USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 GLN : amide:sc= -0.941 K(o=-5,f=-7.2!) USER MOD Set 1.2: A 34 HIS : no HD1:sc= -4.03! C(o=-5!,f=-6!) USER MOD Set 2.1: A 19 ASN : amide:sc= -3.03! C(o=-7!,f=-26!) USER MOD Set 2.2: A 22 GLN : amide:sc= -3.98 K(o=-7,f=-18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.29) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -7.37! C(o=-7.4!,f=-8.9!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 64:sc= 0.29 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -167:sc= -2.71! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : A 51 HIS : no HE2:sc= -4.91! K(o=-4.9!,f=-2.7) USER MOD Single : A 58 ASN : amide:sc= -12.5! C(o=-13!,f=-11!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -62:sc= 0.824 USER MOD Single : A 69 GLN : amide:sc= -2.57 K(o=-2.6,f=-3.6!) USER MOD Single : A 73 TYR OH : rot -108:sc= -2.9! USER MOD Single : A 74 SER OG : rot 40:sc= 0.748 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.046 -26.481 9.565 1.00 0.00 N ATOM 2 CA MET A 1 27.172 -26.763 10.692 1.00 0.00 C ATOM 3 C MET A 1 26.374 -25.519 11.091 1.00 0.00 C ATOM 4 O MET A 1 26.716 -24.844 12.060 1.00 0.00 O ATOM 5 CB MET A 1 28.009 -27.237 11.881 1.00 0.00 C ATOM 6 CG MET A 1 28.209 -28.754 11.841 1.00 0.00 C ATOM 7 SD MET A 1 29.190 -29.277 13.238 1.00 0.00 S ATOM 8 CE MET A 1 30.388 -30.306 12.407 1.00 0.00 C ATOM 0 H1 MET A 1 28.576 -27.340 9.313 1.00 0.00 H new ATOM 0 H2 MET A 1 27.475 -26.176 8.751 1.00 0.00 H new ATOM 0 H3 MET A 1 28.713 -25.726 9.823 1.00 0.00 H new ATOM 0 HA MET A 1 26.470 -27.543 10.398 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.978 -26.738 11.870 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.517 -26.956 12.812 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.242 -29.257 11.856 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.703 -29.040 10.912 1.00 0.00 H new ATOM 0 HE1 MET A 1 31.084 -30.717 13.138 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.875 -31.121 11.896 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.937 -29.709 11.679 1.00 0.00 H new ATOM 18 N ARG A 2 25.327 -25.255 10.324 1.00 0.00 N ATOM 19 CA ARG A 2 24.478 -24.106 10.586 1.00 0.00 C ATOM 20 C ARG A 2 23.278 -24.106 9.637 1.00 0.00 C ATOM 21 O ARG A 2 23.144 -24.995 8.799 1.00 0.00 O ATOM 22 CB ARG A 2 25.254 -22.799 10.415 1.00 0.00 C ATOM 23 CG ARG A 2 24.701 -21.709 11.335 1.00 0.00 C ATOM 24 CD ARG A 2 25.834 -20.876 11.941 1.00 0.00 C ATOM 25 NE ARG A 2 25.655 -20.771 13.407 1.00 0.00 N ATOM 26 CZ ARG A 2 26.425 -20.018 14.205 1.00 0.00 C ATOM 27 NH1 ARG A 2 27.429 -19.299 13.684 1.00 0.00 N ATOM 28 NH2 ARG A 2 26.191 -19.985 15.524 1.00 0.00 N ATOM 0 H ARG A 2 25.047 -25.818 9.520 1.00 0.00 H new ATOM 0 HA ARG A 2 24.131 -24.178 11.617 1.00 0.00 H new ATOM 0 HB2 ARG A 2 26.308 -22.966 10.636 1.00 0.00 H new ATOM 0 HB3 ARG A 2 25.194 -22.469 9.378 1.00 0.00 H new ATOM 0 HG2 ARG A 2 24.028 -21.061 10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 2 24.113 -22.164 12.132 1.00 0.00 H new ATOM 0 HD2 ARG A 2 26.796 -21.336 11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 2 25.844 -19.881 11.495 1.00 0.00 H new ATOM 0 HE ARG A 2 24.899 -21.305 13.836 1.00 0.00 H new ATOM 0 HH11 ARG A 2 27.607 -19.325 12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 