281 6.826 3.869 1.00 0.00 C ATOM 672 C LYS A 48 -3.439 5.381 4.329 1.00 0.00 C ATOM 673 O LYS A 48 -3.495 4.463 3.512 1.00 0.00 O ATOM 674 CB LYS A 48 -4.539 7.625 4.217 1.00 0.00 C ATOM 675 CG LYS A 48 -5.822 6.991 3.708 1.00 0.00 C ATOM 676 CD LYS A 48 -7.005 7.334 4.597 1.00 0.00 C ATOM 677 CE LYS A 48 -7.653 8.645 4.181 1.00 0.00 C ATOM 678 NZ LYS A 48 -8.434 9.256 5.293 1.00 0.00 N ATOM 0 H LYS A 48 -3.606 6.271 1.874 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.427 7.262 4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.602 7.734 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.449 8.628 3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.019 7.332 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.701 5.909 3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.742 6.532 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.675 7.403 5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.883 9.343 3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.310 8.471 3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.860 10.148 4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.186 8.601 5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.803 9.446 6.097 1.00 0.00 H new ATOM 692 N GLU A 49 -3.513 5.187 5.642 1.00 0.00 N ATOM 693 CA GLU A 49 -3.666 3.853 6.210 1.00 0.00 C ATOM 694 C GLU A 49 -4.998 3.235 5.795 1.00 0.00 C ATOM 695 O GLU A 49 -5.993 3.937 5.620 1.00 0.00 O ATOM 696 CB GLU A 49 -3.571 3.910 7.736 1.00 0.00 C ATOM 697 CG GLU A 49 -2.277 4.523 8.243 1.00 0.00 C ATOM 698 CD GLU A 49 -2.372 4.975 9.688 1.00 0.00 C ATOM 699 OE1 GLU A 49 -3.275 5.780 9.998 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.544 4.525 10.507 1.00 0.00 O ATOM 0 H GLU A 49 -3.469 5.937 6.332 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.860 3.228 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.412 4.486 8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.666 2.900 8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.472 3.795 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.013 5.375 7.616 1.00 0.00 H new ATOM 707 N GLY A 50 -5.008 1.914 5.639 1.00 0.00 N ATOM 708 CA GLY A 50 -6.222 1.223 5.245 1.00 0.00 C ATOM 709 C GLY A 50 -6.405 1.185 3.740 1.00 0.00 C ATOM 710 O GLY A 50 -7.523 1.037 3.248 1.00 0.00 O ATOM 0 H GLY A 50 -4.197 1.311 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.198 0.204 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.081 1.716 5.700 1.00 0.00 H new ATOM 714 N ASP A 51 -5.305 1.320 3.009 1.00 0.00 N ATOM 715 CA ASP A 51 -5.348 1.301 1.551 1.00 0.00 C ATOM 716 C ASP A 51 -4.902 -0.055 1.012 1.00 0.00 C ATOM 717 O ASP A 51 -3.860 -0.578 1.406 1.00 0.00 O ATOM 718 CB ASP A 51 -4.462 2.408 0.978 1.00 0.00 C ATOM 719 CG ASP A 51 -5.212 3.712 0.794 1.00 0.00 C ATOM 720 OD1 ASP A 51 -6.257 3.705 0.109 1.00 0.00 O ATOM 721 OD2 ASP A 51 -4.755 4.741 1.335 1.00 0.00 O ATOM 0 H ASP A 51 -4.372 1.444 3.402 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.378 1.475 1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.613 2.571 1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.058 2.086 0.018 1.00 0.00 H new ATOM 726 N ARG A 52 -5.699 -0.619 0.110 1.00 0.00 N ATOM 727 CA ARG A 52 -5.388 -1.914 -0.481 1.00 0.00 C ATOM 728 C ARG A 52 -4.944 -1.757 -1.933 1.00 0.00 C ATOM 729 O ARG A 52 -5.712 -1.302 -2.781 1.00 0.00 O ATOM 730 CB ARG A 52 -6.604 -2.839 -0.406 1.00 0.00 C ATOM 731 CG ARG A 52 -6.266 -4.308 -0.599 1.00 0.00 C ATOM 732 CD ARG A 52 -7.440 -5.203 -0.235 1.00 0.00 C ATOM 733 NE ARG A 52 -7.257 -6.569 -0.717 1.00 0.00 N ATOM 734 CZ ARG A 52 -7.290 -6.905 -2.002 1.00 0.00 C ATOM 735 NH1 ARG A 52 -7.496 -5.979 -2.928 1.00 0.00 N ATOM 736 NH2 ARG A 52 -7.115 -8.170 -2.363 1.00 0.00 N ATOM 0 H ARG A 52 -6.565 -0.199 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.569 -2.356 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.088 -2.711 0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.326 -2.538 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.981 -4.484 -1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.405 -4.568 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.565 -5.214 0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.356 -4.789 -0.657 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.095 -7.305 -0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.630 -5.005 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.521 -6.240 -3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.955 -8.885 -1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.141 -8.427 -3.350 1.00 0.00 H new ATOM 750 N ILE A 53 -3.701 -2.136 -2.210 1.00 0.00 N ATOM 751 CA ILE A 53 -3.156 -2.037 -3.558 1.00 0.00 C ATOM 752 C ILE A 53 -3.584 -3.226 -4.412 1.00 0.00 C ATOM 753 O ILE A 53 -3.501 -4.376 -3.979 1.00 0.00 O ATOM 754 CB ILE A 53 -1.618 -1.960 -3.540 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.152 -0.863 -2.580 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.083 -1.708 -4.941 1.00 0.00 C ATOM 757 CD1 ILE A 53 0.235 -1.095 -2.024 1.00 0.00 