USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 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 92 ASN : amide:sc= 0.25 K(o=0.9,f=-0.55) USER MOD Set 1.2: A 93 GLN : amide:sc= 0.654 K(o=0.9,f=-0.55) USER MOD Single : A 30 SER OG : rot 120:sc= 0.554 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -77:sc= 0.742 USER MOD Single : A 44 GLN : amide:sc= 0.533 K(o=0.53,f=-0.016) USER MOD Single : A 46 SER OG : rot 72:sc= 1.16 USER MOD Single : A 49 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= -3.05! (180deg=-3.05!) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= 1.62 (180deg=1.09) USER MOD Single : A 62 LYS NZ :NH3+ 154:sc= 0.519 (180deg=0.119) USER MOD Single : A 65 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.43!) USER MOD Single : A 77 SER OG : rot -93:sc= 1.8 USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= 1.56 (180deg=1.41) USER MOD Single : A 86 HIS : no HE2:sc= 0.681 K(o=0.68,f=-3.6!) USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= 0.987 (180deg=0.768) USER MOD Single : A 89 SER OG : rot 40:sc= 0.137 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -9:sc= 0.874 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 6.261 10.244 4.032 1.00 0.00 N ATOM 36 CA SER A 30 5.820 10.269 2.621 1.00 0.00 C ATOM 37 C SER A 30 4.429 10.891 2.398 1.00 0.00 C ATOM 38 O SER A 30 4.152 11.386 1.311 1.00 0.00 O ATOM 39 CB SER A 30 5.784 8.834 2.077 1.00 0.00 C ATOM 40 OG SER A 30 6.937 8.093 2.457 1.00 0.00 O ATOM 0 HA SER A 30 6.541 10.898 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.891 8.329 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.711 8.860 0.990 1.00 0.00 H new ATOM 0 HG SER A 30 6.666 7.316 2.989 1.00 0.00 H new ATOM 46 N ASN A 31 3.538 10.835 3.403 1.00 0.00 N ATOM 47 CA ASN A 31 2.100 11.184 3.367 1.00 0.00 C ATOM 48 C ASN A 31 1.265 10.463 2.279 1.00 0.00 C ATOM 49 O ASN A 31 0.103 10.816 2.078 1.00 0.00 O ATOM 50 CB ASN A 31 1.887 12.709 3.253 1.00 0.00 C ATOM 51 CG ASN A 31 2.931 13.565 3.937 1.00 0.00 C ATOM 52 OD1 ASN A 31 2.998 13.671 5.159 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.771 14.208 3.164 1.00 0.00 N ATOM 0 H ASN A 31 3.821 10.522 4.332 1.00 0.00 H new ATOM 0 HA ASN A 31 1.725 10.819 4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.858 12.976 2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.911 12.954 3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.489 14.804 3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.707 14.113 2.150 1.00 0.00 H new ATOM 60 N THR A 32 1.821 9.473 1.561 1.00 0.00 N ATOM 61 CA THR A 32 1.241 8.993 0.289 1.00 0.00 C ATOM 62 C THR A 32 1.422 7.506 -0.049 1.00 0.00 C ATOM 63 O THR A 32 1.146 7.170 -1.201 1.00 0.00 O ATOM 64 CB THR A 32 1.872 9.808 -0.863 1.00 0.00 C ATOM 65 OG1 THR A 32 3.278 9.668 -0.850 1.00 0.00 O ATOM 66 CG2 THR A 32 1.563 11.306 -0.847 1.00 0.00 C ATOM 0 H THR A 32 2.674 8.986 1.838 1.00 0.00 H new ATOM 0 HA THR A 32 0.167 9.129 0.412 1.00 0.00 H new ATOM 0 HB THR A 32 1.419 9.393 -1.763 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.656 10.226 -0.138 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.051 11.787 -1.695 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.486 11.456 -0.915 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.932 11.744 0.080 1.00 0.00 H new ATOM 74 N ARG A 33 1.843 6.589 0.837 1.00 0.00 N ATOM 75 CA ARG A 33 2.308 5.243 0.410 1.00 0.00 C ATOM 76 C ARG A 33 1.759 4.005 1.103 1.00 0.00 C ATOM 77 O ARG A 33 1.864 3.785 2.307 1.00 0.00 O ATOM 78 CB ARG A 33 3.833 5.135 0.447 1.00 0.00 C ATOM 79 CG ARG A 33 4.509 5.736 -0.756 1.00 0.00 C ATOM 80 CD ARG A 33 6.036 5.811 -0.700 1.00 0.00 C ATOM 81 NE ARG A 33 6.586 5.955 -2.061 1.00 0.00 N ATOM 82 CZ ARG A 33 6.658 5.035 -3.010 1.00 0.00 C ATOM 83 NH1 ARG A 33 6.332 3.795 -2.785 1.00 0.00 N ATOM 84 NH2 ARG A 33 7.020 5.381 -4.205 1.00 0.00 N ATOM 0 H ARG A 33 1.874 6.744 1.845 1.00 0.00 H new ATOM 0 HA ARG A 33 1.884 5.216 -0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.202 5.629 1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.113 4.084 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.226 5.156 -1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.121 6.744 -0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.344 6.655 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.435 4.912 -0.231 1.00 0.00 H new ATOM 0 HE ARG A 33 6.956 6.875 -2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.012 3.512 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.397 3.106 -3.535 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.246 6.355 -4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.079 4.680 -4.943 1.00 0.00 H new ATOM 98 N LEU A 34 1.303 3.079 0.277 1.00 0.00 N ATOM 99 CA LEU A 34 0.596 1.906 0.742 1.00 0.00 C ATOM 100 C LEU A 34 1.526 0.705 0.770 1.00 0.00 C ATOM 101 O LEU A 34 1.853 0.129 -0.257 1.00 0.00 O ATOM 102 CB LEU A 34 -0.693 1.688 -0.039 1.00 0.00 C ATOM 103 CG LEU A 34 -1.517 2.939 -0.420 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.542 4.059 0.635 1.00 0.00 C ATOM 105 CD2 LEU A 34 -1.071 3.467 -1.782 1.00 0.00 C ATOM 0 H LEU A 34 1.415 3.123 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 34 0.275 2.061 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.444 1.157 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.334 1.029 0.547 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.552 2.601 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.146 4.889 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.972 3.677 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.526 4.405 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.658 4.348 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.015 3.734 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.221 2.696 -2.538 1.00 0.00 H new ATOM 117 N PHE A 35 1.979 0.386 1.984 1.00 0.00 N ATOM 118 CA PHE A 35 2.960 -0.653 2.253 1.00 0.00 C ATOM 119 C PHE A 35 2.248 -1.948 2.621 1.00 0.00 C ATOM 120 O PHE A 35 1.711 -2.156 3.705 1.00 0.00 O ATOM 121 CB PHE A 35 3.967 -0.118 3.269 1.00 0.00 C ATOM 122 CG PHE A 35 5.021 -1.065 3.847 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.382 -2.280 3.215 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.725 -0.664 5.000 1.00 0.00 C ATOM 125 CE1 PHE A 35 6.456 -3.046 3.708 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.794 -1.432 5.490 1.00 0.00 C ATOM 127 CZ PHE A 35 7.171 -2.617 4.840 1.00 0.00 C ATOM 0 H PHE A 35 1.660 0.861 2.828 1.00 0.00 H new ATOM 0 HA PHE A 35 3.548 -0.914 1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.494 0.713 2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.402 0.293 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.831 -2.621 2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.440 0.243 5.512 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.731 -3.966 3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.328 -1.109 6.371 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.005 -3.196 5.207 1.00 0.00 H new ATOM 137 N VAL A 36 2.178 -2.831 1.641 1.00 0.00 N ATOM 138 CA VAL A 36 1.341 -4.018 1.707 1.00 0.00 C ATOM 139 C VAL A 36 2.160 -5.217 1.260 1.00 0.00 C ATOM 140 O VAL A 36 2.883 -5.193 0.262 1.00 0.00 O ATOM 141 CB VAL A 36 0.020 -3.783 0.975 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.795 -2.719 1.708 1.00 0.00 C ATOM 143 CG2 VAL A 36 0.185 -3.216 -0.411 1.00 0.00 C ATOM 0 H VAL A 36 2.703 -2.745 0.771 1.00 0.00 H new ATOM 0 HA VAL A 36 1.029 -4.243 2.727 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.451 -4.765 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.736 -2.555 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.001 -3.055 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.231 -1.787 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.796 -3.077 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.697 -2.256 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.773 -3.904 -1.018 1.00 0.00 H new ATOM 153 N ARG A 37 2.112 -6.245 2.094 1.00 0.00 N ATOM 154 CA ARG A 37 3.028 -7.396 2.073 1.00 0.00 C ATOM 155 C ARG A 37 2.486 -8.752 2.598 1.00 0.00 C ATOM 156 O ARG A 37 3.310 -9.622 2.896 1.00 0.00 O ATOM 157 CB ARG A 37 4.295 -6.941 2.841 1.00 0.00 C ATOM 158 CG ARG A 37 3.991 -6.294 4.209 1.00 0.00 C ATOM 159 CD ARG A 37 5.174 -6.338 5.186 1.00 0.00 C ATOM 160 NE ARG A 37 4.757 -5.953 6.555 1.00 0.00 