2 28.015 -18.726 14.291 1.00 0.00 H new ATOM 0 HH21 ARG A 2 25.427 -20.533 15.920 1.00 0.00 H new ATOM 0 HH22 ARG A 2 26.777 -19.412 16.132 1.00 0.00 H new ATOM 42 N SER A 3 22.435 -23.097 9.803 1.00 0.00 N ATOM 43 CA SER A 3 21.249 -22.969 8.972 1.00 0.00 C ATOM 44 C SER A 3 20.874 -21.494 8.819 1.00 0.00 C ATOM 45 O SER A 3 21.568 -20.617 9.330 1.00 0.00 O ATOM 46 CB SER A 3 20.076 -23.757 9.560 1.00 0.00 C ATOM 47 OG SER A 3 19.438 -23.050 10.621 1.00 0.00 O ATOM 0 H SER A 3 22.549 -22.361 10.500 1.00 0.00 H new ATOM 0 HA SER A 3 21.474 -23.384 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.349 -23.966 8.775 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.433 -24.719 9.928 1.00 0.00 H new ATOM 0 HG SER A 3 18.694 -23.584 10.969 1.00 0.00 H new ATOM 53 N LEU A 4 19.777 -21.266 8.111 1.00 0.00 N ATOM 54 CA LEU A 4 19.301 -19.912 7.885 1.00 0.00 C ATOM 55 C LEU A 4 17.775 -19.888 7.987 1.00 0.00 C ATOM 56 O LEU A 4 17.115 -20.894 7.728 1.00 0.00 O ATOM 57 CB LEU A 4 19.836 -19.372 6.557 1.00 0.00 C ATOM 58 CG LEU A 4 21.359 -19.336 6.412 1.00 0.00 C ATOM 59 CD1 LEU A 4 21.812 -20.130 5.185 1.00 0.00 C ATOM 60 CD2 LEU A 4 21.874 -17.896 6.384 1.00 0.00 C ATOM 0 H LEU A 4 19.205 -21.996 7.687 1.00 0.00 H new ATOM 0 HA LEU A 4 19.683 -19.241 8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 4 19.428 -19.980 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 4 19.454 -18.361 6.418 1.00 0.00 H new ATOM 0 HG LEU A 4 21.796 -19.817 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 4 22.898 -20.088 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 4 21.495 -21.168 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 4 21.366 -19.700 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 4 22.959 -17.900 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 4 21.431 -17.367 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 4 21.600 -17.393 7.312 1.00 0.00 H new ATOM 72 N GLU A 5 17.257 -18.728 8.366 1.00 0.00 N ATOM 73 CA GLU A 5 15.821 -18.561 8.507 1.00 0.00 C ATOM 74 C GLU A 5 15.309 -17.516 7.513 1.00 0.00 C ATOM 75 O GLU A 5 16.043 -16.607 7.129 1.00 0.00 O ATOM 76 CB GLU A 5 15.452 -18.179 9.942 1.00 0.00 C ATOM 77 CG GLU A 5 13.996 -18.541 10.248 1.00 0.00 C ATOM 78 CD GLU A 5 13.916 -19.630 11.319 1.00 0.00 C ATOM 79 OE1 GLU A 5 14.372 -20.755 11.019 1.00 0.00 O ATOM 80 OE2 GLU A 5 13.401 -19.314 12.413 1.00 0.00 O ATOM 0 H GLU A 5 17.806 -17.896 8.579 1.00 0.00 H new ATOM 0 HA GLU A 5 15.340 -19.513 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.113 -18.693 10.640 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.603 -17.109 10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.460 -17.654 10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.504 -18.884 9.338 1.00 0.00 H new ATOM 87 N THR A 6 14.053 -17.682 7.125 1.00 0.00 N ATOM 88 CA THR A 6 13.434 -16.765 6.183 1.00 0.00 C ATOM 89 C THR A 6 12.628 -15.698 6.927 1.00 0.00 C ATOM 90 O THR A 6 12.358 -15.839 8.119 1.00 0.00 O ATOM 91 CB THR A 6 12.594 -17.588 5.204 1.00 0.00 C ATOM 92 OG1 THR A 6 13.450 -18.664 4.830 1.00 0.00 O ATOM 93 CG2 THR A 6 12.330 -16.847 3.892 1.00 0.00 C ATOM 0 H THR A 6 13.447 -18.438 7.446 1.00 0.00 H new ATOM 0 HA THR A 6 14.185 -16.220 5.611 1.00 0.00 H new ATOM 0 HB THR A 6 11.644 -17.848 