C ATOM 0 H ILE A 53 -3.053 -2.514 -1.519 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.552 -1.119 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.225 -2.915 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.171 0.095 -3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.859 -0.791 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.005 -1.656 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.390 -2.521 -5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.481 -0.766 -5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.499 -0.278 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.254 -2.037 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.953 -1.137 -2.843 1.00 0.00 H new ATOM 769 N ILE A 54 -4.039 -2.941 -5.628 1.00 0.00 N ATOM 770 CA ILE A 54 -4.476 -3.987 -6.544 1.00 0.00 C ATOM 771 C ILE A 54 -3.428 -4.250 -7.619 1.00 0.00 C ATOM 772 O ILE A 54 -3.065 -5.397 -7.882 1.00 0.00 O ATOM 773 CB ILE A 54 -5.810 -3.620 -7.222 1.00 0.00 C ATOM 774 CG1 ILE A 54 -6.891 -3.369 -6.168 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.239 -4.723 -8.177 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.218 -2.942 -6.755 1.00 0.00 C ATOM 0 H ILE A 54 -4.114 -1.995 -6.001 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.616 -4.889 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.670 -2.704 -7.796 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.036 -4.278 -5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.543 -2.600 -5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.183 -4.449 -8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.476 -4.857 -8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.366 -5.654 -7.624 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.937 -2.782 -5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.087 -2.016 -7.315 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.588 -3.720 -7.423 1.00 0.00 H new ATOM 788 N LYS A 55 -2.941 -3.179 -8.238 1.00 0.00 N ATOM 789 CA LYS A 55 -1.931 -3.293 -9.283 1.00 0.00 C ATOM 790 C LYS A 55 -0.643 -2.587 -8.873 1.00 0.00 C ATOM 791 O LYS A 55 -0.670 -1.599 -8.140 1.00 0.00 O ATOM 792 CB LYS A 55 -2.455 -2.700 -10.593 1.00 0.00 C ATOM 793 CG LYS A 55 -1.777 -3.263 -11.830 1.00 0.00 C ATOM 794 CD LYS A 55 -2.510 -4.483 -12.361 1.00 0.00 C ATOM 795 CE LYS A 55 -2.359 -4.612 -13.869 1.00 0.00 C ATOM 796 NZ LYS A 55 -2.422 -6.032 -14.314 1.00 0.00 N ATOM 0 H LYS A 55 -3.230 -2.222 -8.034 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.714 -4.351 -9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.527 -2.883 -10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.317 -1.619 -10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.736 -2.497 -12.604 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.748 -3.531 -11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.123 -5.380 -11.878 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.567 -4.414 -12.105 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.146 -4.042 -14.363 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.408 -4.177 -14.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.554 -6.067 -15.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.536 -6.515 -14.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.220 -6.507 -13.847 1.00 0.00 H new ATOM 810 N VAL A 56 0.486 -3.101 -9.352 1.00 0.00 N ATOM 811 CA VAL A 56 1.785 -2.518 -9.037 1.00 0.00 C ATOM 812 C VAL A 56 2.716 -2.567 -10.243 1.00 0.00 C ATOM 813 O VAL A 56 3.215 -3.630 -10.612 1.00 0.00 O ATOM 814 CB VAL A 56 2.455 -3.245 -7.855 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.941 -2.927 -7.805 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.776 -2.870 -6.546 1.00 0.00 C ATOM 0 H VAL A 56 0.527 -3.919 -9.959 1.00 0.00 H new ATOM 0 HA VAL A 56 1.607 -1.479 -8.761 1.00 0.00 H new ATOM 0 HB VAL A 56 2.343 -4.319 -8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.397 -3.449 -6.964 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.414 -3.251 -8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.079 -1.853 -7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.262 -3.392 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.855 -1.794 -6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.725 -3.155 -6.587 1.00 0.00 H new ATOM 826 N ASN A 57 2.947 -1.409 -10.853 1.00 0.00 N ATOM 827 CA ASN A 57 3.819 -1.320 -12.019 1.00 0.00 C ATOM 828 C ASN A 57 3.261 -2.138 -13.180 1.00 0.00 C ATOM 829 O ASN A 57 4.007 -2.603 -14.041 1.00 0.00 O ATOM 830 CB ASN A 57 5.226 -1.807 -11.668 1.00 0.00 C ATOM 831 CG ASN A 57 6.046 -0.745 -10.961 1.00 0.00 C ATOM 832 OD1 ASN A 57 6.147 0.390 -11.428 1.00 0.00 O ATOM 833 ND2 ASN A 57 6.636 -1.109 -9.829 1.00 0.00 N ATOM 0 H ASN A 57 2.543 -0.520 -10.560 1.00 0.00 H new ATOM 0 HA ASN A 57 3.869 -0.275 -12.325 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.154 -2.689 -11.032 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.740 -2.112 -12.580 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.200 -0.437 -9.309 