N ATOM 161 CZ ARG A 37 4.501 -4.742 7.017 1.00 0.00 C ATOM 162 NH1 ARG A 37 4.619 -3.658 6.324 1.00 0.00 N ATOM 163 NH2 ARG A 37 4.108 -4.551 8.243 1.00 0.00 N ATOM 0 H ARG A 37 1.413 -6.311 2.833 1.00 0.00 H new ATOM 0 HA ARG A 37 3.218 -7.645 1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.946 -7.802 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.846 -6.229 2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.698 -5.256 4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.139 -6.802 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.598 -7.342 5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.959 -5.666 4.840 1.00 0.00 H new ATOM 0 HE ARG A 37 4.655 -6.717 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.928 -3.705 5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.403 -2.756 6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.991 -5.346 8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.917 -3.606 8.576 1.00 0.00 H new ATOM 177 N PRO A 38 1.164 -9.006 2.737 1.00 0.00 N ATOM 178 CA PRO A 38 0.684 -10.294 3.253 1.00 0.00 C ATOM 179 C PRO A 38 0.815 -11.450 2.250 1.00 0.00 C ATOM 180 O PRO A 38 0.849 -12.622 2.635 1.00 0.00 O ATOM 181 CB PRO A 38 -0.793 -10.050 3.545 1.00 0.00 C ATOM 182 CG PRO A 38 -1.208 -9.090 2.460 1.00 0.00 C ATOM 183 CD PRO A 38 0.012 -8.165 2.416 1.00 0.00 C ATOM 0 HA PRO A 38 1.275 -10.597 4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.369 -10.975 3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.942 -9.624 4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.381 -9.592 1.508 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.124 -8.555 2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.122 -7.711 1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.089 -7.351 3.133 1.00 0.00 H new ATOM 191 N PHE A 39 0.812 -11.118 0.964 1.00 0.00 N ATOM 192 CA PHE A 39 0.713 -12.046 -0.154 1.00 0.00 C ATOM 193 C PHE A 39 2.016 -12.822 -0.408 1.00 0.00 C ATOM 194 O PHE A 39 3.103 -12.350 -0.052 1.00 0.00 O ATOM 195 CB PHE A 39 0.300 -11.291 -1.439 1.00 0.00 C ATOM 196 CG PHE A 39 0.056 -9.799 -1.301 1.00 0.00 C ATOM 197 CD1 PHE A 39 1.144 -8.910 -1.280 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.253 -9.306 -1.176 1.00 0.00 C ATOM 199 CE1 PHE A 39 0.917 -7.526 -1.191 1.00 0.00 C ATOM 200 CE2 PHE A 39 -1.477 -7.926 -1.026 1.00 0.00 C ATOM 201 CZ PHE A 39 -0.394 -7.033 -1.075 1.00 0.00 C ATOM 0 H PHE A 39 0.882 -10.147 0.659 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.050 -12.777 0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.078 -11.441 -2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.609 -11.751 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.154 -9.290 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.090 -9.989 -1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.751 -6.840 -1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.479 -7.554 -0.873 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.569 -5.968 -1.024 1.00 0.00 H new ATOM 211 N PRO A 40 1.931 -13.992 -1.067 1.00 0.00 N ATOM 212 CA PRO A 40 3.103 -14.663 -1.612 1.00 0.00 C ATOM 213 C PRO A 40 3.664 -13.875 -2.801 1.00 0.00 C ATOM 214 O PRO A 40 3.181 -12.798 -3.168 1.00 0.00 O ATOM 215 CB PRO A 40 2.625 -16.067 -1.997 1.00 0.00 C ATOM 216 CG PRO A 40 1.143 -15.864 -2.319 1.00 0.00 C ATOM 217 CD PRO A 40 0.719 -14.744 -1.371 1.00 0.00 C ATOM 0 HA PRO A 40 3.924 -14.727 -0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.173 -16.456 -2.855 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.765 -16.776 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.994 -15.584 -3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.567 -16.774 -2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.031 -14.104 -1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.274 -15.150 -0.463 1.00 0.00 H new ATOM 225 N LEU A 41 4.688 -14.431 -3.447 1.00 0.00 N ATOM 226 CA LEU A 41 5.408 -13.820 -4.563 1.00 0.00 C ATOM 227 C LEU A 41 4.508 -13.484 -5.782 1.00 0.00 C ATOM 228 O LEU A 41 4.892 -12.721 -6.672 1.00 0.00 O ATOM 229 CB LEU A 41 6.569 -14.748 -4.979 1.00 0.00 C ATOM 230 CG LEU A 41 7.586 -15.258 -3.925 1.00 0.00 C ATOM 231 CD1 LEU A 41 8.201 -14.148 -3.079 1.00 0.00 C ATOM 232 CD2 LEU A 41 7.039 -16.326 -2.974 1.00 0.00 C ATOM 0 H LEU A 41 5.052 -15.351 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 41 5.791 -12.861 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.126 -15.626 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.138 -14.226 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 41 8.355 -15.711 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.902 -14.581 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.729 -13.447 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.413 -13.622 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.819 -16.623 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.190 -15.922 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.718 -17.195 -3.549 1.00 0.00 H new ATOM 244 N ASP A 42 3.308 -14.070 -5.833 1.00 0.00 N ATOM 245 CA ASP A 42 2.326 -13.993 -6.924 1.00 0.00 C ATOM 246 C ASP A 42 1.634 -12.622 -7.115 1.00 0.00 C ATOM 247 O ASP A 42 1.070 -12.404 -8.185 1.00 0.00 O ATOM 248 CB ASP A 42 1.245 -15.061 -6.682 1.00 0.00 C ATOM 249 CG ASP A 42 1.807 -16.490 -6.550 1.00 0.00 C ATOM 250 OD1 ASP A 42 2.334 -16.836 -5.467 1.00 0.00 O ATOM 251 OD2 ASP A 42 1.704 -17.279 -7.521 1.00 0.00 O ATOM 0 H ASP A 42 2.973 -14.649 -5.063 1.00 0.00 H new ATOM 0 HA ASP A 42 2.894 -14.158 -7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.696 -14.811 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.530 -15.035 -7.505 1.00 0.00 H new ATOM 256 N VAL A 43 1.645 -11.701 -6.134 1.00 0.00 N ATOM 257 CA VAL A 43 0.991 -10.369 -6.251 1.00 0.00 C ATOM 258 C VAL A 43 1.558 -9.525 -7.406 1.00 0.00 C ATOM 259 O VAL A 43 2.768 -9.513 -7.642 1.00 0.00 O ATOM 260 CB VAL A 43 1.028 -9.587 -4.913 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.445 -9.411 -4.350 1.00 0.00 C ATOM 262 CG2 VAL A 43 0.341 -8.213 -5.009 1.00 0.00 C ATOM 0 H VAL A 43 2.105 -11.851 -5.236 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.054 -10.568 -6.491 1.00 0.00 H new ATOM 0 HB VAL A 43 0.465 -10.212 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.398 -8.856 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.889 -10.390 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.056 -8.862 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.397 -7.710 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.843 -7.607 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.704 -8.347 -5.288 1.00 0.00 H new ATOM 272 N GLN A 44 0.691 -8.785 -8.112 1.00 0.00 N ATOM 273 CA GLN A 44 1.043 -7.951 -9.269 1.00 0.00 C ATOM 274 C GLN A 44 0.244 -6.637 -9.272 1.00 0.00 C ATOM 275 O GLN A 44 -0.695 -6.449 -8.486 1.00 0.00 O ATOM 276 CB GLN A 44 0.766 -8.672 -10.615 1.00 0.00 C ATOM 277 CG GLN A 44 1.224 -10.128 -10.769 1.00 0.00 C ATOM 278 CD GLN A 44 2.732 -10.339 -10.645 1.00 0.00 C ATOM 279 OE1 GLN A 44 3.550 -9.588 -11.166 1.00 0.00 O ATOM 280 NE2 GLN A 44 3.153 -11.392 -9.984 1.00 0.00 N ATOM 0 H GLN A 44 -0.303 -8.750 -7.887 1.00 0.00 H new ATOM 0 HA GLN A 44 2.110 -7.749 -9.176 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.309 -8.641 -10.793 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.237 -8.090 -11.407 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.723 -10.734 -10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.898 -10.496 -11.742 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.481 -12.022 -9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.153 -11.580 -9.907 1.00 0.00 H new ATOM 289 N GLU A 45 0.574 -5.741 -10.202 1.00 0.00 N ATOM 290 CA GLU A 45 -0.156 -4.491 -10.453 1.00 0.00 C ATOM 291 C GLU A 45 -1.670 -4.699 -10.636 1.00 0.00 C ATOM 292 O GLU A 45 -2.429 -3.833 -10.218 1.00 0.00 O ATOM 293 CB GLU A 45 0.479 -3.788 -11.672 1.00 0.00 C ATOM 294 CG GLU A 45 -0.115 -2.402 -11.950 1.00 0.00 C ATOM 295 CD GLU A 45 0.654 -1.680 -13.075 1.00 0.00 C ATOM 296 OE1 GLU A 45 0.345 -1.907 -14.271 1.00 0.00 O ATOM 297 OE2 GLU A 45 1.565 -0.871 -12.776 1.00 0.00 O ATOM 0 H GLU A 45 1.377 -5.864 -10.819 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.066 -3.857 -9.571 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.552 -3.689 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.348 -4.415 -12.554 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.164 -2.503 -12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.084 -1.801 -11.041 1.00 0.00 H new ATOM 304 N SER A 46 -2.137 -5.837 -11.159 1.00 0.00 N ATOM 305 CA SER A 46 -3.567 -6.194 -11.255 1.00 0.00 C ATOM 306 C SER A 46 -4.268 -6.431 -9.904 1.00 0.00 C ATOM 307 O SER A 46 -5.443 -6.095 -9.727 1.00 0.00 O ATOM 308 CB SER A 46 -3.744 -7.443 -12.144 1.00 0.00 C ATOM 309 OG SER A 46 -2.630 -8.328 -12.097 1.00 0.00 O ATOM 0 H SER A 46 -1.521 -6.557 -11.538 1.00 0.00 H new ATOM 0 HA SER A 46 -4.049 -5.322 -11.697 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.640 -7.980 -11.831 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.906 -7.127 -13.175 1.00 0.00 H new ATOM 0 HG SER A 46 -2.611 -8.784 -11.230 1.00 0.00 H new ATOM 315 N GLU A 47 -3.561 -6.970 -8.905 1.00 0.00 N ATOM 316 CA GLU A 47 -4.081 -7.324 -7.596 1.00 0.00 C ATOM 317 C GLU A 47 -4.075 -6.072 -6.717 1.00 0.00 C ATOM 318 O GLU A 47 -5.038 -5.747 -6.028 1.00 0.00 O ATOM 319 CB GLU A 47 -3.133 -8.393 -7.034 1.00 0.00 C ATOM 320 CG GLU A 47 -3.489 -9.809 -7.489 1.00 0.00 C ATOM 321 CD GLU A 47 -3.473 -10.007 -9.028 1.00 0.00 C ATOM 322 OE1 GLU A 47 -2.438 -9.715 -9.675 1.00 0.00 O ATOM 323 OE2 GLU A 47 -4.497 -10.467 -9.592 1.00 0.00 O ATOM 0 H GLU A 47 -2.567 -7.177 -8.999 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.101 -7.705 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.113 -8.164 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.153 -8.352 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.788 -10.511 -7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.480 -10.061 -7.112 1.00 0.00 H new ATOM 330 N LEU A 48 -3.004 -5.295 -6.860 1.00 0.00 N ATOM 331 CA LEU A 48 -2.916 -3.959 -6.313 1.00 0.00 C ATOM 332 C LEU A 48 -3.995 -3.076 -6.966 1.00 0.00 C ATOM 333 O LEU A 48 -4.646 -2.313 -6.269 1.00 0.00 O ATOM 334 CB LEU A 48 -1.497 -3.468 -6.585 1.00 0.00 C ATOM 335 CG LEU A 48 -0.387 -4.358 -6.009 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.921 -4.151 -6.736 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.060 -3.964 -4.602 1.00 0.00 C ATOM 0 H LEU A 48 -2.168 -5.586 -7.366 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.100 -3.928 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.356 -3.387 -7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.389 -2.465 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.763 -5.378 -6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.685 -4.797 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.794 -4.397 -7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.229 -3.110 -6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.729 -4.610 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.278 -2.928 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.949 -4.067 -3.979 1.00 0.00 H new ATOM 349 N ASN A 49 -4.274 -3.220 -8.268 1.00 0.00 N ATOM 350 CA ASN A 49 -5.403 -2.522 -8.913 1.00 0.00 C ATOM 351 C ASN A 49 -6.757 -2.885 -8.291 1.00 0.00 C ATOM 352 O ASN A 49 -7.570 -1.994 -8.045 1.00 0.00 O ATOM 353 CB ASN A 49 -5.453 -2.758 -10.440 1.00 0.00 C ATOM 354 CG ASN A 49 -4.874 -1.606 -11.233 1.00 0.00 C ATOM 355 OD1 ASN A 49 -5.583 -0.757 -11.758 1.00 0.00 O ATOM 356 ND2 ASN A 49 -3.574 -1.554 -11.375 1.00 0.00 N ATOM 0 H ASN A 49 -3.735 -3.813 -8.899 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.218 -1.463 -8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.905 -3.669 -10.680 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.487 -2.918 -10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.150 -0.806 -11.924 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.984 -2.262 -10.937 1.00 0.00 H new ATOM 363 N GLU A 50 -7.001 -4.159 -7.973 1.00 0.00 N ATOM 364 CA GLU A 50 -8.186 -4.558 -7.204 1.00 0.00 C ATOM 365 C GLU A 50 -8.260 -3.903 -5.812 1.00 0.00 C ATOM 366 O GLU A 50 -9.348 -3.547 -5.345 1.00 0.00 O ATOM 367 CB GLU A 50 -8.205 -6.082 -7.047 1.00 0.00 C ATOM 368 CG GLU A 50 -8.901 -6.789 -8.214 1.00 0.00 C ATOM 369 CD GLU A 50 -10.429 -6.578 -8.206 1.00 0.00 C ATOM 370 OE1 GLU A 50 -11.146 -7.317 -7.485 1.00 0.00 O ATOM 371 OE2 GLU A 50 -10.930 -5.683 -8.929 1.00 0.00 O ATOM 0 H GLU A 50 -6.393 -4.935 -8.236 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.054 -4.212 -7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.181 -6.447 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.711 -6.341 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.491 -6.420 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.685 -7.856 -8.169 1.00 0.00 H new ATOM 378 N ILE A 51 -7.115 -3.735 -5.142 1.00 0.00 N ATOM 379 CA ILE A 51 -7.022 -3.178 -3.781 1.00 0.00 C ATOM 380 C ILE A 51 -7.102 -1.637 -3.768 1.00 0.00 C ATOM 381 O ILE A 51 -7.766 -1.083 -2.889 1.00 0.00 O ATOM 382 CB ILE A 51 -5.705 -3.682 -3.160 1.00 0.00 C ATOM 383 CG1 ILE A 51 -5.756 -5.209 -2.893 1.00 0.00 C ATOM 384 CG2 ILE A 51 -5.373 -2.970 -1.840 1.00 0.00 C ATOM 385 CD1 ILE A 51 -4.381 -5.848 -2.646 1.00 0.00 C ATOM 0 H ILE A 51 -6.208 -3.986 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.874 -3.516 -3.191 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.926 -3.457 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.392 -5.395 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.226 -5.701 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.436 -3.360 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.273 -1.899 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.173 -3.145 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.503 -6.916 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.747 -5.696 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.916 -5.386 -1.775 1.00 0.00 H new ATOM 397 N PHE A 52 -6.460 -0.949 -4.719 1.00 0.00 N ATOM 398 CA PHE A 52 -6.234 0.509 -4.742 1.00 0.00 C ATOM 399 C PHE A 52 -7.107 1.280 -5.741 1.00 0.00 C ATOM 400 O PHE A 52 -7.395 2.465 -5.559 1.00 0.00 O ATOM 401 CB PHE A 52 -4.785 0.812 -5.064 1.00 0.00 C ATOM 402 CG PHE A 52 -3.817 0.290 -4.044 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.855 0.725 -2.708 1.00 0.00 C ATOM 404 CD2 PHE A 52 -2.915 -0.699 -4.431 1.00 0.00 C ATOM 405 CE1 PHE A 52 -3.080 0.070 -1.733 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.142 -1.336 -3.466 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.224 -0.967 -2.129 1.00 0.00 C ATOM 0 H PHE A 52 -6.063 -1.413 -5.536 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.510 0.846 -3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.541 0.383 -6.036 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.660 1.891 -5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.479 1.562 -2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.817 -0.969 -5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.144 0.362 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.469 -2.128 -3.760 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.626 -1.481 -1.392 1.00 0.00 H new ATOM 417 N GLY A 53 -7.565 0.600 -6.800 1.00 0.00 N ATOM 418 CA GLY A 53 -8.548 1.100 -7.754 1.00 0.00 C ATOM 419 C GLY A 53 -9.841 1.681 -7.151 1.00 0.00 C ATOM 420 O GLY A 53 -10.359 2.637 -7.734 1.00 0.00 O ATOM 0 H GLY A 53 -7.247 -0.344 -7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.075 1.872 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.818 0.286 -8.427 1.00 0.00 H new ATOM 424 N PRO A 54 -10.372 1.201 -5.993 1.00 0.00 N ATOM 425 CA PRO A 54 -11.522 1.836 -5.337 1.00 0.00 C ATOM 426 C PRO A 54 -11.272 3.292 -4.897 1.00 0.00 C ATOM 427 O PRO A 54 -12.221 4.071 -4.778 1.00 0.00 O ATOM 428 CB PRO A 54 -11.858 0.953 -4.125 1.00 0.00 C ATOM 429 CG PRO A 54 -11.212 -0.392 -4.455 1.00 0.00 C ATOM 430 CD PRO A 54 -9.960 0.043 -5.202 1.00 0.00 C ATOM 0 HA PRO A 54 -12.345 1.907 -6.048 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.457 1.373 -3.202 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.935 0.855 -3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.975 -0.964 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.859 -1.017 -5.070 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.159 0.303 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.584 -0.757 -5.840 1.00 0.00 H new ATOM 438 N PHE A 55 -10.010 3.673 -4.662 1.00 0.00 N ATOM 439 CA PHE A 55 -9.612 5.005 -4.183 1.00 0.00 C ATOM 440 C PHE A 55 -9.347 5.960 -5.340 1.00 0.00 