USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=31 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 88 THR OG1 : rot 104:sc= 1.18 USER MOD Set 1.2: A 89 HIS : no HD1:sc= 1.06 K(o=2.2,f=-4.7!) USER MOD Set 2.1: A 79 HIS : no HD1:sc= -2.78! C(o=-1.5!,f=-8.3!) USER MOD Set 2.2: A 87 THR OG1 : rot -45:sc= 1.3 USER MOD Set 3.1: A 55 TYR OH : rot -147:sc= 0.002 USER MOD Set 3.2: A 57 ASN : amide:sc= 0.00372 X(o=0.0057,f=0) 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 180:sc= -0.0226 USER MOD Single : A 44 THR OG1 : rot 28:sc= 0.845 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 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 83:sc= 0.415 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 140:sc= -1.34 (180deg=-4.56!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.12) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 78 TYR OH : rot 30:sc= -0.188 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -30:sc= -0.206 USER MOD Single : A 83 SER OG : rot 180: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 107:sc= -0.499 USER MOD Single : A 94 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.8) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0863) USER MOD Single : A 107 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0855) USER MOD Single : A 117 SER OG : rot 96:sc= 1.17 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 30:sc= 0 USER MOD Single : A 130 GLN :FLIP amide:sc= -1.38! F(o=-2.9,f=-1.4!) USER MOD Single : A 132 TYR OH : rot -83:sc= 0.567 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 -12.770 20.062 -13.478 1.00 0.00 N ATOM 2 CA GLY A 37 -12.570 20.972 -12.365 1.00 0.00 C ATOM 3 C GLY A 37 -11.128 21.011 -11.899 1.00 0.00 C ATOM 4 O GLY A 37 -10.263 21.558 -12.583 1.00 0.00 O ATOM 0 HA2 GLY A 37 -12.881 21.975 -12.659 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.209 20.671 -11.535 1.00 0.00 H new ATOM 8 N SER A 38 -10.869 20.432 -10.731 1.00 0.00 N ATOM 9 CA SER A 38 -9.523 20.407 -10.172 1.00 0.00 C ATOM 10 C SER A 38 -8.861 21.777 -10.290 1.00 0.00 C ATOM 11 O SER A 38 -7.683 21.882 -10.629 1.00 0.00 O ATOM 12 CB SER A 38 -8.672 19.354 -10.883 1.00 0.00 C ATOM 13 OG SER A 38 -7.615 18.906 -10.052 1.00 0.00 O ATOM 0 H SER A 38 -11.574 19.974 -10.153 1.00 0.00 H new ATOM 0 HA SER A 38 -9.599 20.149 -9.116 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.298 18.508 -11.168 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.263 19.773 -11.803 1.00 0.00 H new ATOM 0 HG SER A 38 -7.087 18.232 -10.529 1.00 0.00 H new ATOM 19 N SER A 39 -9.629 22.825 -10.006 1.00 0.00 N ATOM 20 CA SER A 39 -9.119 24.189 -10.083 1.00 0.00 C ATOM 21 C SER A 39 -9.517 24.988 -8.847 1.00 0.00 C ATOM 22 O SER A 39 -10.512 24.684 -8.190 1.00 0.00 O ATOM 23 CB SER A 39 -9.644 24.881 -11.343 1.00 0.00 C ATOM 24 OG SER A 39 -9.031 26.146 -11.522 1.00 0.00 O ATOM 0 H SER A 39 -10.606 22.755 -9.721 1.00 0.00 H new ATOM 0 HA SER A 39 -8.031 24.142 -10.129 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.452 24.254 -12.213 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.725 25.004 -11.271 1.00 0.00 H new ATOM 0 HG SER A 39 -9.382 26.567 -12.334 1.00 0.00 H new ATOM 30 N GLY A 40 -8.731 26.014 -8.535 1.00 0.00 N ATOM 31 CA GLY A 40 -9.017 26.843 -7.378 1.00 0.00 C ATOM 32 C GLY A 40 -7.780 27.130 -6.550 1.00 0.00 C ATOM 33 O GLY A 40 -7.320 28.270 -6.483 1.00 0.00 O ATOM 0 H GLY A 40 -7.901 26.286 -9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.455 27.785 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.761 26.347 -6.754 1.00 0.00 H new ATOM 37 N SER A 41 -7.240 26.093 -5.917 1.00 0.00 N ATOM 38 CA SER A 41 -6.052 26.240 -5.085 1.00 0.00 C ATOM 39 C SER A 41 -5.065 25.106 -5.342 1.00 0.00 C ATOM 40 O SER A 41 -5.452 23.942 -5.440 1.00 0.00 O ATOM 41 CB SER A 41 -6.440 26.268 -3.605 1.00 0.00 C ATOM 42 OG SER A 41 -5.436 26.896 -2.826 1.00 0.00 O ATOM 0 H SER A 41 -7.607 25.142 -5.965 1.00 0.00 H new ATOM 0 HA SER A 41 -5.571 27.183 -5.345 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.384 26.799 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.598 25.250 -3.248 1.00 0.00 H new ATOM 0 HG SER A 41 -5.709 26.903 -1.885 1.00 0.00 H new ATOM 48 N SER A 42 -3.787 25.455 -5.451 1.00 0.00 N ATOM 49 CA SER A 42 -2.743 24.468 -5.701 1.00 0.00 C ATOM 50 C SER A 42 -1.791 24.371 -4.512 1.00 0.00 C ATOM 51 O SER A 42 -1.741 25.265 -3.668 1.00 0.00 O ATOM 52 CB SER A 42 -1.962 24.830 -6.965 1.00 0.00 C ATOM 53 OG SER A 42 -1.053 23.800 -7.315 1.00 0.00 O ATOM 0 H SER A 42 -3.450 26.414 -5.370 1.00 0.00 H new ATOM 0 HA SER A 42 -3.220 23.498 -5.842 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.656 25.003 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.418 25.761 -6.806 1.00 0.00 H new ATOM 0 HG SER A 42 -0.567 24.055 -8.127 1.00 0.00 H new ATOM 59 N GLY A 43 -1.038 23.277 -4.453 1.00 0.00 N ATOM 60 CA GLY A 43 -0.098 23.082 -3.365 1.00 0.00 C ATOM 61 C GLY A 43 0.815 21.893 -3.593 1.00 0.00 C ATOM 62 O GLY A 43 0.773 21.262 -4.650 1.00 0.00 O ATOM 0 H GLY A 43 -1.062 22.523 -5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.505 23.982 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.648 22.941 -2.435 1.00 0.00 H new ATOM 66 N THR A 44 1.644 21.586 -2.600 1.00 0.00 N ATOM 67 CA THR A 44 2.573 20.467 -2.699 1.00 0.00 C ATOM 68 C THR A 44 2.501 19.582 -1.459 1.00 0.00 C ATOM 69 O THR A 44 2.970 19.961 -0.386 1.00 0.00 O ATOM 70 CB THR A 44 4.022 20.955 -2.884 1.00 0.00 C ATOM 71 OG1 THR A 44 4.426 21.734 -1.752 1.00 0.00 O ATOM 72 CG2 THR A 44 4.156 21.785 -4.151 1.00 0.00 C ATOM 0 H THR A 44 1.691 22.097 -1.718 1.00 0.00 H new ATOM 0 HA THR A 44 2.278 19.887 -3.574 1.00 0.00 H new ATOM 0 HB THR A 44 4.667 20.081 -2.971 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.928 21.442 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.188 22.118 -4.260 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.877 21.180 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.499 22.653 -4.089 1.00 0.00 H new ATOM 80 N SER A 45 1.911 18.401 -1.614 1.00 0.00 N ATOM 81 CA SER A 45 1.775 17.463 -0.506 1.00 0.00 C ATOM 82 C SER A 45 2.718 16.276 -0.680 1.00 0.00 C ATOM 83 O SER A 45 3.016 15.866 -1.802 1.00 0.00 O ATOM 84 CB SER A 45 0.331 16.971 -0.401 1.00 0.00 C ATOM 85 OG SER A 45 0.053 15.992 -1.387 1.00 0.00 O ATOM 0 H SER A 45 1.520 18.071 -2.496 1.00 0.00 H new ATOM 0 HA SER A 45 2.041 17.984 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.157 16.553 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.352 17.812 -0.516 1.00 0.00 H new ATOM 0 HG SER A 45 -0.876 15.692 -1.298 1.00 0.00 H new ATOM 91 N SER A 46 3.183 15.729 0.438 1.00 0.00 N ATOM 92 CA SER A 46 4.095 14.592 0.411 1.00 0.00 C ATOM 93 C SER A 46 3.743 13.640 -0.729 1.00 0.00 C ATOM 94 O SER A 46 2.569 13.396 -1.010 1.00 0.00 O ATOM 95 CB SER A 46 4.053 13.845 1.745 1.00 0.00 C ATOM 96 OG SER A 46 4.623 14.624 2.783 1.00 0.00 O ATOM 0 H SER A 46 2.943 16.055 1.374 1.00 0.00 H new ATOM 0 HA SER A 46 5.104 14.971 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.021 13.599 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.593 12.902 1.655 1.00 0.00 H new ATOM 0 HG SER A 46 4.583 14.126 3.626 1.00 0.00 H new ATOM 102 N THR A 47 4.769 13.105 -1.384 1.00 0.00 N ATOM 103 CA THR A 47 4.569 12.182 -2.493 1.00 0.00 C ATOM 104 C THR A 47 5.397 10.915 -2.310 1.00 0.00 C ATOM 105 O THR A 47 6.001 10.414 -3.259 1.00 0.00 O ATOM 106 CB THR A 47 4.939 12.833 -3.839 1.00 0.00 C ATOM 107 OG1 THR A 47 6.205 13.494 -3.733 1.00 0.00 O ATOM 108 CG2 THR A 47 3.874 13.831 -4.268 1.00 0.00 C ATOM 0 H THR A 47 5.747 13.296 -1.165 1.00 0.00 H new ATOM 0 HA THR A 47 3.510 11.923 -2.502 1.00 0.00 H new ATOM 0 HB THR A 47 5.003 12.047 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.433 13.904 -4.594 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.157 14.278 -5.221 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.918 13.319 -4.377 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.783 14.613 -3.514 1.00 0.00 H new ATOM 116 N ILE A 48 5.421 10.401 -1.085 1.00 0.00 N ATOM 117 CA ILE A 48 6.174 9.192 -0.779 1.00 0.00 C ATOM 118 C ILE A 48 5.540 7.969 -1.434 1.00 0.00 C ATOM 119 O ILE A 48 6.224 6.993 -1.744 1.00 0.00 O ATOM 120 CB ILE A 48 6.267 8.956 0.740 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.868 8.890 1.355 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.089 10.054 1.398 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.847 8.301 2.748 1.00 0.00 C ATOM 0 H ILE A 48 4.927 10.803 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 48 7.178 9.336 -1.178 1.00 0.00 H new ATOM 0 HB ILE A 48 6.765 8.002 0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.447 9.895 1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.223 8.295 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.145 9.873 2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.095 10.057 0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.617 11.020 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.823 8.285 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.238 7.284 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.465 8.909 3.409 1.00 0.00 H new ATOM 135 N PHE A 49 4.229 8.029 -1.642 1.00 0.00 N ATOM 136 CA PHE A 49 3.502 6.927 -2.261 1.00 0.00 C ATOM 137 C PHE A 49 3.056 7.296 -3.674 1.00 0.00 C ATOM 138 O PHE A 49 1.978 6.902 -4.118 1.00 0.00 O ATOM 139 CB PHE A 49 2.287 6.549 -1.413 1.00 0.00 C ATOM 140 CG PHE A 49 2.632 5.726 -0.204 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.029 4.406 -0.339 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.558 6.273 1.067 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.348 3.646 0.770 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.876 5.518 2.180 1.00 0.00 C ATOM 145 CZ PHE A 49 3.270 4.203 2.032 1.00 0.00 C ATOM 0 H PHE A 49 3.648 8.829 -1.391 1.00 0.00 H new ATOM 0 HA PHE A 49 4.173 6.070 -2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.782 7.459 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.581 5.994 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.090 3.965 -1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.248 7.300 1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.658 2.618 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.816 5.956 3.165 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.517 3.611 2.901 1.00 0.00 H new ATOM 155 N SER A 50 3.893 8.054 -4.373 1.00 0.00 N ATOM 156 CA SER A 50 3.584 8.480 -5.733 1.00 0.00 C ATOM 157 C SER A 50 3.519 7.282 -6.676 1.00 0.00 C ATOM 158 O SER A 50 4.356 6.382 -6.614 1.00 0.00 O ATOM 159 CB SER A 50 4.634 9.477 -6.229 1.00 0.00 C ATOM 160 OG SER A 50 4.283 9.997 -7.500 1.00 0.00 O ATOM 0 H SER A 50 4.791 8.386 -4.021 1.00 0.00 H new ATOM 0 HA SER A 50 2.608 8.966 -5.722 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.732 10.293 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.606 8.987 -6.289 1.00 0.00 H new ATOM 0 HG SER A 50 4.969 10.633 -7.794 1.00 0.00 H new ATOM 166 N GLY A 51 2.517 7.279 -7.550 1.00 0.00 N ATOM 167 CA GLY A 51 2.359 6.187 -8.493 1.00 0.00 C ATOM 168 C GLY A 51 2.438 4.828 -7.827 1.00 0.00 C ATOM 169 O GLY A 51 3.063 3.907 -8.351 1.00 0.00 O ATOM 0 H GLY A 51 1.812 8.013 -7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.399 6.285 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.131 6.258 -9.259 1.00 0.00 H new ATOM 173 N VAL A 52 1.803 4.703 -6.666 1.00 0.00 N ATOM 174 CA VAL A 52 1.804 3.447 -5.925 1.00 0.00 C ATOM 175 C VAL A 52 0.384 2.945 -5.692 1.00 0.00 C ATOM 176 O VAL A 52 -0.293 3.379 -4.760 1.00 0.00 O ATOM 177 CB VAL A 52 2.514 3.597 -4.567 