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.525 -2.061 -9.479 1.00 0.00 H new ATOM 840 N GLY A 58 1.942 -2.308 -13.197 1.00 0.00 N ATOM 841 CA GLY A 58 1.306 -3.069 -14.256 1.00 0.00 C ATOM 842 C GLY A 58 1.142 -4.534 -13.900 1.00 0.00 C ATOM 843 O GLY A 58 0.469 -5.282 -14.610 1.00 0.00 O ATOM 0 H GLY A 58 1.303 -1.932 -12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.328 -2.639 -14.471 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.899 -2.984 -15.167 1.00 0.00 H new ATOM 847 N THR A 59 1.761 -4.946 -12.798 1.00 0.00 N ATOM 848 CA THR A 59 1.683 -6.331 -12.351 1.00 0.00 C ATOM 849 C THR A 59 0.708 -6.479 -11.188 1.00 0.00 C ATOM 850 O THR A 59 1.027 -6.133 -10.051 1.00 0.00 O ATOM 851 CB THR A 59 3.063 -6.860 -11.919 1.00 0.00 C ATOM 852 OG1 THR A 59 3.992 -6.748 -13.003 1.00 0.00 O ATOM 853 CG2 THR A 59 2.971 -8.312 -11.472 1.00 0.00 C ATOM 0 H THR A 59 2.322 -4.340 -12.199 1.00 0.00 H new ATOM 0 HA THR A 59 1.326 -6.917 -13.198 1.00 0.00 H new ATOM 0 HB THR A 59 3.411 -6.259 -11.079 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.868 -7.085 -12.720 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.958 -8.663 -11.172 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.286 -8.390 -10.628 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.603 -8.924 -12.296 1.00 0.00 H new ATOM 861 N MET A 60 -0.481 -6.996 -11.481 1.00 0.00 N ATOM 862 CA MET A 60 -1.502 -7.192 -10.458 1.00 0.00 C ATOM 863 C MET A 60 -0.946 -7.985 -9.280 1.00 0.00 C ATOM 864 O MET A 60 -0.328 -9.034 -9.461 1.00 0.00 O ATOM 865 CB MET A 60 -2.714 -7.915 -11.048 1.00 0.00 C ATOM 866 CG MET A 60 -2.401 -9.316 -11.549 1.00 0.00 C ATOM 867 SD MET A 60 -3.758 -10.035 -12.494 1.00 0.00 S ATOM 868 CE MET A 60 -5.158 -9.169 -11.789 1.00 0.00 C ATOM 0 H MET A 60 -0.761 -7.287 -12.418 1.00 0.00 H new ATOM 0 HA MET A 60 -1.813 -6.211 -10.098 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.495 -7.975 -10.290 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.114 -7.324 -11.872 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.507 -9.284 -12.172 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.174 -9.959 -10.699 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.082 -9.659 -12.097 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.085 -9.183 -10.702 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.161 -8.137 -12.139 1.00 0.00 H new ATOM 878 N VAL A 61 -1.169 -7.476 -8.072 1.00 0.00 N ATOM 879 CA VAL A 61 -0.690 -8.138 -6.864 1.00 0.00 C ATOM 880 C VAL A 61 -1.853 -8.579 -5.982 1.00 0.00 C ATOM 881 O VAL A 61 -1.713 -8.701 -4.764 1.00 0.00 O ATOM 882 CB VAL A 61 0.237 -7.217 -6.049 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.384 -6.714 -6.913 1.00 0.00 C ATOM 884 CG2 VAL A 61 -0.549 -6.054 -5.462 1.00 0.00 C ATOM 0 H VAL A 61 -1.678 -6.608 -7.904 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.128 -9.015 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 61 0.659 -7.793 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.028 -6.065 -6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.962 -7.562 -7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.984 -6.154 -7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.122 -5.414 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.001 -5.477 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.331 -6.437 -4.807 1.00 0.00 H new ATOM 894 N THR A 62 -3.003 -8.818 -6.604 1.00 0.00 N ATOM 895 CA THR A 62 -4.192 -9.245 -5.876 1.00 0.00 C ATOM 896 C THR A 62 -3.923 -10.520 -5.085 1.00 0.00 C ATOM 897 O THR A 62 -4.000 -10.527 -3.857 1.00 0.00 O ATOM 898 CB THR A 62 -5.377 -9.487 -6.829 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.907 -10.023 -8.071 1.00 0.00 O ATOM 900 CG2 THR A 62 -6.138 -8.194 -7.085 1.00 0.00 C ATOM 0 H THR A 62 -3.137 -8.723 -7.611 1.00 0.00 H new ATOM 0 HA THR A 62 -4.448 -8.440 -5.187 1.00 0.00 H new ATOM 0 HB THR A 62 -6.052 -10.201 -6.358 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.667 -10.175 -8.670 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.971 -8.390 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.520 -7.804 -6.142 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.469 -7.461 -7.536 1.00 0.00 H new ATOM 908 N ASN A 63 -3.607 -11.597 -5.796 1.00 0.00 N ATOM 909 CA ASN A 63 -3.327 -12.879 -5.158 1.00 0.00 C ATOM 910 C ASN A 63 -1.836 -13.029 -4.872 1.00 0.00 C ATOM 911 O ASN A 63 -1.342 -14.137 -4.663 1.00 0.00 O ATOM 912 CB ASN A 63 -3.805 -14.029 -6.046 1.00 0.00 C ATOM 913 CG ASN A 63 -3.212 -13.968 -7.441 1.00 0.00 C ATOM 914 OD1 ASN A 63 -3.393 -12.986 -8.162 1.00 0.00 O ATOM 915 ND2 ASN A 63 -2.500 -15.020 -7.828 1.00 0.00 N ATOM 0 H ASN A 63 -3.538 -11.608 -6.814 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.866 -12.911 -4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.538 -14.978 -5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.893 -14.003 -6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.077 -15.036 -8.756 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.376 -15.812 -7.197 1.00 0.00 H new ATOM 922 