USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 988 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 Single : A 1 MET CE :methyl -117:sc= -0.0199 (180deg=-0.646) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.3 (180deg=0.8) USER MOD Single : A 2 LYS NZ :NH3+ 146:sc= -0.614 (180deg=-0.802) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -67:sc= 1.22 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1.14 K(o=1.1,f=-0.57) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00414 USER MOD Single : A 26 SER OG : rot 124:sc= 0.42 USER MOD Single : A 29 SER OG : rot 180:sc=-0.000972 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-6.3!) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 40 SER OG : rot 180:sc= -0.109 USER MOD Single : A 43 SER OG : rot -103:sc= 1.14 USER MOD Single : A 47 THR OG1 : rot 80:sc= 1.05 USER MOD Single : A 52 HIS : no HD1:sc= -0.316 X(o=-0.32,f=0.048) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0.294 (180deg=0.118) USER MOD Single : A 65 ASN : amide:sc= -0.167 K(o=-0.17,f=-4.2!) USER MOD Single : A 77 GLN : amide:sc= -2.98! C(o=-3!,f=-4.9!) USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -9.73! (180deg=-10.8!) USER MOD Single : A 85 MET CE :methyl -154:sc= -0.247 (180deg=-0.907) USER MOD Single : A 91 GLN : amide:sc= -0.987 K(o=-0.99,f=0) USER MOD Single : A 94 MET CE :methyl -135:sc= -0.56 (180deg=-4.68!) USER MOD Single : A 100 THR OG1 : rot -28:sc= 0.0621 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HE2:sc= -1.55 K(o=-1.6,f=-2.8!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.016) USER MOD Single : A 143 THR OG1 : rot -96:sc= 1.12 USER MOD Single : A 149 HIS : no HD1:sc= -0.082 K(o=-0.082,f=-0.6) USER MOD Single : A 151 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.783 -19.491 7.288 1.00 0.00 N ATOM 2 CA MET A 1 11.281 -19.545 5.898 1.00 0.00 C ATOM 3 C MET A 1 11.335 -18.161 5.280 1.00 0.00 C ATOM 4 O MET A 1 11.189 -17.159 5.974 1.00 0.00 O ATOM 5 CB MET A 1 9.836 -20.062 5.852 1.00 0.00 C ATOM 6 CG MET A 1 8.814 -19.072 6.393 1.00 0.00 C ATOM 7 SD MET A 1 9.020 -18.764 8.160 1.00 0.00 S ATOM 8 CE MET A 1 8.053 -17.272 8.365 1.00 0.00 C ATOM 0 H1 MET A 1 12.017 -20.452 7.610 1.00 0.00 H new ATOM 0 H2 MET A 1 12.635 -18.896 7.327 1.00 0.00 H new ATOM 0 H3 MET A 1 11.050 -19.087 7.906 1.00 0.00 H new ATOM 0 HA MET A 1 11.915 -20.231 5.335 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.580 -20.308 4.821 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.772 -20.987 6.426 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.902 -18.131 5.851 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.810 -19.454 6.208 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.703 -16.458 8.687 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.584 -17.009 7.417 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.282 -17.439 9.117 1.00 0.00 H new ATOM 20 N LYS A 2 11.536 -18.106 3.980 1.00 0.00 N ATOM 21 CA LYS A 2 11.570 -16.845 3.264 1.00 0.00 C ATOM 22 C LYS A 2 10.720 -16.940 2.019 1.00 0.00 C ATOM 23 O LYS A 2 10.333 -18.027 1.604 1.00 0.00 O ATOM 24 CB LYS A 2 13.000 -16.473 2.879 1.00 0.00 C ATOM 25 CG LYS A 2 13.750 -17.614 2.218 1.00 0.00 C ATOM 26 CD LYS A 2 15.137 -17.203 1.765 1.00 0.00 C ATOM 27 CE LYS A 2 15.082 -16.263 0.581 1.00 0.00 C ATOM 28 NZ LYS A 2 16.444 -15.906 0.102 1.00 0.00 N ATOM 0 H LYS A 2 11.680 -18.927 3.392 1.00 0.00 H new ATOM 0 HA LYS A 2 11.175 -16.069 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.978 -15.619 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.541 -16.158 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.830 -18.447 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.181 -17.972 1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.661 -16.720 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.711 -18.091 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.521 -16.730 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.544 -15.357 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.428 -15.786 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.747 -15.017 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.110 -16.664 0.352 1.00 0.00 H new ATOM 42 N VAL A 3 10.437 -15.796 1.435 1.00 0.00 N ATOM 43 CA VAL A 3 9.646 -15.726 0.221 1.00 0.00 C ATOM 44 C VAL A 3 10.442 -16.228 -0.983 1.00 0.00 C ATOM 45 O VAL A 3 11.469 -15.653 -1.360 1.00 0.00 O ATOM 46 CB VAL A 3 9.153 -14.286 -0.018 1.00 0.00 C ATOM 47 CG1 VAL A 3 10.266 -13.306 0.297 1.00 0.00 C ATOM 48 CG2 VAL A 3 8.656 -14.093 -1.446 1.00 0.00 C ATOM 0 H VAL A 3 10.747 -14.889 1.785 1.00 0.00 H new ATOM 0 HA VAL A 3 8.779 -16.374 0.344 1.00 0.00 H new ATOM 0 HB VAL A 3 8.310 -14.099 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.914 -12.289 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.564 -13.417 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.121 -13.507 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.316 -13.066 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.467 -14.299 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.829 -14.776 -1.639 1.00 0.00 H new ATOM 58 N ALA A 4 9.966 -17.317 -1.563 1.00 0.00 N ATOM 59 CA ALA A 4 10.573 -17.889 -2.751 1.00 0.00 C ATOM 60 C ALA A 4 9.499 -18.487 -3.648 1.00 0.00 C ATOM 61 O ALA A 4 8.305 -18.287 -3.410 1.00 0.00 O ATOM 62 CB ALA A 4 11.605 -18.940 -2.370 1.00 0.00 C ATOM 0 H ALA A 4 9.150 -17.827 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 4 11.084 -17.098 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 4 12.049 -19.358 -3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.384 -18.481 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.122 -19.735 -1.802 1.00 0.00 H new ATOM 68 N LYS A 5 9.920 -19.205 -4.677 1.00 0.00 N ATOM 69 CA LYS A 5 9.001 -19.847 -5.599 1.00 0.00 C ATOM 70 C LYS A 5 8.193 -20.930 -4.874 1.00 0.00 C ATOM 71 O LYS A 5 8.606 -21.392 -3.813 1.00 0.00 O ATOM 72 CB LYS A 5 9.802 -20.433 -6.764 1.00 0.00 C ATOM 73 CG LYS A 5 8.947 -20.937 -7.903 1.00 0.00 C ATOM 74 CD LYS A 5 9.786 -21.483 -9.040 1.00 0.00 C ATOM 75 CE LYS A 5 8.915 -21.991 -10.174 1.00 0.00 C ATOM 76 NZ LYS A 5 9.714 -22.328 -11.378 1.00 0.00 N ATOM 0 H LYS A 5 10.905 -19.358 -4.895 1.00 0.00 H new ATOM 0 HA LYS A 5 8.291 -19.118 -5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.483 -19.671 -7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.416 -21.253 -6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.279 -21.717 -7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.319 -20.126 -8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.451 -20.703 -9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.417 -22.292 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.367 -22.873 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.174 -21.233 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.082 -22.671 -12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.217 -21.480 -11.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.404 -23.069 -11.141 1.00 0.00 H new ATOM 90 N ASP A 6 7.029 -21.280 -5.441 1.00 0.00 N ATOM 91 CA ASP A 6 6.085 -22.288 -4.901 1.00 0.00 C ATOM 92 C ASP A 6 5.631 -22.007 -3.459 1.00 0.00 C ATOM 93 O ASP A 6 4.843 -22.766 -2.888 1.00 0.00 O ATOM 94 CB ASP A 6 6.610 -23.737 -5.055 1.00 0.00 C ATOM 95 CG ASP A 6 7.827 -24.091 -4.212 1.00 0.00 C ATOM 96 OD1 ASP A 6 7.662 -24.442 -3.027 1.00 0.00 O ATOM 97 OD2 ASP A 6 8.958 -24.063 -4.756 1.00 0.00 O ATOM 0 H ASP A 6 6.703 -20.862 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 6 5.194 -22.192 -5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.803 -24.425 -4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.856 -23.905 -6.104 1.00 0.00 H new ATOM 102 N LEU A 7 6.114 -20.925 -2.879 1.00 0.00 N ATOM 103 CA LEU A 7 5.683 -20.536 -1.550 1.00 0.00 C ATOM 104 C LEU A 7 4.575 -19.496 -1.611 1.00 0.00 C ATOM 105 O LEU A 7 4.791 -18.361 -2.043 1.00 0.00 O ATOM 106 CB LEU A 7 6.862 -20.009 -0.727 1.00 0.00 C ATOM 107 CG LEU A 7 8.074 -20.945 -0.647 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.019 -20.503 0.452 1.00 0.00 C ATOM 109 CD2 LEU A 7 7.633 -22.376 -0.411 1.00 0.00 C ATOM 0 H LEU A 7 6.801 -20.303 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 7 5.287 -21.425 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.185 -19.059 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.514 -19.804 0.286 1.00 0.00 H new ATOM 0 HG LEU A 7 8.600 -20.897 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.872 -21.180 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.368 -19.491 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.497 -20.519 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.509 -23.023 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.080 -22.436 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.993 -22.699 -1.232 1.00 0.00 H new ATOM 121 N VAL A 8 3.373 -19.915 -1.223 1.00 0.00 N ATOM 122 CA VAL A 8 2.258 -18.999 -1.028 1.00 0.00 C ATOM 123 C VAL A 8 2.670 -17.883 -0.073 1.00 0.00 C ATOM 124 O VAL A 8 3.408 -18.110 0.890 1.00 0.00 O ATOM 125 CB VAL A 8 1.023 -19.746 -0.459 1.00 0.00 C ATOM 126 CG1 VAL A 8 -0.046 -18.776 0.011 1.00 0.00 C ATOM 127 CG2 VAL A 8 0.436 -20.693 -1.489 1.00 0.00 C ATOM 0 H VAL A 8 3.148 -20.892 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 8 1.988 -18.573 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 8 1.367 -20.324 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.896 -19.334 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.362 -18.137 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.372 -18.160 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.428 -21.203 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.127 -20.128 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.187 -21.429 -1.776 1.00 0.00 H new ATOM 137 N VAL A 9 2.184 -16.685 -0.333 1.00 0.00 N ATOM 138 CA VAL A 9 2.570 -15.525 0.427 1.00 0.00 C ATOM 139 C VAL A 9 1.373 -14.609 0.636 1.00 0.00 C ATOM 140 O VAL A 9 0.611 -14.340 -0.296 1.00 0.00 O ATOM 141 CB VAL A 9 3.697 -14.763 -0.310 1.00 0.00 C ATOM 142 CG1 VAL A 9 3.787 -13.332 0.168 1.00 0.00 C ATOM 143 CG2 VAL A 9 5.037 -15.463 -0.135 1.00 0.00 C ATOM 0 H VAL A 9 1.512 -16.494 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 9 2.937 -15.849 1.401 1.00 0.00 H new ATOM 0 HB VAL A 9 3.449 -14.756 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.587 -12.820 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.841 -12.825 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.998 -13.318 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.810 -14.906 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.286 -15.513 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.976 -16.473 -0.541 1.00 0.00 H new ATOM 153 N SER A 10 1.218 -14.145 1.860 1.00 0.00 N ATOM 154 CA SER A 10 0.208 -13.173 2.185 1.00 0.00 C ATOM 155 C SER A 10 0.915 -11.882 2.539 1.00 0.00 C ATOM 156 O SER A 10 1.625 -11.817 3.542 1.00 0.00 O ATOM 157 CB SER A 10 -0.635 -13.660 3.363 1.00 0.00 C ATOM 158 OG SER A 10 -1.092 -14.986 3.155 1.00 0.00 O ATOM 0 H SER A 10 1.791 -14.434 2.653 1.00 0.00 H new ATOM 0 HA SER A 10 -0.462 -13.019 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.045 -13.616 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.488 -12.996 3.501 1.00 0.00 H new ATOM 0 HG SER A 10 -1.731 -14.999 2.412 1.00 0.00 H new ATOM 164 N LEU A 11 0.776 -10.870 1.710 1.00 0.00 N ATOM 165 CA LEU A 11 1.456 -9.618 1.958 1.00 0.00 C ATOM 166 C LEU A 11 0.469 -8.475 1.888 1.00 0.00 C ATOM 167 O LEU A 11 -0.601 -8.613 1.319 1.00 0.00 O ATOM 168 CB LEU A 11 2.602 -9.412 0.966 1.00 0.00 C ATOM 169 CG LEU A 11 2.192 -9.178 -0.483 1.00 0.00 C ATOM 170 CD1 LEU A 11 2.273 -7.699 -0.810 1.00 0.00 C ATOM 171 CD2 LEU A 11 3.066 -9.994 -1.419 1.00 0.00 C ATOM 0 H LEU A 11 0.204 -10.889 0.866 1.00 0.00 H new ATOM 0 HA LEU A 11 1.888 -9.647 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.196 -8.560 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.251 -10.287 1.003 1.00 0.00 H new ATOM 0 HG LEU A 11 1.161 -9.504 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.979 -7.539 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.603 -7.144 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.295 -7.350 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.760 -9.816 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.108 -9.699 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.958 -11.053 -1.187 1.00 0.00 H new ATOM 183 N ALA A 12 0.829 -7.349 2.451 1.00 0.00 N ATOM 184 CA ALA A 12 -0.016 -6.184 2.404 1.00 0.00 C ATOM 185 C ALA A 12 0.753 -5.130 1.650 1.00 0.00 C ATOM 186 O ALA A 12 1.980 -5.117 1.709 1.00 0.00 O ATOM 187 CB ALA A 12 -0.367 -5.708 3.805 1.00 0.00 C ATOM 0 H ALA A 12 1.708 -7.215 2.950 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.961 -6.406 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.006 -4.827 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.894 -6.500 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.547 -5.455 4.343 1.00 0.00 H new ATOM 193 N TYR A 13 0.080 -4.279 0.915 1.00 0.00 N ATOM 194 CA TYR A 13 0.795 -3.308 0.118 1.00 0.00 C ATOM 195 C TYR A 13 -0.097 -2.153 -0.278 1.00 0.00 C ATOM 196 O TYR A 13 -1.323 -2.249 -0.246 1.00 0.00 O ATOM 197 CB TYR A 13 1.402 -3.961 -1.135 1.00 0.00 C ATOM 198 CG TYR A 13 0.395 -4.404 -2.182 1.00 0.00 C ATOM 199 CD1 TYR A 13 -0.282 -5.615 -2.068 1.00 0.00 C ATOM 200 CD2 TYR A 13 0.140 -3.616 -3.298 1.00 0.00 C ATOM 201 CE1 TYR A 13 -1.185 -6.022 -3.037 1.00 0.00 C ATOM 202 CE2 TYR A 13 -0.755 -4.018 -4.269 1.00 0.00 C ATOM 203 CZ TYR A 13 -1.413 -5.221 -4.134 1.00 0.00 C ATOM 204 OH TYR A 13 -2.295 -5.629 -5.107 1.00 0.00 O ATOM 0 H TYR A 13 -0.937 -4.236 0.850 1.00 0.00 H new ATOM 0 HA TYR A 13 1.605 -2.918 0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.094 -3.255 -1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.988 -4.827 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.101 -6.247 -1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.652 -2.671 -3.408 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.707 -6.962 -2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.939 -3.393 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.342 -4.949 -5.811 1.00 0.00 H new ATOM 214 N GLN A 14 0.537 -1.074 -0.675 1.00 0.00 N ATOM 215 CA GLN A 14 -0.164 0.107 -1.125 1.00 0.00 C ATOM 216 C GLN A 14 0.487 0.580 -2.410 1.00 0.00 C ATOM 217 O GLN A 14 1.683 0.858 -2.429 1.00 0.00 O ATOM 218 CB GLN A 14 -0.102 1.201 -0.059 1.00 0.00 C ATOM 219 CG GLN A 14 -1.184 2.253 -0.208 1.00 0.00 C ATOM 220 CD GLN A 14 -1.069 3.368 0.811 1.00 0.00 C ATOM 221 OE1 GLN A 14 0.030 3.747 1.221 1.00 0.00 O ATOM 222 NE2 GLN A 14 -2.206 3.875 1.257 1.00 0.00 N ATOM 0 H GLN A 14 1.553 -0.990 -0.695 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.214 -0.124 -1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.186 0.742 0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.873 1.686 -0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.135 2.678 -1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.160 1.778 -0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.095 3.533 0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.194 4.608 1.967 1.00 0.00 H new ATOM 231 N VAL A 15 -0.284 0.649 -3.481 1.00 0.00 N ATOM 232 CA VAL A 15 0.272 1.010 -4.773 1.00 0.00 C ATOM 233 C VAL A 15 -0.267 2.353 -5.254 1.00 0.00 C ATOM 234 O VAL A 15 -1.476 2.572 -5.333 1.00 0.00 O ATOM 235 CB VAL A 15 0.050 -0.091 -5.845 1.00 0.00 C ATOM 236 CG1 VAL A 15 -1.383 -0.578 -5.873 1.00 0.00 C ATOM 237 CG2 VAL A 15 0.457 0.409 -7.216 1.00 0.00 C ATOM 0 H VAL A 15 -1.287 0.462 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 15 1.349 1.104 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 15 0.681 -0.937 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.491 -1.347 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.645 -0.994 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.046 0.256 -6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.294 -0.377 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.142 1.282 -7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.512 0.683 -7.205 1.00 0.00 H new ATOM 247 N ARG A 16 0.655 3.243 -5.572 1.00 0.00 N ATOM 248 CA ARG A 16 0.332 4.575 -6.048 1.00 0.00 C ATOM 249 C ARG A 16 1.362 4.973 -7.087 1.00 0.00 C ATOM 250 O ARG A 16 2.309 4.232 -7.341 1.00 0.00 O ATOM 251 CB ARG A 16 0.321 5.572 -4.884 1.00 0.00 C ATOM 252 CG ARG A 16 1.639 5.660 -4.141 1.00 0.00 C ATOM 253 CD ARG A 16 1.455 6.280 -2.765 1.00 0.00 C ATOM 254 NE ARG A 16 2.668 6.194 -1.950 1.00 0.00 N ATOM 255 CZ ARG A 16 2.824 6.802 -0.772 1.00 0.00 C ATOM 256 NH1 ARG A 16 1.860 7.569 -0.278 1.00 0.00 N ATOM 257 NH2 ARG A 16 3.950 6.644 -0.090 1.00 0.00 N ATOM 0 H ARG A 16 1.656 3.060 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.662 4.581 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.064 6.560 -5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.463 5.288 -4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.069 4.664 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.346 6.255 -4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.168 7.326 -2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.637 5.777 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 16 3.443 5.634 -2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.993 7.697 -0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.987 8.030 0.623 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.696 6.058 -0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.070 7.108 0.810 1.00 0.00 H new ATOM 271 N THR A 17 1.180 6.122 -7.687 1.00 0.00 N ATOM 272 CA THR A 17 2.100 6.586 -8.711 1.00 0.00 C ATOM 273 C THR A 17 3.107 7.561 -8.121 1.00 0.00 C ATOM 274 O THR A 17 3.035 7.882 -6.933 1.00 0.00 O ATOM 275 CB THR A 17 1.360 7.257 -9.885 1.00 0.00 C ATOM 276 OG1 THR A 17 0.452 8.252 -9.399 1.00 0.00 O ATOM 277 CG2 THR A 17 0.598 6.230 -10.705 1.00 0.00 C ATOM 0 H THR A 17 0.407 6.757 -7.489 1.00 0.00 H new ATOM 0 HA THR A 17 2.622 5.710 -9.095 1.00 0.00 H new ATOM 0 HB THR A 17 2.106 7.731 -10.523 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.010 8.671 -10.155 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.085 6.729 -11.527 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.295 5.494 -11.106 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.134 5.729 -10.071 1.00 0.00 H new ATOM 285 N GLU A 18 4.035 8.034 -8.942 1.00 0.00 N ATOM 286 CA GLU A 18 4.999 9.034 -8.496 1.00 0.00 C ATOM 287 C GLU A 18 4.284 10.341 -8.160 1.00 0.00 C ATOM 288 O GLU A 18 4.792 11.172 -7.406 1.00 0.00 O ATOM 289 CB GLU A 18 6.059 9.269 -9.573 1.00 0.00 C ATOM 290 CG GLU A 18 6.795 8.004 -9.979 1.00 0.00 C ATOM 291 CD GLU A 18 7.907 8.267 -10.970 1.00 0.00 C ATOM 292 OE1 GLU A 18 7.608 8.526 -12.154 1.00 0.00 O ATOM 293 OE2 GLU A 18 9.088 8.210 -10.574 1.00 0.00 O ATOM 0 H GLU A 18 4.142 7.745 -9.914 1.00 0.00 H new ATOM 0 HA GLU A 18 5.495 8.666 -7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.583 9.702 -10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.781 10.000 -9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.211 7.530 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.086 7.300 -10.414 1.00 0.00 H new ATOM 300 N ASP A 19 3.087 10.499 -8.709 1.00 0.00 N ATOM 301 CA ASP A 19 2.267 11.675 -8.447 1.00 0.00 C ATOM 302 C ASP A 19 1.587 11.557 -7.082 1.00 0.00 C ATOM 303 O ASP A 19 1.139 12.546 -6.503 1.00 0.00 O ATOM 304 CB ASP A 19 1.218 11.836 -9.550 1.00 0.00 C ATOM 305 CG ASP A 19 0.505 13.170 -9.487 1.00 0.00 C ATOM 306 OD1 ASP A 19 1.046 14.158 -10.025 1.00 0.00 O ATOM 307 OD2 ASP A 19 -0.592 13.238 -8.903 1.00 0.00 O ATOM 0 H ASP A 19 2.660 9.823 -9.342 1.00 0.00 H new ATOM 0 HA ASP A 19 2.909 12.556 -8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.700 11.732 -10.522 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.486 11.033 -9.469 1.00 0.00 H new ATOM 312 N GLY A 20 1.532 10.334 -6.562 1.00 0.00 N ATOM 313 CA GLY A 20 0.914 10.099 -5.269 1.00 0.00 C ATOM 314 C GLY A 20 -0.493 9.551 -5.386 1.00 0.00 C ATOM 315 O GLY A 20 -1.189 9.388 -4.385 1.00 0.00 O ATOM 0 H GLY A 20 1.905 9.500 -7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.526 9.399 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.891 11.033 -4.707 1.00 0.00 H new ATOM 319 N VAL A 21 -0.904 9.252 -6.610 1.00 0.00 N ATOM 320 CA VAL A 21 -2.255 8.764 -6.865 1.00 0.00 C ATOM 321 C VAL A 21 -2.382 7.300 -6.477 1.00 0.00 C ATOM 322 O VAL A 21 -1.762 6.437 -7.100 1.00 0.00 O ATOM 323 CB VAL A 21 -2.632 8.901 -8.352 1.00 0.00 C ATOM 324 CG1 VAL A 21 -4.131 8.732 -8.547 1.00 0.00 C ATOM 325 CG2 VAL A 21 -2.156 10.227 -8.907 1.00 0.00 C ATOM 0 H VAL A 21 -0.322 9.338 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.929 9.372 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.131 8.107 -8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.374 8.833 -9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.434 7.745 -8.197 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.660 9.497 -7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.433 10.302 -9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.619 11.042 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.072 10.293 -8.812 1.00 0.00 H new ATOM 335 N LEU A 22 -3.169 7.022 -5.449 1.00 0.00 N ATOM 336 CA LEU A 22 -3.421 5.651 -5.041 1.00 0.00 C ATOM 337 C LEU A 22 -4.259 4.944 -6.091 1.00 0.00 C ATOM 338 O LEU A 22 -5.372 5.367 -6.400 1.00 0.00 O ATOM 339 CB LEU A 22 -4.141 5.608 -3.692 1.00 0.00 C ATOM 340 CG LEU A 22 -4.500 4.203 -3.198 1.00 0.00 C ATOM 341 CD1 LEU A 22 -3.245 3.414 -2.881 1.00 0.00 C ATOM 342 CD2 LEU A 22 -5.413 4.272 -1.982 1.00 0.00 C ATOM 0 H LEU A 22 -3.643 7.727 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.462 5.143 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.511 6.090 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.056 6.196 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.038 3.689 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.520 2.419 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.633 3.327 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.679 3.928 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.654 3.262 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.908 4.808 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.332 4.796 -2.246 1.00 0.00 H new ATOM 354 N VAL A 23 -3.715 3.886 -6.658 1.00 0.00 N ATOM 355 CA VAL A 23 -4.449 3.102 -7.634 1.00 0.00 C ATOM 356 C VAL A 23 -5.107 1.889 -6.979 1.00 0.00 C ATOM 357 O VAL A 23 -6.240 1.540 -7.308 1.00 0.00 O ATOM 358 CB VAL A 23 -3.552 2.651 -8.812 1.00 0.00 C ATOM 359 CG1 VAL A 23 -3.079 3.854 -9.614 1.00 0.00 C ATOM 360 CG2 VAL A 23 -2.365 1.841 -8.320 1.00 0.00 C ATOM 0 H VAL A 23 -2.772 3.550 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.227 3.750 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.149 2.012 -9.462 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.450 3.517 -10.438 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.942 4.388 -10.011 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.506 4.519 -8.968 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.754 1.538 -9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.767 2.448 -7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.722 0.954 -7.796 1.00 0.00 H new ATOM 370 N ASP A 24 -4.404 1.257 -6.043 1.00 0.00 N ATOM 371 CA ASP A 24 -4.933 0.082 -5.357 1.00 0.00 C ATOM 372 C ASP A 24 -4.245 -0.086 -4.006 1.00 0.00 C ATOM 373 O ASP A 24 -3.168 0.467 -3.787 1.00 0.00 O ATOM 374 CB ASP A 24 -4.721 -1.158 -6.230 1.00 0.00 C ATOM 375 CG ASP A 24 -5.480 -2.373 -5.737 1.00 0.00 C ATOM 376 OD1 ASP A 24 -6.725 -2.318 -5.671 1.00 0.00 O ATOM 377 OD2 ASP A 24 -4.835 -3.396 -5.434 1.00 0.00 O ATOM 0 H ASP A 24 -3.470 1.537 -5.743 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.001 0.211 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.032 -0.933 -7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.657 -1.392 -6.265 1.00 0.00 H new ATOM 382 N GLU A 25 -4.857 -0.829 -3.097 1.00 0.00 N ATOM 383 CA GLU A 25 -4.270 -1.030 -1.784 1.00 0.00 C ATOM 384 C GLU A 25 -4.825 -2.272 -1.095 1.00 0.00 C ATOM 385 O GLU A 25 -6.032 -2.505 -1.071 1.00 0.00 O ATOM 386 CB GLU A 25 -4.494 0.202 -0.900 1.00 0.00 C ATOM 387 CG GLU A 25 -4.045 0.012 0.547 1.00 0.00 C ATOM 388 CD GLU A 25 -4.443 1.164 1.447 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.432 2.322 0.986 1.00 0.00 O ATOM 390 OE2 GLU A 25 -4.786 0.911 2.623 1.00 0.00 O ATOM 0 H GLU A 25 -5.751 -1.298 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.200 -1.179 -1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.957 1.048 -1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.553 0.458 -0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.474 -0.911 0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.962 -0.105 0.573 1.00 0.00 H new ATOM 397 N SER A 26 -3.926 -3.063 -0.542 1.00 0.00 N ATOM 398 CA SER A 26 -4.294 -4.170 0.316 1.00 0.00 C ATOM 399 C SER A 26 -3.746 -3.900 1.708 1.00 0.00 C ATOM 400 O SER A 26 -2.541 -4.008 1.938 1.00 0.00 O ATOM 401 CB SER A 26 -3.739 -5.476 -0.240 1.00 0.00 C ATOM 402 OG SER A 26 -4.191 -5.681 -1.567 1.00 0.00 O ATOM 0 H SER A 26 -2.920 -2.956 -0.675 1.00 0.00 H new ATOM 0 HA SER A 26 -5.379 -4.264 0.362 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.649 -5.453 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.052 -6.309 0.390 1.00 0.00 H new ATOM 0 HG SER A 26 -3.420 -5.802 -2.160 1.00 0.00 H new ATOM 408 N PRO A 27 -4.629 -3.519 2.640 1.00 0.00 N ATOM 409 CA PRO A 27 -4.231 -3.068 3.978 1.00 0.00 C ATOM 410 C PRO A 27 -3.619 -4.177 4.823 1.00 0.00 C ATOM 411 O PRO A 27 -3.693 -5.356 4.483 1.00 0.00 O ATOM 412 CB PRO A 27 -5.555 -2.612 4.597 1.00 0.00 C ATOM 413 CG PRO A 27 -6.580 -3.422 3.889 1.00 0.00 C ATOM 414 CD PRO A 27 -6.094 -3.522 2.476 1.00 0.00 C ATOM 0 HA PRO A 27 -3.463 -2.296 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.576 -2.792 5.672 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.718 -1.544 4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.683 -4.409 4.341 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.559 -2.946 3.936 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.446 -4.432 1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.436 -2.684 1.869 1.00 0.00 H new ATOM 422 N VAL A 28 -3.024 -3.782 5.939 1.00 0.00 N ATOM 423 CA VAL A 28 -2.436 -4.726 6.880 1.00 0.00 C ATOM 424 C VAL A 28 -3.519 -5.554 7.552 1.00 0.00 C ATOM 425 O VAL A 28 -3.251 -6.621 8.105 1.00 0.00 O ATOM 426 CB VAL A 28 -1.616 -3.998 7.960 1.00 0.00 C ATOM 427 CG1 VAL A 28 -0.569 -3.120 7.309 1.00 0.00 C ATOM 428 CG2 VAL A 28 -2.515 -3.169 8.868 1.00 0.00 C ATOM 0 H VAL A 28 -2.935 -2.805 6.217 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.773 -5.381 6.314 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.120 -4.748 8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.007 -2.608 8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.098 -3.736 6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.057 -2.383 6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.908 -2.666 9.621 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.045 -2.425 8.274 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.236 -3.822 9.360 1.00 0.00 H new ATOM 438 N SER A 29 -4.738 -5.044 7.498 1.00 0.00 N ATOM 439 CA SER A 29 -5.880 -5.721 8.082 1.00 0.00 C ATOM 440 C SER A 29 -6.315 -6.892 7.201 1.00 0.00 C ATOM 441 O SER A 29 -6.665 -7.961 7.702 1.00 0.00 O ATOM 442 CB SER A 29 -7.022 -4.725 8.283 1.00 0.00 C ATOM 443 OG SER A 29 -7.291 -4.011 7.088 1.00 0.00 O ATOM 0 H SER A 29 -4.962 -4.155 7.051 1.00 0.00 H new ATOM 0 HA SER A 29 -5.600 -6.125 9.055 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.919 -5.255 8.604 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.763 -4.026 9.078 1.00 0.00 H new ATOM 0 HG SER A 29 -8.026 -3.382 7.241 1.00 0.00 H new ATOM 449 N ALA A 30 -6.266 -6.698 5.887 1.00 0.00 N ATOM 450 CA ALA A 30 -6.552 -7.777 4.957 1.00 0.00 C ATOM 451 C ALA A 30 -5.497 -7.809 3.862 1.00 0.00 C ATOM 452 O ALA A 30 -5.424 -6.913 3.018 1.00 0.00 O ATOM 453 CB ALA A 30 -7.940 -7.597 4.360 1.00 0.00 C ATOM 0 H ALA A 30 -6.032 -5.808 5.447 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.528 -8.727 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.145 -8.411 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.683 -7.606 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.988 -6.646 3.830 1.00 0.00 H new ATOM 459 N PRO A 31 -4.691 -8.871 3.858 1.00 0.00 N ATOM 460 CA PRO A 31 -3.563 -9.040 2.938 1.00 0.00 C ATOM 461 C PRO A 31 -3.953 -9.418 1.514 1.00 0.00 C ATOM 462 O PRO A 31 -5.112 -9.721 1.212 1.00 0.00 O ATOM 463 CB PRO A 31 -2.749 -10.177 3.577 1.00 0.00 C ATOM 464 CG PRO A 31 -3.324 -10.354 4.939 1.00 0.00 C ATOM 465 CD PRO A 31 -4.767 -9.988 4.800 1.00 0.00 C ATOM 0 HA PRO A 31 -3.027 -8.098 2.820 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.829 -11.094 2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.690 -9.923 3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.209 -11.381 5.286 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.823 -9.714 5.665 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.365 -10.813 4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.210 -9.694 5.752 1.00 0.00 H new ATOM 473 N LEU A 32 -2.956 -9.359 0.649 1.00 0.00 N ATOM 474 CA LEU A 32 -3.035 -9.893 -0.691 1.00 0.00 C ATOM 475 C LEU A 32 -2.651 -11.359 -0.624 1.00 0.00 C ATOM 476 O LEU A 32 -1.629 -11.704 -0.028 1.00 0.00 O ATOM 477 CB LEU A 32 -2.040 -9.170 -1.601 1.00 