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.430 2.301 -3.775 1.00 0.00 C ATOM 179 CG2 VAL A 52 3.962 4.017 -4.766 1.00 0.00 C ATOM 0 H VAL A 52 1.281 5.456 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 52 2.347 2.722 -6.532 1.00 0.00 H new ATOM 0 HB VAL A 52 2.009 4.377 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.937 2.426 -2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.384 2.048 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.909 1.499 -4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.448 4.118 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.482 3.262 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.995 4.972 -5.290 1.00 0.00 H new ATOM 189 N ALA A 53 -0.062 2.028 -6.544 1.00 0.00 N ATOM 190 CA ALA A 53 -1.401 1.465 -6.429 1.00 0.00 C ATOM 191 C ALA A 53 -1.393 0.198 -5.581 1.00 0.00 C ATOM 192 O ALA A 53 -0.820 -0.819 -5.973 1.00 0.00 O ATOM 193 CB ALA A 53 -1.972 1.174 -7.809 1.00 0.00 C ATOM 0 H ALA A 53 0.485 1.659 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.035 2.200 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.973 0.754 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.023 2.099 -8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.330 0.461 -8.326 1.00 0.00 H new ATOM 199 N ILE A 54 -2.031 0.266 -4.417 1.00 0.00 N ATOM 200 CA ILE A 54 -2.097 -0.876 -3.514 1.00 0.00 C ATOM 201 C ILE A 54 -3.440 -1.589 -3.626 1.00 0.00 C ATOM 202 O ILE A 54 -4.456 -0.973 -3.951 1.00 0.00 O ATOM 203 CB ILE A 54 -1.875 -0.451 -2.051 1.00 0.00 C ATOM 204 CG1 ILE A 54 -3.043 0.408 -1.564 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.561 0.304 -1.912 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.269 0.331 -0.070 1.00 0.00 C ATOM 0 H ILE A 54 -2.510 1.100 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.300 -1.558 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.824 -1.347 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.861 1.446 -1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.952 0.095 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.418 0.598 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.263 -0.338 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.585 1.194 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.112 0.965 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.483 -0.700 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.375 0.672 0.451 1.00 0.00 H new ATOM 218 N TYR A 55 -3.439 -2.889 -3.354 1.00 0.00 N ATOM 219 CA TYR A 55 -4.657 -3.686 -3.424 1.00 0.00 C ATOM 220 C TYR A 55 -4.807 -4.563 -2.185 1.00 0.00 C ATOM 221 O TYR A 55 -4.136 -5.586 -2.049 1.00 0.00 O ATOM 222 CB TYR A 55 -4.650 -4.558 -4.682 1.00 0.00 C ATOM 223 CG TYR A 55 -5.706 -5.639 -4.675 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.006 -5.370 -5.087 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.406 -6.929 -4.257 1.00 0.00 C ATOM 226 CE1 TYR A 55 -7.975 -6.354 -5.083 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.369 -7.920 -4.250 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.652 -7.628 -4.664 1.00 0.00 C ATOM 229 OH TYR A 55 -8.613 -8.612 -4.658 1.00 0.00 O ATOM 0 H TYR A 55 -2.607 -3.413 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.505 -3.003 -3.468 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.798 -3.923 -5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.669 -5.021 -4.788 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.263 -4.374 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.403 -7.162 -3.932 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.980 -6.127 -5.406 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.118 -8.918 -3.922 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.449 -9.225 -3.911 1.00 0.00 H new ATOM 239 N VAL A 56 -5.694 -4.155 -1.283 1.00 0.00 N ATOM 240 CA VAL A 56 -5.935 -4.902 -0.055 1.00 0.00 C ATOM 241 C VAL A 56 -6.812 -6.122 -0.317 1.00 0.00 C ATOM 242 O VAL A 56 -7.900 -6.008 -0.880 1.00 0.00 O ATOM 243 CB VAL A 56 -6.607 -4.022 1.016 1.00 0.00 C ATOM 244 CG1 VAL A 56 -7.008 -4.859 2.221 1.00 0.00 C ATOM 245 CG2 VAL A 56 -5.682 -2.887 1.429 1.00 0.00 C ATOM 0 H VAL A 56 -6.258 -3.311 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.962 -5.229 0.312 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.511 -3.587 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.481 -4.220 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.709 -5.633 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.122 -5.325 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.172 -2.275 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.760 -3.300 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.450 -2.272 0.560 1.00 0.00 H new ATOM 255 N ASN A 57 -6.330 -7.290 0.095 1.00 0.00 N ATOM 256 CA ASN A 57 -7.070 -8.532 -0.095 1.00 0.00 C ATOM 257 C ASN A 57 -7.372 -9.196 1.245 1.00 0.00 C ATOM 258 O ASN A 57 -6.475 -9.709 1.913 1.00 0.00 O ATOM 259 CB ASN A 57 -6.276 -9.492 -0.984 1.00 0.00 C ATOM 260 CG ASN A 57 -7.063 -10.740 -1.334 1.00 0.00 C ATOM 261 OD1 ASN A 57 -8.027 -10.686 -2.098 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.654 -11.873 -0.776 1.00 0.00 N ATOM 0 H ASN A 57 -5.430 -7.402 0.562 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.015 -8.292 -0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.987 -8.979 -1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.355 -9.777 -0.475 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.144 -12.745 -0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.850 -11.871 -0.149 1.00 0.00 H new ATOM 269 N GLY A 58 -8.645 -9.182 1.632 1.00 0.00 N ATOM 270 CA GLY A 58 -9.044 -9.786 2.890 1.00 0.00 C ATOM 271 C GLY A 58 -8.838 -8.857 4.070 1.00 0.00 C ATOM 272 O GLY A 58 -8.264 -7.777 3.926 1.00 0.00 O ATOM 0 H GLY A 58 -9.406 -8.763 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.095 -10.072 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.473 -10.701 3.048 1.00 0.00 H new ATOM 276 N TYR A 59 -9.308 -9.276 5.240 1.00 0.00 N ATOM 277 CA TYR A 59 -9.176 -8.472 6.449 1.00 0.00 C ATOM 278 C TYR A 59 -7.735 -8.011 6.642 1.00 0.00 C ATOM 279 O TYR A 59 -6.793 -8.786 6.472 1.00 0.00 O ATOM 280 CB TYR A 59 -9.636 -9.270 7.670 1.00 0.00 C ATOM 281 CG TYR A 59 -8.526 -10.050 8.337 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.568 -9.408 9.112 1.00 0.00 C ATOM 283 CD2 TYR A 59 -8.435 -11.429 8.193 1.00 0.00 C ATOM 284 CE1 TYR A 59 -6.552 -10.116 9.723 1.00 0.00 C ATOM 285 CE2 TYR A 59 -7.423 -12.146 8.801 1.00 0.00 C ATOM 286 CZ TYR A 59 -6.483 -11.485 9.565 1.00 0.00 C ATOM 287 OH TYR A 59 -5.473 -12.194 10.173 1.00 0.00 O ATOM 0 H TYR A 59 -9.784 -10.168 5.377 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.808 -7.591 6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.075 -8.586 8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.423 -9.961 7.367 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.619 -8.337 9.239 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.169 -11.949 7.595 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.815 -9.601 10.321 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.368 -13.218 8.679 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.569 -13.146 9.962 1.00 0.00 H new ATOM 297 N THR A 60 -7.569 -6.741 7.000 1.00 0.00 N ATOM 298 CA THR A 60 -6.244 -6.175 7.216 1.00 0.00 C ATOM 299 C THR A 60 -6.261 -5.155 8.350 1.00 0.00 C ATOM 300 O THR A 60 -7.315 -4.635 8.714 1.00 0.00 O ATOM 301 CB THR A 60 -5.707 -5.499 5.941 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.711 -4.646 5.378 1.00 0.00 O ATOM 303 CG2 THR A 60 -5.284 -6.539 4.914 1.00 0.00 C ATOM 0 H THR A 60 -8.337 -6.085 7.146 1.00 0.00 H new ATOM 0 HA THR A 60 -5.586 -7.002 7.484 1.00 0.00 H new ATOM 0 HB THR A 60 -4.835 -4.903 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.702 -3.781 5.839 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.908 -6.038 4.022 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.499 -7.168 5.335 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.141 -7.158 4.648 1.00 0.00 H new ATOM 311 N ASP A 61 -5.086 -4.874 8.903 1.00 0.00 N ATOM 312 CA ASP A 61 -4.965 -3.914 9.994 1.00 0.00 C ATOM 313 C ASP A 61 -3.947 -2.830 9.655 1.00 0.00 C ATOM 314 O ASP A 61 -2.738 -3.063 9.637 1.00 0.00 O ATOM 315 CB ASP A 61 -4.559 -4.626 11.285 1.00 0.00 C ATOM 316 CG ASP A 61 -4.031 -3.667 12.334 1.00 0.00 C ATOM 317 OD1 ASP A 61 -4.664 -2.612 12.544 1.00 0.00 O ATOM 318 OD2 ASP A 61 -2.984 -3.972 12.944 1.00 0.00 O ATOM 0 H ASP A 61 -4.204 -5.297 8.614 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.937 -3.442 10.138 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.419 -5.162 11.687 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.796 -5.371 11.061 1.00 0.00 H new ATOM 323 N PRO A 62 -4.445 -1.616 9.378 1.00 0.00 N ATOM 324 CA PRO A 62 -5.882 -1.326 9.395 1.00 0.00 C ATOM 325 C PRO A 62 -6.623 -2.000 8.246 1.00 0.00 C ATOM 326 O PRO A 62 -6.038 -2.769 7.483 1.00 0.00 O ATOM 327 CB PRO A 62 -5.939 0.196 9.249 1.00 0.00 C ATOM 328 CG PRO A 62 -4.673 0.558 8.553 1.00 0.00 C ATOM 329 CD PRO A 62 -3.643 -0.432 9.025 1.00 0.00 C ATOM 0 HA PRO A 62 -6.362 -1.699 10.300 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.810 0.506 8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.010 0.684 10.221 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.795 0.509 7.471 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.373 1.578 8.794 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.915 -0.657 8.245 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.085 -0.054 9.882 1.00 0.00 H new ATOM 337 N SER A 63 -7.914 -1.707 8.128 1.00 0.00 N ATOM 338 CA SER A 63 -8.736 -2.288 7.073 1.00 0.00 C ATOM 339 C SER A 63 -8.463 -1.608 5.735 1.00 0.00 C ATOM 340 O SER A 63 -7.651 -0.687 5.648 1.00 0.00 O ATOM 341 CB SER A 63 -10.220 -2.165 7.427 1.00 0.00 C ATOM 342 OG SER A 63 -10.657 -3.281 8.183 1.00 0.00 O ATOM 0 H SER A 63 -8.413 -1.071 8.750 1.00 0.00 H new ATOM 0 HA SER A 63 -8.477 -3.343 6.984 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.387 -1.249 7.994 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.810 -2.087 6.514 1.00 0.00 H new ATOM 0 HG SER A 63 -11.608 -3.178 8.398 1.00 0.00 H new ATOM 348 N ALA A 64 -9.148 -2.069 4.693 1.00 0.00 N ATOM 349 CA ALA A 64 -8.982 -1.504 3.359 1.00 0.00 C ATOM 350 C ALA A 64 -9.479 -0.064 3.307 1.00 0.00 C ATOM 351 O ALA A 64 -8.868 0.790 2.664 1.00 0.00 O ATOM 352 CB ALA A 64 -9.713 -2.355 2.332 1.00 0.00 C ATOM 0 H ALA A 64 -9.823 -2.832 4.747 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.918 -1.501 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.581 -1.922 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.308 -3.367 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.775 -2.387 2.575 1.00 0.00 H new ATOM 358 N GLU A 65 -10.590 0.199 3.987 1.00 0.00 N ATOM 359 CA GLU A 65 -11.169 1.538 4.016 1.00 0.00 C ATOM 360 C GLU A 65 -10.140 2.566 4.477 1.00 0.00 C ATOM 361 O GLU A 65 -9.990 3.624 3.869 1.00 0.00 O ATOM 362 CB GLU A 65 -12.388 1.570 4.939 1.00 0.00 C ATOM 363 CG GLU A 65 -13.178 2.866 4.859 1.00 0.00 C ATOM 364 CD GLU A 65 -14.323 2.913 5.852 1.00 0.00 C ATOM 365 OE1 GLU A 65 -14.093 3.343 7.002 1.00 0.00 O ATOM 366 OE2 GLU A 65 -15.449 2.522 5.479 1.00 0.00 O ATOM 0 H GLU A 65 -11.107 -0.496 4.525 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.482 1.793 3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.045 0.738 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.059 1.418 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.509 3.707 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.572 2.985 3.850 1.00 0.00 H