N SER A 64 -1.124 -11.906 -4.862 1.00 0.00 N ATOM 923 CA SER A 64 0.311 -11.912 -4.604 1.00 0.00 C ATOM 924 C SER A 64 0.598 -11.653 -3.129 1.00 0.00 C ATOM 925 O SER A 64 -0.273 -11.202 -2.385 1.00 0.00 O ATOM 926 CB SER A 64 1.010 -10.858 -5.465 1.00 0.00 C ATOM 927 OG SER A 64 2.400 -11.117 -5.560 1.00 0.00 O ATOM 0 H SER A 64 -1.518 -10.980 -5.030 1.00 0.00 H new ATOM 0 HA SER A 64 0.698 -12.897 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.570 -10.848 -6.462 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.850 -9.869 -5.036 1.00 0.00 H new ATOM 0 HG SER A 64 2.823 -10.431 -6.117 1.00 0.00 H new ATOM 933 N SER A 65 1.827 -11.941 -2.712 1.00 0.00 N ATOM 934 CA SER A 65 2.230 -11.744 -1.325 1.00 0.00 C ATOM 935 C SER A 65 3.017 -10.446 -1.167 1.00 0.00 C ATOM 936 O SER A 65 3.357 -9.789 -2.152 1.00 0.00 O ATOM 937 CB SER A 65 3.073 -12.926 -0.843 1.00 0.00 C ATOM 938 OG SER A 65 2.271 -14.077 -0.644 1.00 0.00 O ATOM 0 H SER A 65 2.561 -12.312 -3.316 1.00 0.00 H new ATOM 0 HA SER A 65 1.328 -11.679 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.852 -13.143 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.575 -12.663 0.088 1.00 0.00 H new ATOM 0 HG SER A 65 1.375 -13.805 -0.354 1.00 0.00 H new ATOM 944 N HIS A 66 3.303 -10.082 0.079 1.00 0.00 N ATOM 945 CA HIS A 66 4.050 -8.863 0.367 1.00 0.00 C ATOM 946 C HIS A 66 5.389 -8.861 -0.363 1.00 0.00 C ATOM 947 O HIS A 66 5.658 -7.986 -1.187 1.00 0.00 O ATOM 948 CB HIS A 66 4.276 -8.722 1.872 1.00 0.00 C ATOM 949 CG HIS A 66 5.214 -7.612 2.236 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.464 -6.537 1.410 1.00 0.00 N ATOM 951 CD2 HIS A 66 5.963 -7.414 3.346 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.328 -5.727 1.994 1.00 0.00 C ATOM 953 NE2 HIS A 66 6.646 -6.236 3.171 1.00 0.00 N ATOM 0 H HIS A 66 3.029 -10.614 0.905 1.00 0.00 H new ATOM 0 HA HIS A 66 3.463 -8.015 0.014 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.317 -8.551 2.361 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.669 -9.661 2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.014 -8.062 4.209 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.710 -4.805 1.580 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.294 -5.821 3.841 1.00 0.00 H new ATOM 962 N LEU A 67 6.226 -9.846 -0.055 1.00 0.00 N ATOM 963 CA LEU A 67 7.539 -9.958 -0.682 1.00 0.00 C ATOM 964 C LEU A 67 7.458 -9.656 -2.175 1.00 0.00 C ATOM 965 O LEU A 67 8.119 -8.744 -2.670 1.00 0.00 O ATOM 966 CB LEU A 67 8.112 -11.359 -0.464 1.00 0.00 C ATOM 967 CG LEU A 67 8.416 -11.742 0.985 1.00 0.00 C ATOM 968 CD1 LEU A 67 8.537 -13.252 1.124 1.00 0.00 C ATOM 969 CD2 LEU A 67 9.689 -11.057 1.462 1.00 0.00 C ATOM 0 H LEU A 67 6.019 -10.578 0.624 1.00 0.00 H new ATOM 0 HA LEU A 67 8.199 -9.225 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.408 -12.085 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.031 -11.448 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 67 7.589 -11.405 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.753 -13.506 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.600 -13.721 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.344 -13.613 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.890 -11.341 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.525 -11.363 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.565 -9.976 1.400 1.00 0.00 H new ATOM 981 N GLU A 68 6.640 -10.427 -2.886 1.00 0.00 N ATOM 982 CA GLU A 68 6.472 -10.240 -4.322 1.00 0.00 C ATOM 983 C GLU A 68 6.251 -8.768 -4.657 1.00 0.00 C ATOM 984 O GLU A 68 6.984 -8.186 -5.457 1.00 0.00 O ATOM 985 CB GLU A 68 5.293 -11.073 -4.832 1.00 0.00 C ATOM 986 CG GLU A 68 5.482 -12.570 -4.651 1.00 0.00 C ATOM 987 CD GLU A 68 6.617 -13.121 -5.492 1.00 0.00 C ATOM 988 OE1 GLU A 68 6.733 -12.717 -6.668 1.00 0.00 O ATOM 989 OE2 GLU A 68 7.388 -13.955 -4.975 1.00 0.00 O ATOM 0 H GLU A 68 6.084 -11.186 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 68 7.385 -10.574 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.388 -10.764 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.139 -10.860 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.677 -12.783 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.557 -13.084 -4.914 1.00 0.00 H new ATOM 996 N VAL A 69 5.236 -8.172 -4.039 1.00 0.00 N ATOM 997 CA VAL A 69 4.919 -6.768 -4.271 1.00 0.00 C ATOM 998 C VAL A 69 6.144 -5.885 -4.058 1.00 0.00 C ATOM 999 O VAL A 69 6.392 -4.954 -4.824 1.00 0.00 O ATOM 1000 CB VAL A 69 3.786 -6.288 -3.344 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.647 -4.775 -3.410 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.476 -6.969 -3.708 1.00 0.00 C ATOM 0 H VAL A 69 4.620 -8.639 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 69 4.591 -6.685 -5.307 1.00 0.00 H new ATOM 0 HB VAL A 69 4.038 -6.561 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.842 -4.454 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.581 -4.310 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.418 -4.475 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.687 -6.618 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.215 -6.729 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.586 -8.048 -3.603 1.00 0.00 H new ATOM 1012 N VAL A 70 6.907 -6.185 -3.012 1.00 0.00 N ATOM 1013 CA VAL A 70 8.108 -5.420 -2.698 1.00 0.00 C ATOM 1014 C VAL A 70 9.072 -5.400 -3.879 1.00 0.00 C ATOM 1015 O VAL A 70 9.387 -4.340 -4.421 1.00 0.00 O ATOM 1016 CB VAL A 70 8.834 -5.994 -1.467 1.00 0.00 C ATOM 1017 CG1 VAL A 70 9.992 -5.095 -1.062 1.00 0.00 C ATOM 1018 CG2 VAL A 70 7.861 -6.176 -0.312 1.00 0.00 C ATOM 0 H VAL A 70 6.715 -6.952 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 70 7.786 -4.402 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 70 9.239 -6.971 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.493 -5.517 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.701 -5.020 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.614 -4.102 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.391 -6.582 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.425 -5.212 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.069 -6.864 -0.608 1.00 0.00 H new ATOM 1028 N LYS A 71 9.537 -6.580 -4.276 1.00 0.00 N ATOM 1029 CA LYS A 71 10.464 -6.701 -5.395 1.00 0.00 C ATOM 1030 C LYS A 71 10.074 -5.759 -6.529 1.00 0.00 C ATOM 1031 O LYS A 71 10.935 -5.170 -7.184 1.00 0.00 O ATOM 1032 CB LYS A 71 10.495 -8.144 -5.904 1.00 0.00 C ATOM 1033 CG LYS A 71 11.533 -9.011 -5.213 1.00 0.00 C ATOM 1034 CD LYS A 71 11.527 -10.429 -5.757 1.00 0.00 C ATOM 1035 CE LYS A 71 12.266 -11.384 -4.832 1.00 0.00 C ATOM 1036 NZ LYS A 71 13.730 -11.114 -4.811 1.00 0.00 N ATOM 0 H LYS A 71 9.287 -7.467 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 71 11.458 -6.425 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.510 -8.591 -5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.694 -8.138 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.522 -8.573 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.336 -9.031 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.498 -10.767 -5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.991 -10.444 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.866 -11.294 -3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.091 -12.410 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.198 -11.786 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.117 -11.224 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.899 -10.143 -4.479 1.00 0.00 H new ATOM 1050 N LEU A 72 8.772 -5.619 -6.754 1.00 0.00 N ATOM 1051 CA LEU A 72 8.268 -4.746 -7.809 1.00 0.00 C ATOM 1052 C LEU A 72 8.455 -3.279 -7.437 1.00 0.00 C ATOM 1053 O LEU A 72 8.725 -2.440 -8.297 1.00 0.00 O ATOM 1054 CB LEU A 72 6.788 -5.033 -8.071 1.00 0.00 C ATOM 1055 CG LEU A 72 6.420 -6.498 -8.305 1.00 0.00 C ATOM 1056 CD1 LEU A 72 4.915 -6.692 -8.208 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.934 -6.968 -9.658 1.00 0.00 C ATOM 0 H LEU A 72 8.047 -6.098 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 72 8.837 -4.947 -8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.211 -4.665 -7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.475 -4.457 -8.942 1.00 0.00 H new ATOM 0 HG LEU A 72 6.894 -7.100 -7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.672 -7.741 -8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.573 -6.396 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.420 -6.079 -8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.663 -8.013 -9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.489 -6.361 -10.447 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.019 -6.867 -9.690 1.00 0.00 H new ATOM 1069 N ILE A 73 8.311 -2.977 -6.151 1.00 0.00 N ATOM 1070 CA ILE A 73 8.468 -1.611 -5.665 1.00 0.00 C ATOM 1071 C ILE A 73 9.900 -1.123 -5.851 1.00 0.00 C ATOM 1072 O ILE A 73 10.143 -0.114 -6.514 1.00 0.00 O ATOM 1073 CB ILE A 73 8.086 -1.496 -4.178 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.567 -1.566 -4.011 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.629 -0.201 -3.591 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.118 -1.594 -2.567 1.00 0.00 C ATOM 0 H ILE A 73 8.086 -3.659 -5.427 1.00 0.00 H new ATOM 0 HA ILE A 73 7.795 -0.987 -6.253 1.00 0.00 H new ATOM 0 HB ILE A 73 8.530 -2.332 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.115 -0.707 -4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.195 -2.457 -4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.351 -0.134 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.715 -0.188 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.210 0.647 -4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.030 -1.644 -2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.540 -2.468 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.460 -0.690 -2.062 1.00 0.00 H new ATOM 1088 N LYS A 74 10.847 -1.846 -5.262 1.00 0.00 N ATOM 1089 CA LYS A 74 12.257 -1.489 -5.364 1.00 0.00 C ATOM 1090 C LYS A 74 12.614 -1.083 -6.790 1.00 0.00 C ATOM 1091 O LYS A 74 13.036 0.046 -7.037 1.00 0.00 O ATOM 1092 