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.983 -19.249 4.197 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.730 -17.475 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.793 -15.921 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.279 -16.616 3.408 1.00 0.00 H new ATOM 101 N PHE A 7 12.268 -14.656 6.194 1.00 0.00 N ATOM 102 CA PHE A 7 11.499 -13.565 6.770 1.00 0.00 C ATOM 103 C PHE A 7 11.126 -12.534 5.703 1.00 0.00 C ATOM 104 O PHE A 7 11.818 -12.400 4.695 1.00 0.00 O ATOM 105 CB PHE A 7 12.389 -12.897 7.819 1.00 0.00 C ATOM 106 CG PHE A 7 13.880 -12.918 7.477 1.00 0.00 C ATOM 107 CD1 PHE A 7 14.340 -12.235 6.394 1.00 0.00 C ATOM 108 CD2 PHE A 7 14.746 -13.620 8.255 1.00 0.00 C ATOM 109 CE1 PHE A 7 15.723 -12.256 6.076 1.00 0.00 C ATOM 110 CE2 PHE A 7 16.130 -13.641 7.937 1.00 0.00 C ATOM 111 CZ PHE A 7 16.589 -12.959 6.854 1.00 0.00 C ATOM 0 H PHE A 7 12.494 -14.543 5.206 1.00 0.00 H new ATOM 0 HA PHE A 7 10.576 -13.949 7.204 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.070 -11.862 7.945 1.00 0.00 H new ATOM 0 HB3 PHE A 7 12.240 -13.395 8.777 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.652 -11.677 5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.381 -14.162 9.115 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.088 -11.714 5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 7 16.818 -14.199 8.555 1.00 0.00 H new ATOM 0 HZ PHE A 7 17.641 -12.976 6.612 1.00 0.00 H new ATOM 121 N VAL A 8 10.033 -11.832 5.961 1.00 0.00 N ATOM 122 CA VAL A 8 9.559 -10.817 5.036 1.00 0.00 C ATOM 123 C VAL A 8 9.251 -9.533 5.808 1.00 0.00 C ATOM 124 O VAL A 8 9.278 -9.522 7.038 1.00 0.00 O ATOM 125 CB VAL A 8 8.357 -11.345 4.249 1.00 0.00 C ATOM 126 CG1 VAL A 8 8.204 -10.605 2.920 1.00 0.00 C ATOM 127 CG2 VAL A 8 8.469 -12.854 4.027 1.00 0.00 C ATOM 0 H VAL A 8 9.461 -11.946 6.798 1.00 0.00 H new ATOM 0 HA VAL A 8 10.330 -10.579 4.303 1.00 0.00 H new ATOM 0 HB VAL A 8 7.461 -11.159 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.343 -11.000 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.057 -9.542 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.103 -10.745 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.603 -13.204 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.378 -13.073 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.506 -13.362 4.991 1.00 0.00 H new ATOM 137 N GLY A 9 8.963 -8.481 5.055 1.00 0.00 N ATOM 138 CA GLY A 9 8.650 -7.194 5.653 1.00 0.00 C ATOM 139 C GLY A 9 7.655 -6.416 4.791 1.00 0.00 C ATOM 140 O GLY A 9 8.049 -5.705 3.868 1.00 0.00 O ATOM 0 H GLY A 9 8.940 -8.494 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.234 -7.344 6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.564 -6.613 5.773 1.00 0.00 H new ATOM 144 N ASP A 10 6.381 -6.578 5.121 1.00 0.00 N ATOM 145 CA ASP A 10 5.326 -5.900 4.387 1.00 0.00 C ATOM 146 C ASP A 10 5.011 -4.568 5.071 1.00 0.00 C ATOM 147 O ASP A 10 5.322 -4.381 6.247 1.00 0.00 O ATOM 148 CB ASP A 10 4.045 -6.735 4.367 1.00 0.00 C ATOM 149 CG ASP A 10 3.842 -7.639 5.584 1.00 0.00 C ATOM 150 OD1 ASP A 10 3.799 -7.083 6.703 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.735 -8.865 5.370 1.00 0.00 O ATOM 0 H ASP A 10 6.056 -7.169 5.887 1.00 0.00 H new ATOM 0 HA ASP A 10 5.672 -5.745 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.192 -6.061 4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.047 -7.354 3.470 1.00 0.00 H new ATOM 156 N GLN A 11 4.397 -3.677 4.307 1.00 0.00 N ATOM 157 CA GLN A 11 4.037 -2.368 4.824 1.00 0.00 C ATOM 158 C GLN A 11 2.759 -1.864 4.149 1.00 0.00 C ATOM 159 O GLN A 11 2.682 -1.805 2.923 1.00 0.00 O ATOM 160 CB GLN A 11 5.182 -1.371 4.642 1.00 0.00 C ATOM 161 CG GLN A 11 4.766 0.031 5.091 1.00 0.00 C ATOM 162 CD GLN A 11 5.100 1.071 4.020 1.00 0.00 C ATOM 163 OE1 GLN A 11 4.236 1.598 3.338 1.00 0.00 O ATOM 164 NE2 GLN A 11 6.398 1.336 3.909 1.00 0.00 N ATOM 0 H GLN A 11 4.139 -3.836 3.333 1.00 0.00 H new ATOM 0 HA GLN A 11 3.848 -2.462 5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.049 -1.698 5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.484 -1.346 3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.696 0.048 5.298 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.275 0.285 6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.069 0.859 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.723 2.016 3.222 1.00 0.00 H new ATOM 173 N VAL A 12 1.788 -1.514 4.979 1.00 0.00 N ATOM 174 CA VAL A 12 0.518 -1.016 4.478 1.00 0.00 C ATOM 175 C VAL A 12 0.598 0.502 4.314 1.00 0.00 C ATOM 176 O VAL A 12 1.599 1.118 4.679 1.00 0.00 O ATOM 177 CB VAL A 12 -0.619 -1.458 5.403 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.970 -1.368 4.692 1.00 0.00 C ATOM 179 CG2 VAL A 12 -0.373 -2.871 5.937 1.00 0.00 C ATOM 0 H VAL A 12 1.855 -1.565 5.996 1.00 0.00 H new ATOM 0 HA VAL A 12 0.304 -1.438 3.496 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.643 -0.778 6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.761 -1.688 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.151 -0.338 4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.963 -2.014 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.195 -3.161 6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.310 -3.569 5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.561 -2.890 6.498 1.00 0.00 H new ATOM 189 N LEU A 13 -0.469 1.064 3.765 1.00 0.00 N ATOM 190 CA LEU A 13 -0.531 2.499 3.547 1.00 0.00 C ATOM 191 C LEU A 13 -1.995 2.927 3.414 1.00 0.00 C ATOM 192 O LEU A 13 -2.822 2.173 2.905 1.00 0.00 O ATOM 193 CB LEU A 13 0.338 2.899 2.353 1.00 0.00 C ATOM 194 CG LEU A 13 -0.294 2.710 0.971 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.593 4.059 0.317 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.584 1.823 0.085 1.00 0.00 C ATOM 0 H LEU A 13 -1.298 0.551 3.465 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.118 3.032 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.614 3.948 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.261 2.321 2.391 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.247 2.196 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.041 3.897 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.285 4.622 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.334 4.622 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.113 1.704 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.563 2.287 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.702 0.845 0.552 1.00 0.00 H new ATOM 208 N GLU A 14 -2.268 4.137 3.881 1.00 0.00 N ATOM 209 CA GLU A 14 -3.616 4.674 3.820 1.00 0.00 C ATOM 210 C GLU A 14 -3.765 