new ATOM 373 N GLU A 66 -9.435 2.245 5.558 1.00 0.00 N ATOM 374 CA GLU A 66 -8.421 3.141 6.102 1.00 0.00 C ATOM 375 C GLU A 66 -7.378 3.488 5.044 1.00 0.00 C ATOM 376 O GLU A 66 -7.159 4.659 4.731 1.00 0.00 O ATOM 377 CB GLU A 66 -7.741 2.502 7.314 1.00 0.00 C ATOM 378 CG GLU A 66 -8.552 2.612 8.595 1.00 0.00 C ATOM 379 CD GLU A 66 -9.963 2.080 8.439 1.00 0.00 C ATOM 380 OE1 GLU A 66 -10.851 2.862 8.041 1.00 0.00 O ATOM 381 OE2 GLU A 66 -10.179 0.882 8.716 1.00 0.00 O ATOM 0 H GLU A 66 -9.547 1.372 6.074 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.916 4.060 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.553 1.449 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.771 2.974 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.046 2.063 9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.594 3.656 8.906 1.00 0.00 H new ATOM 388 N LEU A 67 -6.735 2.462 4.496 1.00 0.00 N ATOM 389 CA LEU A 67 -5.713 2.657 3.473 1.00 0.00 C ATOM 390 C LEU A 67 -6.289 3.381 2.260 1.00 0.00 C ATOM 391 O LEU A 67 -5.627 4.228 1.659 1.00 0.00 O ATOM 392 CB LEU A 67 -5.127 1.310 3.047 1.00 0.00 C ATOM 393 CG LEU A 67 -4.652 0.397 4.178 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.343 -0.994 3.646 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.432 0.990 4.866 1.00 0.00 C ATOM 0 H LEU A 67 -6.903 1.487 4.743 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.920 3.273 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.880 0.776 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.285 1.497 2.380 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.453 0.314 4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.006 -1.630 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.241 -1.421 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.559 -0.929 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.108 0.327 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.625 1.104 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.687 1.965 5.282 1.00 0.00 H new ATOM 407 N ARG A 68 -7.525 3.044 1.908 1.00 0.00 N ATOM 408 CA ARG A 68 -8.189 3.663 0.767 1.00 0.00 C ATOM 409 C ARG A 68 -7.947 5.169 0.748 1.00 0.00 C ATOM 410 O ARG A 68 -7.522 5.728 -0.263 1.00 0.00 O ATOM 411 CB ARG A 68 -9.692 3.377 0.809 1.00 0.00 C ATOM 412 CG ARG A 68 -10.413 3.722 -0.484 1.00 0.00 C ATOM 413 CD ARG A 68 -10.440 2.539 -1.439 1.00 0.00 C ATOM 414 NE ARG A 68 -10.750 2.947 -2.807 1.00 0.00 N ATOM 415 CZ ARG A 68 -11.985 3.157 -3.249 1.00 0.00 C ATOM 416 NH1 ARG A 68 -13.020 2.998 -2.436 1.00 0.00 N ATOM 417 NH2 ARG A 68 -12.187 3.527 -4.508 1.00 0.00 N ATOM 0 H ARG A 68 -8.087 2.346 2.396 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.769 3.234 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.846 2.321 1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.138 3.943 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.433 4.034 -0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.919 4.567 -0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.473 2.036 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.182 1.816 -1.099 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.976 3.078 -3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.869 2.714 -1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.967 3.160 -2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.393 3.650 -5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.136 3.688 -4.846 1.00 0.00 H new ATOM 431 N LYS A 69 -8.221 5.821 1.873 1.00 0.00 N ATOM 432 CA LYS A 69 -8.033 7.263 1.988 1.00 0.00 C ATOM 433 C LYS A 69 -6.559 7.605 2.181 1.00 0.00 C ATOM 434 O LYS A 69 -5.967 8.323 1.373 1.00 0.00 O ATOM 435 CB LYS A 69 -8.853 7.813 3.157 1.00 0.00 C ATOM 436 CG LYS A 69 -10.349 7.838 2.893 1.00 0.00 C ATOM 437 CD LYS A 69 -11.010 6.536 3.313 1.00 0.00 C ATOM 438 CE LYS A 69 -11.194 6.466 4.821 1.00 0.00 C ATOM 439 NZ LYS A 69 -12.364 7.268 5.275 1.00 0.00 N ATOM 0 H LYS A 69 -8.574 5.373 2.719 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.377 7.725 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.659 7.208 4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.515 8.825 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.801 8.668 3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.530 8.013 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.979 6.444 2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.403 5.694 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.327 5.427 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.292 6.828 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.455 7.194 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.226 8.264 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.229 6.906 4.824 1.00 0.00 H new ATOM 453 N LEU A 70 -5.972 7.087 3.254 1.00 0.00 N ATOM 454 CA LEU A 70 -4.566 7.337 3.552 1.00 0.00 C ATOM 455 C LEU A 70 -3.743 7.413 2.270 1.00 0.00 C ATOM 456 O LEU A 70 -2.913 8.306 2.105 1.00 0.00 O ATOM 457 CB LEU A 70 -4.014 6.239 4.462 1.00 0.00 C ATOM 458 CG LEU A 70 -4.537 6.233 5.899 1.00 0.00 C ATOM 459 CD1 LEU A 70 -4.171 4.931 6.594 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.989 7.424 6.671 1.00 0.00 C ATOM 0 H LEU A 70 -6.447 6.491 3.932 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.494 8.296 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.240 5.273 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.928 6.331 4.492 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.624 6.313 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.551 4.944 7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.612 4.094 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.087 4.820 6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.372 7.403 7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.900 7.375 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.302 8.348 6.185 1.00 0.00 H new ATOM 472 N MET A 71 -3.980 6.469 1.364 1.00 0.00 N ATOM 473 CA MET A 71 -3.262 6.431 0.095 1.00 0.00 C ATOM 474 C MET A 71 -3.453 7.733 -0.677 1.00 0.00 C ATOM 475 O MET A 71 -2.520 8.522 -0.821 1.00 0.00 O ATOM 476 CB MET A 71 -3.740 5.249 -0.750 1.00 0.00 C ATOM 477 CG MET A 71 -3.359 3.895 -0.171 1.00 0.00 C ATOM 478 SD MET A 71 -1.659 3.431 -0.551 1.00 0.00 S ATOM 479 CE MET A 71 -0.772 4.314 0.731 1.00 0.00 C ATOM 0 H MET A 71 -4.663 5.721 1.485 1.00 0.00 H new ATOM 0 HA MET A 71 -2.200 6.309 0.310 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.824 5.300 -0.851 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.322 5.337 -1.753 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.493 3.916 0.911 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.035 3.134 -0.561 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.035 3.688 1.112 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.355 5.233 0.318 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.456 4.559 1.544 1.00 0.00 H new ATOM 489 N MET A 72 -4.668 7.949 -1.171 1.00 0.00 N ATOM 490 CA MET A 72 -4.980 9.156 -1.928 1.00 0.00 C ATOM 491 C MET A 72 -4.468 10.399 -1.205 1.00 0.00 C ATOM 492 O MET A 72 -3.901 11.300 -1.824 1.00 0.00 O ATOM 493 CB MET A 72 -6.489 9.267 -2.152 1.00 0.00 C ATOM 494 CG MET A 72 -7.093 8.054 -2.840 1.00 0.00 C ATOM 495 SD MET A 72 -7.087 8.201 -4.637 1.00 0.00 S ATOM 496 CE MET A 72 -8.813 8.560 -4.953 1.00 0.00 C ATOM 0 H MET A 72 -5.451 7.305 -1.061 1.00 0.00 H new ATOM 0 HA MET A 72 -4.481 9.088 -2.895 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.981 9.411 -1.190 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.695 10.154 -2.751 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.537 7.162 -2.550 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.117 7.917 -2.494 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.970 8.679 -6.025 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.429 7.739 -4.585 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.093 9.481 -4.441 1.00 0.00 H new ATOM 506 N LEU A 73 -4.673 10.441 0.107 1.00 0.00 N ATOM 507 CA LEU A 73 -4.233 11.573 0.914 1.00 0.00 C ATOM 508 C LEU A 73 -2.755 11.869 0.676 1.00 0.00 C ATOM 509 O LEU A 73 -2.343 13.029 0.632 1.00 0.00 O ATOM 510 CB LEU A 73 -4.476 11.293 2.397 1.00 0.00 C ATOM 511 CG LEU A 73 -5.914 11.468 2.887 1.00 0.00 C ATOM 512 CD1 LEU A 73 -6.169 10.606 4.113 1.00 0.00 C ATOM 513 CD2 LEU A 73 -6.199 12.931 3.192 1.00 0.00 C ATOM 0 H LEU A 73 -5.141 9.704 0.634 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.813 12.447 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.163 10.271 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.832 11.951 2.981 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.589 11.145 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.197 10.744 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.007 9.558 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.486 10.897 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.227 13.037 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.516 13.281 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.058 13.525 2.289 1.00 0.00 H new ATOM 525 N HIS A 74 -1.963 10.813 0.521 1.00 0.00 N ATOM 526 CA HIS A 74 -0.531 10.960 0.285 1.00 0.00 C ATOM 527 C HIS A 74 -0.175 10.577 -1.148 1.00 0.00 C ATOM 528 O HIS A 74 0.931 10.112 -1.420 1.00 0.00 O ATOM 529 CB HIS A 74 0.261 10.097 1.268 1.00 0.00 C ATOM 530 CG HIS A 74 0.049 10.474 2.702 1.00 0.00 C ATOM 531 ND1 HIS A 74 0.691 11.536 3.304 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.742 9.926 3.654 1.00 0.00 C ATOM 533 CE1 HIS A 74 0.306 11.623 4.564 1.00 0.00 C ATOM 534 NE2 HIS A 74 -0.564 10.657 4.802 1.00 0.00 N ATOM 0 H HIS A 74 -2.288 9.847 0.555 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.268 12.007 0.439 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.020 9.053 1.130 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.323 10.175 1.034 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.392 9.072 3.533 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.645 12.359 5.279 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.028 10.483 5.694 1.00 0.00 H new ATOM 542 N GLY A 75 -1.121 10.775 -2.062 1.00 0.00 N ATOM 543 CA GLY A 75 -0.887 10.444 -3.455 1.00 0.00 C ATOM 544 C GLY A 75 -1.177 8.988 -3.761 1.00 0.00 C ATOM 545 O GLY A 75 -1.573 8.647 -4.875 1.00 0.00 O ATOM 0 H GLY A 75 -2.045 11.159 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.512 11.076 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.149 10.666 -3.709 1.00 0.00 H new ATOM 549 N GLY A 76 -0.978 8.125 -2.770 1.00 0.00 N ATOM 550 CA GLY A 76 -1.224 6.707 -2.959 1.00 0.00 C ATOM 551 C GLY A 76 -2.505 6.438 -3.724 1.00 0.00 C ATOM 552 O GLY A 76 -3.370 7.308 -3.823 1.00 0.00 O ATOM 0 H GLY A 76 -0.651 8.382 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.385 6.264 -3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.276 6.217 -1.986 1.00 0.00 H new ATOM 556 N GLN A 77 -2.625 5.232 -4.269 1.00 0.00 N ATOM 557 CA GLN A 77 -3.808 4.852 -5.031 1.00 0.00 C ATOM 558 C GLN A 77 -4.323 3.485 -4.593 1.00 0.00 C ATOM 559 O GLN A 77 -3.569 2.665 -4.069 1.00 0.00 O ATOM 560 CB GLN A 77 -3.493 4.836 -6.528 1.00 0.00 C ATOM 561 CG GLN A 77 -3.028 6.180 -7.066 1.00 0.00 C ATOM 562 CD GLN A 77 -2.401 6.072 -8.442 1.00 0.00 C ATOM 563 OE1 GLN A 77 -1.199 5.838 -8.573 1.00 0.00 O ATOM 564 NE2 GLN A 77 -3.214 6.242 -9.478 1.00 0.00 N ATOM 0 H GLN A 77 -1.917 4.501 -4.197 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.586 5.591 -4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.722 4.090 -6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.383 4.523 -7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.877 