CB LYS A 74 13.134 -2.663 -4.922 1.00 0.00 C ATOM 1093 CG LYS A 74 12.872 -3.115 -3.496 1.00 0.00 C ATOM 1094 CD LYS A 74 13.233 -4.577 -3.299 1.00 0.00 C ATOM 1095 CE LYS A 74 14.740 -4.782 -3.276 1.00 0.00 C ATOM 1096 NZ LYS A 74 15.340 -4.636 -4.631 1.00 0.00 N ATOM 0 H LYS A 74 10.663 -2.683 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 74 12.439 -0.639 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.969 -3.503 -5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.182 -2.379 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.451 -2.500 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.820 -2.963 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.802 -4.936 -2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.796 -5.172 -4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.194 -4.060 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.966 -5.774 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.134 -5.300 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.621 -4.843 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.685 -3.663 -4.755 1.00 0.00 H new ATOM 1110 N SER A 75 12.440 -2.011 -7.726 1.00 0.00 N ATOM 1111 CA SER A 75 12.746 -1.750 -9.128 1.00 0.00 C ATOM 1112 C SER A 75 12.091 -0.454 -9.595 1.00 0.00 C ATOM 1113 O SER A 75 10.942 -0.450 -10.035 1.00 0.00 O ATOM 1114 CB SER A 75 12.276 -2.916 -10.000 1.00 0.00 C ATOM 1115 OG SER A 75 12.705 -2.755 -11.341 1.00 0.00 O ATOM 0 H SER A 75 12.089 -2.950 -7.539 1.00 0.00 H new ATOM 0 HA SER A 75 13.827 -1.646 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.665 -3.853 -9.601 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.189 -2.983 -9.968 1.00 0.00 H new ATOM 0 HG SER A 75 12.393 -3.514 -11.877 1.00 0.00 H new ATOM 1121 N GLY A 76 12.832 0.646 -9.495 1.00 0.00 N ATOM 1122 CA GLY A 76 12.307 1.934 -9.910 1.00 0.00 C ATOM 1123 C GLY A 76 12.148 2.896 -8.750 1.00 0.00 C ATOM 1124 O GLY A 76 11.413 2.620 -7.802 1.00 0.00 O ATOM 0 H GLY A 76 13.786 0.668 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.974 2.372 -10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.341 1.790 -10.394 1.00 0.00 H new ATOM 1128 N ALA A 77 12.839 4.028 -8.823 1.00 0.00 N ATOM 1129 CA ALA A 77 12.771 5.035 -7.771 1.00 0.00 C ATOM 1130 C ALA A 77 11.346 5.189 -7.251 1.00 0.00 C ATOM 1131 O ALA A 77 11.127 5.343 -6.049 1.00 0.00 O ATOM 1132 CB ALA A 77 13.295 6.369 -8.282 1.00 0.00 C ATOM 0 H ALA A 77 13.453 4.271 -9.600 1.00 0.00 H new ATOM 0 HA ALA A 77 13.399 4.704 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.238 7.111 -7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.332 6.255 -8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.691 6.697 -9.128 1.00 0.00 H new ATOM 1138 N TYR A 78 10.380 5.147 -8.162 1.00 0.00 N ATOM 1139 CA TYR A 78 8.976 5.285 -7.795 1.00 0.00 C ATOM 1140 C TYR A 78 8.196 4.021 -8.141 1.00 0.00 C ATOM 1141 O TYR A 78 8.700 3.135 -8.832 1.00 0.00 O ATOM 1142 CB TYR A 78 8.358 6.490 -8.505 1.00 0.00 C ATOM 1143 CG TYR A 78 8.728 6.587 -9.968 1.00 0.00 C ATOM 1144 CD1 TYR A 78 8.184 5.714 -10.902 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.623 7.551 -10.416 1.00 0.00 C ATOM 1146 CE1 TYR A 78 8.520 5.798 -12.239 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.964 7.643 -11.751 1.00 0.00 C ATOM 1148 CZ TYR A 78 9.410 6.765 -12.659 1.00 0.00 C ATOM 1149 OH TYR A 78 9.748 6.852 -13.990 1.00 0.00 O ATOM 0 H TYR A 78 10.544 5.018 -9.160 1.00 0.00 H new ATOM 0 HA TYR A 78 8.922 5.440 -6.717 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.273 6.436 -8.416 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.674 7.401 -7.998 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.486 4.957 -10.577 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.059 8.240 -9.708 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.089 5.111 -12.952 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.661 8.399 -12.082 1.00 0.00 H new ATOM 0 HH TYR A 78 10.384 7.586 -14.119 1.00 0.00 H new ATOM 1159 N VAL A 79 6.960 3.944 -7.656 1.00 0.00 N ATOM 1160 CA VAL A 79 6.107 2.790 -7.915 1.00 0.00 C ATOM 1161 C VAL A 79 4.653 3.211 -8.097 1.00 0.00 C ATOM 1162 O VAL A 79 4.074 3.867 -7.232 1.00 0.00 O ATOM 1163 CB VAL A 79 6.194 1.761 -6.772 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.860 2.414 -5.439 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.269 0.585 -7.045 1.00 0.00 C ATOM 0 H VAL A 79 6.527 4.667 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 79 6.466 2.330 -8.836 1.00 0.00 H new ATOM 0 HB VAL A 79 7.216 1.386 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.927 1.672 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.566 3.221 -5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.848 2.817 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.342 -0.133 -6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.242 0.941 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.559 0.103 -7.979 1.00 0.00 H new ATOM 1175 N ALA A 80 4.069 2.829 -9.228 1.00 0.00 N ATOM 1176 CA ALA A 80 2.682 3.165 -9.522 1.00 