5.601 2.612 1.00 0.00 C ATOM 211 O GLU A 14 -3.035 6.583 2.486 1.00 0.00 O ATOM 212 CB GLU A 14 -3.975 5.402 5.117 1.00 0.00 C ATOM 213 CG GLU A 14 -2.770 6.169 5.667 1.00 0.00 C ATOM 214 CD GLU A 14 -3.219 7.366 6.507 1.00 0.00 C ATOM 215 OE1 GLU A 14 -4.417 7.710 6.411 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.354 7.911 7.227 1.00 0.00 O ATOM 0 H GLU A 14 -1.579 4.760 4.303 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.312 3.843 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.798 6.093 4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.322 4.682 5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.157 5.503 6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.146 6.513 4.842 1.00 0.00 H new ATOM 223 N ILE A 15 -4.715 5.257 1.756 1.00 0.00 N ATOM 224 CA ILE A 15 -4.969 6.046 0.562 1.00 0.00 C ATOM 225 C ILE A 15 -6.322 6.746 0.696 1.00 0.00 C ATOM 226 O ILE A 15 -7.244 6.210 1.311 1.00 0.00 O ATOM 227 CB ILE A 15 -4.846 5.177 -0.691 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.464 4.528 -0.777 1.00 0.00 C ATOM 229 CG2 ILE A 15 -5.182 5.979 -1.950 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.558 3.106 -1.333 1.00 0.00 C ATOM 0 H ILE A 15 -5.319 4.442 1.865 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.216 6.827 0.454 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.575 4.370 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.815 5.129 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.007 4.506 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.087 5.338 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.204 6.351 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.495 6.820 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.561 2.668 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.187 2.501 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.993 3.134 -2.332 1.00 0.00 H new ATOM 242 N VAL A 16 -6.401 7.932 0.110 1.00 0.00 N ATOM 243 CA VAL A 16 -7.627 8.709 0.157 1.00 0.00 C ATOM 244 C VAL A 16 -7.963 9.209 -1.250 1.00 0.00 C ATOM 245 O VAL A 16 -7.521 10.284 -1.652 1.00 0.00 O ATOM 246 CB VAL A 16 -7.489 9.842 1.177 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.810 10.598 1.337 1.00 0.00 C ATOM 248 CG2 VAL A 16 -6.996 9.310 2.524 1.00 0.00 C ATOM 0 H VAL A 16 -5.636 8.373 -0.400 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.460 8.089 0.489 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.744 10.543 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.685 11.398 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.104 11.025 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.583 9.911 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.907 10.135 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.707 8.579 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.023 8.837 2.394 1.00 0.00 H new ATOM 258 N PRO A 17 -8.761 8.383 -1.978 1.00 0.00 N ATOM 259 CA PRO A 17 -9.161 8.730 -3.331 1.00 0.00 C ATOM 260 C PRO A 17 -10.235 9.819 -3.323 1.00 0.00 C ATOM 261 O PRO A 17 -10.722 10.209 -2.262 1.00 0.00 O ATOM 262 CB PRO A 17 -9.641 7.425 -3.946 1.00 0.00 C ATOM 263 CG PRO A 17 -9.930 6.496 -2.778 1.00 0.00 C ATOM 264 CD PRO A 17 -9.302 7.102 -1.534 1.00 0.00 C ATOM 0 HA PRO A 17 -8.345 9.153 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.535 