C ATOM 441 O PHE A 55 -9.771 7.119 -5.303 1.00 0.00 O ATOM 442 CB PHE A 55 -8.324 4.901 -3.353 1.00 0.00 C ATOM 443 CG PHE A 55 -8.266 3.717 -2.429 1.00 0.00 C ATOM 444 CD1 PHE A 55 -9.438 3.335 -1.763 1.00 0.00 C ATOM 445 CD2 PHE A 55 -7.126 2.891 -2.413 1.00 0.00 C ATOM 446 CE1 PHE A 55 -9.516 2.082 -1.152 1.00 0.00 C ATOM 447 CE2 PHE A 55 -7.170 1.708 -1.643 1.00 0.00 C ATOM 448 CZ PHE A 55 -8.374 1.284 -1.057 1.00 0.00 C ATOM 0 H PHE A 55 -9.216 3.048 -4.803 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.434 5.389 -3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.473 4.856 -4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.214 5.811 -2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.281 4.009 -1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.242 3.155 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.457 1.731 -0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.271 1.125 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.417 0.341 -0.533 1.00 0.00 H new ATOM 458 N GLY A 56 -8.636 5.447 -6.341 1.00 0.00 N ATOM 459 CA GLY A 56 -8.443 6.075 -7.638 1.00 0.00 C ATOM 460 C GLY A 56 -6.984 6.441 -7.959 1.00 0.00 C ATOM 461 O GLY A 56 -6.388 5.787 -8.820 1.00 0.00 O ATOM 0 H GLY A 56 -8.162 4.547 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.814 5.403 -8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.050 6.979 -7.683 1.00 0.00 H new ATOM 465 N PRO A 57 -6.387 7.454 -7.295 1.00 0.00 N ATOM 466 CA PRO A 57 -5.055 8.005 -7.594 1.00 0.00 C ATOM 467 C PRO A 57 -3.797 7.121 -7.442 1.00 0.00 C ATOM 468 O PRO A 57 -2.717 7.693 -7.293 1.00 0.00 O ATOM 469 CB PRO A 57 -4.935 9.276 -6.744 1.00 0.00 C ATOM 470 CG PRO A 57 -6.378 9.729 -6.624 1.00 0.00 C ATOM 471 CD PRO A 57 -7.096 8.401 -6.438 1.00 0.00 C ATOM 0 HA PRO A 57 -5.039 8.154 -8.674 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.491 9.072 -5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.312 10.029 -7.226 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.529 10.399 -5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.718 10.258 -7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.070 8.083 -5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.145 8.479 -6.722 1.00 0.00 H new ATOM 479 N MET A 58 -3.876 5.780 -7.455 1.00 0.00 N ATOM 480 CA MET A 58 -2.704 4.876 -7.570 1.00 0.00 C ATOM 481 C MET A 58 -1.812 5.329 -8.740 1.00 0.00 C ATOM 482 O MET A 58 -2.169 5.220 -9.916 1.00 0.00 O ATOM 483 CB MET A 58 -3.120 3.412 -7.670 1.00 0.00 C ATOM 484 CG MET A 58 -4.196 3.053 -8.702 1.00 0.00 C ATOM 485 SD MET A 58 -4.683 1.303 -8.741 1.00 0.00 S ATOM 486 CE MET A 58 -3.204 0.496 -8.076 1.00 0.00 C ATOM 0 H MET A 58 -4.763 5.281 -7.385 1.00 0.00 H new ATOM 0 HA MET A 58 -2.114 4.945 -6.656 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.230 2.823 -7.893 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.475 3.095 -6.689 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.082 3.655 -8.503 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.835 3.335 -9.691 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.362 -0.582 -8.043 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.350 0.718 -8.715 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.010 0.865 -7.069 1.00 0.00 H new ATOM 496 N LYS A 59 -0.649 5.874 -8.373 1.00 0.00 N ATOM 497 CA LYS A 59 0.227 6.660 -9.251 1.00 0.00 C ATOM 498 C LYS A 59 1.675 6.177 -9.262 1.00 0.00 C ATOM 499 O LYS A 59 2.384 6.395 -10.248 1.00 0.00 O ATOM 500 CB LYS A 59 -0.001 8.093 -8.759 1.00 0.00 C ATOM 501 CG LYS A 59 0.933 9.217 -9.158 1.00 0.00 C ATOM 502 CD LYS A 59 2.238 9.348 -8.370 1.00 0.00 C ATOM 503 CE LYS A 59 2.029 9.354 -6.861 1.00 0.00 C ATOM 504 NZ LYS A 59 3.034 10.183 -6.150 1.00 0.00 N ATOM 0 H LYS A 59 -0.278 5.778 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.009 6.563 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.002 8.383 -9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.010 8.058 -7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.184 9.091 -10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.389 10.157 -9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.900 8.524 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.742 10.269 -8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.030 9.729 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.077 8.331 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.718 10.349 -5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.948 9.687 -6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.141 11.095 -6.639 1.00 0.00 H new ATOM 518 N GLU A 60 2.095 5.459 -8.228 1.00 0.00 N ATOM 519 CA GLU A 60 3.342 4.685 -8.229 1.00 0.00 C ATOM 520 C GLU A 60 3.124 3.350 -7.543 1.00 0.00 C ATOM 521 O GLU A 60 2.193 3.199 -6.758 1.00 0.00 O ATOM 522 CB GLU A 60 4.527 5.516 -7.712 1.00 0.00 C ATOM 523 CG GLU A 60 5.823 5.330 -8.494 1.00 0.00 C ATOM 524 CD GLU A 60 6.663 4.200 -7.900 1.00 0.00 C ATOM 525 OE1 GLU A 60 7.337 4.421 -6.863 1.00 0.00 O ATOM 526 OE2 GLU A 60 6.656 3.077 -8.456 1.00 0.00 O ATOM 0 H GLU A 60 1.577 5.393 -7.352 1.00 0.00 H new ATOM 0 HA GLU A 60 3.630 4.442 -9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.252 6.570 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.707 5.257 -6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.594 5.109 -9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.395 6.258 -8.483 1.00 0.00 H new ATOM 533 N VAL A 61 3.922 2.354 -7.914 1.00 0.00 N ATOM 534 CA VAL A 61 3.691 0.944 -7.593 1.00 0.00 C ATOM 535 C VAL A 61 5.038 0.224 -7.579 1.00 0.00 C ATOM 536 O VAL A 61 5.426 -0.461 -8.532 1.00 0.00 O ATOM 537 CB VAL A 61 2.714 0.294 -8.627 1.00 0.00 C ATOM 538 CG1 VAL A 61 2.105 -0.981 -8.046 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.538 1.150 -9.129 1.00 0.00 C ATOM 0 H VAL A 61 4.770 2.506 -8.460 1.00 0.00 H new ATOM 0 HA VAL A 61 3.224 0.859 -6.612 1.00 0.00 H new ATOM 0 HB VAL A 61 3.362 0.129 -9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.427 -1.425 -8.775 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.899 -1.689 -7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.554 -0.740 -7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.945 0.573 -9.839 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.912 1.440 -8.285 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.922 2.044 -9.619 1.00 0.00 H new ATOM 549 N LYS A 62 5.793 0.398 -6.492 1.00 0.00 N ATOM 550 CA LYS A 62 6.997 -0.407 -6.249 1.00 0.00 C ATOM 551 C LYS A 62 6.522 -1.824 -5.964 1.00 0.00 C ATOM 552 O LYS A 62 5.669 -2.003 -5.096 1.00 0.00 O ATOM 553 CB LYS A 62 7.804 0.117 -5.053 1.00 0.00 C ATOM 554 CG LYS A 62 8.023 1.639 -5.013 1.00 0.00 C ATOM 555 CD LYS A 62 9.482 2.065 -5.240 1.00 0.00 C ATOM 556 CE LYS A 62 10.012 1.761 -6.647 1.00 0.00 C ATOM 557 NZ LYS A 62 9.311 2.551 -7.691 1.00 0.00 N ATOM 0 H LYS A 62 5.594 1.087 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 62 7.654 -0.362 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.297 -0.183 -4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.778 -0.372 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.396 2.106 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.690 2.019 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.570 3.135 -5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.114 1.561 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.080 1.976 -6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.893 0.698 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.936 2.670 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.446 2.052 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.059 3.485 -7.309 1.00 0.00 H new ATOM 571 N ILE A 63 7.061 -2.813 -6.664 1.00 0.00 N ATOM 572 CA ILE A 63 6.754 -4.230 -6.429 1.00 0.00 C ATOM 573 C ILE A 63 8.049 -5.034 -6.400 1.00 0.00 C ATOM 574 O ILE A 63 8.866 -5.004 -7.323 1.00 0.00 O ATOM 575 CB ILE A 63 5.741 -4.808 -7.451 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.490 -3.910 -7.564 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.341 -6.237 -7.025 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.414 -4.401 -8.536 1.00 0.00 C ATOM 0 H ILE A 63 7.730 -2.660 -7.419 1.00 0.00 H new ATOM 0 HA ILE A 63 6.263 -4.308 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 63 6.215 -4.841 -8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.044 -3.812 -6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.806 -2.913 -7.872 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.629 -6.645 -7.742 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.228 -6.869 -6.995 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.883 -6.207 -6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.580 -3.699 -8.540 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.834 -4.471 -9.539 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.061 -5.383 -8.222 1.00 0.00 H new ATOM 590 N LEU A 64 8.214 -5.732 -5.284 1.00 0.00 N ATOM 591 CA LEU A 64 9.359 -6.553 -4.916 1.00 0.00 C ATOM 592 C LEU A 64 8.849 -7.984 -4.656 1.00 0.00 C ATOM 593 O LEU A 64 7.637 -8.201 -4.598 1.00 0.00 O ATOM 594 CB LEU A 64 10.035 -5.970 -3.650 1.00 0.00 C ATOM 595 CG LEU A 64 10.551 -4.511 -3.667 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.543 -3.402 -3.995 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.190 -4.212 -2.316 1.00 0.00 C ATOM 0 H LEU A 64 7.497 -5.739 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 64 10.101 -6.566 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.322 -6.055 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.880 -6.613 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 64 11.250 -4.482 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.045 -2.435 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.128 -3.570 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.739 -3.412 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.561 -3.187 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.448 -4.336 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.019 -4.899 -2.146 1.00 0.00 H new ATOM 609 N ASN A 65 9.773 -8.932 -4.464 1.00 0.00 N ATOM 610 CA ASN A 65 9.584 -10.388 -4.269 1.00 0.00 C ATOM 611 C ASN A 65 8.123 -10.818 -3.993 1.00 0.00 C ATOM 612 O ASN A 65 7.480 -11.373 -4.881 1.00 0.00 O ATOM 613 CB ASN A 65 10.580 -10.937 -3.210 1.00 0.00 C ATOM 614 CG ASN A 65 11.725 -9.996 -2.868 1.00 0.00 C ATOM 615 OD1 ASN A 65 11.755 -9.368 -1.818 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.666 -9.788 -3.755 1.00 0.00 N ATOM 0 H ASN A 65 10.763 -8.686 -4.437 1.00 0.00 H new ATOM 0 HA ASN A 65 9.815 -10.852 -5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.030 -11.165 -2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.996 -11.876 -3.574 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.406 -9.113 -3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.659 -10.301 -4.636 1.00 0.00 H new ATOM 623 N GLY A 66 7.594 -10.481 -2.810 1.00 0.00 N ATOM 624 CA GLY A 66 6.183 -10.589 -2.405 1.00 0.00 C ATOM 625 C GLY A 66 5.696 -9.361 -1.614 1.00 0.00 C ATOM 626 O GLY A 66 4.930 -9.500 -0.664 1.00 0.00 O ATOM 0 H GLY A 66 8.175 -10.102 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.563 -10.713 -3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.051 -11.484 -1.796 1.00 0.00 H new ATOM 630 N PHE A 67 6.169 -8.163 -1.977 1.00 0.00 N ATOM 631 CA PHE A 67 5.935 -6.896 -1.265 1.00 0.00 C ATOM 632 C PHE A 67 5.567 -5.779 -2.253 1.00 0.00 C ATOM 633 O PHE A 67 6.049 -5.760 -3.391 1.00 0.00 O ATOM 634 CB PHE A 67 7.196 -6.466 -0.489 1.00 0.00 C ATOM 635 CG PHE A 67 7.890 -7.538 0.323 1.00 0.00 C ATOM 636 CD1 PHE A 67 8.832 -8.401 -0.272 1.00 0.00 C ATOM 637 CD2 PHE A 67 7.611 -7.660 1.694 1.00 0.00 C ATOM 638 CE1 PHE A 67 9.417 -9.431 0.488 1.00 0.00 C ATOM 639 CE2 PHE A 67 8.208 -8.677 2.460 1.00 0.00 C ATOM 640 CZ PHE A 67 9.101 -9.574 1.846 1.00 0.00 C ATOM 0 H PHE A 67 6.749 -8.042 -2.808 1.00 0.00 H new ATOM 0 HA PHE A 67 5.112 -7.058 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.914 -6.061 -1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.922 -5.653 0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.104 -8.272 -1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.931 -6.966 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.112 -10.114 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.983 -8.769 3.512 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.543 -10.374 2.422 1.00 0.00 H new ATOM 650 N ALA A 68 4.765 -4.814 -1.819 1.00 0.00 N ATOM 651 CA ALA A 68 4.284 -3.708 -2.633 1.00 0.00 C ATOM 652 C ALA A 68 4.228 -2.404 -1.829 1.00 0.00 C ATOM 653 O ALA A 68 3.856 -2.376 -0.660 1.00 0.00 O ATOM 654 CB ALA A 68 2.940 -4.110 -3.217 1.00 0.00 C ATOM 0 H ALA A 68 4.421 -4.780 -0.859 1.00 0.00 H new ATOM 0 HA ALA A 68 4.975 -3.504 -3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.554 -3.298 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.062 -5.004 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.239 -4.316 -2.408 1.00 0.00 H new ATOM 660 N PHE A 69 4.628 -1.323 -2.499 1.00 0.00 N ATOM 661 CA PHE A 69 4.771 0.017 -1.933 1.00 0.00 C ATOM 662 C PHE A 69 4.204 0.989 -2.959 1.00 0.00 C ATOM 663 O PHE A 69 4.899 1.516 -3.833 1.00 0.00 O ATOM 664 CB PHE A 69 6.208 0.367 -1.500 1.00 0.00 C ATOM 665 CG PHE A 69 7.023 -0.746 -0.866 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.383 -1.880 -1.614 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.461 -0.629 0.454 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.108 -2.916 -1.020 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.256 -1.639 1.029 1.00 0.00 C ATOM 670 CZ PHE A 69 8.591 -2.784 0.283 1.00 0.00 C ATOM 0 H PHE A 69 4.870 -1.359 -3.489 1.00 0.00 H new ATOM 0 HA PHE A 69 4.216 0.079 -0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.748 0.727 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.157 1.196 -0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.098 -1.951 -2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.189 0.239 1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.296 -3.825 -1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.609 -1.535 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.215 -3.553 0.714 1.00 0.00 H new ATOM 680 N VAL A 70 2.885 1.114 -2.902 1.00 0.00 N ATOM 681 CA VAL A 70 2.107 1.903 -3.858 1.00 0.00 C ATOM 682 C VAL A 70 2.114 3.356 -3.399 1.00 0.00 C ATOM 683 O VAL A 70 2.407 3.612 -2.240 1.00 0.00 O ATOM 684 CB VAL A 70 0.724 1.246 -4.082 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.070 1.503 -5.440 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.891 -0.258 -4.216 1.00 0.00 C ATOM 0 H VAL A 70 2.315 0.667 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 70 2.547 1.916 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 70 0.146 1.645 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.893 0.994 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.080 2.574 -5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.716 1.124 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.084 -0.720 -4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.538 -0.478 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.338 -0.657 -3.306 1.00 0.00 H new ATOM 696 N GLU A 71 1.859 4.326 -4.268 1.00 0.00 N ATOM 697 CA GLU A 71 2.055 5.753 -3.983 1.00 0.00 C ATOM 698 C GLU A 71 0.971 6.585 -4.668 1.00 0.00 C ATOM 699 O GLU A 71 0.535 6.253 -5.773 1.00 0.00 O ATOM 700 CB GLU A 71 3.415 6.208 -4.533 1.00 0.00 C ATOM 701 CG GLU A 71 3.933 7.521 -3.932 1.00 0.00 C ATOM 702 CD GLU A 71 5.219 8.040 -4.603 1.00 0.00 C ATOM 703 OE1 GLU A 71 5.141 8.490 -5.765 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.300 8.039 -3.968 1.00 0.00 O ATOM 0 H GLU A 71 1.504 4.147 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 71 2.009 5.895 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.149 5.423 -4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.336 6.323 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.156 8.281 -4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.121 7.375 -2.868 1.00 0.00 H new ATOM 711 N PHE A 72 0.625 7.719 -4.054 1.00 0.00 N ATOM 712 CA PHE A 72 -0.424 8.616 -4.530 1.00 0.00 C ATOM 713 C PHE A 72 -0.017 10.080 -4.675 1.00 0.00 C ATOM 714 O PHE A 72 0.931 10.566 -4.059 1.00 0.00 O ATOM 715 CB PHE A 72 -1.592 8.553 -3.537 1.00 0.00 C ATOM 716 CG PHE A 72 -2.227 7.207 -3.267 1.00 0.00 C ATOM 717 CD1 PHE A 72 -2.502 6.313 -4.311 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.664 6.910 -1.965 1.00 0.00 C ATOM 719 CE1 PHE A 72 -3.264 5.154 -4.065 1.00 0.00 C ATOM 720 CE2 PHE A 72 -3.455 5.776 -1.736 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.758 4.897 -2.784 1.00 0.00 C ATOM 0 H PHE A 72 1.075 8.043 -3.198 