6.863 -7.110 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.305 6.614 -6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.204 6.434 -9.323 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.849 6.180 -10.428 1.00 0.00 H new ATOM 573 N TYR A 78 -5.611 3.246 -4.811 1.00 0.00 N ATOM 574 CA TYR A 78 -6.228 1.979 -4.436 1.00 0.00 C ATOM 575 C TYR A 78 -6.874 1.309 -5.645 1.00 0.00 C ATOM 576 O TYR A 78 -7.523 1.965 -6.461 1.00 0.00 O ATOM 577 CB TYR A 78 -7.274 2.200 -3.343 1.00 0.00 C ATOM 578 CG TYR A 78 -7.774 0.919 -2.715 1.00 0.00 C ATOM 579 CD1 TYR A 78 -8.436 -0.038 -3.474 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.583 0.665 -1.362 1.00 0.00 C ATOM 581 CE1 TYR A 78 -8.895 -1.210 -2.903 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.037 -0.505 -0.784 1.00 0.00 C ATOM 583 CZ TYR A 78 -8.693 -1.438 -1.558 1.00 0.00 C ATOM 584 OH TYR A 78 -9.147 -2.605 -0.987 1.00 0.00 O ATOM 0 H TYR A 78 -6.249 3.913 -5.246 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.446 1.323 -4.054 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.846 2.833 -2.565 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.120 2.742 -3.766 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.595 0.137 -4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.071 1.395 -0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.409 -1.943 -3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.879 -0.688 0.269 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.138 -3.321 -1.656 1.00 0.00 H new ATOM 594 N HIS A 79 -6.691 -0.004 -5.754 1.00 0.00 N ATOM 595 CA HIS A 79 -7.256 -0.765 -6.862 1.00 0.00 C ATOM 596 C HIS A 79 -8.265 -1.792 -6.357 1.00 0.00 C ATOM 597 O HIS A 79 -8.108 -2.349 -5.270 1.00 0.00 O ATOM 598 CB HIS A 79 -6.146 -1.466 -7.646 1.00 0.00 C ATOM 599 CG HIS A 79 -5.350 -0.540 -8.514 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.512 -0.983 -9.516 1.00 0.00 N ATOM 601 CD2 HIS A 79 -5.270 0.811 -8.528 1.00 0.00 C ATOM 602 CE1 HIS A 79 -3.949 0.056 -10.107 1.00 0.00 C ATOM 603 NE2 HIS A 79 -4.393 1.157 -9.526 1.00 0.00 N ATOM 0 H HIS A 79 -6.156 -0.562 -5.089 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.772 -0.069 -7.523 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.474 -1.961 -6.945 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.588 -2.244 -8.268 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.798 1.491 -7.875 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.246 0.013 -10.926 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.127 2.109 -9.778 1.00 0.00 H new ATOM 611 N VAL A 80 -9.301 -2.039 -7.152 1.00 0.00 N ATOM 612 CA VAL A 80 -10.334 -2.999 -6.786 1.00 0.00 C ATOM 613 C VAL A 80 -10.392 -4.152 -7.782 1.00 0.00 C ATOM 614 O VAL A 80 -10.995 -5.191 -7.512 1.00 0.00 O ATOM 615 CB VAL A 80 -11.720 -2.331 -6.710 1.00 0.00 C ATOM 616 CG1 VAL A 80 -12.790 -3.356 -6.366 1.00 0.00 C ATOM 617 CG2 VAL A 80 -11.710 -1.198 -5.696 1.00 0.00 C ATOM 0 H VAL A 80 -9.447 -1.587 -8.055 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.071 -3.386 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.955 -1.911 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.762 -2.865 -6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -12.813 -4.130 -7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.563 -3.809 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -12.697 -0.737 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.453 -1.592 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.973 -0.451 -5.992 1.00 0.00 H new ATOM 627 N TYR A 81 -9.761 -3.961 -8.935 1.00 0.00 N ATOM 628 CA TYR A 81 -9.741 -4.984 -9.974 1.00 0.00 C ATOM 629 C TYR A 81 -8.501 -5.864 -9.850 1.00 0.00 C ATOM 630 O TYR A 81 -8.437 -6.952 -10.422 1.00 0.00 O ATOM 631 CB TYR A 81 -9.783 -4.336 -11.359 1.00 0.00 C ATOM 632 CG TYR A 81 -11.109 -3.685 -11.682 1.00 0.00 C ATOM 633 CD1 TYR A 81 -11.516 -2.528 -11.029 1.00 0.00 C ATOM 634 CD2 TYR A 81 -11.955 -4.227 -12.643 1.00 0.00 C ATOM 635 CE1 TYR A 81 -12.727 -1.931 -11.321 1.00 0.00 C ATOM 636 CE2 TYR A 81 -13.167 -3.635 -12.943 1.00 0.00 C ATOM 637 CZ TYR A 81 -13.548 -2.488 -12.279 1.00 0.00 C ATOM 638 OH TYR A 81 -14.755 -1.895 -12.574 1.00 0.00 O ATOM 0 H TYR A 81 -9.257 -3.107 -9.174 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.623 -5.611 -9.846 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -8.994 -3.587 -11.425 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -9.566 -5.094 -12.112 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -10.874 -2.088 -10.280 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.660 -5.126 -13.164 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.029 -1.033 -10.802 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -13.812 -4.068 -13.693 1.00 0.00 H new ATOM 0 HH TYR A 81 -15.211 -2.411 -13.271 1.00 0.00 H new ATOM 648 N TYR A 82 -7.517 -5.384 -9.097 1.00 0.00 N ATOM 649 CA TYR A 82 -6.277 -6.124 -8.898 1.00 0.00 C ATOM 650 C TYR A 82 -5.656 -6.517 -10.235 1.00 0.00 C ATOM 651 O TYR A 82 -5.385 -7.692 -10.485 1.00 0.00 O ATOM 652 CB TYR A 82 -6.534 -7.374 -8.055 1.00 0.00 C ATOM 653 CG TYR A 82 -5.340 -8.296 -7.959 1.00 0.00 C ATOM 654 CD1 TYR A 82 -4.049 -7.787 -7.881 1.00 0.00 C ATOM 655 CD2 TYR A 82 -5.501 -9.676 -7.946 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.954 -8.626 -7.794 1.00 0.00 C ATOM 657 CE2 TYR A 82 -4.413 -10.522 -7.857 1.00 0.00 C ATOM 658 CZ TYR A 82 -3.141 -9.992 -7.782 1.00 0.00 C ATOM 659 OH TYR A 82 -2.054 -10.831 -7.695 1.00 0.00 O ATOM 0 H TYR A 82 -7.554 -4.486 -8.615 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.578 -5.476 -8.370 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.829 -7.070 -7.051 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.373 -7.923 -8.482 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.899 -6.718 -7.888 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.495 -10.095 -8.007 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.957 -8.214 -7.736 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.557 -11.592 -7.846 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.278 -10.405 -8.115 1.00 0.00 H new ATOM 669 N SER A 83 -5.432 -5.525 -11.090 1.00 0.00 N ATOM 670 CA SER A 83 -4.846 -5.766 -12.404 1.00 0.00 C ATOM 671 C SER A 83 -3.324 -5.816 -12.318 1.00 0.00 C ATOM 672 O SER A 83 -2.655 -4.783 -12.346 1.00 0.00 O ATOM 673 CB SER A 83 -5.278 -4.675 -13.386 1.00 0.00 C ATOM 674 OG SER A 83 -6.476 -5.033 -14.052 1.00 0.00 O ATOM 0 H SER A 83 -5.647 -4.547 -10.897 1.00 0.00 H new ATOM 0 HA SER A 83 -5.204 -6.731 -12.764 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.422 -3.736 -12.851 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.488 -4.507 -14.118 1.00 0.00 H new ATOM 0 HG SER A 83 -6.731 -4.319 -14.672 1.00 0.00 H new ATOM 680 N ARG A 84 -2.783 -7.026 -12.215 1.00 0.00 N ATOM 681 CA ARG A 84 -1.340 -7.212 -12.124 1.00 0.00 C ATOM 682 C ARG A 84 -0.603 -6.168 -12.958 1.00 0.00 C ATOM 683 O ARG A 84 0.299 -5.490 -12.467 1.00 0.00 O ATOM 684 CB ARG A 84 -0.955 -8.617 -12.591 1.00 0.00 C ATOM 685 CG ARG A 84 -0.950 -9.649 -11.475 1.00 0.00 C ATOM 686 CD ARG A 84 -1.243 -11.044 -12.005 1.00 0.00 C ATOM 687 NE ARG A 84 -0.294 -11.447 -13.040 1.00 0.00 N ATOM 688 CZ ARG A 84 -0.357 -12.608 -13.683 1.00 0.00 C ATOM 689 NH1 ARG A 84 -1.320 -13.475 -13.400 1.00 0.00 N ATOM 690 NH2 ARG A 84 0.543 -12.903 -14.612 1.00 0.00 N ATOM 0 H ARG A 84 -3.322 -7.891 -12.193 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.049 -7.090 -11.081 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.651 -8.936 -13.367 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.035 -8.581 -13.046 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.020 -9.644 -10.978 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.694 -9.380 -10.725 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.208 -11.759 -11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.255 -11.073 -12.410 1.00 0.00 H new ATOM 0 HE ARG A 84 0.458 -10.802 -13.282 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.014 -13.251 -12.687 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.366 -14.366 -13.895 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.284 -12.238 -14.833 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.494 -13.795 -15.105 1.00 0.00 H new ATOM 704 N SER A 85 -0.994 -6.045 -14.222 1.00 0.00 N ATOM 705 CA SER A 85 -0.369 -5.087 -15.126 1.00 0.00 C ATOM 706 C SER A 85 -0.451 -3.672 -14.560 1.00 0.00 C ATOM 707 O SER A 85 0.547 -2.953 -14.506 1.00 0.00 O ATOM 708 CB SER A 85 -1.038 -5.138 -16.501 1.00 0.00 C ATOM 709 OG SER A 85 -0.467 -4.187 -17.382 1.00 0.00 O ATOM 0 H SER A 85 -1.741 -6.597 -14.644 1.00 0.00 H new ATOM 0 HA SER A 85 0.682 -5.357 -15.231 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.933 -6.138 -16.923 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.106 -4.946 -16.397 1.00 0.00 H new ATOM 0 HG SER A 85 -0.911 -4.241 -18.254 1.00 0.00 H new ATOM 715 N LYS A 86 -1.648 -3.279 -14.138 1.00 0.00 N ATOM 716 CA LYS A 86 -1.863 -1.952 -13.575 1.00 0.00 C ATOM 717 C LYS A 86 -1.297 -1.862 -12.161 1.00 0.00 C ATOM 718 O LYS A 86 -0.338 -1.131 -11.910 1.00 0.00 O ATOM 719 CB LYS A 86 -3.357 -1.618 -13.559 1.00 0.00 C ATOM 720 CG LYS A 86 -3.841 -0.935 -14.826 1.00 0.00 C ATOM 721 CD LYS A 86 -4.001 -1.925 -15.967 1.00 0.00 C ATOM 722 CE LYS A 86 -4.855 -1.352 -17.088 1.00 0.00 C ATOM 723 NZ LYS A 86 -4.795 -2.191 -18.316 1.00 0.00 N ATOM 0 H LYS A 86 -2.485 -3.861 -14.175 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.341 -1.230 -14.203 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.925 -2.537 -13.412 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.568 -0.973 -12.706 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.794 -0.443 -14.634 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.134 -0.158 -15.114 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.019 -2.193 -16.357 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.457 -2.842 -15.593 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.889 -1.273 -16.752 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.518 -0.342 -17.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.390 -1.767 -19.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.812 -2.246 -18.