0.00 C ATOM 478 CG LEU A 32 -2.363 -9.150 -3.100 1.00 0.00 C ATOM 479 CD1 LEU A 32 -1.089 -9.024 -3.918 1.00 0.00 C ATOM 480 CD2 LEU A 32 -3.137 -10.355 -3.553 1.00 0.00 C ATOM 0 H LEU A 32 -2.056 -8.931 0.866 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.042 -9.762 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.953 -8.139 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.062 -9.633 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.998 -8.279 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.338 -9.011 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.577 -8.098 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.437 -9.872 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.334 -10.280 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.557 -11.256 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.082 -10.404 -3.013 1.00 0.00 H new ATOM 492 N ASP A 33 -3.449 -12.211 -1.230 1.00 0.00 N ATOM 493 CA ASP A 33 -3.181 -13.640 -1.150 1.00 0.00 C ATOM 494 C ASP A 33 -3.041 -14.285 -2.515 1.00 0.00 C ATOM 495 O ASP A 33 -4.003 -14.343 -3.282 1.00 0.00 O ATOM 496 CB ASP A 33 -4.264 -14.357 -0.338 1.00 0.00 C ATOM 497 CG ASP A 33 -4.048 -14.238 1.158 1.00 0.00 C ATOM 498 OD1 ASP A 33 -3.221 -14.997 1.700 1.00 0.00 O ATOM 499 OD2 ASP A 33 -4.710 -13.395 1.802 1.00 0.00 O ATOM 0 H ASP A 33 -4.273 -11.953 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.223 -13.745 -0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.239 -13.942 -0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.283 -15.411 -0.616 1.00 0.00 H new ATOM 504 N TYR A 34 -1.854 -14.837 -2.766 1.00 0.00 N ATOM 505 CA TYR A 34 -1.543 -15.549 -4.004 1.00 0.00 C ATOM 506 C TYR A 34 -0.336 -16.456 -3.802 1.00 0.00 C ATOM 507 O TYR A 34 0.235 -16.522 -2.710 1.00 0.00 O ATOM 508 CB TYR A 34 -1.263 -14.585 -5.165 1.00 0.00 C ATOM 509 CG TYR A 34 -2.506 -14.118 -5.883 1.00 0.00 C ATOM 510 CD1 TYR A 34 -3.093 -14.893 -6.876 1.00 0.00 C ATOM 511 CD2 TYR A 34 -3.101 -12.916 -5.553 1.00 0.00 C ATOM 512 CE1 TYR A 34 -4.240 -14.473 -7.520 1.00 0.00 C ATOM 513 CE2 TYR A 34 -4.247 -12.490 -6.184 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.816 -13.272 -7.169 1.00 0.00 C ATOM 515 OH TYR A 34 -5.963 -12.854 -7.806 1.00 0.00 O ATOM 0 H TYR A 34 -1.074 -14.802 -2.109 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.418 -16.146 -4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.728 -13.716 -4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.604 -15.075 -5.881 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.646 -15.838 -7.148 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.658 -12.299 -4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.683 -15.082 -8.294 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.699 -11.548 -5.910 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.242 -11.988 -7.442 1.00 0.00 H new ATOM 525 N LEU A 35 0.042 -17.148 -4.860 1.00 0.00 N ATOM 526 CA LEU A 35 1.135 -18.101 -4.808 1.00 0.00 C ATOM 527 C LEU A 35 2.353 -17.562 -5.546 1.00 0.00 C ATOM 528 O LEU A 35 2.311 -17.368 -6.764 1.00 0.00 O ATOM 529 CB LEU A 35 0.680 -19.422 -5.430 1.00 0.00 C ATOM 530 CG LEU A 35 1.749 -20.507 -5.534 1.00 0.00 C ATOM 531 CD1 LEU A 35 2.286 -20.871 -4.160 1.00 0.00 C ATOM 532 CD2 LEU A 35 1.187 -21.731 -6.237 1.00 0.00 C ATOM 0 H LEU A 35 -0.398 -17.066 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 35 1.416 -18.266 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.151 -19.812 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.296 -19.219 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 35 2.579 -20.119 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.046 -21.646 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.726 -19.988 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.471 -21.240 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.959 -22.498 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.340 -22.118 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.859 -21.456 -7.240 1.00 0.00 H new ATOM 544 N HIS A 36 3.440 -17.331 -4.817 1.00 0.00 N ATOM 545 CA HIS A 36 4.650 -16.809 -5.428 1.00 0.00 C ATOM 546 C HIS A 36 5.328 -17.905 -6.233 1.00 0.00 C ATOM 547 O HIS A 36 5.512 -19.016 -5.746 1.00 0.00 O ATOM 548 CB HIS A 36 5.605 -16.274 -4.356 1.00 0.00 C ATOM 549 CG HIS A 36 6.799 -15.552 -4.908 1.00 0.00 C ATOM 550 ND1 HIS A 36 6.922 -14.179 -4.885 1.00 0.00 N ATOM 551 CD2 HIS A 36 7.934 -16.019 -5.491 1.00 0.00 C ATOM 552 CE1 HIS A 36 8.075 -13.834 -5.425 1.00 0.00 C ATOM 553 NE2 HIS A 36 8.705 -14.927 -5.798 1.00 0.00 N ATOM 0 H HIS A 36 3.505 -17.496 -3.813 1.00 0.00 H new ATOM 0 HA HIS A 36 4.384 -15.987 -6.092 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.056 -15.599 -3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.948 -17.106 -3.742 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.182 -17.054 -5.677 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.440 -12.824 -5.541 1.00 0.00 H new ATOM 0 HE2 HIS A 36 9.621 -14.958 -6.245 1.00 0.00 H new ATOM 562 N GLY A 37 5.685 -17.600 -7.467 1.00 0.00 N ATOM 563 CA GLY A 37 6.375 -18.575 -8.281 1.00 0.00 C ATOM 564 C GLY A 37 5.518 -19.111 -9.404 1.00 0.00 C ATOM 565 O GLY A 37 5.916 -20.043 -10.099 1.00 0.00 O ATOM 0 H GLY A 37 5.512 -16.702 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.273 -18.122 -8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.700 -19.403 -7.651 1.00 0.00 H new ATOM 569 N HIS A 38 4.333 -18.539 -9.573 1.00 0.00 N ATOM 570 CA HIS A 38 3.408 -18.984 -10.611 1.00 0.00 C ATOM 571 C HIS A 38 2.594 -17.810 -11.105 1.00 0.00 C ATOM 572 O HIS A 38 1.635 -17.975 -11.861 1.00 0.00 O ATOM 573 CB HIS A 38 2.445 -20.060 -10.083 1.00 0.00 C ATOM 574 CG HIS A 38 3.059 -21.411 -9.884 1.00 0.00 C ATOM 575 ND1 HIS A 38 2.997 -22.406 -10.832 1.00 0.00 N ATOM 576 CD2 HIS A 38 3.718 -21.941 -8.829 1.00 0.00 C ATOM 577 CE1 HIS A 38 3.587 -23.490 -10.370 1.00 0.00 C ATOM 578 NE2 HIS A 38 4.035 -23.236 -9.155 1.00 0.00 N ATOM 0 H HIS A 38 3.988 -17.765 -9.005 1.00 0.00 H new ATOM 0 HA HIS A 38 4.000 -19.409 -11.422 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.030 -19.722 -9.133 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.612 -20.154 -10.779 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.952 -21.439 -7.902 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.687 -24.428 -10.897 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.535 -23.894 -8.557 1.00 0.00 H new ATOM 587 N GLY A 39 2.984 -16.621 -10.685 1.00 0.00 N ATOM 588 CA GLY A 39 2.141 -15.484 -10.861 1.00 0.00 C ATOM 589 C GLY A 39 1.414 -15.208 -9.579 1.00 0.00 C ATOM 590 O GLY A 39 0.466 -15.908 -9.222 1.00 0.00 O ATOM 0 H GLY A 39 3.874 -16.432 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.735 -14.617 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.428 -15.665 -11.666 1.00 0.00 H new ATOM 594 N SER A 40 1.860 -14.190 -8.884 1.00 0.00 N ATOM 595 CA SER A 40 1.249 -13.860 -7.610 1.00 0.00 C ATOM 596 C SER A 40 0.691 -12.461 -7.797 1.00 0.00 C ATOM 597 O SER A 40 -0.469 -12.161 -7.523 1.00 0.00 O ATOM 598 CB SER A 40 2.281 -13.888 -6.476 1.00 0.00 C ATOM 599 OG SER A 40 1.691 -13.603 -5.217 1.00 0.00 O ATOM 0 H SER A 40 2.629 -13.583 -9.168 1.00 0.00 H new ATOM 0 HA SER A 40 0.478 -14.578 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.756 -14.869 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.067 -13.161 -6.682 1.00 0.00 H new ATOM 0 HG SER A 40 2.379 -13.632 -4.519 1.00 0.00 H new ATOM 605 N LEU A 41 1.600 -11.627 -8.289 1.00 0.00 N ATOM 606 CA LEU A 41 1.317 -10.284 -8.758 1.00 0.00 C ATOM 607 C LEU A 41 2.437 -9.877 -9.714 1.00 0.00 C ATOM 608 O LEU A 41 3.187 -10.737 -10.164 1.00 0.00 O ATOM 609 CB LEU A 41 1.200 -9.293 -7.582 1.00 0.00 C ATOM 610 CG LEU A 41 2.413 -9.187 -6.640 1.00 0.00 C ATOM 611 CD1 LEU A 41 2.220 -8.048 -5.677 1.00 0.00 C ATOM 612 CD2 LEU A 41 2.624 -10.455 -5.836 1.00 0.00 C ATOM 0 H LEU A 41 2.585 -11.879 -8.373 1.00 0.00 H new ATOM 0 HA LEU A 41 0.358 -10.265 -9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.000 -8.303 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.331 -9.573 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 41 3.288 -9.021 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.083 -7.981 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.115 -7.116 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.321 -8.220 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.490 -10.334 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.740 -10.653 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.793 -11.292 -6.514 1.00 0.00 H new ATOM 624 N ILE A 42 2.511 -8.606 -10.095 1.00 0.00 N ATOM 625 CA ILE A 42 3.627 -8.103 -10.911 1.00 0.00 C ATOM 626 C ILE A 42 4.999 -8.664 -10.535 1.00 0.00 C ATOM 627 O ILE A 42 5.336 -8.874 -9.366 1.00 0.00 O ATOM 628 CB ILE A 42 3.706 -6.574 -10.853 1.00 0.00 C ATOM 629 CG1 ILE A 42 4.033 -6.118 -9.431 1.00 0.00 C ATOM 630 CG2 ILE A 42 2.407 -5.968 -11.350 1.00 0.00 C ATOM 631 CD1 ILE A 42 3.929 -4.626 -9.228 1.00 0.00 C ATOM 0 H ILE A 42 1.815 -7.900 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 42 3.398 -8.451 -11.919 1.00 0.00 H new ATOM 0 HB ILE A 42 4.507 -6.227 -11.505 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.358 -6.617 -8.736 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.044 -6.439 -9.180 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.472 -4.881 -11.305 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.231 -6.279 -12.380 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.583 -6.308 -10.723 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.176 -4.381 -8.195 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.624 -4.118 -9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.912 -4.299 -9.445 1.00 0.00 H new ATOM 643 N SER A 43 5.792 -8.839 -11.580 1.00 0.00 N ATOM 644 CA SER A 43 7.110 -9.457 -11.509 1.00 0.00 C ATOM 645 C SER A 43 8.102 -8.610 -10.715 1.00 0.00 C ATOM 646 O SER A 43 8.912 -9.138 -9.946 1.00 0.00 O ATOM 647 CB SER A 43 7.618 -9.664 -12.938 1.00 0.00 C ATOM 648 OG SER A 43 9.013 -9.901 -12.981 1.00 0.00 O ATOM 0 H SER A 43 5.533 -8.549 -12.523 1.00 0.00 H new ATOM 0 HA SER A 43 7.023 -10.410 -10.987 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.094 -10.506 -13.389 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.382 -8.784 -13.537 1.00 0.00 H new ATOM 0 HG SER A 43 9.474 -9.089 -13.278 1.00 0.00 H new ATOM 654 N GLY A 44 8.028 -7.300 -10.901 1.00 0.00 N ATOM 655 CA GLY A 44 8.971 -6.400 -10.265 1.00 0.00 C ATOM 656 C GLY A 44 8.836 -6.396 -8.760 1.00 0.00 C ATOM 657 O GLY A 44 9.830 -6.367 -8.033 1.00 0.00 O ATOM 0 H GLY A 44 7.328 -6.841 -11.484 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.986 -6.691 -10.535 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.817 -5.390 -10.644 1.00 0.00 H new ATOM 661 N LEU A 45 7.599 -6.448 -8.290 1.00 0.00 N ATOM 662 CA LEU A 45 7.332 -6.415 -6.864 1.00 0.00 C ATOM 663 C LEU A 45 7.691 -7.757 -6.239 1.00 0.00 C ATOM 664 O LEU A 45 8.393 -7.820 -5.239 1.00 0.00 O ATOM 665 CB LEU A 45 5.871 -6.063 -6.595 1.00 0.00 C ATOM 666 CG LEU A 45 5.542 -5.752 -5.137 1.00 0.00 C ATOM 667 CD1 LEU A 45 6.526 -4.735 -4.586 1.00 0.00 C ATOM 668 CD2 LEU A 45 4.117 -5.233 -5.016 1.00 0.00 C ATOM 0 H LEU A 45 6.767 -6.513 -8.876 1.00 0.00 H new ATOM 0 HA LEU A 45 7.950 -5.641 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.602 -5.200 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.246 -6.893 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 45 5.625 -6.669 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.283 -4.520 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.537 -5.137 -4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.465 -3.817 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.896 -5.016 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.010 -4.323 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.422 -5.988 -5.384 1.00 0.00 H new ATOM 680 N GLU A 46 7.187 -8.814 -6.858 1.00 0.00 N ATOM 681 CA GLU A 46 7.469 -10.179 -6.408 1.00 0.00 C ATOM 682 C GLU A 46 8.965 -10.392 -6.176 1.00 0.00 C ATOM 683 O GLU A 46 9.371 -10.926 -5.143 1.00 0.00 O ATOM 684 CB GLU A 46 6.959 -11.224 -7.389 1.00 0.00 C ATOM 685 CG GLU A 46 5.460 -11.422 -7.350 1.00 0.00 C ATOM 686 CD GLU A 46 5.048 -12.755 -7.934 1.00 0.00 C ATOM 687 OE1 GLU A 46 5.476 -13.798 -7.400 1.00 0.00 O ATOM 688 OE2 GLU A 46 4.286 -12.773 -8.916 1.00 0.00 O ATOM 0 H GLU A 46 6.579 -8.758 -7.675 1.00 0.00 H new ATOM 0 HA GLU A 46 6.938 -10.304 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.251 -10.934 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.447 -12.175 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.112 -11.355 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.974 -10.618 -7.903 1.00 0.00 H new ATOM 695 N THR A 47 9.776 -9.964 -7.134 1.00 0.00 N ATOM 696 CA THR A 47 11.223 -10.097 -7.037 1.00 0.00 C ATOM 697 C THR A 47 11.798 -9.229 -5.911 1.00 0.00 C ATOM 698 O THR A 47 12.781 -9.604 -5.268 1.00 0.00 O ATOM 699 CB THR A 47 11.886 -9.712 -8.373 1.00 0.00 C ATOM 700 OG1 THR A 47 11.316 -10.487 -9.438 1.00 0.00 O ATOM 701 CG2 THR A 47 13.387 -9.943 -8.322 1.00 0.00 C ATOM 0 H THR A 47 9.453 -9.519 -7.993 1.00 0.00 H new ATOM 0 HA THR A 47 11.439 -11.140 -6.807 1.00 0.00 H new ATOM 0 HB THR A 47 11.706 -8.652 -8.552 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.455 -10.099 -9.700 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.831 -9.663 -9.277 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.822 -9.336 -7.528 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.587 -10.996 -8.124 1.00 0.00 H new ATOM 709 N ALA A 48 11.180 -8.083 -5.669 1.00 0.00 N ATOM 710 CA ALA A 48 11.618 -7.194 -4.601 1.00 0.00 C ATOM 711 C ALA A 48 11.313 -7.823 -3.249 1.00 0.00 C ATOM 712 O ALA A 48 12.123 -7.771 -2.323 1.00 0.00 O ATOM 713 CB ALA A 48 10.936 -5.840 -4.725 1.00 0.00 C ATOM 0 H ALA A 48 10.375 -7.746 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 48 12.694 -7.043 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.274 -5.187 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.189 -5.392 -5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.856 -5.969 -4.658 1.00 0.00 H new ATOM 719 N LEU A 49 10.124 -8.406 -3.157 1.00 0.00 N ATOM 720 CA LEU A 49 9.679 -9.147 -1.990 1.00 0.00 C ATOM 721 C LEU A 49 10.623 -10.290 -1.675 1.00 0.00 C ATOM 722 O LEU A 49 10.981 -10.516 -0.521 1.00 0.00 O ATOM 723 CB LEU A 49 8.293 -9.714 -2.276 1.00 0.00 C ATOM 724 CG LEU A 49 7.127 -8.732 -2.184 1.00 0.00 C ATOM 725 CD1 LEU A 49 7.563 -7.287 -2.371 1.00 0.00 C ATOM 726 CD2 LEU A 49 6.056 -9.102 -3.198 1.00 0.00 C ATOM 0 H LEU A 49 9.432 -8.375 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 49 9.657 -8.473 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.300 -10.144 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.107 -10.531 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 49 6.717 -8.808 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.695 -6.632 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.285 -7.022 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.022 -7.170 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.228 -8.397 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.478 -9.065 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.694 -10.109 -2.993 1.00 0.00 H new ATOM 738 N GLU A 50 10.994 -11.006 -2.723 1.00 0.00 N ATOM 739 CA GLU A 50 11.874 -12.162 -2.617 1.00 0.00 C ATOM 740 C GLU A 50 13.098 -11.900 -1.744 1.00 0.00 C ATOM 741 O GLU A 50 13.579 -10.771 -1.615 1.00 0.00 O ATOM 742 CB GLU A 50 12.287 -12.665 -3.996 1.00 0.00 C ATOM 743 CG GLU A 50 11.628 -13.991 -4.325 1.00 0.00 C ATOM 744 CD GLU A 50 11.947 -14.521 -5.706 1.00 0.00 C ATOM 745 OE1 GLU A 50 13.004 -15.166 -5.866 1.00 0.00 O ATOM 746 OE2 GLU A 50 11.125 -14.332 -6.625 1.00 0.00 O ATOM 0 H GLU A 50 10.693 -10.803 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 50 11.298 -12.942 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.016 -11.926 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.371 -12.777 -4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.936 -14.730 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.548 -13.879 -4.232 1.00 0.00 H new ATOM 753 N GLY A 51 13.591 -12.977 -1.156 1.00 0.00 N ATOM 754 CA GLY A 51 14.676 -12.888 -0.196 1.00 0.00 C ATOM 755 C GLY A 51 14.253 -12.453 1.199 1.00 0.00 C ATOM 756 O GLY A 51 14.940 -12.758 2.171 1.00 0.00 O ATOM 0 H GLY A 51 13.256 -13.925 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.163 -13.861 -0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.419 -12.185 -0.572 1.00 0.00 H new ATOM 760 N HIS A 52 13.130 -11.760 1.313 1.00 0.00 N ATOM 761 CA HIS A 52 12.700 -11.227 2.602 1.00 0.00 C ATOM 762 C HIS A 52 11.937 -12.275 3.404 1.00 0.00 C ATOM 763 O HIS A 52 11.717 -13.396 2.941 1.00 0.00 O ATOM 764 CB HIS A 52 11.817 -9.985 2.415 1.00 0.00 C ATOM 765 CG HIS A 52 12.538 -8.783 1.878 1.00 0.00 C ATOM 766 ND1 HIS A 52 13.466 -8.070 2.605 1.00 0.00 N ATOM 767 CD2 HIS A 52 12.455 -8.164 0.678 1.00 0.00 C ATOM 768 CE1 HIS A 52 13.920 -7.069 1.877 1.00 0.00 C ATOM 769 NE2 HIS A 52 13.324 -7.102 0.703 1.00 0.00 N ATOM 0 H HIS A 52 12.502 -11.553 0.536 1.00 0.00 H new ATOM 0 HA HIS A 52 13.598 -10.947 3.152 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.000 -10.235 1.739 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.369 -9.726 3.374 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.821 -8.452 -0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 52 14.657 -6.344 2.191 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.482 -6.446 -0.062 1.00 0.00 H new ATOM 778 N GLU A 53 11.548 -11.903 4.611 1.00 0.00 N ATOM 779 CA GLU A 53 10.707 -12.745 5.444 1.00 0.00 C ATOM 780 C GLU A 53 9.525 -11.933 5.930 1.00 0.00 C ATOM 781 O GLU A 53 9.527 -10.709 5.820 1.00 0.00 O ATOM 782 CB GLU A 53 11.466 -13.303 6.647 1.00 0.00 C ATOM 783 CG GLU A 53 12.461 -14.400 6.312 1.00 0.00 C ATOM 784 CD GLU A 53 13.228 -14.853 7.536 1.00 0.00 C ATOM 785 OE1 GLU A 53 12.736 -15.737 8.270 1.00 0.00 O ATOM 786 OE2 GLU A 53 14.325 -14.308 7.786 1.00 0.00 O ATOM 0 H GLU A 53 11.804 -11.014 5.040 1.00 0.00 H new ATOM 0 HA GLU A 53 10.375 -13.590 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.997 -12.486 7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.745 -13.691 7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.934 -15.249 5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.160 -14.039 5.557 1.00 0.00 H new ATOM 793 N VAL A 54 8.509 -12.617 6.431 1.00 0.00 N ATOM 794 CA VAL A 54 7.331 -11.941 6.957 1.00 0.00 C ATOM 795 C VAL A 54 7.728 -10.871 7.978 1.00 0.00 C ATOM 796 O VAL A 54 8.675 -11.038 8.751 1.00 0.00 O ATOM 797 CB VAL A 54 6.301 -12.926 7.576 1.00 0.00 C ATOM 798 CG1 VAL A 54 6.566 -14.352 7.126 1.00 0.00 C ATOM 799 CG2 VAL A 54 6.268 -12.836 9.093 1.00 0.00 C ATOM 0 H VAL A 54 8.475 -13.635 6.485 1.00 0.00 H new ATOM 0 HA VAL A 54 6.843 -11.460 6.109 1.00 0.00 H new ATOM 0 HB VAL A 54 5.318 -12.630 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.829 -15.018 7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.493 -14.410 6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.566 -14.653 7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.535 -13.541 9.483 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.253 -13.077 9.493 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.993 -11.824 9.392 1.00 0.00 H new ATOM 809 N GLY A 55 7.007 -9.768 7.946 1.00 0.00 N ATOM 810 CA GLY A 55 7.309 -8.659 8.823 1.00 0.00 C ATOM 811 C GLY A 55 8.176 -7.609 8.153 1.00 0.00 C ATOM 812 O GLY A 55 8.321 -6.500 8.672 1.00 0.00 O ATOM 0 H GLY A 55 6.212 -9.618 7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.379 -8.199 9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.817 -9.031 9.713 1.00 0.00 H new ATOM 816 N ASP A 56 8.754 -7.950 7.000 1.00 0.00 N ATOM 817 CA ASP A 56 9.558 -6.996 6.241 1.00 0.00 C ATOM 818 C ASP A 56 8.673 -5.912 5.651 1.00 0.00 C ATOM 819 O ASP A 56 7.641 -6.199 5.039 1.00 0.00 O ATOM 820 CB ASP A 56 10.338 -7.689 5.115 1.00 0.00 C ATOM 821 CG ASP A 56 11.747 -8.082 5.521 1.00 0.00 C ATOM 822 OD1 ASP A 56 12.567 -7.183 5.778 1.00 0.00 O ATOM 823 OD2 ASP A 56 12.055 -9.295 5.553 1.00 0.00 O ATOM 0 H ASP A 56 8.680 -8.874 6.575 1.00 0.00 H new ATOM 0 HA ASP A 56 10.274 -6.548 6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.795 -8.580 4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.387 -7.024 4.253 1.00 0.00 H new ATOM 828 N LYS A 57 9.080 -4.673 5.841 1.00 0.00 N ATOM 829 CA LYS A 57 8.324 -3.537 5.347 1.00 0.00 C ATOM 830 C LYS A 57 9.267 -2.508 4.752 1.00 0.00 C ATOM 831 O LYS A 57 10.261 -2.134 5.379 1.00 0.00 O ATOM 832 CB LYS A 57 7.492 -2.924 6.475 1.00 0.00 C ATOM 833 CG LYS A 57 6.540 -1.835 6.012 1.00 0.00 C ATOM 834 CD LYS A 57 7.127 -0.444 6.166 1.00 0.00 C ATOM 835 CE LYS A 57 6.114 0.624 5.783 1.00 0.00 C ATOM 836 NZ LYS A 57 4.902 0.577 6.648 1.00 0.00 N ATOM 0 H LYS A 57 9.936 -4.425 6.337 1.00 0.00 H new ATOM 0 HA LYS A 57 7.642 -3.874 4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.918 -3.713 6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.165 -2.510 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.282 -2.003 4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.614 -1.900 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.447 -0.293 7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.014 -0.349 5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.577 1.608 5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.822 0.490 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.201 1.263 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.493 -0.379 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.164 0.814 7.626 1.00 0.00 H new ATOM 850 N PHE A 58 8.958 -2.060 3.543 1.00 0.00 N ATOM 851 CA PHE A 58 9.807 -1.109 2.841 1.00 0.00 C ATOM 852 C PHE A 58 9.092 -0.527 1.635 1.00 0.00 C ATOM 853 O PHE A 58 8.091 -1.075 1.163 1.00 0.00 O ATOM 854 CB PHE A 58 11.114 -1.775 2.384 1.00 0.00 C ATOM 855 CG PHE A 58 10.923 -2.877 1.370 1.00 0.00 C ATOM 856 CD1 PHE A 58 10.366 -4.096 1.732 1.00 0.00 C ATOM 857 CD2 PHE A 58 11.292 -2.683 0.046 1.00 0.00 C ATOM 858 CE1 PHE A 58 10.182 -5.096 0.794 1.00 0.00 C ATOM 859 CE2 PHE A 58 11.109 -3.678 -0.892 1.00 0.00 C ATOM 860 CZ PHE A 58 10.552 -4.885 -0.519 1.00 0.00 C ATOM 0 H PHE A 58 8.124 -2.341 3.028 1.00 0.00 H new ATOM 0 HA PHE A 58 10.040 -0.304 3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 58 11.768 -1.014 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.625 -2.183 3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.073 -4.266 2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.728 -1.741 -0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.749 -6.041 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.402 -3.513 -1.918 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.406 -5.663 -1.254 1.00 0.00 H new ATOM 870 N ASP A 59 9.615 0.593 1.159 1.00 0.00 N ATOM 871 CA ASP A 59 9.121 1.222 -0.064 1.00 0.00 C ATOM 872 C ASP A 59 9.756 0.588 -1.284 1.00 0.00 C ATOM 873 O ASP A 59 10.928 0.213 -1.271 1.00 0.00 O ATOM 874 CB ASP A 59 9.416 2.722 -0.100 1.00 0.00 C ATOM 875 CG ASP A 59 8.433 3.557 0.693 1.00 0.00 C ATOM 876 OD1 ASP A 59 8.441 3.486 1.942 1.00 0.00 O ATOM 877 OD2 ASP A 59 7.643 4.298 0.067 1.00 0.00 O ATOM 0 H ASP A 59 10.387 1.091 1.602 1.00 0.00 H new ATOM 0 HA ASP A 59 8.041 1.072 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.420 2.895 0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.411 3.059 -1.137 1.00 0.00 H new ATOM 882 N VAL A 60 8.972 0.485 -2.331 1.00 0.00 N ATOM 883 CA VAL A 60 9.430 -0.073 -3.593 1.00 0.00 C ATOM 884 C VAL A 60 8.970 0.818 -4.732 1.00 0.00 C ATOM 885 O VAL A 60 7.861 1.350 -4.695 1.00 0.00 O ATOM 886 CB VAL A 60 8.871 -1.493 -3.832 1.00 0.00 C ATOM 887 CG1 VAL A 60 9.690 -2.246 -4.864 1.00 0.00 C ATOM 888 CG2 VAL A 60 8.799 -2.280 -2.544 1.00 0.00 C ATOM 0 H VAL A 60 7.997 0.784 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 60 10.518 -0.130 -3.552 1.00 0.00 H new ATOM 0 HB VAL A 60 7.859 -1.377 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.269 -3.241 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.671 -1.704 -5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.720 -2.335 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.402 -3.274 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.797 -2.369 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.146 -1.765 -1.839 1.00 0.00 H new ATOM 898 N ALA A 61 9.805 0.983 -5.739 1.00 0.00 N ATOM 899 CA ALA A 61 9.423 1.727 -6.919 1.00 0.00 C ATOM 900 C ALA A 61 9.838 0.949 -8.153 1.00 0.00 C ATOM 901 O ALA A 61 11.031 0.767 -8.410 1.00 0.00 O ATOM 902 CB ALA A 61 10.063 3.105 -6.904 1.00 0.00 C ATOM 0 H ALA A 61 10.754 0.610 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 61 8.342 1.863 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.767 3.654 -7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.734 3.649 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.148 3.002 -6.884 1.00 0.00 H new ATOM 908 N VAL A 62 8.862 0.480 -8.908 1.00 0.00 N ATOM 909 CA VAL A 62 9.139 -0.374 -10.047 1.00 0.00 C ATOM 910 C VAL A 62 8.613 0.250 -11.323 1.00 0.00 C ATOM 911 O VAL A 62 7.518 0.820 -11.345 1.00 0.00 O ATOM 912 CB VAL A 62 8.517 -1.778 -9.861 1.00 0.00 C ATOM 913 CG1 VAL A 62 8.791 -2.663 -11.066 1.00 0.00 C ATOM 914 CG2 VAL A 62 9.049 -2.433 -8.597 1.00 0.00 C ATOM 0 H VAL A 62 7.873 0.676 -8.753 1.00 0.00 H new ATOM 0 HA VAL A 62 10.221 -0.481 -10.120 1.00 0.00 H new ATOM 0 HB VAL A 62 7.438 -1.656 -9.767 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.342 -3.643 -10.907 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.361 -2.207 -11.958 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.867 -2.774 -11.199 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.601 -3.420 -8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 62 10.132 -2.532 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.796 -1.817 -7.734 1.00 0.00 H new ATOM 924 N GLY A 63 9.413 0.153 -12.373 1.00 0.00 N ATOM 925 CA GLY A 63 9.005 0.659 -13.663 1.00 0.00 C ATOM 926 C GLY A 63 7.882 -0.166 -14.248 1.00 0.00 C ATOM 927 O GLY A 63 7.788 -1.364 -13.975 1.00 0.00 O ATOM 0 H GLY A 63 10.341 -0.269 -12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.684 1.696 -13.564 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.856 0.653 -14.344 1.00 0.00 H new ATOM 931 N ALA A 64 7.040 0.478 -15.048 1.00 0.00 N ATOM 932 CA ALA A 64 5.879 -0.170 -15.662 1.00 0.00 C ATOM 933 C ALA A 64 6.219 -1.505 -16.304 1.00 0.00 C ATOM 934 O ALA A 64 5.391 -2.399 -16.326 1.00 0.00 O ATOM 935 CB ALA A 64 5.261 0.730 -16.714 1.00 0.00 C ATOM 0 H ALA A 64 7.140 1.464 -15.291 1.00 0.00 H new ATOM 0 HA ALA A 64 5.172 -0.353 -14.853 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.400 0.231 -17.159 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.941 1.664 -16.252 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.997 0.943 -17.489 1.00 0.00 H new ATOM 941 N ASN A 65 7.440 -1.639 -16.812 1.00 0.00 N ATOM 942 CA ASN A 65 7.840 -2.839 -17.545 1.00 0.00 C ATOM 943 C ASN A 65 7.857 -4.089 -16.662 1.00 0.00 C ATOM 944 O ASN A 65 7.766 -5.206 -17.171 1.00 0.00 O ATOM 945 CB ASN A 65 9.199 -2.635 -18.233 1.00 0.00 C ATOM 946 CG ASN A 65 10.273 -2.062 -17.322 1.00 0.00 C ATOM 947 OD1 ASN A 65 10.272 -2.281 -16.113 1.00 0.00 O ATOM 948 ND2 ASN A 65 11.197 -1.315 -17.905 1.00 0.00 N ATOM 0 H ASN A 65 8.171 -0.932 -16.730 1.00 0.00 H new ATOM 0 HA ASN A 65 7.084 -3.005 -18.312 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.543 -3.592 -18.626 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.067 -1.969 -19.086 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.942 -0.898 -17.347 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.164 -1.156 -18.912 1.00 0.00 H new ATOM 955 N ASP A 66 7.949 -3.907 -15.350 1.00 0.00 N ATOM 956 CA ASP A 66 7.891 -5.035 -14.421 1.00 0.00 C ATOM 957 C ASP A 66 6.677 -4.922 -13.506 1.00 0.00 C ATOM 958 O ASP A 66 6.479 -5.745 -12.608 1.00 0.00 O ATOM 959 CB ASP A 66 9.167 -5.122 -13.575 1.00 0.00 C ATOM 960 CG ASP A 66 10.118 -6.208 -14.042 1.00 0.00 C ATOM 961 OD1 ASP A 66 9.819 -7.404 -13.838 1.00 0.00 O ATOM 962 OD2 ASP A 66 11.186 -5.870 -14.599 1.00 0.00 O ATOM 0 H ASP A 66 8.063 -2.996 -14.905 1.00 0.00 H new ATOM 0 HA ASP A 66 7.804 -5.944 -15.016 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.681 -4.161 -13.603 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.895 -5.308 -12.536 1.00 0.00 H new ATOM 967 N ALA A 67 5.861 -3.905 -13.742 1.00 0.00 N ATOM 968 CA ALA A 67 4.699 -3.642 -12.909 1.00 0.00 C ATOM 969 C ALA A 67 3.463 -3.404 -13.773 1.00 0.00 C ATOM 970 O ALA A 67 3.362 -3.938 -14.881 1.00 0.00 O ATOM 971 CB ALA A 67 4.969 -2.443 -12.008 1.00 0.00 C ATOM 0 H ALA A 67 5.985 -3.245 -14.510 1.00 0.00 H new ATOM 0 HA ALA A 67 4.508 -4.513 -12.283 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.095 -2.251 -11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.828 -2.653 -11.371 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.178 -1.567 -12.621 1.00 0.00 H new ATOM 1119 N GLN A 77 11.616 -6.653 -28.538 1.00 0.00 N ATOM 1120 CA GLN A 77 12.137 -7.990 -28.749 1.00 0.00 C ATOM 1121 C GLN A 77 13.518 -8.089 -28.119 1.00 0.00 C ATOM 1122 O GLN A 77 14.076 -7.086 -27.667 1.00 0.00 O ATOM 1123 CB GLN A 77 12.167 -8.374 -30.243 1.00 0.00 C ATOM 1124 CG GLN A 77 13.183 -7.636 -31.106 1.00 0.00 C ATOM 1125 CD GLN A 77 12.974 -6.138 -31.139 1.00 0.00 C ATOM 1126 OE1 GLN A 77 13.570 -5.408 -30.360 1.00 0.00 O ATOM 1127 NE2 GLN A 77 12.103 -5.675 -32.021 1.00 0.00 N ATOM 0 HA GLN A 77 11.469 -8.705 -28.268 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.366 -9.443 -30.318 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.175 -8.204 -30.661 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.185 -7.847 -30.733 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.133 -8.024 -32.123 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.627 -6.318 -32.653 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.908 -4.675 -32.068 1.00 0.00 H new ATOM 1136 N ARG A 78 14.066 -9.290 -28.076 1.00 0.00 N ATOM 1137 CA ARG A 78 15.328 -9.517 -27.397 1.00 0.00 C ATOM 1138 C ARG A 78 16.375 -9.960 -28.398 1.00 0.00 C ATOM 1139 O ARG A 78 16.373 -11.098 -28.872 1.00 0.00 O ATOM 1140 CB ARG A 78 15.180 -10.538 -26.266 1.00 0.00 C ATOM 1141 CG ARG A 78 14.331 -10.044 -25.101 1.00 0.00 C ATOM 1142 CD ARG A 78 12.840 -10.158 -25.391 1.00 0.00 C ATOM 1143 NE ARG A 78 12.015 -9.684 -24.279 1.00 0.00 N ATOM 1144 CZ ARG A 78 10.691 -9.511 -24.353 1.00 0.00 C ATOM 1145 NH1 ARG A 78 10.042 -9.763 -25.485 1.00 0.00 N ATOM 1146 NH2 ARG A 78 10.011 -9.086 -23.297 1.00 0.00 N ATOM 0 H ARG A 78 13.658 -10.122 -28.503 1.00 0.00 H new ATOM 0 HA ARG A 78 15.649 -8.580 -26.942 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.736 -11.449 -26.667 1.00 0.00 H new ATOM 0 HB3 ARG A 78 16.170 -10.803 -25.896 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.571 -10.620 -24.208 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.580 -9.005 -24.886 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.602 -9.583 -26.286 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.593 -11.198 -25.605 1.00 0.00 H new ATOM 0 HE ARG A 78 12.477 -9.473 -23.395 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.554 -10.091 -26.304 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.032 -9.629 -25.535 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.498 -8.889 -22.422 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.001 -8.956 -23.359 1.00 0.00 H new ATOM 1160 N VAL A 79 17.266 -9.040 -28.710 1.00 0.00 N ATOM 1161 CA VAL A 79 18.233 -9.239 -29.776 1.00 0.00 C ATOM 1162 C VAL A 79 19.565 -9.740 -29.219 1.00 0.00 C ATOM 1163 O VAL A 79 20.125 -9.156 -28.279 1.00 0.00 O ATOM 1164 CB VAL A 79 18.460 -7.936 -30.573 1.00 0.00 C ATOM 1165 CG1 VAL A 79 19.217 -8.222 -31.861 1.00 0.00 C ATOM 1166 CG2 VAL A 79 17.135 -7.244 -30.871 1.00 0.00 C ATOM 0 H VAL A 79 17.342 -8.139 -28.237 1.00 0.00 H new ATOM 0 HA VAL A 79 17.825 -9.994 -30.449 1.00 0.00 H new ATOM 0 HB VAL A 79 19.063 -7.264 -29.962 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.367 -7.292 -32.409 1.00 0.00 H new ATOM 0 HG12 VAL A 79 20.185 -8.664 -31.624 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.642 -8.916 -32.475 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.321 -6.329 -31.433 1.00 0.00 H new ATOM 0 HG22 VAL A 79 16.502 -7.908 -31.459 1.00 0.00 H new ATOM 0 HG23 VAL A 79 16.634 -6.999 -29.935 1.00 0.00 H new ATOM 1176 N PRO A 80 20.079 -10.840 -29.795 1.00 0.00 N ATOM 1177 CA PRO A 80 21.341 -11.461 -29.377 1.00 0.00 C ATOM 1178 C PRO A 80 22.525 -10.512 -29.519 1.00 0.00 C ATOM 1179 O PRO A 80 22.627 -9.766 -30.489 1.00 0.00 O ATOM 1180 CB PRO A 80 21.519 -12.646 -30.335 1.00 0.00 C ATOM 1181 CG PRO A 80 20.201 -12.852 -31.001 1.00 0.00 C ATOM 1182 CD PRO A 80 19.450 -11.557 -30.917 1.00 0.00 C ATOM 0 HA PRO A 80 21.307 -11.748 -28.326 1.00 0.00 H new ATOM 0 HB2 PRO A 80 22.297 -12.438 -31.070 1.00 0.00 H new ATOM 0 HB3 PRO A 80 21.824 -13.541 -29.793 1.00 0.00 H new ATOM 0 HG2 PRO A 80 20.338 -13.149 -32.041 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.644 -13.651 -30.512 1.00 0.00 H new ATOM 0 HD2 PRO A 80 19.530 -10.991 -31.845 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.388 -11.725 -30.736 1.00 0.00 H new ATOM 1190 N LYS A 81 23.390 -10.511 -28.507 1.00 0.00 N ATOM 1191 CA LYS A 81 24.630 -9.736 -28.538 1.00 0.00 C ATOM 1192 C LYS A 81 25.491 -10.081 -29.744 1.00 0.00 C ATOM 1193 O LYS A 81 26.277 -9.255 -30.206 1.00 0.00 O ATOM 1194 CB LYS A 81 25.426 -9.950 -27.246 1.00 0.00 C ATOM 1195 CG LYS A 81 24.658 -9.565 -25.985 1.00 0.00 C ATOM 1196 CD LYS A 81 24.512 -8.059 -25.813 1.00 0.00 C ATOM 1197 CE LYS A 81 23.781 -7.414 -26.979 1.00 0.00 C ATOM 1198 NZ LYS A 81 22.458 -8.043 -27.217 1.00 0.00 N ATOM 0 H LYS A 81 23.253 -11.043 -27.648 1.00 0.00 H new ATOM 0 HA LYS A 81 24.352 -8.685 -28.622 1.00 0.00 H new ATOM 0 HB2 LYS A 81 25.718 -10.998 -27.178 1.00 0.00 H new ATOM 0 HB3 LYS A 81 26.345 -9.366 -27.294 1.00 0.00 H new ATOM 0 HG2 LYS A 81 23.668 -10.019 -26.017 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.170 -9.976 -25.115 1.00 0.00 H new ATOM 0 HD2 LYS A 81 23.972 -7.852 -24.889 1.00 0.00 H new ATOM 0 HD3 LYS A 81 25.500 -7.609 -25.713 1.00 0.00 H new ATOM 0 HE2 LYS A 81 23.647 -6.351 -26.780 1.00 0.00 H new ATOM 0 HE3 LYS A 81 24.390 -7.496 -27.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 22.111 -7.776 -28.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 22.550 -9.077 -27.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 21.784 -7.717 -26.495 1.00 0.00 H new ATOM 1212 N ASP A 82 25.317 -11.292 -30.250 1.00 0.00 N ATOM 1213 CA ASP A 82 26.035 -11.747 -31.440 1.00 0.00 C ATOM 1214 C ASP A 82 25.675 -10.881 -32.644 1.00 0.00 C ATOM 1215 O ASP A 82 26.523 -10.575 -33.486 1.00 0.00 O ATOM 1216 CB ASP A 82 25.705 -13.215 -31.725 1.00 0.00 C ATOM 1217 CG ASP A 82 26.277 -13.699 -33.042 1.00 0.00 C ATOM 1218 OD1 ASP A 82 27.516 -13.675 -33.203 1.00 0.00 O ATOM 1219 OD2 ASP A 82 25.486 -14.125 -33.914 1.00 0.00 O ATOM 0 H ASP A 82 24.681 -11.985 -29.855 1.00 0.00 H new ATOM 0 HA ASP A 82 27.106 -11.656 -31.257 1.00 0.00 H new ATOM 0 HB2 ASP A 82 26.093 -13.834 -30.916 1.00 0.00 H new ATOM 0 HB3 ASP A 82 24.623 -13.344 -31.734 1.00 0.00 H new ATOM 1224 N VAL A 83 24.413 -10.476 -32.691 1.00 0.00 N ATOM 1225 CA VAL A 83 23.894 -9.633 -33.761 1.00 0.00 C ATOM 1226 C VAL A 83 24.623 -8.288 -33.813 1.00 0.00 C ATOM 1227 O VAL A 83 25.000 -7.810 -34.883 1.00 0.00 O ATOM 1228 CB VAL A 83 22.378 -9.408 -33.566 1.00 0.00 C ATOM 1229 CG1 VAL A 83 21.812 -8.422 -34.573 1.00 0.00 C ATOM 1230 CG2 VAL A 83 21.633 -10.729 -33.654 1.00 0.00 C ATOM 0 H VAL A 83 23.718 -10.723 -31.986 1.00 0.00 H new ATOM 0 HA VAL A 83 24.065 -10.144 -34.708 1.00 0.00 H new ATOM 0 HB VAL A 83 22.240 -8.979 -32.573 1.00 0.00 H new ATOM 0 HG11 VAL A 83 20.744 -8.295 -34.397 1.00 0.00 H new ATOM 0 HG12 VAL A 83 22.314 -7.461 -34.463 1.00 0.00 H new ATOM 0 HG13 VAL A 83 21.971 -8.801 -35.582 1.00 0.00 H new ATOM 0 HG21 VAL A 83 20.566 -10.555 -33.515 1.00 0.00 H new ATOM 0 HG22 VAL A 83 21.803 -11.178 -34.633 1.00 0.00 H new ATOM 0 HG23 VAL A 83 21.995 -11.403 -32.878 1.00 0.00 H new ATOM 1240 N PHE A 84 24.850 -7.696 -32.646 1.00 0.00 N ATOM 1241 CA PHE A 84 25.465 -6.376 -32.558 1.00 0.00 C ATOM 1242 C PHE A 84 26.982 -6.473 -32.459 1.00 0.00 C ATOM 1243 O PHE A 84 27.609 -5.746 -31.699 1.00 0.00 O ATOM 1244 CB PHE A 84 24.904 -5.609 -31.362 1.00 0.00 C ATOM 1245 CG PHE A 84 23.425 -5.402 -31.441 1.00 0.00 C ATOM 1246 CD1 PHE A 84 22.876 -4.625 -32.448 1.00 0.00 C ATOM 1247 CD2 PHE A 84 22.583 -5.994 -30.518 1.00 0.00 C ATOM 1248 CE1 PHE A 84 21.513 -4.440 -32.530 1.00 0.00 C ATOM 1249 CE2 PHE A 84 21.219 -5.813 -30.596 1.00 0.00 C ATOM 1250 CZ PHE A 84 20.683 -5.036 -31.604 1.00 0.00 C ATOM 0 H PHE A 84 24.616 -8.111 -31.744 1.00 0.00 H new ATOM 0 HA PHE A 84 25.225 -5.834 -33.473 1.00 0.00 H new ATOM 0 HB2 PHE A 84 25.141 -6.151 -30.446 1.00 0.00 H new ATOM 0 HB3 PHE A 84 25.398 -4.640 -31.295 1.00 0.00 H new ATOM 0 HD1 PHE A 84 23.523 -4.159 -33.177 1.00 0.00 H new ATOM 0 HD2 PHE A 84 22.998 -6.604 -29.729 1.00 0.00 H new ATOM 0 HE1 PHE A 84 21.096 -3.830 -33.317 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.570 -6.279 -29.869 1.00 0.00 H new ATOM 0 HZ PHE A 84 19.614 -4.895 -31.667 1.00 0.00 H new ATOM 1260 N MET A 85 27.556 -7.385 -33.219 1.00 0.00 N ATOM 1261 CA MET A 85 29.004 -7.567 -33.258 1.00 0.00 C ATOM 1262 C MET A 85 29.746 -6.250 -33.532 1.00 0.00 C ATOM 1263 O MET A 85 30.815 -6.004 -32.973 1.00 0.00 O ATOM 1264 CB MET A 85 29.360 -8.594 -34.328 1.00 0.00 C ATOM 1265 CG MET A 85 28.799 -8.242 -35.687 1.00 0.00 C ATOM 1266 SD MET A 85 29.592 -9.136 -37.035 1.00 0.00 S ATOM 1267 CE MET A 85 31.254 -8.474 -36.938 1.00 0.00 C ATOM 0 H MET A 85 27.039 -8.021 -33.826 1.00 0.00 H new ATOM 0 HA MET A 85 29.321 -7.922 -32.277 1.00 0.00 H new ATOM 0 HB2 MET A 85 30.444 -8.678 -34.398 1.00 0.00 H new ATOM 0 HB3 MET A 85 28.984 -9.572 -34.027 1.00 0.00 H new ATOM 0 HG2 MET A 85 27.730 -8.455 -35.698 1.00 0.00 H new ATOM 0 HG3 MET A 85 28.913 -7.171 -35.854 1.00 0.00 H new ATOM 0 HE1 MET A 85 31.730 -8.541 -37.916 1.00 0.00 H new ATOM 0 HE2 MET A 85 31.212 -7.431 -36.625 1.00 0.00 H new ATOM 0 HE3 MET A 85 31.832 -9.047 -36.213 1.00 0.00 H new ATOM 1277 N GLY A 86 29.164 -5.401 -34.377 1.00 0.00 N ATOM 1278 CA GLY A 86 29.825 -4.169 -34.781 1.00 0.00 C ATOM 1279 C GLY A 86 29.477 -2.967 -33.914 1.00 0.00 C ATOM 1280 O GLY A 86 29.745 -1.830 -34.300 1.00 0.00 O ATOM 0 H GLY A 86 28.243 -5.545 -34.791 1.00 0.00 H new ATOM 0 HA2 GLY A 86 30.904 -4.322 -34.756 1.00 0.00 H new ATOM 0 HA3 GLY A 86 29.559 -3.948 -35.815 1.00 0.00 H new ATOM 1284 N VAL A 87 28.871 -3.206 -32.759 1.00 0.00 N ATOM 1285 CA VAL A 87 28.447 -2.116 -31.882 1.00 0.00 C ATOM 1286 C VAL A 87 29.641 -1.506 -31.143 1.00 0.00 C ATOM 1287 O VAL A 87 30.700 -2.130 -31.033 1.00 0.00 O ATOM 1288 CB VAL A 87 27.400 -2.598 -30.849 1.00 0.00 C ATOM 1289 CG1 VAL A 87 28.043 -3.522 -29.829 1.00 0.00 C ATOM 1290 CG2 VAL A 87 26.710 -1.424 -30.162 1.00 0.00 C ATOM 0 H VAL A 87 28.661 -4.140 -32.406 1.00 0.00 H new ATOM 0 HA VAL A 87 27.993 -1.356 -32.517 1.00 0.00 H new ATOM 0 HB VAL A 87 26.634 -3.157 -31.387 1.00 0.00 H new ATOM 0 HG11 VAL A 87 27.292 -3.851 -29.111 1.00 0.00 H new ATOM 0 HG12 VAL A 87 28.463 -4.390 -30.338 1.00 0.00 H new ATOM 0 HG13 VAL A 87 28.837 -2.990 -29.305 1.00 0.00 H new ATOM 0 HG21 VAL A 87 25.982 -1.800 -29.444 1.00 0.00 H new ATOM 0 HG22 VAL A 87 27.453 -0.819 -29.643 1.00 0.00 H new ATOM 0 HG23 VAL A 87 26.202 -0.813 -30.908 1.00 0.00 H new ATOM 1300 N ASP A 88 29.465 -0.286 -30.659 1.00 0.00 N ATOM 1301 CA ASP A 88 30.468 0.367 -29.828 1.00 0.00 C ATOM 1302 C ASP A 88 30.561 -0.337 -28.479 1.00 0.00 C ATOM 1303 O ASP A 88 31.493 -1.103 -28.228 1.00 0.00 O ATOM 1304 CB ASP A 88 30.105 1.843 -29.639 1.00 0.00 C ATOM 1305 CG ASP A 88 31.190 2.640 -28.949 1.00 0.00 C ATOM 1306 OD1 ASP A 88 32.092 3.148 -29.650 1.00 0.00 O ATOM 1307 OD2 ASP A 88 31.137 2.782 -27.714 1.00 0.00 O ATOM 0 H ASP A 88 28.631 0.276 -30.828 1.00 0.00 H new ATOM 0 HA ASP A 88 31.439 0.307 -30.320 1.00 0.00 H new ATOM 0 HB2 ASP A 88 29.900 2.288 -30.613 1.00 0.00 H new ATOM 0 HB3 ASP A 88 29.186 1.913 -29.057 1.00 0.00 H new ATOM 1312 N GLU A 89 29.575 -0.078 -27.628 1.00 0.00 N ATOM 1313 CA GLU A 89 29.452 -0.740 -26.335 1.00 0.00 C ATOM 1314 C GLU A 89 27.985 -0.848 -25.936 1.00 0.00 C ATOM 1315 O GLU A 89 27.341 0.155 -25.645 1.00 0.00 O ATOM 1316 CB GLU A 89 30.214 0.018 -25.265 1.00 0.00 C ATOM 1317 CG GLU A 89 31.701 -0.273 -25.258 1.00 0.00 C ATOM 1318 CD GLU A 89 32.443 0.498 -24.185 1.00 0.00 C ATOM 1319 OE1 GLU A 89 32.320 0.140 -22.995 1.00 0.00 O ATOM 1320 OE2 GLU A 89 33.157 1.464 -24.526 1.00 0.00 O ATOM 0 H GLU A 89 28.836 0.599 -27.816 1.00 0.00 H new ATOM 0 HA GLU A 89 29.877 -1.739 -26.426 1.00 0.00 H new ATOM 0 HB2 GLU A 89 30.062 1.087 -25.411 1.00 0.00 H new ATOM 0 HB3 GLU A 89 29.799 -0.232 -24.289 1.00 0.00 H new ATOM 0 HG2 GLU A 89 31.857 -1.341 -25.106 1.00 0.00 H new ATOM 0 HG3 GLU A 89 32.120 -0.025 -26.233 1.00 0.00 H new ATOM 1327 N LEU A 90 27.458 -2.061 -25.938 1.00 0.00 N ATOM 1328 CA LEU A 90 26.060 -2.292 -25.623 1.00 0.00 C ATOM 1329 C LEU A 90 25.747 -1.919 -24.193 1.00 0.00 C ATOM 1330 O LEU A 90 26.302 -2.473 -23.245 1.00 0.00 O ATOM 1331 CB LEU A 90 25.711 -3.743 -25.886 1.00 0.00 C ATOM 1332 CG LEU A 90 26.034 -4.170 -27.306 1.00 0.00 C ATOM 1333 CD1 LEU A 90 26.425 -5.632 -27.367 1.00 0.00 C ATOM 1334 CD2 LEU A 90 24.841 -3.878 -28.194 1.00 0.00 C ATOM 0 H LEU A 90 27.984 -2.907 -26.157 1.00 0.00 H new ATOM 0 HA LEU A 90 25.453 -1.655 -26.266 1.00 0.00 H new ATOM 0 HB2 LEU A 90 26.256 -4.377 -25.187 1.00 0.00 H new ATOM 0 HB3 LEU A 90 24.649 -3.898 -25.696 1.00 0.00 H new ATOM 0 HG LEU A 90 26.892 -3.602 -27.664 1.00 0.00 H new ATOM 0 HD11 LEU A 90 26.650 -5.906 -28.398 1.00 0.00 H new ATOM 0 HD12 LEU A 90 27.305 -5.799 -26.747 1.00 0.00 H new ATOM 0 HD13 LEU A 90 25.601 -6.245 -27.000 1.00 0.00 H new ATOM 0 HD21 LEU A 90 25.065 -4.182 -29.216 1.00 0.00 H new ATOM 0 HD22 LEU A 90 23.974 -4.432 -27.833 1.00 0.00 H new ATOM 0 HD23 LEU A 90 24.624 -2.810 -28.172 1.00 0.00 H new ATOM 1346 N GLN A 91 24.846 -0.976 -24.063 1.00 0.00 N ATOM 1347 CA GLN A 91 24.464 -0.453 -22.767 1.00 0.00 C ATOM 1348 C GLN A 91 22.996 -0.063 -22.791 1.00 0.00 C ATOM 1349 O GLN A 91 22.403 0.074 -23.864 1.00 0.00 O ATOM 1350 CB GLN A 91 25.313 0.773 -22.442 1.00 0.00 C ATOM 1351 CG GLN A 91 25.445 1.062 -20.958 1.00 0.00 C ATOM 1352 CD GLN A 91 26.264 2.309 -20.681 1.00 0.00 C ATOM 1353 OE1 GLN A 91 26.016 3.022 -19.708 1.00 0.00 O ATOM 1354 NE2 GLN A 91 27.248 2.576 -21.527 1.00 0.00 N ATOM 0 H GLN A 91 24.356 -0.548 -24.848 1.00 0.00 H new ATOM 0 HA GLN A 91 24.624 -1.216 -22.005 1.00 0.00 H new ATOM 0 HB2 GLN A 91 26.308 0.634 -22.864 1.00 0.00 H new ATOM 0 HB3 GLN A 91 24.878 1.643 -22.933 1.00 0.00 H new ATOM 0 HG2 GLN A 91 24.452 1.179 -20.524 1.00 0.00 H new ATOM 0 HG3 GLN A 91 25.910 0.208 -20.465 1.00 0.00 H new ATOM 0 HE21 GLN A 91 27.420 1.959 -22.321 1.00 0.00 H new ATOM 0 HE22 GLN A 91 27.834 3.399 -21.385 1.00 0.00 H new ATOM 1363 N VAL A 92 22.420 0.138 -21.618 1.00 0.00 N ATOM 1364 CA VAL A 92 21.032 0.550 -21.514 1.00 0.00 C ATOM 1365 C VAL A 92 20.931 2.050 -21.732 1.00 0.00 C ATOM 1366 O VAL A 92 21.704 2.816 -21.158 1.00 0.00 O ATOM 1367 CB VAL A 92 20.430 0.208 -20.138 1.00 0.00 C ATOM 1368 CG1 VAL A 92 18.966 0.606 -20.090 1.00 0.00 C ATOM 1369 CG2 VAL A 92 20.600 -1.273 -19.826 1.00 0.00 C ATOM 0 H VAL A 92 22.894 0.022 -20.722 1.00 0.00 H new ATOM 0 HA VAL A 92 20.471 0.009 -22.276 1.00 0.00 H new ATOM 0 HB VAL A 92 20.966 0.774 -19.376 1.00 0.00 H new ATOM 0 HG11 VAL A 92 18.554 0.358 -19.112 1.00 0.00 H new ATOM 0 HG12 VAL A 92 18.875 1.679 -20.261 1.00 0.00 H new ATOM 0 HG13 VAL A 92 18.417 0.067 -20.862 1.00 0.00 H new ATOM 0 HG21 VAL A 92 20.167 -1.491 -18.850 1.00 0.00 H new ATOM 0 HG22 VAL A 92 20.094 -1.866 -20.588 1.00 0.00 H new ATOM 0 HG23 VAL A 92 21.661 -1.524 -19.817 1.00 0.00 H new ATOM 1379 N GLY A 93 19.997 2.469 -22.567 1.00 0.00 N ATOM 1380 CA GLY A 93 19.857 3.876 -22.845 1.00 0.00 C ATOM 1381 C GLY A 93 20.504 4.257 -24.158 1.00 0.00 C ATOM 1382 