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.679 8.270 -5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.242 8.953 -2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.372 9.223 -3.897 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.129 6.513 -5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.391 7.554 -1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.467 4.462 -4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.834 5.578 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.370 4.026 -2.602 1.00 0.00 H new ATOM 731 N GLU A 73 -0.735 10.766 -5.568 1.00 0.00 N ATOM 732 CA GLU A 73 -0.573 12.199 -5.863 1.00 0.00 C ATOM 733 C GLU A 73 -1.417 13.106 -4.939 1.00 0.00 C ATOM 734 O GLU A 73 -1.241 14.326 -4.931 1.00 0.00 O ATOM 735 CB GLU A 73 -0.852 12.472 -7.352 1.00 0.00 C ATOM 736 CG GLU A 73 -2.201 11.939 -7.846 1.00 0.00 C ATOM 737 CD GLU A 73 -2.406 12.244 -9.348 1.00 0.00 C ATOM 738 OE1 GLU A 73 -1.920 11.464 -10.204 1.00 0.00 O ATOM 739 OE2 GLU A 73 -3.062 13.260 -9.678 1.00 0.00 O ATOM 0 H GLU A 73 -1.469 10.329 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 73 0.465 12.458 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.813 13.547 -7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.057 12.024 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.253 10.863 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.007 12.390 -7.267 1.00 0.00 H new ATOM 746 N GLU A 74 -2.291 12.513 -4.113 1.00 0.00 N ATOM 747 CA GLU A 74 -3.018 13.174 -3.028 1.00 0.00 C ATOM 748 C GLU A 74 -2.856 12.386 -1.713 1.00 0.00 C ATOM 749 O GLU A 74 -3.136 11.186 -1.649 1.00 0.00 O ATOM 750 CB GLU A 74 -4.512 13.397 -3.372 1.00 0.00 C ATOM 751 CG GLU A 74 -5.292 12.180 -3.904 1.00 0.00 C ATOM 752 CD GLU A 74 -6.832 12.378 -3.862 1.00 0.00 C ATOM 753 OE1 GLU A 74 -7.319 13.505 -4.130 1.00 0.00 O ATOM 754 OE2 GLU A 74 -7.572 11.395 -3.589 1.00 0.00 O ATOM 0 H GLU A 74 -2.517 11.521 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.580 14.163 -2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.017 13.758 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.574 14.192 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.985 11.980 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.028 11.301 -3.315 1.00 0.00 H new ATOM 761 N ALA A 75 -2.457 13.074 -0.637 1.00 0.00 N ATOM 762 CA ALA A 75 -2.482 12.514 0.712 1.00 0.00 C ATOM 763 C ALA A 75 -3.916 12.158 1.162 1.00 0.00 C ATOM 764 O ALA A 75 -4.106 11.330 2.049 1.00 0.00 O ATOM 765 CB ALA A 75 -1.798 13.498 1.666 1.00 0.00 C ATOM 0 H ALA A 75 -2.109 14.032 -0.680 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.932 11.573 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.810 13.092 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.767 13.654 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.330 14.449 1.651 1.00 0.00 H new ATOM 771 N GLU A 76 -4.940 12.715 0.507 1.00 0.00 N ATOM 772 CA GLU A 76 -6.343 12.320 0.675 1.00 0.00 C ATOM 773 C GLU A 76 -6.633 10.897 0.164 1.00 0.00 C ATOM 774 O GLU A 76 -7.518 10.234 0.703 1.00 0.00 O ATOM 775 CB GLU A 76 -7.272 13.324 -0.024 1.00 0.00 C ATOM 776 CG GLU A 76 -7.075 14.785 0.405 1.00 0.00 C ATOM 777 CD GLU A 76 -7.246 14.986 1.925 1.00 0.00 C ATOM 778 OE1 GLU A 76 -8.402 15.010 2.413 1.00 0.00 O ATOM 779 OE2 GLU A 76 -6.226 15.138 2.647 1.00 0.00 O ATOM 0 H GLU A 76 -4.814 13.469 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.537 12.322 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.119 13.252 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.306 13.038 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.080 15.116 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.791 15.415 -0.124 1.00 0.00 H new ATOM 786 N SER A 77 -5.881 10.378 -0.819 1.00 0.00 N ATOM 787 CA SER A 77 -5.973 8.954 -1.179 1.00 0.00 C ATOM 788 C SER A 77 -5.261 8.077 -0.182 1.00 0.00 C ATOM 789 O SER A 77 -5.746 6.991 0.094 1.00 0.00 O ATOM 790 CB SER A 77 -5.496 8.635 -2.595 1.00 0.00 C ATOM 791 OG SER A 77 -5.833 7.315 -2.975 1.00 0.00 O ATOM 0 H SER A 77 -5.212 10.914 -1.372 1.00 0.00 H new ATOM 0 HA SER A 77 -7.040 8.731 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.941 9.341 -3.297 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.415 8.766 -2.653 1.00 0.00 H new ATOM 0 HG SER A 77 -5.086 6.715 -2.770 1.00 0.00 H new ATOM 797 N ALA A 78 -4.174 8.546 0.413 1.00 0.00 N ATOM 798 CA ALA A 78 -3.570 7.819 1.519 1.00 0.00 C ATOM 799 C ALA A 78 -4.563 7.739 2.687 1.00 0.00 C ATOM 800 O ALA A 78 -4.903 6.633 3.090 1.00 0.00 O ATOM 801 CB ALA A 78 -2.232 8.468 1.833 1.00 0.00 C ATOM 0 H ALA A 78 -3.699 9.411 0.155 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.354 6.779 1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.757 7.941 2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.589 8.419 0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.389 9.511 2.109 1.00 0.00 H new ATOM 807 N ALA A 79 -5.147 8.866 3.120 1.00 0.00 N ATOM 808 CA ALA A 79 -6.237 8.924 4.097 1.00 0.00 C ATOM 809 C ALA A 79 -7.390 7.956 3.779 1.00 0.00 C ATOM 810 O ALA A 79 -7.766 7.133 4.628 1.00 0.00 O ATOM 811 CB ALA A 79 -6.721 10.374 4.224 1.00 0.00 C ATOM 0 H ALA A 79 -4.863 9.788 2.788 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.847 8.588 5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.533 10.424 4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.897 11.005 4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.078 10.725 3.256 1.00 0.00 H new ATOM 817 N LYS A 80 -7.928 8.000 2.546 1.00 0.00 N ATOM 818 CA LYS A 80 -9.030 7.107 2.178 1.00 0.00 C ATOM 819 C LYS A 80 -8.595 5.651 2.128 1.00 0.00 C ATOM 820 O LYS A 80 -9.267 4.817 2.715 1.00 0.00 O ATOM 821 CB LYS A 80 -9.779 7.584 0.915 1.00 0.00 C ATOM 822 CG LYS A 80 -9.388 6.973 -0.429 1.00 0.00 C ATOM 823 CD LYS A 80 -10.082 7.743 -1.583 1.00 0.00 C ATOM 824 CE LYS A 80 -9.122 8.742 -2.244 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.661 9.408 -3.451 1.00 0.00 N ATOM 0 H LYS A 80 -7.622 8.632 1.806 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.768 7.159 2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.842 7.399 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.651 8.664 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.306 7.011 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.675 5.922 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.444 7.035 -2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.953 8.273 -1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.853 9.505 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.204 8.220 -2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.034 10.192 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.717 8.722 -4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.611 9.779 -3.248 1.00 0.00 H new ATOM 839 N ALA A 81 -7.446 5.345 1.527 1.00 0.00 N ATOM 840 CA ALA A 81 -6.934 3.980 1.448 1.00 0.00 C ATOM 841 C ALA A 81 -6.708 3.411 2.857 1.00 0.00 C ATOM 842 O ALA A 81 -7.063 2.264 3.125 1.00 0.00 O ATOM 843 CB ALA A 81 -5.656 3.922 0.587 1.00 0.00 C ATOM 0 H ALA A 81 -6.844 6.038 1.081 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.678 3.353 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.293 2.895 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.880 4.271 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.890 4.559 1.030 1.00 0.00 H new ATOM 849 N ILE A 82 -6.196 4.227 3.795 1.00 0.00 N ATOM 850 CA ILE A 82 -6.058 3.854 5.208 1.00 0.00 C ATOM 851 C ILE A 82 -7.414 3.428 5.771 1.00 0.00 C ATOM 852 O ILE A 82 -7.593 2.285 6.196 1.00 0.00 O ATOM 853 CB ILE A 82 -5.442 4.975 6.076 1.00 0.00 C ATOM 854 CG1 ILE A 82 -3.978 5.286 5.708 1.00 0.00 C ATOM 855 CG2 ILE A 82 -5.483 4.636 7.579 1.00 0.00 C ATOM 856 CD1 ILE A 82 -3.671 6.761 5.951 1.00 0.00 C ATOM 0 H ILE A 82 -5.865 5.170 3.589 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.362 3.016 5.247 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.059 5.849 5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.307 4.666 6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.799 5.038 4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.039 5.453 8.148 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.518 4.495 7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.921 3.720 7.761 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.633 6.965 