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.141 -3.148 -18.100 1.00 0.00 H new ATOM 737 N THR A 87 -1.894 -2.612 -11.240 1.00 0.00 N ATOM 738 CA THR A 87 -1.449 -2.618 -9.853 1.00 0.00 C ATOM 739 C THR A 87 0.061 -2.809 -9.760 1.00 0.00 C ATOM 740 O THR A 87 0.701 -3.248 -10.716 1.00 0.00 O ATOM 741 CB THR A 87 -2.146 -3.728 -9.043 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.562 -3.665 -9.245 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.834 -3.594 -7.561 1.00 0.00 C ATOM 0 H THR A 87 -2.688 -3.224 -11.431 1.00 0.00 H new ATOM 0 HA THR A 87 -1.717 -1.649 -9.432 1.00 0.00 H new ATOM 0 HB THR A 87 -1.772 -4.691 -9.391 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.860 -2.733 -9.187 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.337 -4.389 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.758 -3.671 -7.407 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.183 -2.626 -7.202 1.00 0.00 H new ATOM 751 N THR A 88 0.625 -2.478 -8.603 1.00 0.00 N ATOM 752 CA THR A 88 2.060 -2.613 -8.386 1.00 0.00 C ATOM 753 C THR A 88 2.353 -3.526 -7.201 1.00 0.00 C ATOM 754 O THR A 88 3.154 -4.456 -7.304 1.00 0.00 O ATOM 755 CB THR A 88 2.722 -1.244 -8.141 1.00 0.00 C ATOM 756 OG1 THR A 88 2.128 -0.609 -7.003 1.00 0.00 O ATOM 757 CG2 THR A 88 2.578 -0.347 -9.361 1.00 0.00 C ATOM 0 H THR A 88 0.110 -2.114 -7.801 1.00 0.00 H new ATOM 0 HA THR A 88 2.477 -3.053 -9.292 1.00 0.00 H new ATOM 0 HB THR A 88 3.783 -1.407 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.731 -0.684 -6.234 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.053 0.614 -9.164 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.057 -0.820 -10.219 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.521 -0.192 -9.576 1.00 0.00 H new ATOM 765 N HIS A 89 1.700 -3.256 -6.075 1.00 0.00 N ATOM 766 CA HIS A 89 1.890 -4.055 -4.870 1.00 0.00 C ATOM 767 C HIS A 89 0.579 -4.703 -4.435 1.00 0.00 C ATOM 768 O HIS A 89 -0.482 -4.411 -4.988 1.00 0.00 O ATOM 769 CB HIS A 89 2.443 -3.187 -3.740 1.00 0.00 C ATOM 770 CG HIS A 89 3.747 -2.529 -4.073 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.844 -1.426 -4.895 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.011 -2.822 -3.688 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.112 -1.071 -5.003 1.00 0.00 C ATOM 774 NE2 HIS A 89 5.841 -1.902 -4.280 1.00 0.00 N ATOM 0 H HIS A 89 1.035 -2.490 -5.972 1.00 0.00 H new ATOM 0 HA HIS A 89 2.607 -4.844 -5.096 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.711 -2.419 -3.492 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.573 -3.803 -2.850 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.311 -3.629 -3.036 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.489 -0.242 -5.584 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.855 -1.866 -4.178 1.00 0.00 H new ATOM 782 N ILE A 90 0.660 -5.582 -3.443 1.00 0.00 N ATOM 783 CA ILE A 90 -0.520 -6.270 -2.934 1.00 0.00 C ATOM 784 C ILE A 90 -0.517 -6.315 -1.410 1.00 0.00 C ATOM 785 O ILE A 90 0.303 -7.003 -0.801 1.00 0.00 O ATOM 786 CB ILE A 90 -0.612 -7.708 -3.478 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.716 -7.694 -5.005 1.00 0.00 C ATOM 788 CG2 ILE A 90 -1.803 -8.431 -2.867 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.319 -9.003 -5.650 1.00 0.00 C ATOM 0 H ILE A 90 1.530 -5.835 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.386 -5.704 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 90 0.295 -8.244 -3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.741 -7.455 -5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.082 -6.898 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.854 -9.446 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.689 -8.468 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.720 -7.898 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.417 -8.920 -6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.715 -9.235 -5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.969 -9.799 -5.287 1.00 0.00 H new ATOM 801 N ILE A 91 -1.439 -5.578 -0.800 1.00 0.00 N ATOM 802 CA ILE A 91 -1.544 -5.536 0.653 1.00 0.00 C ATOM 803 C ILE A 91 -2.364 -6.709 1.180 1.00 0.00 C ATOM 804 O ILE A 91 -3.562 -6.810 0.916 1.00 0.00 O ATOM 805 CB ILE A 91 -2.185 -4.220 1.133 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.349 -3.023 0.673 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.327 -4.222 2.648 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.084 -3.067 1.154 1.00 0.00 C ATOM 0 H ILE A 91 -2.124 -5.002 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.529 -5.601 1.044 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.179 -4.136 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.357 -2.981 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.816 -2.105 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.781 -3.286 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.958 -5.056 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.343 -4.325 3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.617 -2.188 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.102 -3.077 2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.568 -3.967 0.775 1.00 0.00 H new ATOM 820 N ALA A 92 -1.710 -7.593 1.926 1.00 0.00 N ATOM 821 CA ALA A 92 -2.379 -8.757 2.493 1.00 0.00 C ATOM 822 C ALA A 92 -1.674 -9.233 3.759 1.00 0.00 C ATOM 823 O ALA A 92 -0.455 -9.407 3.776 1.00 0.00 O ATOM 824 CB ALA A 92 -2.444 -9.880 1.469 1.00 0.00 C ATOM 0 H ALA A 92 -0.718 -7.525 2.152 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.395 -8.466 2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.946 -10.743 1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.999 -9.543 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.433 -10.161 1.172 1.00 0.00 H new ATOM 830 N THR A 93 -2.448 -9.442 4.819 1.00 0.00 N ATOM 831 CA THR A 93 -1.897 -9.896 6.090 1.00 0.00 C ATOM 832 C THR A 93 -1.488 -11.363 6.019 1.00 0.00 C ATOM 833 O THR A 93 -0.383 -11.729 6.417 1.00 0.00 O ATOM 834 CB THR A 93 -2.908 -9.711 7.238 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.664 -8.512 7.037 1.00 0.00 O ATOM 836 CG2 THR A 93 -2.195 -9.649 8.581 1.00 0.00 C ATOM 0 H THR A 93 -3.459 -9.304 4.823 1.00 0.00 H new ATOM 0 HA THR A 93 -1.016 -9.286 6.289 1.00 0.00 H new ATOM 0 HB THR A 93 -3.582 -10.568 7.241 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.576 -8.743 6.763 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.928 -9.518 9.377 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.644 -10.576 8.744 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.501 -8.809 8.586 1.00 0.00 H new ATOM 844 N ASN A 94 -2.387 -12.199 5.510 1.00 0.00 N ATOM 845 CA ASN A 94 -2.119 -13.627 5.387 1.00 0.00 C ATOM 846 C ASN A 94 -2.873 -14.223 4.202 1.00 0.00 C ATOM 847 O ASN A 94 -4.019 -13.857 3.934 1.00 0.00 O ATOM 848 CB ASN A 94 -2.513 -14.354 6.674 1.00 0.00 C ATOM 849 CG ASN A 94 -3.993 -14.682 6.723 1.00 0.00 C ATOM 850 OD1 ASN A 94 -4.836 -13.849 6.391 1.00 0.00 O ATOM 851 ND2 ASN A 94 -4.315 -15.901 7.140 1.00 0.00 N ATOM 0 H ASN A 94 -3.307 -11.912 5.176 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.050 -13.757 5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.937 -15.275 6.759 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.252 -13.735 7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -5.295 -16.179 7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -3.582 -16.559 7.405 1.00 0.00 H new ATOM 858 N LEU A 95 -2.224 -15.142 3.496 1.00 0.00 N ATOM 859 CA LEU A 95 -2.834 -15.789 2.339 1.00 0.00 C ATOM 860 C LEU A 95 -2.666 -17.304 2.412 1.00 0.00 C ATOM 861 O LEU A 95 -1.636 -17.819 2.847 1.00 0.00 O ATOM 862 CB LEU A 95 -2.213 -15.257 1.046 1.00 0.00 C ATOM 863 CG LEU A 95 -2.185 -13.737 0.891 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.075 -13.317 -0.060 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.532 -13.226 0.399 1.00 0.00 C ATOM 0 H LEU A 95 -1.276 -15.456 3.704 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.899 -15.559 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.190 -15.628 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.761 -15.678 0.203 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.985 -13.296 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.071 -12.231 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.114 -13.650 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.243 -13.769 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.494 -12.142 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.761 -13.676 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.307 -13.494 1.117 1.00 0.00 H new ATOM 877 N PRO A 96 -3.702 -18.035 1.974 1.00 0.00 N ATOM 878 CA PRO A 96 -3.692 -19.501 1.977 1.00 0.00 C ATOM 879 C PRO A 96 -2.724 -20.077 0.949 1.00 0.00 C ATOM 880 O PRO A 96 -2.275 -19.374 0.044 1.00 0.00 O ATOM 881 CB PRO A 96 -5.134 -19.866 1.616 1.00 0.00 C ATOM 882 CG PRO A 96 -5.642 -18.692 0.852 1.00 0.00 C ATOM 883 CD PRO A 96 -4.961 -17.488 1.442 1.00 0.00 C ATOM 0 HA PRO A 96 -3.362 -19.904 2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.174 -20.776 1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.732 -20.046 2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.414 -18.789 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.725 -18.609 0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.780 -16.720 0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.563 -17.030 2.226 1.00 0.00 H new ATOM 891 N ASN A 97 -2.407 -21.359 1.094 1.00 0.00 N ATOM 892 CA ASN A 97 -1.491 -22.029 0.178 1.00 0.00 C ATOM 893 C ASN A 97 -1.875 -21.753 -1.273 1.00 0.00 C ATOM 894 O ASN A 97 -1.021 -21.452 -2.105 1.00 0.00 O ATOM 895 CB ASN A 97 -1.488 -23.536 0.438 1.00 0.00 C ATOM 896 CG ASN A 97 -0.874 -23.890 1.779 1.00 0.00 C ATOM 897 OD1 ASN A 97 -1.509 -23.743 2.823 1.00 0.00 O ATOM 898 ND2 ASN A 97 0.368 -24.359 1.755 1.00 0.00 N ATOM 0 H ASN A 97 -2.771 -21.955 1.837 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.490 -21.635 0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.511 -23.911 0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.935 -24.038 -0.356 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.834 -24.614 2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.856 -24.464 0.866 1.00 0.00 H new ATOM 905 N ALA A 98 -3.167 -21.857 -1.568 1.00 0.00 N ATOM 906 CA ALA A 98 -3.665 -21.617 -2.916 1.00 0.00 C ATOM 907 C ALA A 98 -3.236 -20.244 -3.423 1.00 0.00 C ATOM 908 O ALA A 98 -2.644 -20.124 -4.495 1.00 0.00 O ATOM 909 CB ALA A 98 -5.181 -21.744 -2.950 1.00 0.00 C ATOM 0 H ALA A 98 -3.888 -22.106 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.234 -22.370 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.539 -21.562 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.469 -22.748 -2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.623 -21.013 -2.273 1.00 0.00 H new ATOM 915 N LYS A 99 -3.539 -19.210 -2.645 1.00 0.00 N ATOM 916 CA LYS A 99 -3.185 -17.845 -3.014 1.00 0.00 C ATOM 917 C LYS A 99 -1.677 -17.704 -3.194 1.00 0.00 C ATOM 918 O LYS A 99 -1.204 -17.304 -4.259 1.00 0.00 O ATOM 919 CB LYS A 99 -3.676 -16.863 -1.948 1.00 0.00 C ATOM 920 CG LYS A 99 -5.122 -16.437 -2.133 1.00 0.00 C ATOM 921 CD LYS A 99 -5.253 -15.344 -3.180 1.00 0.00 C ATOM 922 CE LYS A 99 -6.688 -15.202 -3.662 1.00 0.00 C ATOM 923 NZ LYS A 99 -6.938 -13.867 -4.274 1.00 0.00 N ATOM 0 H LYS A 99 -4.029 -19.292 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.670 -17.614 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.564 -17.321 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.041 -15.977 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.721 -17.298 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.522 -16.082 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.913 -14.396 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.605 -15.570 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.905 -15.982 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.369 -15.351 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.927 -13.810 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.756 -13.123 -3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.306 -13.735 -5.089 1.00 0.00 H new ATOM 937 N ILE A 100 -0.927 -18.035 -2.148 1.00 0.00 N ATOM 938 CA ILE A 100 0.527 -17.948 -2.193 1.00 0.00 C ATOM 939 C ILE A 100 1.055 -18.277 -3.585 1.00 0.00 C ATOM 940 O ILE A 100 1.663 -17.434 -4.246 1.00 0.00 O ATOM 941 CB ILE A 100 1.180 -18.897 -1.171 1.00 0.00 C ATOM 942 CG1 ILE A 100 0.829 -18.466 0.255 1.00 0.00 C ATOM 943 CG2 ILE A 100 2.688 -18.929 -1.365 1.00 0.00 C ATOM 944 CD1 ILE A 100 1.283 -19.449 1.312 1.00 0.00 C ATOM 0 H ILE A 100 -1.303 -18.366 -1.259 1.00 0.00 H new ATOM 0 HA ILE A 100 0.789 -16.920 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 100 0.792 -19.903 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.282 -17.495 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.250 -18.335 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.135 -19.604 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.918 -19.279 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.094 -17.927 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.001 -19.079 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.809 -20.415 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.366 -19.562 1.263 1.00 0.00 H new ATOM 956 N LYS A 101 0.818 -19.507 -4.026 1.00 0.00 N ATOM 957 CA LYS A 101 1.266 -19.948 -5.342 1.00 0.00 C ATOM 958 C LYS A 101 0.701 -19.052 -6.438 1.00 0.00 C ATOM 959 O LYS A 101 1.443 -18.341 -7.115 1.00 0.00 O ATOM 960 CB LYS A 101 0.845 -21.399 -5.586 1.00 0.00 C ATOM 961 CG LYS A 101 1.906 -22.414 -5.196 1.00 0.00 C ATOM 962 CD LYS A 101 1.806 -22.787 -3.726 1.00 0.00 C ATOM 963 CE LYS A 101 2.587 -24.056 -3.419 1.00 0.00 C ATOM 964 NZ LYS A 101 4.054 -23.807 -3.375 1.00 0.00 N ATOM 0 H LYS A 101 0.318 -20.217 -3.491 1.00 0.00 H new ATOM 0 HA LYS A 101 2.354 -19.882 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.066 -21.604 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.603 -21.526 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.797 -23.309 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.895 -22.005 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.186 -21.968 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.760 -22.928 -3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.259 -24.462 -2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.369 -24.809 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.551 -24.696 -3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.372 -23.443 -4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.265 -23.107 -2.635 1.00 0.00 H new ATOM 978 N GLU A 102 -0.618 -19.091 -6.607 1.00 0.00 N ATOM 979 CA GLU A 102 -1.281 -18.281 -7.622 1.00 0.00 C ATOM 980 C GLU A 102 -0.699 -16.871 -7.659 1.00 0.00 C ATOM 981 O GLU A 102 -0.728 -16.201 -8.692 1.00 0.00 O ATOM 982 CB GLU A 102 -2.786 -18.216 -7.350 1.00 0.00 C ATOM 983 CG GLU A 102 -3.436 -16.928 -7.828 1.00 0.00 C ATOM 984 CD GLU A 102 -4.891 -17.116 -8.210 1.00 0.00 C ATOM 985 OE1 GLU A 102 -5.566 -17.959 -7.583 1.00 0.00 O ATOM 986 OE2 GLU A 102 -5.355 -16.419 -9.136 1.00 0.00 O ATOM 0 H GLU A 102 -1.247 -19.674 -6.055 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.113 -18.750 -8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.272 -19.061 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.958 -18.324 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.365 -16.176 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.885 -16.544 -8.687 1.00 0.00 H new ATOM 993 N LEU A 103 -0.171 -16.425 -6.524 1.00 0.00 N ATOM 994 CA LEU A 103 0.418 -15.094 -6.425 1.00 0.00 C ATOM 995 C LEU A 103 1.939 -15.164 -6.515 1.00 0.00 C ATOM 996 O LEU A 103 2.647 -14.378 -5.884 1.00 0.00 O ATOM 997 CB LEU A 103 0.004 -14.428 -5.112 1.00 0.00 C ATOM 998 CG LEU A 103 -1.500 -14.293 -4.874 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.773 -13.733 -3.486 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.132 -13.410 -5.940 1.00 0.00 C ATOM 0 H LEU A 103 -0.139 -16.966 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 103 0.050 -14.498 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.432 -14.998 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.448 -13.433 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.948 -15.284 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.849 -13.644 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.355 -14.403 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.311 -12.750 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.203 -13.325 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.679 -12.419 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.968 -13.852 -6.923 1.00 0.00 H new ATOM 1012 N LYS A 104 2.437 -16.110 -7.305 1.00 0.00 N ATOM 1013 CA LYS A 104 3.874 -16.281 -7.481 1.00 0.00 C ATOM 1014 C LYS A 104 4.488 -15.062 -8.162 1.00 0.00 C ATOM 1015 O LYS A 104 3.854 -14.421 -8.999 1.00 0.00 O ATOM 1016 CB LYS A 104 4.161 -17.538 -8.307 1.00 0.00 C ATOM 1017 CG LYS A 104 3.414 -17.581 -9.629 1.00 0.00 C ATOM 1018 CD LYS A 104 4.230 -16.959 -10.750 1.00 0.00 C ATOM 1019 CE LYS A 104 5.230 -17.950 -11.327 1.00 0.00 C ATOM 1020 NZ LYS A 104 4.566 -18.976 -12.177 1.00 0.00 N ATOM 0 H LYS A 104 1.866 -16.770 -7.833 1.00 0.00 H new ATOM 0 HA LYS A 104 4.325 -16.390 -6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.232 -17.598 -8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.895 -18.417 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.177 -18.615 -9.881 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.466 -17.051 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.562 -16.613 -11.539 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.759 -16.084 -10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.973 -17.414 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.764 -18.442 -10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.283 -19.481 -12.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.059 -19.653 -11.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.891 -18.512 -12.818 1.00 0.00 H new ATOM 1034 N GLY A 105 5.728 -14.748 -7.798 1.00 0.00 N ATOM 1035 CA GLY A 105 6.407 -13.607 -8.385 1.00 0.00 C ATOM 1036 C GLY A 105 5.979 -12.294 -7.761 1.00 0.00 C ATOM 1037 O GLY A 105 6.818 -11.489 -7.357 1.00 0.00 O ATOM 0 H GLY A 105 6.274 -15.263 -7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.484 -13.728 -8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.205 -13.580 -9.456 1.00 0.00 H new ATOM 1041 N GLU A 106 4.670 -12.076 -7.684 1.00 0.00 N ATOM 1042 CA GLU A 106 4.133 -10.849 -7.107 1.00 0.00 C ATOM 1043 C GLU A 106 4.809 -10.532 -5.776 1.00 0.00 C ATOM 1044 O GLU A 106 5.458 -11.390 -5.176 1.00 0.00 O ATOM 1045 CB GLU A 106 2.621 -10.973 -6.906 1.00 0.00 C ATOM 1046 CG GLU A 106 1.821 -10.802 -8.187 1.00 0.00 C ATOM 1047 CD GLU A 106 1.882 -9.387 -8.728 1.00 0.00 C ATOM 1048 OE1 GLU A 106 2.856 -9.066 -9.440 1.00 0.00 O ATOM 1049 OE2 GLU A 106 0.956 -8.600 -8.440 1.00 0.00 O ATOM 0 H GLU A 106 3.962 -12.732 -8.014 1.00 0.00 H new ATOM 0 HA GLU A 106 4.335 -10.033 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.399 -11.950 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.297 -10.225 -6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.198 -11.492 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.781 -11.071 -8.000 1.00 0.00 H new ATOM 1056 N LYS A 107 4.654 -9.294 -5.321 1.00 0.00 N ATOM 1057 CA LYS A 107 5.248 -8.861 -4.061 1.00 0.00 C ATOM 1058 C LYS A 107 4.169 -8.540 -3.032 1.00 0.00 C ATOM 1059 O LYS A 107 3.506 -7.506 -3.115 1.00 0.00 O ATOM 1060 CB LYS A 107 6.134 -7.634 -4.287 1.00 0.00 C ATOM 1061 CG LYS A 107 7.263 -7.872 -5.274 1.00 0.00 C ATOM 1062 CD LYS A 107 8.417 -6.910 -5.045 1.00 0.00 C ATOM 1063 CE LYS A 107 8.226 -5.616 -5.821 1.00 0.00 C ATOM 1064 NZ LYS A 107 7.442 -4.615 -5.047 1.00 0.00 N ATOM 0 H LYS A 107 4.122 -8.572 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 107 5.859 -9.678 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.516 -6.811 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.557 -7.321 -3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.619 -8.898 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.888 -7.757 -6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.502 -6.688 -3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.352 -7.382 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.200 -5.197 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.716 -5.828 -6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.546 -3.678 -5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.438 -4.887 -5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.793 -4.580 -4.069 1.00 0.00 H new ATOM 1078 N VAL A 108 3.998 -9.432 -2.062 1.00 0.00 N ATOM 1079 CA VAL A 108 3.001 -9.242 -1.015 1.00 0.00 C ATOM 1080 C VAL A 108 3.576 -8.453 0.155 1.00 0.00 C ATOM 1081 O VAL A 108 4.450 -8.939 0.874 1.00 0.00 O ATOM 1082 CB VAL A 108 2.466 -10.591 -0.498 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.446 -10.372 0.609 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.863 -11.397 -1.638 1.00 0.00 C ATOM 0 H VAL A 108 4.537 -10.294 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 108 2.179 -8.680 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 108 3.300 -11.158 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.079 -11.336 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.915 -9.838 1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.612 -9.785 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.490 -12.347 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.041 -10.838 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.626 -11.585 -2.394 1.00 0.00 H new ATOM 1094 N ILE A 109 3.081 -7.235 0.341 1.00 0.00 N ATOM 1095 CA ILE A 109 3.545 -6.379 1.426 1.00 0.00 C ATOM 1096 C ILE A 109 2.472 -6.219 2.497 1.00 0.00 C ATOM 1097 O ILE A 109 1.293 -6.040 2.188 1.00 0.00 O ATOM 1098 CB ILE A 109 3.951 -4.986 0.910 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.868 -5.116 -0.308 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.634 -4.191 2.012 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.121 -5.920 -0.036 1.00 0.00 C ATOM 0 H ILE A 109 2.358 -6.818 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 109 4.419 -6.865 1.860 1.00 0.00 H new ATOM 0 HB ILE A 109 3.051 -4.451 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.314 -5.585 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.151 -4.120 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.915 -3.209 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.950 -4.073 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.527 -4.721 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.724 -5.971 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.696 -5.440 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.846 -6.928 0.275 1.00 0.00 H new ATOM 1113 N ARG A 110 2.888 -6.283 3.758 1.00 0.00 N ATOM 1114 CA ARG A 110 1.962 -6.145 4.876 1.00 0.00 C ATOM 1115 C ARG A 110 1.336 -4.754 4.894 1.00 0.00 C ATOM 1116 O ARG A 110 1.903 -3.784 4.390 1.00 0.00 O ATOM 1117 CB ARG A 110 2.684 -6.408 6.199 1.00 0.00 C ATOM 1118 CG ARG A 110 3.143 -7.847 6.366 1.00 0.00 C ATOM 1119 CD ARG A 110 3.862 -8.052 7.690 1.00 0.00 C ATOM 1120 NE ARG A 110 4.520 -9.354 7.760 1.00 0.00 N ATOM 1121 CZ ARG A 110 4.880 -9.936 8.899 1.00 0.00 C ATOM 1122 NH1 ARG A 110 4.646 -9.334 10.057 1.00 0.00 N ATOM 1123 NH2 ARG A 110 5.473 -11.122 8.881 1.00 0.00 N ATOM 0 H ARG A 110 3.860 -6.429 4.031 1.00 0.00 H new ATOM 0 HA ARG A 110 1.168 -6.881 4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.549 -5.749 6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.020 -6.149 7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.282 -8.513 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.807 -8.116 5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.603 -7.264 7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.147 -7.963 8.508 1.00 0.00 H new ATOM 0 HE ARG A 110 4.714 -9.844 6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.189 -8.422 10.075 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.923 -9.783 10.930 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.653 -11.589 7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.749 -11.568 9.756 1.00 0.00 H new ATOM 1137 N PRO A 111 0.137 -4.652 5.488 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.592 -3.384 5.586 1.00 0.00 C ATOM 1139 C PRO A 111 0.075 -2.404 6.544 1.00 0.00 C ATOM 1140 O PRO A 111 -0.185 -1.202 