0.00 C ATOM 1177 C ALA A 80 1.726 2.175 -8.865 1.00 0.00 C ATOM 1178 O ALA A 80 1.563 1.048 -9.335 1.00 0.00 O ATOM 1179 CB ALA A 80 2.455 3.200 -11.026 1.00 0.00 C ATOM 0 H ALA A 80 4.535 2.287 -9.955 1.00 0.00 H new ATOM 0 HA ALA A 80 2.479 4.154 -9.111 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.415 3.452 -11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.106 3.951 -11.475 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.682 2.222 -11.451 1.00 0.00 H new ATOM 1185 N LEU A 81 1.098 2.601 -7.775 1.00 0.00 N ATOM 1186 CA LEU A 81 0.158 1.751 -7.051 1.00 0.00 C ATOM 1187 C LEU A 81 -1.282 2.104 -7.410 1.00 0.00 C ATOM 1188 O LEU A 81 -1.583 3.243 -7.770 1.00 0.00 O ATOM 1189 CB LEU A 81 0.370 1.892 -5.543 1.00 0.00 C ATOM 1190 CG LEU A 81 1.823 1.964 -5.073 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.924 2.737 -3.767 1.00 0.00 C ATOM 1192 CD2 LEU A 81 2.401 0.565 -4.913 1.00 0.00 C ATOM 0 H LEU A 81 1.222 3.530 -7.373 1.00 0.00 H new ATOM 0 HA LEU A 81 0.342 0.717 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.145 2.792 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.109 1.047 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 81 2.404 2.492 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.965 2.778 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.550 3.750 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.329 2.238 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.436 0.635 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.818 0.012 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.364 0.044 -5.870 1.00 0.00 H new ATOM 1204 N THR A 82 -2.170 1.120 -7.307 1.00 0.00 N ATOM 1205 CA THR A 82 -3.578 1.326 -7.619 1.00 0.00 C ATOM 1206 C THR A 82 -4.453 1.091 -6.393 1.00 0.00 C ATOM 1207 O THR A 82 -4.677 -0.050 -5.986 1.00 0.00 O ATOM 1208 CB THR A 82 -4.045 0.395 -8.754 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.048 0.337 -9.780 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.360 0.879 -9.345 1.00 0.00 C ATOM 0 H THR A 82 -1.938 0.172 -7.010 1.00 0.00 H new ATOM 0 HA THR A 82 -3.681 2.362 -7.943 1.00 0.00 H new ATOM 0 HB THR A 82 -4.197 -0.601 -8.338 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.479 0.178 -10.646 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.669 0.206 -10.144 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.124 0.895 -8.568 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.230 1.884 -9.747 1.00 0.00 H new ATOM 1218 N LEU A 83 -4.947 2.176 -5.807 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.799 2.088 -4.626 1.00 0.00 C ATOM 1220 C LEU A 83 -7.272 2.173 -5.010 1.00 0.00 C ATOM 1221 O LEU A 83 -7.628 2.786 -6.018 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.452 3.204 -3.638 1.00 0.00 C ATOM 1223 CG LEU A 83 -3.962 3.479 -3.433 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.761 4.772 -2.658 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.299 2.315 -2.713 1.00 0.00 C ATOM 0 H LEU A 83 -4.772 3.127 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.622 1.123 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.927 4.124 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.892 2.956 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.494 3.589 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.695 4.952 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.201 5.601 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.243 4.691 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.239 2.528 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.770 2.173 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.413 1.408 -3.306 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.126 1.557 -4.200 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.563 1.565 -4.454 1.00 0.00 C ATOM 1239 C LEU A 84 -10.316 2.215 -3.298 1.00 0.00 C ATOM 1240 O LEU A 84 -10.110 1.868 -2.136 1.00 0.00 O ATOM 1241 CB LEU A 84 -10.070 0.138 -4.670 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.410 0.005 -5.395 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.533 -1.366 -6.041 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.563 0.248 -4.432 1.00 0.00 C ATOM 0 H LEU A 84 -7.849 1.046 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.745 2.149 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.318 -0.412 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.156 -0.347 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.453 0.759 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.493 -1.443 -6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.726 -1.503 -6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.468 -2.137 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.509 0.149 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.523 -0.483 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.484 1.252 -4.016 1.00 0.00 H new ATOM 1256 N GLY A 85 -11.193 3.160 -3.626 1.00 0.00 N ATOM 1257 CA GLY A 85 -11.966 3.842 -2.605 1.00 0.00 C ATOM 1258 C GLY A 85 -13.303 3.175 -2.347 1.00 0.00 C ATOM 