5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.330 7.376 5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.830 6.997 7.003 1.00 0.00 H new ATOM 868 N GLU A 83 -8.398 4.326 5.740 1.00 0.00 N ATOM 869 CA GLU A 83 -9.719 4.033 6.297 1.00 0.00 C ATOM 870 C GLU A 83 -10.421 2.854 5.592 1.00 0.00 C ATOM 871 O GLU A 83 -11.123 2.067 6.231 1.00 0.00 O ATOM 872 CB GLU A 83 -10.576 5.302 6.272 1.00 0.00 C ATOM 873 CG GLU A 83 -10.035 6.406 7.189 1.00 0.00 C ATOM 874 CD GLU A 83 -10.081 6.015 8.681 1.00 0.00 C ATOM 875 OE1 GLU A 83 -11.159 6.139 9.313 1.00 0.00 O ATOM 876 OE2 GLU A 83 -9.040 5.591 9.242 1.00 0.00 O ATOM 0 H GLU A 83 -8.307 5.259 5.337 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.584 3.713 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.629 5.679 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.594 5.053 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.007 6.634 6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.616 7.316 7.038 1.00 0.00 H new ATOM 883 N GLU A 84 -10.170 2.671 4.290 1.00 0.00 N ATOM 884 CA GLU A 84 -10.791 1.651 3.433 1.00 0.00 C ATOM 885 C GLU A 84 -10.212 0.246 3.649 1.00 0.00 C ATOM 886 O GLU A 84 -10.964 -0.732 3.658 1.00 0.00 O ATOM 887 CB GLU A 84 -10.553 1.993 1.949 1.00 0.00 C ATOM 888 CG GLU A 84 -11.368 3.168 1.381 1.00 0.00 C ATOM 889 CD GLU A 84 -12.748 2.722 0.858 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.604 2.293 1.670 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.996 2.810 -0.363 1.00 0.00 O ATOM 0 H GLU A 84 -9.502 3.252 3.783 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.848 1.650 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.494 2.214 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.771 1.106 1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.502 3.923 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.809 3.638 0.571 1.00 0.00 H new ATOM 898 N VAL A 85 -8.885 0.128 3.824 1.00 0.00 N ATOM 899 CA VAL A 85 -8.187 -1.169 3.728 1.00 0.00 C ATOM 900 C VAL A 85 -6.908 -1.312 4.585 1.00 0.00 C ATOM 901 O VAL A 85 -6.297 -2.378 4.607 1.00 0.00 O ATOM 902 CB VAL A 85 -8.012 -1.487 2.217 1.00 0.00 C ATOM 903 CG1 VAL A 85 -7.027 -0.560 1.506 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.716 -2.957 1.930 1.00 0.00 C ATOM 0 H VAL A 85 -8.272 0.916 4.033 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.804 -1.937 4.194 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.992 -1.282 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.956 -0.842 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.376 0.470 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.045 -0.646 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.607 -3.103 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.793 -3.247 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.537 -3.572 2.298 1.00 0.00 H new ATOM 914 N HIS A 86 -6.518 -0.318 5.400 1.00 0.00 N ATOM 915 CA HIS A 86 -5.456 -0.501 6.416 1.00 0.00 C ATOM 916 C HIS A 86 -5.923 -1.383 7.573 1.00 0.00 C ATOM 917 O HIS A 86 -6.949 -1.111 8.202 1.00 0.00 O ATOM 918 CB HIS A 86 -5.002 0.836 7.008 1.00 0.00 C ATOM 919 CG HIS A 86 -3.788 0.761 7.902 1.00 0.00 C ATOM 920 ND1 HIS A 86 -2.547 1.268 7.606 1.00 0.00 N ATOM 921 CD2 HIS A 86 -3.715 0.253 9.175 1.00 0.00 C ATOM 922 CE1 HIS A 86 -1.736 1.055 8.654 1.00 0.00 C ATOM 923 NE2 HIS A 86 -2.404 0.431 9.644 1.00 0.00 N ATOM 0 H HIS A 86 -6.918 0.620 5.379 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.628 -0.980 5.894 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.790 1.524 6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.828 1.263 7.578 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.285 1.730 6.735 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.526 -0.205 9.722 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.696 1.343 8.698 1.00 0.00 H new ATOM 931 N GLY A 87 -5.156 -2.428 7.887 1.00 0.00 N ATOM 932 CA GLY A 87 -5.325 -3.285 9.070 1.00 0.00 C ATOM 933 C GLY A 87 -6.336 -4.404 8.828 1.00 0.00 C ATOM 934 O GLY A 87 -6.469 -5.340 9.615 1.00 0.00 O ATOM 0 H GLY A 87 -4.369 -2.715 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.363 -3.719 9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.652 -2.677 9.914 1.00 0.00 H new ATOM 938 N LYS A 88 -7.026 -4.303 7.685 1.00 0.00 N ATOM 939 CA LYS A 88 -7.880 -5.299 7.080 1.00 0.00 C ATOM 940 C LYS A 88 -7.012 -6.393 6.467 1.00 0.00 C ATOM 941 O LYS A 88 -5.973 -6.127 5.860 1.00 0.00 O ATOM 942 CB LYS A 88 -8.714 -4.587 6.010 1.00 0.00 C ATOM 943 CG LYS A 88 -10.042 -4.019 6.551 1.00 0.00 C ATOM 944 CD LYS A 88 -9.935 -2.796 7.485 1.00 0.00 C ATOM 945 CE LYS A 88 -9.896 -1.479 6.703 1.00 0.00 C ATOM 946 NZ LYS A 88 -9.669 -0.299 7.573 1.00 0.00 N ATOM 0 H LYS A 88 -6.990 -3.451 7.126 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.540 -5.767 7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.127 -3.775 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.928 -5.286 5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.668 -3.746 5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.560 -4.814 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.784 -2.787 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.035 -2.883 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.105 -1.530 5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.836 -1.353 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.901 0.569 7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.275 -0.367 8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.671 -0.270 7.865 1.00 0.00 H new ATOM 960 N SER A 89 -7.448 -7.626 6.666 1.00 0.00 N ATOM 961 CA SER A 89 -6.698 -8.849 6.371 1.00 0.00 C ATOM 962 C SER A 89 -6.866 -9.279 4.912 1.00 0.00 C ATOM 963 O SER A 89 -7.916 -9.802 4.521 1.00 0.00 O ATOM 964 CB SER A 89 -7.096 -9.958 7.355 1.00 0.00 C ATOM 965 OG SER A 89 -8.505 -10.180 7.388 1.00 0.00 O ATOM 0 H SER A 89 -8.372 -7.817 7.053 1.00 0.00 H new ATOM 0 HA SER A 89 -5.635 -8.646 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.592 -10.884 7.077 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.750 -9.694 8.354 1.00 0.00 H new ATOM 0 HG SER A 89 -8.866 -10.127 6.478 1.00 0.00 H new ATOM 971 N PHE A 90 -5.835 -9.073 4.088 1.00 0.00 N ATOM 972 CA PHE A 90 -5.802 -9.556 2.704 1.00 0.00 C ATOM 973 C PHE A 90 -4.905 -10.802 2.596 1.00 0.00 C ATOM 974 O PHE A 90 -3.912 -10.910 3.311 1.00 0.00 O ATOM 975 CB PHE A 90 -5.303 -8.401 1.843 1.00 0.00 C ATOM 976 CG PHE A 90 -5.619 -8.585 0.379 1.00 0.00 C ATOM 977 CD1 PHE A 90 -4.811 -9.413 -0.415 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.787 -8.010 -0.151 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.189 -9.700 -1.733 1.00 0.00 C ATOM 980 CE2 PHE A 90 -7.160 -8.288 -1.473 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.371 -9.147 -2.259 1.00 0.00 C ATOM 0 H PHE A 90 -4.995 -8.564 4.363 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.789 -9.865 2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.753 -7.472 2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.225 -8.300 1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.900 -9.828 -0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.394 -7.357 0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.574 -10.344 -2.344 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -8.052 -7.843 -1.888 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.673 -9.383 -3.269 1.00 0.00 H new ATOM 991 N ALA A 91 -5.231 -11.746 1.702 1.00 0.00 N ATOM 992 CA ALA A 91 -4.594 -13.067 1.544 1.00 0.00 C ATOM 993 C ALA A 91 -4.663 -13.973 2.793 1.00 0.00 C ATOM 994 O ALA A 91 -5.310 -15.022 2.787 1.00 0.00 O ATOM 995 CB ALA A 91 -3.141 -12.879 1.051 1.00 0.00 C ATOM 0 H ALA A 91 -5.987 -11.604 1.032 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.175 -13.607 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.668 -13.854 0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.146 -12.360 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.583 -12.290 1.779 1.00 0.00 H new ATOM 1001 N ASN A 92 -3.974 -13.559 3.863 1.00 0.00 N ATOM 1002 CA ASN A 92 -3.832 -14.214 5.166 1.00 0.00 C ATOM 1003 C ASN A 92 -3.376 -13.250 6.302 1.00 0.00 C ATOM 1004 O ASN A 92 -3.248 -13.692 7.447 1.00 0.00 O ATOM 1005 CB ASN A 92 -2.886 -15.439 5.017 1.00 0.00 C ATOM 1006 CG ASN A 92 -1.434 -15.133 4.663 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -0.505 -15.433 5.398 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.168 -14.528 3.526 1.00 0.00 N ATOM 0 H ASN A 92 -3.457 -12.680 3.835 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.819 -14.555 5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.899 -15.997 5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.294 -16.095 4.248 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.202 -14.319 3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.928 -14.268 2.897 1.00 0.00 H new ATOM 1015 N GLN A 93 -3.095 -11.961 6.021 1.00 0.00 N ATOM 1016 CA GLN A 93 -2.469 -10.998 6.964 1.00 0.00 C ATOM 1017 C GLN A 93 -2.866 -9.544 6.617 1.00 0.00 C ATOM 1018 O GLN A 93 -3.312 -9.265 5.501 1.00 0.00 O ATOM 1019 CB GLN A 93 -0.919 -11.133 6.998 1.00 0.00 C ATOM 1020 CG GLN A 93 -0.309 -12.287 6.183 1.00 0.00 C ATOM 1021 CD GLN A 93 1.206 -12.433 6.282 1.00 0.00 C ATOM 1022 OE1 GLN A 93 1.948 -11.523 6.631 1.00 0.00 O ATOM 1023 NE2 GLN A 93 1.719 -13.600 5.955 1.00 0.00 N ATOM 0 H GLN A 93 -3.300 -11.546 5.112 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.846 -11.242 7.957 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.488 -10.198 6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.610 -11.249 8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.768 -13.220 6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.575 -12.149 5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.107 -14.362 5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.728 -13.742 5.993 1.00 0.00 H new ATOM 1032 N PRO A 94 -2.739 -8.590 7.553 1.00 0.00 N ATOM 1033 CA PRO A 94 -3.149 -7.214 7.307 1.00 0.00 C ATOM 1034 C PRO A 94 -2.152 -6.358 6.520 1.00 0.00 C ATOM 1035 O PRO A 94 -0.964 -6.654 6.371 1.00 0.00 O ATOM 1036 CB PRO A 94 -3.404 -6.622 8.695 1.00 0.00 C ATOM 1037 CG PRO A 94 -2.419 -7.385 9.575 1.00 0.00 C ATOM 1038 CD PRO A 94 -2.435 -8.783 8.966 1.00 0.00 C ATOM 0 HA PRO A 94 -4.028 -7.215 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.218 -5.548 8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.435 -6.774 9.016 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.423 -6.942 9.546 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.733 -7.395 10.619 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.473 -9.279 9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.185 -9.412 9.446 1.00 0.00 H new ATOM 1046 N LEU A 95 -2.708 -5.253 6.031 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.135 -4.259 5.136 1.00 0.00 C ATOM 1048 C LEU A 95 -1.689 -3.003 5.888 1.00 0.00 C ATOM 1049 O LEU A 95 -2.456 -2.429 6.659 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.272 -3.956 4.137 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.288 -4.864 2.901 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.862 -6.290 3.090 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -4.603 -4.888 2.154 1.00 0.00 C ATOM 0 H LEU A 95 -3.667 -5.010 6.278 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.232 -4.618 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.227 -4.049 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.186 -2.920 3.810 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.518 -4.363 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.921 -6.817 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.836 -6.318 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.519 -6.773 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.522 -5.555 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.392 -5.244 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.844 -3.882 1.810 1.00 0.00 H new ATOM 1065 N GLU A 96 -0.477 -2.532 5.587 1.00 0.00 N ATOM 1066 CA GLU A 96 0.117 -1.311 6.176 1.00 0.00 C ATOM 1067 C GLU A 96 0.035 -0.152 5.158 1.00 0.00 C ATOM 1068 O GLU A 96 0.993 0.527 4.777 1.00 0.00 O ATOM 1069 CB GLU A 96 1.525 -1.591 6.721 1.00 0.00 C ATOM 1070 CG GLU A 96 1.916 -0.591 7.813 1.00 0.00 C ATOM 1071 CD GLU A 96 3.433 -0.632 8.070 1.00 0.00 C ATOM 1072 OE1 GLU A 96 3.975 -1.744 8.296 1.00 0.00 O ATOM 1073 OE2 GLU A 96 4.084 0.439 8.036 1.00 0.00 O ATOM 0 H GLU A 96 0.138 -2.991 4.915 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.456 -0.992 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.566 -2.604 7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.248 -1.542 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.620 0.415 7.515 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.380 -0.822 8.733 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.184 0.016 4.659 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.605 1.032 3.685 1.00 0.00 C ATOM 1082 C VAL A 97 -1.451 2.373 4.357 1.00 0.00 C ATOM 1083 O VAL A 97 -2.263 2.700 5.228 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.086 0.818 3.362 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.741 1.918 2.533 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.268 -0.491 2.597 1.00 0.00 C ATOM 0 H VAL A 97 -1.957 -0.588 4.937 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.015 0.973 2.770 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.575 0.814 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.788 1.669 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.677 2.865 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.227 2.007 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.324 -0.636 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.700 -0.451 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.910 -1.321 3.206 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.386 3.113 4.061 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.065 4.229 4.967 1.00 0.00 C ATOM 1098 C VAL A 98 0.716 5.362 4.291 1.00 0.00 C ATOM 1099 O VAL A 98 0.336 5.877 3.234 1.00 0.00 O ATOM 1100 CB VAL A 98 0.530 3.565 6.258 1.00 0.00 C ATOM 1101 CG1 VAL A 98 2.036 3.267 6.394 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.125 4.185 7.483 1.00 0.00 C ATOM 0 H VAL A 98 0.235 2.983 3.262 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.939 4.805 5.271 1.00 0.00 H new ATOM 0 HB VAL A 98 0.255 2.517 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.230 2.808 7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.345 2.585 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.600 4.196 6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.284 3.728 8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.072 5.257 7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.201 4.015 7.446 1.00 0.00 H new ATOM 1112 N TYR A 99 1.821 5.757 4.898 1.00 0.00 N ATOM 1113 CA TYR A 99 2.875 6.608 4.351 1.00 0.00 C ATOM 1114 C TYR A 99 4.139 5.749 4.060 1.00 0.00 C ATOM 1115 O TYR A 99 5.245 6.239 3.876 1.00 0.00 O ATOM 1116 CB TYR A 99 3.087 7.752 5.345 1.00 0.00 C ATOM 1117 CG TYR A 99 1.854 8.556 5.758 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.721 8.671 4.924 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.861 9.236 6.996 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.382 9.457 5.304 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.759 10.025 7.377 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.366 10.141 6.533 1.00 0.00 C ATOM 1123 OH TYR A 99 -1.417 10.920 6.910 1.00 0.00 O ATOM 0 H TYR A 99 2.025 5.473 5.856 1.00 0.00 H new ATOM 0 HA TYR A 99 2.612 7.052 3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.537 7.337 6.247 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.812 8.443 4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.701 8.147 3.980 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.714 9.150 7.652 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.240 9.535 4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.775 10.546 8.323 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.233 11.314 7.788 1.00 0.00 H new ATOM 1133 N SER A 100 3.954 4.432 3.998 1.00 0.00 N ATOM 1134 CA SER A 100 4.909 3.325 3.882 1.00 0.00 C ATOM 1135 C SER A 100 6.082 3.226 4.880 1.00 0.00 C ATOM 1136 O SER A 100 6.975 2.390 4.716 1.00 0.00 O ATOM 1137 CB SER A 100 5.202 3.012 2.424 1.00 0.00 C ATOM 1138 OG SER A 100 6.290 2.163 2.129 1.00 0.00 O ATOM 0 H SER A 100 3.003 4.065 4.032 1.00 0.00 H new ATOM 0 HA SER A 100 4.376 2.469 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.306 2.566 1.993 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.368 3.957 1.908 1.00 0.00 H new ATOM 0 HG SER A 100 6.809 2.002 2.944 1.00 0.00 H new