6.498 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.964 -3.804 6.120 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.712 -5.079 6.850 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.598 -5.766 6.110 1.00 0.00 C ATOM 0 HA PRO A 111 -0.633 -2.863 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.381 -3.045 6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.678 -3.947 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.432 -4.887 7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.608 -5.700 6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.038 -6.340 6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.981 -6.461 5.363 1.00 0.00 H new ATOM 1151 N GLU A 112 0.937 -2.925 7.412 1.00 0.00 N ATOM 1152 CA GLU A 112 1.641 -2.094 8.381 1.00 0.00 C ATOM 1153 C GLU A 112 2.680 -1.215 7.691 1.00 0.00 C ATOM 1154 O GLU A 112 2.869 -0.055 8.058 1.00 0.00 O ATOM 1155 CB GLU A 112 2.318 -2.968 9.439 1.00 0.00 C ATOM 1156 CG GLU A 112 1.361 -3.500 10.493 1.00 0.00 C ATOM 1157 CD GLU A 112 0.993 -2.455 11.527 1.00 0.00 C ATOM 1158 OE1 GLU A 112 0.902 -1.264 11.160 1.00 0.00 O ATOM 1159 OE2 GLU A 112 0.796 -2.826 12.703 1.00 0.00 O ATOM 0 H GLU A 112 1.164 -3.918 7.464 1.00 0.00 H new ATOM 0 HA GLU A 112 0.909 -1.448 8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.806 -3.809 8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.100 -2.389 9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.454 -3.860 10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.816 -4.356 10.992 1.00 0.00 H new ATOM 1166 N TRP A 113 3.351 -1.776 6.692 1.00 0.00 N ATOM 1167 CA TRP A 113 4.371 -1.043 5.951 1.00 0.00 C ATOM 1168 C TRP A 113 3.915 0.382 5.660 1.00 0.00 C ATOM 1169 O TRP A 113 4.692 1.329 5.786 1.00 0.00 O ATOM 1170 CB TRP A 113 4.697 -1.765 4.642 1.00 0.00 C ATOM 1171 CG TRP A 113 5.489 -0.928 3.683 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.703 -0.348 3.912 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.120 -0.577 2.345 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.112 0.343 2.797 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.159 0.217 1.821 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.015 -0.858 1.537 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.122 0.733 0.528 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 3.979 -0.346 0.254 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.028 0.442 -0.240 1.00 0.00 C ATOM 0 H TRP A 113 3.208 -2.735 6.376 1.00 0.00 H new ATOM 0 HA TRP A 113 5.269 -0.998 6.567 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.255 -2.674 4.866 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.767 -2.072 4.163 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.260 -0.421 4.834 1.00 0.00 H new ATOM 0 HE1 TRP A 113 7.984 0.865 2.710 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.203 -1.465 1.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 6.928 1.341 0.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.129 -0.556 -0.378 1.00 0.00 H new ATOM 0 HH2 TRP A 113 4.971 0.827 -1.247 1.00 0.00 H new ATOM 1190 N ILE A 114 2.653 0.528 5.272 1.00 0.00 N ATOM 1191 CA ILE A 114 2.095 1.839 4.965 1.00 0.00 C ATOM 1192 C ILE A 114 1.970 2.691 6.223 1.00 0.00 C ATOM 1193 O ILE A 114 2.501 3.799 6.291 1.00 0.00 O ATOM 1194 CB ILE A 114 0.711 1.720 4.299 1.00 0.00 C ATOM 1195 CG1 ILE A 114 0.820 0.954 2.979 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.113 3.100 4.070 1.00 0.00 C ATOM 1197 CD1 ILE A 114 -0.520 0.602 2.372 1.00 0.00 C ATOM 0 H ILE A 114 1.997 -0.246 5.163 1.00 0.00 H new ATOM 0 HA ILE A 114 2.783 2.320 4.270 1.00 0.00 H new ATOM 0 HB ILE A 114 0.050 1.165 4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.386 1.553 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.386 0.038 3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.865 2.999 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.004 3.613 5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.771 3.678 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.366 0.060 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.081 -0.024 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.081 1.515 2.173 1.00 0.00 H new ATOM 1209 N VAL A 115 1.264 2.165 7.220 1.00 0.00 N ATOM 1210 CA VAL A 115 1.071 2.876 8.478 1.00 0.00 C ATOM 1211 C VAL A 115 2.374 3.505 8.959 1.00 0.00 C ATOM 1212 O VAL A 115 2.445 4.713 9.183 1.00 0.00 O ATOM 1213 CB VAL A 115 0.531 1.939 9.575 1.00 0.00 C ATOM 1214 CG1 VAL A 115 0.386 2.686 10.892 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.797 1.331 9.149 1.00 0.00 C ATOM 0 H VAL A 115 0.817 1.249 7.180 1.00 0.00 H new ATOM 0 HA VAL A 115 0.339 3.662 8.289 1.00 0.00 H new ATOM 0 HB VAL A 115 1.246 1.129 9.721 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.003 2.008 11.655 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.358 3.069 11.202 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.308 3.517 10.764 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.164 0.672 9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.522 2.126 8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.658 0.759 8.232 1.00 0.00 H new ATOM 1225 N GLU A 116 3.402 2.678 9.115 1.00 0.00 N ATOM 1226 CA GLU A 116 4.703 3.154 9.571 1.00 0.00 C ATOM 1227 C GLU A 116 5.205 4.292 8.687 1.00 0.00 C ATOM 1228 O GLU A 116 5.606 5.346 9.181 1.00 0.00 O ATOM 1229 CB GLU A 116 5.718 2.009 9.573 1.00 0.00 C ATOM 1230 CG GLU A 116 5.508 1.012 10.700 1.00 0.00 C ATOM 1231 CD GLU A 116 6.178 1.441 11.991 1.00 0.00 C ATOM 1232 OE1 GLU A 116 7.363 1.831 11.943 1.00 0.00 O ATOM 1233 OE2 GLU A 116 5.517 1.387 13.049 1.00 0.00 O ATOM 0 H GLU A 116 3.360 1.675 8.933 1.00 0.00 H new ATOM 0 HA GLU A 116 4.589 3.530 10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.663 1.484 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.722 2.425 9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.439 0.886 10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.899 0.040 10.398 1.00 0.00 H new ATOM 1240 N SER A 117 5.180 4.071 7.376 1.00 0.00 N ATOM 1241 CA SER A 117 5.637 5.075 6.423 1.00 0.00 C ATOM 1242 C SER A 117 4.935 6.409 6.661 1.00 0.00 C ATOM 1243 O SER A 117 5.563 7.468 6.627 1.00 0.00 O ATOM 1244 CB SER A 117 5.384 4.601 4.990 1.00 0.00 C ATOM 1245 OG SER A 117 5.988 3.341 4.756 1.00 0.00 O ATOM 0 H SER A 117 4.848 3.206 6.950 1.00 0.00 H new ATOM 0 HA SER A 117 6.708 5.217 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.311 4.533 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.779 5.334 4.286 1.00 0.00 H new ATOM 0 HG SER A 117 5.327 2.631 4.892 1.00 0.00 H new ATOM 1251 N ILE A 118 3.630 6.349 6.901 1.00 0.00 N ATOM 1252 CA ILE A 118 2.843 7.551 7.146 1.00 0.00 C ATOM 1253 C ILE A 118 3.296 8.255 8.420 1.00 0.00 C ATOM 1254 O ILE A 118 3.686 9.422 8.393 1.00 0.00 O ATOM 1255 CB ILE A 118 1.341 7.227 7.258 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.841 6.571 5.969 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.548 8.490 7.559 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.406 5.736 6.161 1.00 0.00 C ATOM 0 H ILE A 118 3.095 5.481 6.931 1.00 0.00 H new ATOM 0 HA ILE A 118 3.002 8.211 6.293 1.00 0.00 H new ATOM 0 HB ILE A 118 1.196 6.526 8.080 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.639 7.347 5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.631 5.941 5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.511 8.245 7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.890 8.919 8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.696 9.213 6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.704 5.302 5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.203 4.938 6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.211 6.366 6.540 1.00 0.00 H new ATOM 1270 N LYS A 119 3.244 7.537 9.537 1.00 0.00 N ATOM 1271 CA LYS A 119 3.652 8.090 10.823 1.00 0.00 C ATOM 1272 C LYS A 119 5.050 8.694 10.736 1.00 0.00 C ATOM 1273 O LYS A 119 5.276 9.824 11.167 1.00 0.00 O ATOM 1274 CB LYS A 119 3.620 7.005 11.901 1.00 0.00 C ATOM 1275 CG LYS A 119 2.257 6.833 12.550 1.00 0.00 C ATOM 1276 CD LYS A 119 1.411 5.813 11.806 1.00 0.00 C ATOM 1277 CE LYS A 119 0.599 6.464 10.697 1.00 0.00 C ATOM 1278 NZ LYS A 119 -0.735 6.917 11.179 1.00 0.00 N ATOM 0 H LYS A 119 2.923 6.570 9.577 1.00 0.00 H new ATOM 0 HA LYS A 119 2.950 8.880 11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.925 6.056 11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.352 7.248 12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.383 6.517 13.585 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.739 7.792 12.570 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.056 5.044 11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 119 0.740 5.316 12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.149 7.316 10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.468 5.756 9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.257 7.355 10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.270 6.101 11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.611 7.612 11.942 1.00 0.00 H new ATOM 1292 N ALA A 120 5.985 7.934 10.175 1.00 0.00 N ATOM 1293 CA ALA A 120 7.359 8.396 10.029 1.00 0.00 C ATOM 1294 C ALA A 120 7.438 9.598 9.094 1.00 0.00 C ATOM 1295 O ALA A 120 8.222 10.519 9.317 1.00 0.00 O ATOM 1296 CB ALA A 120 8.243 7.268 9.517 1.00 0.00 C ATOM 0 H ALA A 120 5.815 6.995 9.814 1.00 0.00 H new ATOM 0 HA ALA A 120 7.717 8.708 11.010 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.267 7.627 9.412 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.220 6.438 10.223 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.876 6.930 8.548 1.00 0.00 H new ATOM 1302 N GLY A 121 6.620 9.582 8.046 1.00 0.00 N ATOM 1303 CA GLY A 121 6.613 10.676 7.093 1.00 0.00 C ATOM 1304 C GLY A 121 7.564 10.443 5.936 1.00 0.00 C ATOM 1305 O GLY A 121 8.126 11.390 5.385 1.00 0.00 O ATOM 0 H GLY A 121 5.962 8.830 7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.603 10.811 6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.886 11.600 7.603 1.00 0.00 H new ATOM 1309 N ARG A 122 7.747 9.179 5.568 1.00 0.00 N ATOM 1310 CA ARG A 122 8.639 8.824 4.471 1.00 0.00 C ATOM 1311 C ARG A 122 8.519 7.342 4.130 1.00 0.00 C ATOM 1312 O ARG A 122 8.311 6.506 5.011 1.00 0.00 O ATOM 1313 CB ARG A 122 10.087 9.159 4.834 1.00 0.00 C ATOM 1314 CG ARG A 122 10.581 8.448 6.084 1.00 0.00 C ATOM 1315 CD ARG A 122 12.100 8.408 6.138 1.00 0.00 C ATOM 1316 NE ARG A 122 12.662 9.654 6.654 1.00 0.00 N ATOM 1317 CZ ARG A 122 13.963 9.852 6.839 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.831 8.892 6.552 1.00 0.00 N ATOM 1319 NH2 ARG A 122 14.397 11.013 7.313 1.00 0.00 N ATOM 0 H ARG A 122 7.289 8.384 6.014 1.00 0.00 H new ATOM 0 HA ARG A 122 8.347 9.405 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.733 8.895 3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.177 10.236 4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 122 10.198 8.956 6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.188 7.431 6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.419 7.578 6.769 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.493 8.219 5.139 1.00 0.00 H new ATOM 0 HE ARG A 122 12.021 10.413 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.501 7.998 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.829 9.047 6.695 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.732 11.754 7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.396 11.165 7.455 1.00 0.00 H new ATOM 1333 N LEU A 123 8.650 7.023 2.847 1.00 0.00 N ATOM 1334 CA LEU A 123 8.555 5.641 2.389 1.00 0.00 C ATOM 1335 C LEU A 123 9.687 4.797 