O GLY A 93 20.518 5.428 -24.539 1.00 0.00 O ATOM 0 H GLY A 93 19.337 1.863 -23.054 1.00 0.00 H new ATOM 0 HA2 GLY A 93 18.799 4.138 -22.872 1.00 0.00 H new ATOM 0 HA3 GLY A 93 20.308 4.453 -22.037 1.00 0.00 H new ATOM 1386 N MET A 94 21.051 3.266 -24.852 1.00 0.00 N ATOM 1387 CA MET A 94 21.819 3.515 -26.056 1.00 0.00 C ATOM 1388 C MET A 94 20.938 3.475 -27.289 1.00 0.00 C ATOM 1389 O MET A 94 20.029 2.653 -27.397 1.00 0.00 O ATOM 1390 CB MET A 94 22.935 2.490 -26.179 1.00 0.00 C ATOM 1391 CG MET A 94 24.074 2.729 -25.210 1.00 0.00 C ATOM 1392 SD MET A 94 25.478 3.529 -26.002 1.00 0.00 S ATOM 1393 CE MET A 94 25.930 2.258 -27.179 1.00 0.00 C ATOM 0 H MET A 94 20.974 2.281 -24.597 1.00 0.00 H new ATOM 0 HA MET A 94 22.250 4.513 -25.983 1.00 0.00 H new ATOM 0 HB2 MET A 94 22.525 1.494 -26.010 1.00 0.00 H new ATOM 0 HB3 MET A 94 23.323 2.506 -27.197 1.00 0.00 H new ATOM 0 HG2 MET A 94 23.723 3.348 -24.384 1.00 0.00 H new ATOM 0 HG3 MET A 94 24.392 1.778 -24.783 1.00 0.00 H new ATOM 0 HE1 MET A 94 27.011 2.121 -27.169 1.00 0.00 H new ATOM 0 HE2 MET A 94 25.443 1.321 -26.908 1.00 0.00 H new ATOM 0 HE3 MET A 94 25.612 2.557 -28.178 1.00 0.00 H new ATOM 1403 N ARG A 95 21.234 4.368 -28.215 1.00 0.00 N ATOM 1404 CA ARG A 95 20.490 4.474 -29.444 1.00 0.00 C ATOM 1405 C ARG A 95 21.377 4.203 -30.642 1.00 0.00 C ATOM 1406 O ARG A 95 22.502 4.701 -30.729 1.00 0.00 O ATOM 1407 CB ARG A 95 19.853 5.847 -29.552 1.00 0.00 C ATOM 1408 CG ARG A 95 18.585 5.973 -28.748 1.00 0.00 C ATOM 1409 CD ARG A 95 17.777 7.177 -29.183 1.00 0.00 C ATOM 1410 NE ARG A 95 17.276 7.042 -30.550 1.00 0.00 N ATOM 1411 CZ ARG A 95 16.070 7.446 -30.948 1.00 0.00 C ATOM 1412 NH1 ARG A 95 15.195 7.925 -30.070 1.00 0.00 N ATOM 1413 NH2 ARG A 95 15.726 7.346 -32.225 1.00 0.00 N ATOM 0 H ARG A 95 21.998 5.038 -28.131 1.00 0.00 H new ATOM 0 HA ARG A 95 19.702 3.721 -29.434 1.00 0.00 H new ATOM 0 HB2 ARG A 95 20.566 6.600 -29.216 1.00 0.00 H new ATOM 0 HB3 ARG A 95 19.635 6.059 -30.599 1.00 0.00 H new ATOM 0 HG2 ARG A 95 17.987 5.069 -28.864 1.00 0.00 H new ATOM 0 HG3 ARG A 95 18.830 6.059 -27.689 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.937 7.314 -28.502 1.00 0.00 H new ATOM 0 HD3 ARG A 95 18.395 8.072 -29.111 1.00 0.00 H new ATOM 0 HE ARG A 95 17.888 6.611 -31.243 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.444 7.986 -29.083 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.274 8.232 -30.383 1.00 0.00 H new ATOM 0 HH21 ARG A 95 16.384 6.960 -32.902 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.803 7.655 -32.530 1.00 0.00 H new ATOM 1427 N PHE A 96 20.863 3.399 -31.552 1.00 0.00 N ATOM 1428 CA PHE A 96 21.592 3.007 -32.747 1.00 0.00 C ATOM 1429 C PHE A 96 20.629 2.466 -33.792 1.00 0.00 C ATOM 1430 O PHE A 96 19.461 2.194 -33.492 1.00 0.00 O ATOM 1431 CB PHE A 96 22.665 1.960 -32.417 1.00 0.00 C ATOM 1432 CG PHE A 96 22.185 0.809 -31.572 1.00 0.00 C ATOM 1433 CD1 PHE A 96 21.395 -0.192 -32.115 1.00 0.00 C ATOM 1434 CD2 PHE A 96 22.536 0.727 -30.233 1.00 0.00 C ATOM 1435 CE1 PHE A 96 20.966 -1.250 -31.337 1.00 0.00 C ATOM 1436 CE2 PHE A 96 22.111 -0.324 -29.455 1.00 0.00 C ATOM 1437 CZ PHE A 96 21.324 -1.317 -30.007 1.00 0.00 C ATOM 0 H PHE A 96 19.928 2.998 -31.486 1.00 0.00 H new ATOM 0 HA PHE A 96 22.092 3.888 -33.148 1.00 0.00 H new ATOM 0 HB2 PHE A 96 23.066 1.565 -33.350 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.488 2.454 -31.900 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.112 -0.144 -33.156 1.00 0.00 H new ATOM 0 HD2 PHE A 96 23.151 1.499 -29.795 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.350 -2.024 -31.770 1.00 0.00 H new ATOM 0 HE2 PHE A 96 22.392 -0.374 -28.413 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.990 -2.144 -29.398 1.00 0.00 H new ATOM 1447 N LEU A 97 21.114 2.321 -35.013 1.00 0.00 N ATOM 1448 CA LEU A 97 20.296 1.797 -36.091 1.00 0.00 C ATOM 1449 C LEU A 97 20.446 0.286 -36.177 1.00 0.00 C ATOM 1450 O LEU A 97 21.549 -0.247 -36.076 1.00 0.00 O ATOM 1451 CB LEU A 97 20.670 2.441 -37.430 1.00 0.00 C ATOM 1452 CG LEU A 97 19.803 2.040 -38.610 1.00 0.00 C ATOM 1453 CD1 LEU A 97 18.353 2.397 -38.333 1.00 0.00 C ATOM 1454 CD2 LEU A 97 20.287 2.721 -39.878 1.00 0.00 C ATOM 0 H LEU A 97 22.069 2.559 -35.282 1.00 0.00 H new ATOM 0 HA LEU A 97 19.256 2.040 -35.876 1.00 0.00 H new ATOM 0 HB2 LEU A 97 20.624 3.524 -37.318 1.00 0.00 H new ATOM 0 HB3 LEU A 97 21.705 2.188 -37.659 1.00 0.00 H new ATOM 0 HG LEU A 97 19.877 0.962 -38.752 1.00 0.00 H new ATOM 0 HD11 LEU A 97 17.738 2.106 -39.184 1.00 0.00 H new ATOM 0 HD12 LEU A 97 18.012 1.870 -37.442 1.00 0.00 H new ATOM 0 HD13 LEU A 97 18.267 3.472 -38.174 1.00 0.00 H new ATOM 0 HD21 LEU A 97 19.655 2.423 -40.715 1.00 0.00 H new ATOM 0 HD22 LEU A 97 20.237 3.803 -39.752 1.00 0.00 H new ATOM 0 HD23 LEU A 97 21.317 2.427 -40.079 1.00 0.00 H new ATOM 1466 N ALA A 98 19.329 -0.387 -36.371 1.00 0.00 N ATOM 1467 CA ALA A 98 19.306 -1.830 -36.474 1.00 0.00 C ATOM 1468 C ALA A 98 18.666 -2.218 -37.782 1.00 0.00 C ATOM 1469 O ALA A 98 17.682 -1.621 -38.179 1.00 0.00 O ATOM 1470 CB ALA A 98 18.515 -2.433 -35.323 1.00 0.00 C ATOM 0 H ALA A 98 18.413 0.052 -36.461 1.00 0.00 H new ATOM 0 HA ALA A 98 20.327 -2.208 -36.430 1.00 0.00 H new ATOM 0 HB1 ALA A 98 18.508 -3.519 -35.416 1.00 0.00 H new ATOM 0 HB2 ALA A 98 18.978 -2.153 -34.377 1.00 0.00 H new ATOM 0 HB3 ALA A 98 17.491 -2.060 -35.350 1.00 0.00 H new ATOM 1476 N GLU A 99 19.212 -3.196 -38.462 1.00 0.00 N ATOM 1477 CA GLU A 99 18.565 -3.688 -39.657 1.00 0.00 C ATOM 1478 C GLU A 99 17.494 -4.689 -39.251 1.00 0.00 C ATOM 1479 O GLU A 99 17.658 -5.415 -38.270 1.00 0.00 O ATOM 1480 CB GLU A 99 19.579 -4.310 -40.620 1.00 0.00 C ATOM 1481 CG GLU A 99 20.652 -3.329 -41.062 1.00 0.00 C ATOM 1482 CD GLU A 99 21.461 -3.827 -42.243 1.00 0.00 C ATOM 1483 OE1 GLU A 99 22.459 -4.546 -42.034 1.00 0.00 O ATOM 1484 OE2 GLU A 99 21.105 -3.485 -43.394 1.00 0.00 O ATOM 0 H GLU A 99 20.086 -3.661 -38.217 1.00 0.00 H new ATOM 0 HA GLU A 99 18.100 -2.858 -40.189 1.00 0.00 H new ATOM 0 HB2 GLU A 99 20.052 -5.166 -40.139 1.00 0.00 H new ATOM 0 HB3 GLU A 99 19.055 -4.688 -41.498 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.183 -2.380 -41.324 1.00 0.00 H new ATOM 0 HG3 GLU A 99 21.323 -3.133 -40.226 1.00 0.00 H new ATOM 1491 N THR A 100 16.411 -4.739 -40.007 1.00 0.00 N ATOM 1492 CA THR A 100 15.288 -5.602 -39.650 1.00 0.00 C ATOM 1493 C THR A 100 14.633 -6.141 -40.914 1.00 0.00 C ATOM 1494 O THR A 100 15.117 -5.888 -42.020 1.00 0.00 O ATOM 1495 CB THR A 100 14.206 -4.904 -38.783 1.00 0.00 C ATOM 1496 OG1 THR A 100 13.512 -3.917 -39.548 1.00 0.00 O ATOM 1497 CG2 THR A 100 14.804 -4.258 -37.541 1.00 0.00 C ATOM 0 H THR A 100 16.281 -4.200 -40.863 1.00 0.00 H new ATOM 0 HA THR A 100 15.708 -6.406 -39.045 1.00 0.00 H new ATOM 0 HB THR A 100 13.506 -5.675 -38.461 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.102 -3.574 -40.251 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.013 -3.781 -36.962 1.00 0.00 H new ATOM 0 HG22 THR A 100 15.289 -5.021 -36.932 1.00 0.00 H new ATOM 0 HG23 THR A 100 15.538 -3.509 -37.838 1.00 0.00 H new ATOM 1505 N ASP A 101 13.539 -6.870 -40.753 1.00 0.00 N ATOM 1506 CA ASP A 101 12.779 -7.391 -41.887 1.00 0.00 C ATOM 1507 C ASP A 101 12.194 -6.254 -42.702 1.00 0.00 C ATOM 1508 O ASP A 101 11.911 -6.387 -43.893 1.00 0.00 O ATOM 1509 CB ASP A 101 11.640 -8.282 -41.399 1.00 0.00 C ATOM 1510 CG ASP A 101 12.119 -9.542 -40.708 1.00 0.00 C ATOM 1511 OD1 ASP A 101 12.722 -9.439 -39.616 1.00 0.00 O ATOM 1512 OD2 ASP A 101 11.879 -10.644 -41.242 1.00 0.00 O ATOM 0 H ASP A 101 13.153 -7.117 -39.842 1.00 0.00 H new ATOM 0 HA ASP A 101 13.460 -7.973 -42.508 1.00 0.00 H new ATOM 0 HB2 ASP A 101 11.013 -7.715 -40.711 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.014 -8.557 -42.248 1.00 0.00 H new ATOM 1517 N GLN A 102 12.037 -5.127 -42.042 1.00 0.00 N ATOM 1518 CA GLN A 102 11.344 -3.986 -42.589 1.00 0.00 C ATOM 1519 C GLN A 102 12.319 -2.852 -42.867 1.00 0.00 C ATOM 1520 O GLN A 102 11.946 -1.677 -42.856 1.00 0.00 O ATOM 1521 CB GLN A 102 10.290 -3.552 -41.584 1.00 0.00 C ATOM 1522 CG GLN A 102 10.385 -4.324 -40.275 1.00 0.00 C ATOM 1523 CD GLN A 102 9.264 -4.029 -39.305 1.00 0.00 C ATOM 1524 OE1 GLN A 102 8.698 -2.939 -39.288 1.00 0.00 O ATOM 1525 NE2 GLN A 102 8.948 -5.010 -38.478 1.00 0.00 N ATOM 0 H GLN A 102 12.393 -4.978 -41.098 1.00 0.00 H new ATOM 0 HA GLN A 102 10.872 -4.251 -43.535 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.400 -2.486 -41.383 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.299 -3.694 -42.016 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.390 -5.392 -40.494 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.336 -4.092 -39.796 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.445 -5.899 -38.528 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.207 -4.878 -37.790 1.00 0.00 H new ATOM 1534 N GLY A 103 13.570 -3.213 -43.112 1.00 0.00 N ATOM 1535 CA GLY A 103 14.592 -2.208 -43.322 1.00 0.00 C ATOM 1536 C GLY A 103 15.197 -1.765 -42.012 1.00 0.00 C ATOM 1537 O GLY A 103 14.838 -2.285 -40.961 1.00 0.00 O ATOM 0 H GLY A 103 13.895 -4.178 -43.169 1.00 0.00 H new ATOM 0 HA2 GLY A 103 15.372 -2.608 -43.969 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.161 -1.349 -43.836 1.00 0.00 H new ATOM 1541 N PRO A 104 16.144 -0.832 -42.037 1.00 0.00 N ATOM 1542 CA PRO A 104 16.727 -0.278 -40.820 1.00 0.00 C ATOM 1543 C PRO A 104 15.687 0.354 -39.897 1.00 0.00 C ATOM 1544 O PRO A 104 14.830 1.126 -40.325 1.00 0.00 O ATOM 1545 CB PRO A 104 17.685 0.790 -41.326 1.00 0.00 C ATOM 1546 CG PRO A 104 17.990 0.403 -42.732 1.00 0.00 C ATOM 1547 CD PRO A 104 16.754 -0.274 -43.250 1.00 0.00 C ATOM 0 HA PRO A 104 17.204 -1.057 -40.225 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.232 1.780 -41.279 1.00 0.00 H new ATOM 0 HB3 PRO A 104 18.591 0.825 -40.721 1.00 0.00 H new ATOM 0 HG2 PRO A 104 18.237 1.278 -43.333 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.849 -0.266 -42.775 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.088 0.430 -43.748 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.995 -1.052 -43.974 1.00 0.00 H new ATOM 1555 N VAL A 105 15.797 0.013 -38.634 1.00 0.00 N ATOM 1556 CA VAL A 105 14.950 0.551 -37.581 1.00 0.00 C ATOM 1557 C VAL A 105 15.821 1.057 -36.433 1.00 0.00 C ATOM 1558 O VAL A 105 16.547 0.282 -35.813 1.00 0.00 O ATOM 1559 CB VAL A 105 13.967 -0.510 -37.038 1.00 0.00 C ATOM 1560 CG1 VAL A 105 13.129 0.059 -35.902 1.00 0.00 C ATOM 1561 CG2 VAL A 105 13.069 -1.037 -38.145 1.00 0.00 C ATOM 0 H VAL A 105 16.488 -0.658 -38.298 1.00 0.00 H new ATOM 0 HA VAL A 105 14.368 1.368 -38.008 1.00 0.00 H new ATOM 0 HB VAL A 105 14.555 -1.341 -36.650 1.00 0.00 H new ATOM 0 HG11 VAL A 105 12.445 -0.706 -35.536 1.00 0.00 H new ATOM 0 HG12 VAL A 105 13.784 0.378 -35.091 1.00 0.00 H new ATOM 0 HG13 VAL A 105 12.558 0.914 -36.264 1.00 0.00 H new ATOM 0 HG21 VAL A 105 12.387 -1.782 -37.736 1.00 0.00 H new ATOM 0 HG22 VAL A 105 12.495 -0.214 -38.571 1.00 0.00 H new ATOM 0 HG23 VAL A 105 13.681 -1.493 -38.923 1.00 0.00 H new ATOM 1571 N PRO A 106 15.789 2.368 -36.153 1.00 0.00 N ATOM 1572 CA PRO A 106 16.562 2.966 -35.069 1.00 0.00 C ATOM 1573 C PRO A 106 15.882 2.751 -33.725 1.00 0.00 C ATOM 1574 O PRO A 106 14.800 3.286 -33.478 1.00 0.00 O ATOM 1575 CB PRO A 106 16.597 4.464 -35.423 1.00 0.00 C ATOM 1576 CG PRO A 106 15.859 4.603 -36.721 1.00 0.00 C ATOM 1577 CD PRO A 106 15.003 3.378 -36.857 1.00 0.00 C ATOM 0 HA PRO A 106 17.555 2.527 -34.976 1.00 0.00 H new ATOM 0 HB2 PRO A 106 16.126 5.060 -34.641 1.00 0.00 H new ATOM 0 HB3 PRO A 106 17.624 4.818 -35.519 1.00 0.00 H new ATOM 0 HG2 PRO A 106 15.248 5.506 -36.725 1.00 0.00 H new ATOM 0 HG3 PRO A 106 16.555 4.685 -37.556 1.00 0.00 H new ATOM 0 HD2 PRO A 106 14.021 3.516 -36.405 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.839 3.111 -37.901 1.00 0.00 H new ATOM 1585 N VAL A 107 16.497 1.962 -32.857 1.00 0.00 N ATOM 1586 CA VAL A 107 15.893 1.620 -31.577 1.00 0.00 C ATOM 1587 C VAL A 107 16.744 2.116 -30.417 1.00 0.00 C ATOM 1588 O VAL A 107 17.816 2.691 -30.622 1.00 0.00 O ATOM 1589 CB VAL A 107 15.725 0.093 -31.442 1.00 0.00 C ATOM 1590 CG1 VAL A 107 14.546 -0.389 -32.267 1.00 0.00 C ATOM 1591 CG2 VAL A 107 17.001 -0.621 -31.871 1.00 0.00 C ATOM 0 H VAL A 107 17.415 1.546 -33.015 1.00 0.00 H new ATOM 0 HA VAL A 107 14.917 2.104 -31.544 1.00 0.00 H new ATOM 0 HB VAL A 107 15.531 -0.141 -30.395 1.00 0.00 H new ATOM 0 HG11 VAL A 107 14.444 -1.469 -32.159 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.635 0.099 -31.919 1.00 0.00 H new ATOM 0 HG13 VAL A 107 14.711 -0.143 -33.316 1.00 0.00 H new ATOM 0 HG21 VAL A 107 16.867 -1.698 -31.770 1.00 0.00 H new ATOM 0 HG22 VAL A 107 17.222 -0.379 -32.911 1.00 0.00 H new ATOM 0 HG23 VAL A 107 17.829 -0.298 -31.240 1.00 0.00 H new ATOM 1601 N GLU A 108 16.259 1.886 -29.201 1.00 0.00 N ATOM 1602 CA GLU A 108 16.990 2.253 -27.999 1.00 0.00 C ATOM 1603 C GLU A 108 16.956 1.108 -26.998 1.00 0.00 C ATOM 1604 O GLU A 108 15.893 0.548 -26.717 1.00 0.00 O ATOM 1605 CB GLU A 108 16.407 3.524 -27.366 1.00 0.00 C ATOM 1606 CG GLU A 108 17.153 3.989 -26.118 1.00 0.00 C ATOM 1607 CD GLU A 108 16.587 5.272 -25.541 1.00 0.00 C ATOM 1608 OE1 GLU A 108 16.926 6.359 -26.052 1.00 0.00 O ATOM 1609 OE2 GLU A 108 15.809 5.204 -24.568 1.00 0.00 O ATOM 0 H GLU A 108 15.357 1.444 -29.024 1.00 0.00 H new ATOM 0 HA GLU A 108 18.024 2.455 -28.277 1.00 0.00 H new ATOM 0 HB2 GLU A 108 16.419 4.325 -28.105 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.363 3.344 -27.108 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.110 3.206 -25.361 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.205 4.139 -26.363 1.00 0.00 H new ATOM 1616 N ILE A 109 18.125 0.763 -26.478 1.00 0.00 N ATOM 1617 CA ILE A 109 18.241 -0.333 -25.531 1.00 0.00 C ATOM 1618 C ILE A 109 17.644 0.064 -24.186 1.00 0.00 C ATOM 1619 O ILE A 109 17.959 1.123 -23.650 1.00 0.00 O ATOM 1620 CB ILE A 109 19.710 -0.787 -25.328 1.00 0.00 C ATOM 1621 CG1 ILE A 109 20.282 -1.397 -26.614 1.00 0.00 C ATOM 1622 CG2 ILE A 109 19.802 -1.779 -24.186 1.00 0.00 C ATOM 1623 CD1 ILE A 109 21.689 -1.963 -26.464 1.00 0.00 C ATOM 0 H ILE A 109 19.006 1.227 -26.697 1.00 0.00 H new ATOM 0 HA ILE A 109 17.688 -1.173 -25.952 1.00 0.00 H new ATOM 0 HB ILE A 109 20.304 0.092 -25.078 1.00 0.00 H new ATOM 0 HG12 ILE A 109 19.617 -2.191 -26.953 1.00 0.00 H new ATOM 0 HG13 ILE A 109 20.290 -0.634 -27.392 1.00 0.00 H new ATOM 0 HG21 ILE A 109 20.839 -2.089 -24.056 1.00 0.00 H new ATOM 0 HG22 ILE A 109 19.445 -1.312 -23.268 1.00 0.00 H new ATOM 0 HG23 ILE A 109 19.189 -2.651 -24.412 1.00 0.00 H new ATOM 0 HD11 ILE A 109 22.019 -2.375 -27.418 1.00 0.00 H new ATOM 0 HD12 ILE A 109 22.370 -1.169 -26.156 1.00 0.00 H new ATOM 0 HD13 ILE A 109 21.686 -2.751 -25.710 1.00 0.00 H new ATOM 1635 N THR A 110 16.786 -0.786 -23.644 1.00 0.00 N ATOM 1636 