1259 O GLY A 85 -14.318 3.560 -2.928 1.00 0.00 O ATOM 0 H GLY A 85 -11.381 3.465 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.393 3.870 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.132 4.876 -2.909 1.00 0.00 H new ATOM 1263 N SER A 86 -13.304 2.172 -1.476 1.00 0.00 N ATOM 1264 CA SER A 86 -14.525 1.446 -1.147 1.00 0.00 C ATOM 1265 C SER A 86 -15.223 2.075 0.055 1.00 0.00 C ATOM 1266 O SER A 86 -14.890 1.783 1.203 1.00 0.00 O ATOM 1267 CB SER A 86 -14.209 -0.022 -0.857 1.00 0.00 C ATOM 1268 OG SER A 86 -15.390 -0.805 -0.844 1.00 0.00 O ATOM 0 H SER A 86 -12.473 1.843 -0.985 1.00 0.00 H new ATOM 0 HA SER A 86 -15.195 1.503 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 86 -13.523 -0.406 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.703 -0.105 0.105 1.00 0.00 H new ATOM 0 HG SER A 86 -15.161 -1.740 -0.658 1.00 0.00 H new ATOM 1274 N SER A 87 -16.195 2.940 -0.218 1.00 0.00 N ATOM 1275 CA SER A 87 -16.938 3.614 0.840 1.00 0.00 C ATOM 1276 C SER A 87 -18.094 2.746 1.329 1.00 0.00 C ATOM 1277 O SER A 87 -18.726 2.037 0.546 1.00 0.00 O ATOM 1278 CB SER A 87 -17.470 4.959 0.342 1.00 0.00 C ATOM 1279 OG SER A 87 -18.085 5.685 1.392 1.00 0.00 O ATOM 0 H SER A 87 -16.486 3.190 -1.163 1.00 0.00 H new ATOM 0 HA SER A 87 -16.258 3.787 1.674 1.00 0.00 H new ATOM 0 HB2 SER A 87 -16.652 5.544 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 87 -18.189 4.795 -0.460 1.00 0.00 H new ATOM 0 HG SER A 87 -18.415 6.541 1.048 1.00 0.00 H new ATOM 1285 N SER A 88 -18.365 2.809 2.628 1.00 0.00 N ATOM 1286 CA SER A 88 -19.442 2.027 3.224 1.00 0.00 C ATOM 1287 C SER A 88 -19.759 2.522 4.632 1.00 0.00 C ATOM 1288 O SER A 88 -19.032 3.342 5.192 1.00 0.00 O ATOM 1289 CB SER A 88 -19.063 0.546 3.265 1.00 0.00 C ATOM 1290 OG SER A 88 -20.217 -0.276 3.287 1.00 0.00 O ATOM 0 H SER A 88 -17.853 3.394 3.289 1.00 0.00 H new ATOM 0 HA SER A 88 -20.331 2.150 2.606 1.00 0.00 H new ATOM 0 HB2 SER A 88 -18.454 0.299 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 88 -18.455 0.348 4.147 1.00 0.00 H new ATOM 0 HG SER A 88 -19.947 -1.218 3.311 1.00 0.00 H new ATOM 1296 N GLY A 89 -20.850 2.016 5.199 1.00 0.00 N ATOM 1297 CA GLY A 89 -21.245 2.417 6.536 1.00 0.00 C ATOM 1298 C GLY A 89 -20.103 2.328 7.529 1.00 0.00 C ATOM 1299 O GLY A 89 -19.227 1.469 7.424 1.00 0.00 O ATOM 0 H GLY A 89 -21.467 1.335 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -21.620 3.440 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -22.066 1.785 6.874 1.00 0.00 H new ATOM 1303 N PRO A 90 -20.103 3.232 8.520 1.00 0.00 N ATOM 1304 CA PRO A 90 -19.065 3.273 9.554 1.00 0.00 C ATOM 1305 C PRO A 90 -19.149 2.085 10.507 1.00 0.00 C ATOM 1306 O PRO A 90 -19.998 2.049 11.397 1.00 0.00 O ATOM 1307 CB PRO A 90 -19.358 4.577 10.300 1.00 0.00 C ATOM 1308 CG PRO A 90 -20.810 4.823 10.077 1.00 0.00 C ATOM 1309 CD PRO A 90 -21.116 4.284 8.707 1.00 0.00 C ATOM 0 HA PRO A 90 -18.063 3.226 9.127 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -19.131 4.485 11.362 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -18.754 5.398 9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -21.412 4.323 10.836 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -21.039 5.887 10.138 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -22.128 3.882 8.650 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -21.037 5.058 7.944 1.00 0.00 H new ATOM 1317 N SER A 91 -18.262 1.114 10.314 1.00 0.00 N ATOM 1318 CA SER A 91 -18.238 -0.078 11.154 1.00 0.00 C ATOM 1319 C SER A 91 -17.804 0.268 12.575 1.00 0.00 C ATOM 1320 O SER A 91 -18.555 0.070 13.531 1.00 0.00 O ATOM 1321 CB SER A 91 -17.294 -1.126 10.562 1.00 0.00 C ATOM 1322 OG SER A 91 -17.650 -2.431 10.987 1.00 0.00 O ATOM 0 H SER A 91 -17.550 1.129 9.583 1.00 0.00 H new ATOM 0 HA SER A 91 -19.248 -0.487 11.190 1.00 0.00 H new ATOM 0 HB2 SER A 91 -17.324 -1.074 9.474 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.269 -0.909 10.863 1.00 0.00 H new ATOM 0 HG SER A 91 -17.033 -3.083 10.594 1.00 0.00 H new ATOM 1328 N SER A 92 -16.588 0.787 12.706 1.00 0.00 N ATOM 1329 CA SER A 92 -16.051 1.158 14.011 1.00 0.00 C ATOM 1330 C SER A 92 -15.886 2.671 14.120 1.00 0.00 C ATOM 1331 O SER A 92 -14.974 3.251 13.534 1.00 0.00 O ATOM 1332 CB SER A 92 -14.706 0.468 14.247 1.00 0.00 C ATOM 1333 OG SER A 92 -13.770 0.818 13.243 1.00 0.00 O ATOM 0 H SER A 92 -15.955 0.960 11.925 1.00 0.00 H new ATOM 0 HA SER A 92 -16.758 0.831 14.774 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.316 0.749 15.225 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.845 -0.613 14.258 1.00 0.00 H new ATOM 0 HG SER A 92 -13.844 1.775 13.046 1.00 0.00 H new ATOM 1339 N GLY A 93 -16.778 3.304 14.877 1.00 0.00 N ATOM 1340 CA GLY A 93 -16.714 4.743 15.051 1.00 0.00 C ATOM 1341 C GLY A 93 -17.999 5.316 15.616 1.00 0.00 C ATOM 1342 O GLY A 93 -18.979 5.491 14.893 1.00 0.00 O ATOM 0 H GLY A 93 -17.543 2.846 15.372 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.887 4.989 15.716 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.501 5.213 14.091 1.00 0.00 H new TER 1346 GLY A 93