2.967 1.00 0.00 C ATOM 1336 O LEU A 123 10.863 5.131 2.819 1.00 0.00 O ATOM 1337 CB LEU A 123 8.593 5.586 0.861 1.00 0.00 C ATOM 1338 CG LEU A 123 8.104 4.285 0.223 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.634 4.055 0.541 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.329 4.311 -1.281 1.00 0.00 C ATOM 0 H LEU A 123 8.822 7.702 2.106 1.00 0.00 H new ATOM 0 HA LEU A 123 7.607 5.233 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.990 6.407 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.618 5.763 0.537 1.00 0.00 H new ATOM 0 HG LEU A 123 8.679 3.459 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.303 3.125 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.501 3.991 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.043 4.884 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.975 3.377 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.781 5.146 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.393 4.428 -1.488 1.00 0.00 H new ATOM 1352 N LEU A 124 9.323 3.701 3.624 1.00 0.00 N ATOM 1353 CA LEU A 124 10.308 2.807 4.223 1.00 0.00 C ATOM 1354 C LEU A 124 10.539 1.583 3.343 1.00 0.00 C ATOM 1355 O LEU A 124 9.842 1.381 2.348 1.00 0.00 O ATOM 1356 CB LEU A 124 9.848 2.369 5.615 1.00 0.00 C ATOM 1357 CG LEU A 124 9.466 3.492 6.580 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.749 2.928 7.798 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.699 4.277 7.001 1.00 0.00 C ATOM 0 H LEU A 124 8.354 3.410 3.755 1.00 0.00 H new ATOM 0 HA LEU A 124 11.249 3.350 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.989 1.708 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.645 1.781 6.071 1.00 0.00 H new ATOM 0 HG LEU A 124 8.786 4.171 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.485 3.741 8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.843 2.411 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.405 2.226 8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.407 5.072 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.404 3.609 7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.171 4.713 6.121 1.00 0.00 H new ATOM 1371 N SER A 125 11.519 0.767 3.717 1.00 0.00 N ATOM 1372 CA SER A 125 11.843 -0.436 2.960 1.00 0.00 C ATOM 1373 C SER A 125 10.725 -1.468 3.077 1.00 0.00 C ATOM 1374 O SER A 125 10.139 -1.647 4.145 1.00 0.00 O ATOM 1375 CB SER A 125 13.160 -1.037 3.456 1.00 0.00 C ATOM 1376 OG SER A 125 14.198 -0.071 3.442 1.00 0.00 O ATOM 0 H SER A 125 12.103 0.917 4.540 1.00 0.00 H new ATOM 0 HA SER A 125 11.950 -0.158 1.911 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.030 -1.421 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.437 -1.883 2.827 1.00 0.00 H new ATOM 0 HG SER A 125 15.029 -0.479 3.765 1.00 0.00 H new ATOM 1382 N TYR A 126 10.435 -2.144 1.971 1.00 0.00 N ATOM 1383 CA TYR A 126 9.386 -3.156 1.947 1.00 0.00 C ATOM 1384 C TYR A 126 9.983 -4.560 1.970 1.00 0.00 C ATOM 1385 O TYR A 126 9.331 -5.518 2.386 1.00 0.00 O ATOM 1386 CB TYR A 126 8.510 -2.983 0.705 1.00 0.00 C ATOM 1387 CG TYR A 126 9.285 -3.009 -0.592 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.765 -4.205 -1.114 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.540 -1.839 -1.297 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.475 -4.234 -2.298 1.00 0.00 C ATOM 1391 CE2 TYR A 126 10.248 -1.859 -2.483 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.713 -3.058 -2.979 1.00 0.00 C ATOM 1393 OH TYR A 126 11.420 -3.082 -4.160 1.00 0.00 O ATOM 0 H TYR A 126 10.912 -2.009 1.079 1.00 0.00 H new ATOM 0 HA TYR A 126 8.772 -3.027 2.838 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.761 -3.774 0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 126 7.973 -2.037 0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.579 -5.128 -0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 126 9.178 -0.897 -0.911 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.842 -5.172 -2.689 1.00 0.00 H new ATOM 0 HE2 TYR A 126 10.436 -0.940 -3.019 1.00 0.00 H new ATOM 0 HH TYR A 126 11.499 -2.171 -4.513 1.00 0.00 H new ATOM 1403 N ILE A 127 11.228 -4.674 1.519 1.00 0.00 N ATOM 1404 CA ILE A 127 11.915 -5.959 1.489 1.00 0.00 C ATOM 1405 C ILE A 127 11.571 -6.795 2.718 1.00 0.00 C ATOM 1406 O ILE A 127 11.069 -7.914 2.617 1.00 0.00 O ATOM 1407 CB ILE A 127 13.443 -5.780 1.415 1.00 0.00 C ATOM 1408 CG1 ILE A 127 13.899 -5.706 -0.043 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.145 -6.918 2.139 1.00 0.00 C ATOM 1410 CD1 ILE A 127 13.776 -7.019 -0.783 1.00 0.00 C ATOM 0 H ILE A 127 11.781 -3.892 1.169 1.00 0.00 H new ATOM 0 HA ILE A 127 11.575 -6.477 0.593 1.00 0.00 H new ATOM 0 HB ILE A 127 13.709 -4.844 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.310 -4.950 -0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 127 14.938 -5.377 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.224 -6.777 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.839 -6.927 3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.876 -7.866 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.117 -6.891 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.388 -7.774 -0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.734 -7.340 -0.784 1.00 0.00 H new ATOM 1422 N PRO A 128 11.847 -6.239 3.907 1.00 0.00 N ATOM 1423 CA PRO A 128 11.573 -6.914 5.179 1.00 0.00 C ATOM 1424 C PRO A 128 10.079 -7.026 5.466 1.00 0.00 C ATOM 1425 O PRO A 128 9.654 -7.839 6.287 1.00 0.00 O ATOM 1426 CB PRO A 128 12.251 -6.012 6.213 1.00 0.00 C ATOM 1427 CG PRO A 128 12.284 -4.665 5.577 1.00 0.00 C ATOM 1428 CD PRO A 128 12.446 -4.908 4.102 1.00 0.00 C ATOM 0 HA PRO A 128 11.940 -7.940 5.183 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.693 -5.994 7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 128 13.256 -6.364 6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.367 -4.113 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 128 13.109 -4.069 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.936 -4.147 3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.495 -4.892 3.805 1.00 0.00 H new ATOM 1436 N TYR A 129 9.288 -6.204 4.786 1.00 0.00 N ATOM 1437 CA TYR A 129 7.842 -6.209 4.970 1.00 0.00 C ATOM 1438 C TYR A 129 7.172 -7.177 3.999 1.00 0.00 C ATOM 1439 O TYR A 129 6.001 -7.520 4.157 1.00 0.00 O ATOM 1440 CB TYR A 129 7.277 -4.801 4.775 1.00 0.00 C ATOM 1441 CG TYR A 129 7.471 -3.900 5.973 1.00 0.00 C ATOM 1442 CD1 TYR A 129 8.685 -3.264 6.200 1.00 0.00 C ATOM 1443 CD2 TYR A 129 6.440 -3.684 6.880 1.00 0.00 C ATOM 1444 CE1 TYR A 129 8.868 -2.440 7.294 1.00 0.00 C ATOM 1445 CE2 TYR A 129 6.613 -2.861 7.975 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.828 -2.241 8.178 1.00 0.00 C ATOM 1447 OH TYR A 129 8.005 -1.421 9.269 1.00 0.00 O ATOM 0 H TYR A 129 9.624 -5.526 4.102 1.00 0.00 H new ATOM 0 HA TYR A 129 7.632 -6.540 5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.753 -4.345 3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.212 -4.873 4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.501 -3.416 5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.487 -4.168 6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 129 9.819 -1.955 7.456 1.00 0.00 H new ATOM 0 HE2 TYR A 129 5.801 -2.704 8.669 1.00 0.00 H new ATOM 0 HH TYR A 129 8.660 -0.725 9.052 1.00 0.00 H new ATOM 1457 N GLN A 130 7.925 -7.612 2.994 1.00 0.00 N ATOM 1458 CA GLN A 130 7.406 -8.540 1.997 1.00 0.00 C ATOM 1459 C GLN A 130 6.920 -9.828 2.653 1.00 0.00 C ATOM 1460 O GLN A 130 7.351 -10.178 3.752 1.00 0.00 O ATOM 1461 CB GLN A 130 8.481 -8.857 0.956 1.00 0.00 C ATOM 1462 CG GLN A 130 8.472 -7.912 -0.235 1.00 0.00 C ATOM 1463 CD GLN A 130 9.754 -7.980 -1.043 1.00 0.00 C ATOM 1464 OE1 GLN A 130 10.423 -9.126 -0.997 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 10.138 -7.013 -1.701 1.00 0.00 N flip ATOM 0 H GLN A 130 8.896 -7.337 2.849 1.00 0.00 H new ATOM 0 HA GLN A 130 6.559 -8.065 1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.460 -8.817 1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 130 8.341 -9.878 0.600 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.627 -8.154 -0.880 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.322 -6.891 0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 130 9.592 -6.151 -1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 130 11.002 -7.073 -2.240 1.00 0.00 H new ATOM 1474 N LEU A 131 6.021 -10.531 1.972 1.00 0.00 N ATOM 1475 CA LEU A 131 5.476 -11.781 2.489 1.00 0.00 C ATOM 1476 C LEU A 131 5.677 -12.916 1.490 1.00 0.00 C ATOM 1477 O LEU A 131 5.839 -12.682 0.292 1.00 0.00 O ATOM 1478 CB LEU A 131 3.988 -11.620 2.803 1.00 0.00 C ATOM 1479 CG LEU A 131 3.652 -11.015 4.166 1.00 0.00 C ATOM 1480 CD1 LEU A 131 2.207 -10.541 4.198 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.908 -12.024 5.276 1.00 0.00 C ATOM 0 H LEU A 131 5.654 -10.256 1.061 1.00 0.00 H new ATOM 0 HA LEU A 131 6.009 -12.030 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.539 -10.996 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.515 -12.600 2.736 1.00 0.00 H new ATOM 0 HG LEU A 131 4.300 -10.154 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.986 -10.113 5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.055 -9.784 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.543 -11.385 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.663 -11.576 6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.286 -12.905 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.958 -12.315 5.268 1.00 0.00 H new ATOM 1493 N TYR A 132 5.662 -14.147 1.990 1.00 0.00 N ATOM 1494 CA TYR A 132 5.842 -15.319 1.142 1.00 0.00 C ATOM 1495 C TYR A 132 6.819 -15.025 0.007 1.00 0.00 C ATOM 1496 O TYR A 132 6.539 -15.305 -1.159 1.00 0.00 O ATOM 1497 CB TYR A 132 4.498 -15.771 0.568 1.00 0.00 C ATOM 1498 CG TYR A 132 3.422 -15.949 1.615 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.414 -17.060 2.449 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.412 -15.007 1.769 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.432 -17.228 3.406 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.428 -15.165 2.725 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.442 -16.277 3.541 1.00 0.00 C ATOM 1504 OH TYR A 132 0.462 -16.440 4.493 1.00 0.00 O ATOM 0 H TYR A 132 5.527 -14.359 2.979 1.00 0.00 H new ATOM 0 HA TYR A 132 6.255 -16.120 1.755 1.00 0.00 H new ATOM 0 HB2 TYR A 132 4.161 -15.039 -0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.637 -16.713 0.038 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.189 -17.805 2.347 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.396 -14.136 1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.439 -18.099 4.045 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.652 -14.422 2.833 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.241 -17.026 4.142 1.00 0.00 H new ATOM 1514 N THR A 133 7.970 -14.460 0.358 1.00 0.00 N ATOM 1515 CA THR A 133 8.990 -14.127 -0.629 1.00 0.00 C ATOM 1516 C THR A 133 9.225 -15.287 -1.590 1.00 0.00 C ATOM 1517 O THR A 133 9.573 -15.082 -2.752 1.00 0.00 O ATOM 1518 CB THR A 133 10.324 -13.756 0.046 1.00 0.00 C ATOM 1519 OG1 THR A 133 10.762 -14.828 0.888 1.00 0.00 O ATOM 1520 CG2 THR A 133 10.179 -12.484 0.868 1.00 0.00 C ATOM 0 H THR A 133 8.219 -14.223 1.318 1.00 0.00 H new ATOM 0 HA THR A 133 8.621 -13.266 -1.187 1.00 0.00 H new ATOM 0 HB THR A 133 11.065 -13.582 -0.734 1.00 0.00 H new ATOM 0 HG1 THR A 133 11.611 -14.585 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 133 11.134 -12.242 1.335 1.00 0.00 H new ATOM 0 HG22 THR A 133 9.875 -11.664 0.218 1.00 0.00 H new ATOM 0 HG23 THR A 133 9.425 -12.634 1.640 1.00 0.00 H new TER 1528 THR A 133