CA THR A 110 16.172 -0.527 -22.355 1.00 0.00 C ATOM 1637 C THR A 110 16.679 -1.521 -21.316 1.00 0.00 C ATOM 1638 O THR A 110 16.328 -1.441 -20.138 1.00 0.00 O ATOM 1639 CB THR A 110 14.635 -0.602 -22.446 1.00 0.00 C ATOM 1640 OG1 THR A 110 14.244 -1.799 -23.127 1.00 0.00 O ATOM 1641 CG2 THR A 110 14.076 0.608 -23.180 1.00 0.00 C ATOM 0 H THR A 110 16.500 -1.663 -24.079 1.00 0.00 H new ATOM 0 HA THR A 110 16.449 0.482 -22.050 1.00 0.00 H new ATOM 0 HB THR A 110 14.233 -0.611 -21.433 1.00 0.00 H new ATOM 0 HG1 THR A 110 13.266 -1.841 -23.180 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.990 0.532 -23.232 1.00 0.00 H new ATOM 0 HG22 THR A 110 14.352 1.517 -22.645 1.00 0.00 H new ATOM 0 HG23 THR A 110 14.486 0.642 -24.190 1.00 0.00 H new ATOM 1649 N ALA A 111 17.532 -2.440 -21.769 1.00 0.00 N ATOM 1650 CA ALA A 111 18.116 -3.467 -20.913 1.00 0.00 C ATOM 1651 C ALA A 111 19.128 -4.288 -21.685 1.00 0.00 C ATOM 1652 O ALA A 111 19.004 -4.475 -22.897 1.00 0.00 O ATOM 1653 CB ALA A 111 17.049 -4.388 -20.347 1.00 0.00 C ATOM 0 H ALA A 111 17.836 -2.491 -22.741 1.00 0.00 H new ATOM 0 HA ALA A 111 18.613 -2.959 -20.086 1.00 0.00 H new ATOM 0 HB1 ALA A 111 17.517 -5.142 -19.714 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.342 -3.806 -19.756 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.521 -4.878 -21.165 1.00 0.00 H new ATOM 1659 N VAL A 112 20.117 -4.786 -20.968 1.00 0.00 N ATOM 1660 CA VAL A 112 21.172 -5.589 -21.548 1.00 0.00 C ATOM 1661 C VAL A 112 21.474 -6.731 -20.606 1.00 0.00 C ATOM 1662 O VAL A 112 22.053 -6.524 -19.538 1.00 0.00 O ATOM 1663 CB VAL A 112 22.464 -4.769 -21.781 1.00 0.00 C ATOM 1664 CG1 VAL A 112 23.564 -5.631 -22.397 1.00 0.00 C ATOM 1665 CG2 VAL A 112 22.176 -3.569 -22.659 1.00 0.00 C ATOM 0 H VAL A 112 20.210 -4.643 -19.962 1.00 0.00 H new ATOM 0 HA VAL A 112 20.833 -5.954 -22.518 1.00 0.00 H new ATOM 0 HB VAL A 112 22.819 -4.418 -20.812 1.00 0.00 H new ATOM 0 HG11 VAL A 112 24.458 -5.026 -22.548 1.00 0.00 H new ATOM 0 HG12 VAL A 112 23.795 -6.459 -21.727 1.00 0.00 H new ATOM 0 HG13 VAL A 112 23.225 -6.023 -23.356 1.00 0.00 H new ATOM 0 HG21 VAL A 112 23.094 -3.003 -22.814 1.00 0.00 H new ATOM 0 HG22 VAL A 112 21.791 -3.906 -23.621 1.00 0.00 H new ATOM 0 HG23 VAL A 112 21.435 -2.933 -22.175 1.00 0.00 H new ATOM 1675 N GLU A 113 21.062 -7.928 -20.973 1.00 0.00 N ATOM 1676 CA GLU A 113 21.349 -9.103 -20.177 1.00 0.00 C ATOM 1677 C GLU A 113 22.718 -9.638 -20.574 1.00 0.00 C ATOM 1678 O GLU A 113 23.535 -8.902 -21.125 1.00 0.00 O ATOM 1679 CB GLU A 113 20.281 -10.167 -20.428 1.00 0.00 C ATOM 1680 CG GLU A 113 18.860 -9.656 -20.268 1.00 0.00 C ATOM 1681 CD GLU A 113 18.509 -9.338 -18.832 1.00 0.00 C ATOM 1682 OE1 GLU A 113 18.770 -8.203 -18.383 1.00 0.00 O ATOM 1683 OE2 GLU A 113 17.957 -10.227 -18.151 1.00 0.00 O ATOM 0 H GLU A 113 20.525 -8.112 -21.821 1.00 0.00 H new ATOM 0 HA GLU A 113 21.347 -8.846 -19.118 1.00 0.00 H new ATOM 0 HB2 GLU A 113 20.404 -10.562 -21.436 1.00 0.00 H new ATOM 0 HB3 GLU A 113 20.439 -10.997 -19.739 1.00 0.00 H new ATOM 0 HG2 GLU A 113 18.730 -8.760 -20.876 1.00 0.00 H new ATOM 0 HG3 GLU A 113 18.165 -10.404 -20.650 1.00 0.00 H new ATOM 1690 N ASP A 114 22.967 -10.913 -20.323 1.00 0.00 N ATOM 1691 CA ASP A 114 24.270 -11.482 -20.628 1.00 0.00 C ATOM 1692 C ASP A 114 24.489 -11.628 -22.133 1.00 0.00 C ATOM 1693 O ASP A 114 25.473 -11.120 -22.664 1.00 0.00 O ATOM 1694 CB ASP A 114 24.443 -12.835 -19.938 1.00 0.00 C ATOM 1695 CG ASP A 114 24.491 -12.706 -18.431 1.00 0.00 C ATOM 1696 OD1 ASP A 114 25.503 -12.200 -17.904 1.00 0.00 O ATOM 1697 OD2 ASP A 114 23.508 -13.092 -17.763 1.00 0.00 O ATOM 0 H ASP A 114 22.296 -11.565 -19.916 1.00 0.00 H new ATOM 0 HA ASP A 114 25.021 -10.790 -20.248 1.00 0.00 H new ATOM 0 HB2 ASP A 114 23.620 -13.492 -20.219 1.00 0.00 H new ATOM 0 HB3 ASP A 114 25.361 -13.306 -20.290 1.00 0.00 H new ATOM 1702 N ASP A 115 23.576 -12.299 -22.834 1.00 0.00 N ATOM 1703 CA ASP A 115 23.754 -12.482 -24.278 1.00 0.00 C ATOM 1704 C ASP A 115 22.647 -11.842 -25.111 1.00 0.00 C ATOM 1705 O ASP A 115 22.621 -11.991 -26.332 1.00 0.00 O ATOM 1706 CB ASP A 115 23.836 -13.964 -24.633 1.00 0.00 C ATOM 1707 CG ASP A 115 24.854 -14.721 -23.808 1.00 0.00 C ATOM 1708 OD1 ASP A 115 26.069 -14.542 -24.033 1.00 0.00 O ATOM 1709 OD2 ASP A 115 24.439 -15.512 -22.937 1.00 0.00 O ATOM 0 H ASP A 115 22.730 -12.714 -22.443 1.00 0.00 H new ATOM 0 HA ASP A 115 24.690 -11.978 -24.521 1.00 0.00 H new ATOM 0 HB2 ASP A 115 22.855 -14.419 -24.494 1.00 0.00 H new ATOM 0 HB3 ASP A 115 24.087 -14.064 -25.689 1.00 0.00 H new ATOM 1714 N HIS A 116 21.742 -11.113 -24.487 1.00 0.00 N ATOM 1715 CA HIS A 116 20.681 -10.463 -25.245 1.00 0.00 C ATOM 1716 C HIS A 116 20.311 -9.126 -24.648 1.00 0.00 C ATOM 1717 O HIS A 116 20.408 -8.929 -23.443 1.00 0.00 O ATOM 1718 CB HIS A 116 19.446 -11.365 -25.353 1.00 0.00 C ATOM 1719 CG HIS A 116 18.881 -11.830 -24.039 1.00 0.00 C ATOM 1720 ND1 HIS A 116 19.275 -12.998 -23.418 1.00 0.00 N ATOM 1721 CD2 HIS A 116 17.944 -11.278 -23.232 1.00 0.00 C ATOM 1722 CE1 HIS A 116 18.608 -13.142 -22.289 1.00 0.00 C ATOM 1723 NE2 HIS A 116 17.795 -12.113 -22.153 1.00 0.00 N ATOM 0 H HIS A 116 21.715 -10.955 -23.480 1.00 0.00 H new ATOM 0 HA HIS A 116 21.064 -10.286 -26.250 1.00 0.00 H new ATOM 0 HB2 HIS A 116 18.668 -10.827 -25.896 1.00 0.00 H new ATOM 0 HB3 HIS A 116 19.705 -12.240 -25.950 1.00 0.00 H new ATOM 0 HD1 HIS A 116 19.974 -13.649 -23.776 1.00 0.00 H new ATOM 0 HD2 HIS A 116 17.413 -10.354 -23.405 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.710 -13.963 -21.595 1.00 0.00 H new ATOM 1732 N VAL A 117 19.908 -8.201 -25.503 1.00 0.00 N ATOM 1733 CA VAL A 117 19.466 -6.891 -25.060 1.00 0.00 C ATOM 1734 C VAL A 117 18.008 -6.712 -25.417 1.00 0.00 C ATOM 1735 O VAL A 117 17.457 -7.491 -26.195 1.00 0.00 O ATOM 1736 CB VAL A 117 20.277 -5.753 -25.700 1.00 0.00 C ATOM 1737 CG1 VAL A 117 21.709 -5.820 -25.234 1.00 0.00 C ATOM 1738 CG2 VAL A 117 20.202 -5.817 -27.215 1.00 0.00 C ATOM 0 H VAL A 117 19.878 -8.335 -26.514 1.00 0.00 H new ATOM 0 HA VAL A 117 19.615 -6.842 -23.981 1.00 0.00 H new ATOM 0 HB VAL A 117 19.848 -4.801 -25.387 1.00 0.00 H new ATOM 0 HG11 VAL A 117 22.279 -5.011 -25.691 1.00 0.00 H new ATOM 0 HG12 VAL A 117 21.744 -5.720 -24.149 1.00 0.00 H new ATOM 0 HG13 VAL A 117 22.142 -6.777 -25.524 1.00 0.00 H new ATOM 0 HG21 VAL A 117 20.784 -5.001 -27.643 1.00 0.00 H new ATOM 0 HG22 VAL A 117 20.605 -6.770 -27.559 1.00 0.00 H new ATOM 0 HG23 VAL A 117 19.163 -5.727 -27.532 1.00 0.00 H new ATOM 1748 N VAL A 118 17.400 -5.694 -24.863 1.00 0.00 N ATOM 1749 CA VAL A 118 15.996 -5.432 -25.089 1.00 0.00 C ATOM 1750 C VAL A 118 15.814 -4.034 -25.665 1.00 0.00 C ATOM 1751 O VAL A 118 16.165 -3.044 -25.025 1.00 0.00 O ATOM 1752 CB VAL A 118 15.189 -5.568 -23.776 1.00 0.00 C ATOM 1753 CG1 VAL A 118 13.711 -5.316 -24.018 1.00 0.00 C ATOM 1754 CG2 VAL A 118 15.398 -6.942 -23.157 1.00 0.00 C ATOM 0 H VAL A 118 17.859 -5.025 -24.245 1.00 0.00 H new ATOM 0 HA VAL A 118 15.622 -6.168 -25.800 1.00 0.00 H new ATOM 0 HB VAL A 118 15.554 -4.814 -23.078 1.00 0.00 H new ATOM 0 HG11 VAL A 118 13.166 -5.418 -23.079 1.00 0.00 H new ATOM 0 HG12 VAL A 118 13.573 -4.308 -24.410 1.00 0.00 H new ATOM 0 HG13 VAL A 118 13.331 -6.041 -24.738 1.00 0.00 H new ATOM 0 HG21 VAL A 118 14.822 -7.017 -22.235 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.066 -7.710 -23.856 1.00 0.00 H new ATOM 0 HG23 VAL A 118 16.456 -7.085 -22.937 1.00 0.00 H new ATOM 1764 N VAL A 119 15.316 -3.961 -26.891 1.00 0.00 N ATOM 1765 CA VAL A 119 14.998 -2.680 -27.505 1.00 0.00 C ATOM 1766 C VAL A 119 13.523 -2.606 -27.833 1.00 0.00 C ATOM 1767 O VAL A 119 12.954 -3.531 -28.409 1.00 0.00 O ATOM 1768 CB VAL A 119 15.821 -2.388 -28.778 1.00 0.00 C ATOM 1769 CG1 VAL A 119 17.202 -1.903 -28.414 1.00 0.00 C ATOM 1770 CG2 VAL A 119 15.916 -3.607 -29.668 1.00 0.00 C ATOM 0 H VAL A 119 15.124 -4.772 -27.479 1.00 0.00 H new ATOM 0 HA VAL A 119 15.263 -1.919 -26.771 1.00 0.00 H new ATOM 0 HB VAL A 119 15.304 -1.605 -29.333 1.00 0.00 H new ATOM 0 HG11 VAL A 119 17.768 -1.702 -29.323 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.123 -0.989 -27.826 1.00 0.00 H new ATOM 0 HG13 VAL A 119 17.714 -2.667 -27.829 1.00 0.00 H new ATOM 0 HG21 VAL A 119 16.502 -3.365 -30.555 1.00 0.00 H new ATOM 0 HG22 VAL A 119 16.399 -4.418 -29.124 1.00 0.00 H new ATOM 0 HG23 VAL A 119 14.915 -3.917 -29.968 1.00 0.00 H new ATOM 1780 N ASP A 120 12.906 -1.519 -27.427 1.00 0.00 N ATOM 1781 CA ASP A 120 11.474 -1.345 -27.624 1.00 0.00 C ATOM 1782 C ASP A 120 11.194 -0.299 -28.694 1.00 0.00 C ATOM 1783 O ASP A 120 12.006 0.600 -28.926 1.00 0.00 O ATOM 1784 CB ASP A 120 10.818 -0.928 -26.306 1.00 0.00 C ATOM 1785 CG ASP A 120 9.364 -1.349 -26.213 1.00 0.00 C ATOM 1786 OD1 ASP A 120 8.619 -1.184 -27.205 1.00 0.00 O ATOM 1787 OD2 ASP A 120 8.964 -1.853 -25.145 1.00 0.00 O ATOM 0 H ASP A 120 13.368 -0.740 -26.958 1.00 0.00 H new ATOM 0 HA ASP A 120 11.055 -2.295 -27.956 1.00 0.00 H new ATOM 0 HB2 ASP A 120 11.372 -1.366 -25.476 1.00 0.00 H new ATOM 0 HB3 ASP A 120 10.885 0.155 -26.199 1.00 0.00 H new ATOM 1915 N LEU A 130 5.551 3.049 -10.579 1.00 0.00 N ATOM 1916 CA LEU A 130 4.612 2.909 -9.483 1.00 0.00 C ATOM 1917 C LEU A 130 5.366 2.760 -8.180 1.00 0.00 C ATOM 1918 O LEU A 130 6.514 2.310 -8.165 1.00 0.00 O ATOM 1919 CB LEU A 130 3.695 1.705 -9.702 1.00 0.00 C ATOM 1920 CG LEU A 130 2.695 1.838 -10.852 1.00 0.00 C ATOM 1921 CD1 LEU A 130 2.004 0.510 -11.095 1.00 0.00 C ATOM 1922 CD2 LEU A 130 1.663 2.917 -10.551 1.00 0.00 C ATOM 0 HA LEU A 130 3.992 3.805 -9.440 1.00 0.00 H new ATOM 0 HB2 LEU A 130 4.315 0.827 -9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.141 1.520 -8.782 1.00 0.00 H new ATOM 0 HG LEU A 130 3.241 2.127 -11.750 1.00 0.00 H new ATOM 0 HD11 LEU A 130 1.294 0.614 -11.915 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.747 -0.245 -11.352 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.474 0.205 -10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.963 2.993 -11.383 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.120 2.658 -9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.167 3.874 -10.412 1.00 0.00 H new ATOM 1934 N LYS A 131 4.723 3.127 -7.089 1.00 0.00 N ATOM 1935 CA LYS A 131 5.341 3.085 -5.786 1.00 0.00 C ATOM 1936 C LYS A 131 4.510 2.246 -4.846 1.00 0.00 C ATOM 1937 O LYS A 131 3.324 2.510 -4.635 1.00 0.00 O ATOM 1938 CB LYS A 131 5.510 4.491 -5.229 1.00 0.00 C ATOM 1939 CG LYS A 131 6.737 5.191 -5.767 1.00 0.00 C ATOM 1940 CD LYS A 131 6.690 6.688 -5.518 1.00 0.00 C ATOM 1941 CE LYS A 131 6.468 7.001 -4.049 1.00 0.00 C ATOM 1942 NZ LYS A 131 6.602 8.454 -3.768 1.00 0.00 N ATOM 0 H LYS A 131 3.759 3.462 -7.085 1.00 0.00 H new ATOM 0 HA LYS A 131 6.328 2.633 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 131 4.626 5.081 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 131 5.573 4.441 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 131 7.628 4.773 -5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 131 6.822 5.004 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.623 7.143 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 131 5.890 7.132 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 131 5.475 6.663 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 131 7.187 6.446 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 6.444 8.628 -2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.558 8.771 -4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 5.899 8.981 -4.324 1.00 0.00 H new ATOM 1956 N PHE A 132 5.142 1.233 -4.303 1.00 0.00 N ATOM 1957 CA PHE A 132 4.469 0.291 -3.431 1.00 0.00 C ATOM 1958 C PHE A 132 5.091 0.338 -2.052 1.00 0.00 C ATOM 1959 O PHE A 132 6.309 0.446 -1.921 1.00 0.00 O ATOM 1960 CB PHE A 132 4.595 -1.136 -3.976 1.00 0.00 C ATOM 1961 CG PHE A 132 4.602 -1.227 -5.475 1.00 0.00 C ATOM 1962 CD1 PHE A 132 3.418 -1.289 -6.189 1.00 0.00 C ATOM 1963 CD2 PHE A 132 5.802 -1.250 -6.168 1.00 0.00 C ATOM 1964 CE1 PHE A 132 3.431 -1.371 -7.568 1.00 0.00 C ATOM 1965 CE2 PHE A 132 5.821 -1.333 -7.544 1.00 0.00 C ATOM 1966 CZ PHE A 132 4.635 -1.393 -8.246 1.00 0.00 C ATOM 0 H PHE A 132 6.132 1.036 -4.450 1.00 0.00 H new ATOM 0 HA PHE A 132 3.416 0.566 -3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 132 5.514 -1.579 -3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 132 3.769 -1.734 -3.591 1.00 0.00 H new ATOM 0 HD1 PHE A 132 2.475 -1.273 -5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 132 6.733 -1.202 -5.624 1.00 0.00 H new ATOM 0 HE1 PHE A 132 2.501 -1.418 -8.116 1.00 0.00 H new ATOM 0 HE2 PHE A 132 6.763 -1.351 -8.072 1.00 0.00 H new ATOM 0 HZ PHE A 132 4.647 -1.457 -9.324 1.00 0.00 H new ATOM 1976 N ASN A 133 4.271 0.267 -1.024 1.00 0.00 N ATOM 1977 CA ASN A 133 4.771 0.070 0.321 1.00 0.00 C ATOM 1978 C ASN A 133 4.386 -1.333 0.737 1.00 0.00 C ATOM 1979 O ASN A 133 3.209 -1.603 0.978 1.00 0.00 O ATOM 1980 CB ASN A 133 4.154 1.094 1.281 1.00 0.00 C ATOM 1981 CG ASN A 133 4.418 2.524 0.859 1.00 0.00 C ATOM 1982 OD1 ASN A 133 3.666 3.107 0.078 1.00 0.00 O ATOM 1983 ND2 ASN A 133 5.482 3.104 1.378 1.00 0.00 N ATOM 0 H ASN A 133 3.256 0.343 -1.094 1.00 0.00 H new ATOM 0 HA ASN A 133 5.852 0.203 0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 133 3.078 0.929 1.339 1.00 0.00 H new ATOM 0 HB3 ASN A 133 4.555 0.935 2.282 1.00 0.00 H new ATOM 0 HD21 ASN A 133 5.706 4.069 1.136 1.00 0.00 H new ATOM 0 HD22 ASN A 133 6.081 2.588 2.022 1.00 0.00 H new ATOM 1990 N VAL A 134 5.350 -2.241 0.786 1.00 0.00 N ATOM 1991 CA VAL A 134 5.023 -3.639 1.012 1.00 0.00 C ATOM 1992 C VAL A 134 5.237 -4.043 2.455 1.00 0.00 C ATOM 1993 O VAL A 134 6.245 -3.705 3.076 1.00 0.00 O ATOM 1994 CB VAL A 134 5.849 -4.575 0.116 1.00 0.00 C ATOM 1995 CG1 VAL A 134 5.161 -5.922 -0.009 1.00 0.00 C ATOM 1996 CG2 VAL A 134 6.077 -3.955 -1.250 1.00 0.00 C ATOM 0 H VAL A 134 6.344 -2.041 0.675 1.00 0.00 H new ATOM 0 HA VAL A 134 3.967 -3.739 0.761 1.00 0.00 H new ATOM 0 HB VAL A 134 6.824 -4.726 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 134 5.756 -6.577 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 134 5.059 -6.372 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 134 4.173 -5.787 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.664 -4.637 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 134 5.116 -3.769 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.615 -3.014 -1.137 1.00 0.00 H new ATOM 2006 N GLU A 135 4.261 -4.772 2.961 1.00 0.00 N ATOM 2007 CA GLU A 135 4.234 -5.220 4.337 1.00 0.00 C ATOM 2008 C GLU A 135 3.816 -6.694 4.381 1.00 0.00 C ATOM 2009 O GLU A 135 2.633 -7.018 4.440 1.00 0.00 O ATOM 2010 CB GLU A 135 3.256 -4.336 5.122 1.00 0.00 C ATOM 2011 CG GLU A 135 3.558 -2.851 4.962 1.00 0.00 C ATOM 2012 CD GLU A 135 2.850 -1.959 5.960 1.00 0.00 C ATOM 2013 OE1 GLU A 135 3.431 -1.698 7.035 1.00 0.00 O ATOM 2014 OE2 GLU A 135 1.741 -1.475 5.663 1.00 0.00 O ATOM 0 H GLU A 135 3.452 -5.074 2.417 1.00 0.00 H new ATOM 0 HA GLU A 135 5.221 -5.136 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.239 -4.536 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.299 -4.601 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.633 -2.699 5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.279 -2.542 3.955 1.00 0.00 H new ATOM 2021 N VAL A 136 4.801 -7.582 4.331 1.00 0.00 N ATOM 2022 CA VAL A 136 4.547 -9.017 4.214 1.00 0.00 C ATOM 2023 C VAL A 136 4.003 -9.624 5.515 1.00 0.00 C ATOM 2024 O VAL A 136 4.667 -9.643 6.549 1.00 0.00 O ATOM 2025 CB VAL A 136 5.816 -9.768 3.754 1.00 0.00 C ATOM 2026 CG1 VAL A 136 7.011 -9.402 4.611 1.00 0.00 C ATOM 2027 CG2 VAL A 136 5.592 -11.273 3.757 1.00 0.00 C ATOM 0 H VAL A 136 5.790 -7.334 4.370 1.00 0.00 H new ATOM 0 HA VAL A 136 3.774 -9.138 3.455 1.00 0.00 H new ATOM 0 HB VAL A 136 6.029 -9.459 2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.889 -9.946 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.196 -8.330 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.809 -9.666 5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.501 -11.777 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.339 -11.601 4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 136 4.775 -11.521 3.079 1.00 0.00 H new ATOM 2037 N VAL A 137 2.762 -10.095 5.434 1.00 0.00 N ATOM 2038 CA VAL A 137 2.066 -10.715 6.553 1.00 0.00 C ATOM 2039 C VAL A 137 2.605 -12.102 6.865 1.00 0.00 C ATOM 2040 O VAL A 137 2.880 -12.420 8.022 1.00 0.00 O ATOM 2041 CB VAL A 137 0.564 -10.840 6.258 1.00 0.00 C ATOM 2042 CG1 VAL A 137 -0.229 -11.075 7.536 1.00 0.00 C ATOM 2043 CG2 VAL A 137 0.075 -9.613 5.519 1.00 0.00 C ATOM 0 H VAL A 137 2.207 -10.056 4.579 1.00 0.00 H new ATOM 0 HA VAL A 137 2.232 -10.068 7.414 1.00 0.00 H new ATOM 0 HB VAL A 137 0.406 -11.708 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -1.289 -11.159 7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.110 -11.996 8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -0.077 -10.238 8.218 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.991 -9.712 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.247 -8.727 6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.617 -9.515 4.578 1.00 0.00 H new ATOM 2053 N ALA A 138 2.761 -12.935 5.838 1.00 0.00 N ATOM 2054 CA ALA A 138 3.103 -14.331 6.043 1.00 0.00 C ATOM 2055 C ALA A 138 3.718 -14.936 4.788 1.00 0.00 C ATOM 2056 O ALA A 138 3.511 -14.436 3.681 1.00 0.00 O ATOM 2057 CB ALA A 138 1.863 -15.114 6.424 1.00 0.00 C ATOM 0 H ALA A 138 2.655 -12.664 4.860 1.00 0.00 H new ATOM 0 HA ALA A 138 3.836 -14.385 6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.126 -16.161 6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 138 1.444 -14.707 7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 138 1.125 -15.038 5.625 1.00 0.00 H new ATOM 2063 N ILE A 139 4.474 -16.014 4.973 1.00 0.00 N ATOM 2064 CA ILE A 139 5.069 -16.766 3.877 1.00 0.00 C ATOM 2065 C ILE A 139 4.970 -18.251 4.211 1.00 0.00 C ATOM 2066 O ILE A 139 5.452 -18.677 5.261 1.00 0.00 O ATOM 2067 CB ILE A 139 6.555 -16.395 3.668 1.00 0.00 C ATOM 2068 CG1 ILE A 139 6.711 -14.892 3.449 1.00 0.00 C ATOM 2069 CG2 ILE A 139 7.134 -17.157 2.484 1.00 0.00 C ATOM 2070 CD1 ILE A 139 8.141 -14.418 3.535 1.00 0.00 C ATOM 0 H ILE A 139 4.692 -16.392 5.895 1.00 0.00 H new ATOM 0 HA ILE A 139 4.533 -16.527 2.958 1.00 0.00 H new ATOM 0 HB ILE A 139 7.103 -16.674 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 139 6.308 -14.631 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 139 6.115 -14.361 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 139 8.181 -16.883 2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 139 7.060 -18.229 2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 139 6.577 -16.906 1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 139 8.178 -13.341 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 139 8.542 -14.648 4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 139 8.738 -14.922 2.775 1.00 0.00 H new ATOM 2082 N ARG A 140 4.351 -19.036 3.343 1.00 0.00 N ATOM 2083 CA ARG A 140 4.061 -20.425 3.667 1.00 0.00 C ATOM 2084 C ARG A 140 4.127 -21.309 2.428 1.00 0.00 C ATOM 2085 O ARG A 140 3.631 -20.946 1.365 1.00 0.00 O ATOM 2086 CB ARG A 140 2.679 -20.512 4.314 1.00 0.00 C ATOM 2087 CG ARG A 140 2.231 -21.926 4.633 1.00 0.00 C ATOM 2088 CD ARG A 140 0.965 -21.922 5.470 1.00 0.00 C ATOM 2089 NE ARG A 140 1.195 -21.350 6.797 1.00 0.00 N ATOM 2090 CZ ARG A 140 0.411 -20.438 7.375 1.00 0.00 C ATOM 2091 NH1 ARG A 140 -0.650 -19.954 6.733 1.00 0.00 N ATOM 2092 NH2 ARG A 140 0.701 -20.002 8.595 1.00 0.00 N ATOM 0 H ARG A 140 4.042 -18.739 2.417 1.00 0.00 H new ATOM 0 HA ARG A 140 4.816 -20.787 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 140 2.683 -19.928 5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 140 1.949 -20.053 3.648 1.00 0.00 H new ATOM 0 HG2 ARG A 140 2.057 -22.473 3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 140 3.023 -22.450 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 140 0.191 -21.351 4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 140 0.593 -22.942 5.573 1.00 0.00 H new ATOM 0 HE ARG A 140 2.012 -21.671 7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -0.869 -20.280 5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -1.244 -19.257 7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 140 1.519 -20.364 9.085 1.00 0.00 H new ATOM 0 HH22 ARG A 140 0.106 -19.305 9.042 1.00 0.00 H new ATOM 2106 N GLU A 141 4.739 -22.474 2.576 1.00 0.00 N ATOM 2107 CA GLU A 141 4.884 -23.410 1.471 1.00 0.00 C ATOM 2108 C GLU A 141 3.558 -24.113 1.194 1.00 0.00 C ATOM 2109 O GLU A 141 2.838 -24.491 2.121 1.00 0.00 O ATOM 2110 CB GLU A 141 6.005 -24.406 1.780 1.00 0.00 C ATOM 2111 CG GLU A 141 5.893 -25.074 3.141 1.00 0.00 C ATOM 2112 CD GLU A 141 7.171 -25.784 3.539 1.00 0.00 C ATOM 2113 OE1 GLU A 141 7.414 -26.903 3.045 1.00 0.00 O ATOM 2114 OE2 GLU A 141 7.943 -25.217 4.340 1.00 0.00 O ATOM 0 H GLU A 141 5.145 -22.795 3.455 1.00 0.00 H new ATOM 0 HA GLU A 141 5.158 -22.867 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.012 -25.177 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.962 -23.887 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.647 -24.324 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.072 -25.790 3.125 1.00 0.00 H new ATOM 2121 N ALA A 142 3.238 -24.274 -0.085 1.00 0.00 N ATOM 2122 CA ALA A 142 1.923 -24.755 -0.497 1.00 0.00 C ATOM 2123 C ALA A 142 1.794 -26.272 -0.391 1.00 0.00 C ATOM 2124 O ALA A 142 2.750 -26.982 -0.078 1.00 0.00 O ATOM 2125 CB ALA A 142 1.619 -24.302 -1.916 1.00 0.00 C ATOM 0 H ALA A 142 3.874 -24.078 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 142 1.195 -24.322 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 142 0.635 -24.667 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 142 1.630 -23.213 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.373 -24.701 -2.595 1.00 0.00 H new ATOM 2131 N THR A 143 0.594 -26.750 -0.691 1.00 0.00 N ATOM 2132 CA THR A 143 0.223 -28.148 -0.484 1.00 0.00 C ATOM 2133 C THR A 143 0.380 -28.978 -1.746 1.00 0.00 C ATOM 2134 O THR A 143 -0.281 -30.005 -1.901 1.00 0.00 O ATOM 2135 CB THR A 143 -1.239 -28.242 -0.033 1.00 0.00 C ATOM 2136 OG1 THR A 143 -2.061 -27.459 -0.911 1.00 0.00 O ATOM 2137 CG2 THR A 143 -1.397 -27.741 1.381 1.00 0.00 C ATOM 0 H THR A 143 -0.154 -26.179 -1.086 1.00 0.00 H new ATOM 0 HA THR A 143 0.894 -28.541 0.280 1.00 0.00 H new ATOM 0 HB THR A 143 -1.546 -29.287 -0.068 1.00 0.00 H new ATOM 0 HG1 THR A 143 -2.201 -26.570 -0.522 1.00 0.00 H new ATOM 0 HG21 THR A 143 -2.443 -27.817 1.679 1.00 0.00 H new ATOM 0 HG22 THR A 143 -0.784 -28.343 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 143 -1.079 -26.700 1.436 1.00 0.00 H new ATOM 2145 N GLU A 144 1.235 -28.509 -2.648 1.00 0.00 N ATOM 2146 CA GLU A 144 1.455 -29.137 -3.951 1.00 0.00 C ATOM 2147 C GLU A 144 0.248 -28.963 -4.864 1.00 0.00 C ATOM 2148 O GLU A 144 0.406 -28.628 -6.034 1.00 0.00 O ATOM 2149 CB GLU A 144 1.806 -30.619 -3.821 1.00 0.00 C ATOM 2150 CG GLU A 144 3.092 -30.866 -3.058 1.00 0.00 C ATOM 2151 CD GLU A 144 3.509 -32.320 -3.076 1.00 0.00 C ATOM 2152 OE1 GLU A 144 4.033 -32.778 -4.115 1.00 0.00 O ATOM 2153 OE2 GLU A 144 3.327 -33.009 -2.050 1.00 0.00 O ATOM 0 H GLU A 144 1.801 -27.674 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 144 2.307 -28.628 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 144 0.989 -31.136 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 144 1.893 -31.053 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 144 3.888 -30.258 -3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 144 2.966 -30.541 -2.025 1.00 0.00 H new ATOM 2160 N GLU A 145 -0.955 -29.155 -4.331 1.00 0.00 N ATOM 2161 CA GLU A 145 -2.161 -28.995 -5.133 1.00 0.00 C ATOM 2162 C GLU A 145 -2.303 -27.542 -5.544 1.00 0.00 C ATOM 2163 O GLU A 145 -2.658 -27.230 -6.678 1.00 0.00 O ATOM 2164 CB GLU A 145 -3.407 -29.431 -4.369 1.00 0.00 C ATOM 2165 CG GLU A 145 -3.401 -30.888 -3.964 1.00 0.00 C ATOM 2166 CD GLU A 145 -4.731 -31.332 -3.387 1.00 0.00 C ATOM 2167 OE1 GLU A 145 -5.665 -31.597 -4.173 1.00 0.00 O ATOM 2168 OE2 GLU A 145 -4.860 -31.416 -2.148 1.00 0.00 O ATOM 0 H GLU A 145 -1.119 -29.418 -3.359 1.00 0.00 H new ATOM 0 HA GLU A 145 -2.067 -29.630 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -3.506 -28.816 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -4.285 -29.240 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -3.161 -31.503 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -2.615 -31.055 -3.228 1.00 0.00 H new ATOM 2175 N GLU A 146 -1.993 -26.660 -4.611 1.00 0.00 N ATOM 2176 CA GLU A 146 -2.017 -25.235 -4.862 1.00 0.00 C ATOM 2177 C GLU A 146 -0.990 -24.866 -5.927 1.00 0.00 C ATOM 2178 O GLU A 146 -1.217 -23.974 -6.739 1.00 0.00 O ATOM 2179 CB GLU A 146 -1.768 -24.490 -3.556 1.00 0.00 C ATOM 2180 CG GLU A 146 -2.869 -24.736 -2.539 1.00 0.00 C ATOM 2181 CD GLU A 146 -2.561 -24.171 -1.173 1.00 0.00 C ATOM 2182 OE1 GLU A 146 -1.886 -24.867 -0.385 1.00 0.00 O ATOM 2183 OE2 GLU A 146 -3.023 -23.052 -0.875 1.00 0.00 O ATOM 0 H GLU A 146 -1.719 -26.913 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 146 -2.996 -24.944 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -0.812 -24.803 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -1.693 -23.421 -3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -3.797 -24.296 -2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -3.038 -25.809 -2.450 1.00 0.00 H new ATOM 2190 N LEU A 147 0.132 -25.579 -5.932 1.00 0.00 N ATOM 2191 CA LEU A 147 1.170 -25.379 -6.934 1.00 0.00 C ATOM 2192 C LEU A 147 0.709 -25.915 -8.279 1.00 0.00 C ATOM 2193 O LEU A 147 0.822 -25.243 -9.304 1.00 0.00 O ATOM 2194 CB LEU A 147 2.450 -26.100 -6.512 1.00 0.00 C ATOM 2195 CG LEU A 147 2.912 -25.791 -5.096 1.00 0.00 C ATOM 2196 CD1 LEU A 147 4.136 -26.616 -4.749 1.00 0.00 C ATOM 2197 CD2 LEU A 147 3.195 -24.307 -4.953 1.00 0.00 C ATOM 0 H LEU A 147 0.345 -26.305 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 147 1.368 -24.311 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.293 -27.175 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 147 3.247 -25.835 -7.207 1.00 0.00 H new ATOM 0 HG LEU A 147 2.119 -26.056 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 147 4.455 -26.384 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 147 3.892 -27.676 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 147 4.942 -26.382 -5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 147 3.525 -24.096 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 147 3.976 -24.016 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 147 2.288 -23.741 -5.165 1.00 0.00 H new ATOM 2209 N ALA A 148 0.173 -27.129 -8.250 1.00 0.00 N ATOM 2210 CA ALA A 148 -0.309 -27.806 -9.444 1.00 0.00 C ATOM 2211 C ALA A 148 -1.424 -27.018 -10.122 1.00 0.00 C ATOM 2212 O ALA A 148 -1.585 -27.075 -11.341 1.00 0.00 O ATOM 2213 CB ALA A 148 -0.797 -29.204 -9.084 1.00 0.00 C ATOM 0 H ALA A 148 0.061 -27.672 -7.394 1.00 0.00 H new ATOM 0 HA ALA A 148 0.520 -27.881 -10.148 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -1.157 -29.706 -9.982 1.00 0.00 H new ATOM 0 HB2 ALA A 148 0.024 -29.776 -8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -1.608 -29.131 -8.360 1.00 0.00 H new ATOM 2219 N HIS A 149 -2.194 -26.286 -9.327 1.00 0.00 N ATOM 2220 CA HIS A 149 -3.318 -25.522 -9.850 1.00 0.00 C ATOM 2221 C HIS A 149 -2.938 -24.056 -10.039 1.00 0.00 C ATOM 2222 O HIS A 149 -3.625 -23.311 -10.731 1.00 0.00 O ATOM 2223 CB HIS A 149 -4.535 -25.667 -8.928 1.00 0.00 C ATOM 2224 CG HIS A 149 -4.939 -27.098 -8.728 1.00 0.00 C ATOM 2225 ND1 HIS A 149 -5.374 -27.603 -7.523 1.00 0.00 N ATOM 2226 CD2 HIS A 149 -4.932 -28.146 -9.587 1.00 0.00 C ATOM 2227 CE1 HIS A 149 -5.611 -28.893 -7.649 1.00 0.00 C ATOM 2228 NE2 HIS A 149 -5.352 -29.250 -8.892 1.00 0.00 N ATOM 0 H HIS A 149 -2.061 -26.206 -8.319 1.00 0.00 H new ATOM 0 HA HIS A 149 -3.584 -25.921 -10.829 1.00 0.00 H new ATOM 0 HB2 HIS A 149 -4.309 -25.218 -7.961 1.00 0.00 H new ATOM 0 HB3 HIS A 149 -5.373 -25.112 -9.349 1.00 0.00 H new ATOM 0 HD2 HIS A 149 -4.648 -28.117 -10.628 1.00 0.00 H new ATOM 0 HE1 HIS A 149 -5.959 -29.549 -6.865 1.00 0.00 H new ATOM 0 HE2 HIS A 149 -5.448 -30.191 -9.273 1.00 0.00 H new ATOM 2237 N GLY A 150 -1.843 -23.649 -9.405 1.00 0.00 N ATOM 2238 CA GLY A 150 -1.258 -22.347 -9.671 1.00 0.00 C ATOM 2239 C GLY A 150 -1.879 -21.212 -8.880 1.00 0.00 C ATOM 2240 O GLY A 150 -1.834 -20.063 -9.318 1.00 0.00 O ATOM 0 H GLY A 150 -1.347 -24.202 -8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -0.192 -22.388 -9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.354 -22.129 -10.735 1.00 0.00 H new ATOM 2244 N HIS A 151 -2.453 -21.517 -7.724 1.00 0.00 N ATOM 2245 CA HIS A 151 -3.020 -20.484 -6.856 1.00 0.00 C ATOM 2246 C HIS A 151 -3.386 -21.066 -5.498 1.00 0.00 C ATOM 2247 O HIS A 151 -3.443 -22.286 -5.339 1.00 0.00 O ATOM 2248 CB HIS A 151 -4.242 -19.801 -7.495 1.00 0.00 C ATOM 2249 CG HIS A 151 -5.427 -20.691 -7.681 1.00 0.00 C ATOM 2250 ND1 HIS A 151 -6.657 -20.431 -7.124 1.00 0.00 N ATOM 2251 CD2 HIS A 151 -5.568 -21.825 -8.390 1.00 0.00 C ATOM 2252 CE1 HIS A 151 -7.506 -21.372 -7.487 1.00 0.00 C ATOM 2253 NE2 HIS A 151 -6.873 -22.235 -8.262 1.00 0.00 N ATOM 0 H HIS A 151 -2.540 -22.467 -7.363 1.00 0.00 H new ATOM 0 HA HIS A 151 -2.254 -19.721 -6.718 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -4.534 -18.954 -6.874 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -3.951 -19.399 -8.465 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -4.796 -22.323 -8.957 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -8.545 -21.428 -7.199 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -7.283 -23.064 -8.692 1.00 0.00 H new