7.583 -4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.883 7.001 -4.604 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.005 6.376 -2.643 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.520 5.504 -2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.040 7.237 -0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.519 6.459 -1.133 1.00 0.00 H new ATOM 272 N SER A 18 -10.575 10.278 -4.518 1.00 0.00 N ATOM 273 CA SER A 18 -11.583 11.315 -4.662 1.00 0.00 C ATOM 274 C SER A 18 -12.479 11.009 -5.864 1.00 0.00 C ATOM 275 O SER A 18 -13.703 11.103 -5.771 1.00 0.00 O ATOM 276 CB SER A 18 -10.939 12.693 -4.818 1.00 0.00 C ATOM 277 OG SER A 18 -10.737 13.333 -3.561 1.00 0.00 O ATOM 0 H SER A 18 -10.171 9.951 -5.396 1.00 0.00 H new ATOM 0 HA SER A 18 -12.190 11.329 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.982 12.590 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.572 13.320 -5.447 1.00 0.00 H new ATOM 0 HG SER A 18 -10.322 14.209 -3.703 1.00 0.00 H new ATOM 283 N ASN A 19 -11.837 10.651 -6.966 1.00 0.00 N ATOM 284 CA ASN A 19 -12.560 10.331 -8.184 1.00 0.00 C ATOM 285 C ASN A 19 -12.487 8.823 -8.435 1.00 0.00 C ATOM 286 O ASN A 19 -12.176 8.054 -7.527 1.00 0.00 O ATOM 287 CB ASN A 19 -11.945 11.040 -9.392 1.00 0.00 C ATOM 288 CG ASN A 19 -11.303 12.367 -8.981 1.00 0.00 C ATOM 289 OD1 ASN A 19 -10.487 12.437 -8.076 1.00 0.00 O ATOM 290 ND2 ASN A 19 -11.716 13.412 -9.692 1.00 0.00 N ATOM 0 H ASN A 19 -10.823 10.576 -7.040 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.592 10.659 -8.059 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.195 10.397 -9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.715 11.221 -10.142 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.347 14.342 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.402 13.284 -10.436 1.00 0.00 H new ATOM 297 N GLU A 20 -12.781 8.446 -9.670 1.00 0.00 N ATOM 298 CA GLU A 20 -12.754 7.045 -10.051 1.00 0.00 C ATOM 299 C GLU A 20 -11.451 6.719 -10.785 1.00 0.00 C ATOM 300 O GLU A 20 -11.041 5.561 -10.846 1.00 0.00 O ATOM 301 CB GLU A 20 -13.969 6.685 -10.908 1.00 0.00 C ATOM 302 CG GLU A 20 -15.254 6.712 -10.076 1.00 0.00 C ATOM 303 CD GLU A 20 -15.725 8.148 -9.842 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.272 8.730 -10.803 1.00 0.00 O ATOM 305 OE2 GLU A 20 -15.528 8.632 -8.706 1.00 0.00 O ATOM 0 H GLU A 20 -13.039 9.087 -10.420 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.799 6.442 -9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.054 7.387 -11.738 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.832 5.694 -11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.034 6.148 -10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.082 6.221 -9.118 1.00 0.00 H new ATOM 312 N GLU A 21 -10.836 7.762 -11.322 1.00 0.00 N ATOM 313 CA GLU A 21 -9.587 7.603 -12.049 1.00 0.00 C ATOM 314 C GLU A 21 -8.501 7.053 -11.123 1.00 0.00 C ATOM 315 O GLU A 21 -7.912 6.009 -11.402 1.00 0.00 O ATOM 316 CB GLU A 21 -9.150 8.924 -12.685 1.00 0.00 C ATOM 317 CG GLU A 21 -7.656 8.905 -13.014 1.00 0.00 C ATOM 318 CD GLU A 21 -6.856 9.702 -11.982 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.421 10.694 -11.470 1.00 0.00 O ATOM 320 OE2 GLU A 21 -5.700 9.302 -11.726 1.00 0.00 O ATOM 0 H GLU A 21 -11.179 8.721 -11.269 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.747 6.887 -12.855 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.724 9.102 -13.594 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.366 9.748 -12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.299 7.875 -13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.494 9.324 -14.007 1.00 0.00 H new ATOM 327 N GLN A 22 -8.267 7.781 -10.041 1.00 0.00 N ATOM 328 CA GLN A 22 -7.262 7.379 -9.072 1.00 0.00 C ATOM 329 C GLN A 22 -7.589 5.994 -8.510 1.00 0.00 C ATOM 330 O GLN A 22 -6.692 5.188 -8.270 1.00 0.00 O ATOM 331 CB GLN A 22 -7.139 8.410 -7.950 1.00 0.00 C ATOM 332 CG GLN A 22 -7.009 9.825 -8.517 1.00 0.00 C ATOM 333 CD GLN A 22 -8.306 10.614 -8.328 1.00 0.00 C ATOM 334 OE1 GLN A 22 -9.113 10.757 -9.232 1.00 0.00 O ATOM 335 NE2 GLN A 22 -8.462 11.116 -7.107 1.00 0.00 N ATOM 0 H GLN A 22 -8.756 8.647 -9.814 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.299 7.325 -9.579 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.013 8.353 -7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.270 8.180 -7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.188 10.344 -8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.762 9.774 -9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.748 10.959 -6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.296 11.658 -6.881 1.00 0.00 H new ATOM 344 N ILE A 23 -8.879 5.759 -8.316 1.00 0.00 N ATOM 345 CA ILE A 23 -9.336 4.486 -7.787 1.00 0.00 C ATOM 346 C ILE A 23 -9.151 3.401 -8.849 1.00 0.00 C ATOM 347 O ILE A 23 -8.713 2.293 -8.540 1.00 0.00 O ATOM 348 CB ILE A 23 -10.772 4.604 -7.273 1.00 0.00 C ATOM 349 CG1 ILE A 23 -10.810 5.290 -5.906 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.461 3.238 -7.248 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.240 5.689 -5.532 1.00 0.00 C ATOM 0 H ILE A 23 -9.622 6.429 -8.516 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.736 4.195 -6.925 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.331 5.233 -7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.405 4.620 -5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.174 6.175 -5.921 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.480 3.351 -6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.484 2.824 -8.256 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.910 2.565 -6.592 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.239 6.174 -4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.633 6.378 -6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.868 4.799 -5.494 1.00 0.00 H new ATOM 363 N LYS A 24 -9.494 3.756 -10.079 1.00 0.00 N ATOM 364 CA LYS A 24 -9.371 2.826 -11.188 1.00 0.00 C ATOM 365 C LYS A 24 -7.893 2.497 -11.411 1.00 0.00 C ATOM 366 O LYS A 24 -7.565 1.507 -12.063 1.00 0.00 O ATOM 367 CB LYS A 24 -10.071 3.379 -12.431 1.00 0.00 C ATOM 368 CG LYS A 24 -9.454 2.807 -13.708 1.00 0.00 C ATOM 369 CD LYS A 24 -10.136 3.382 -14.953 1.00 0.00 C ATOM 370 CE LYS A 24 -10.749 2.270 -15.805 1.00 0.00 C ATOM 371 NZ LYS A 24 -10.715 2.637 -17.239 1.00 0.00 N ATOM 0 H LYS A 24 -9.857 4.675 -10.331 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.876 1.888 -10.956 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.132 3.134 -12.394 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.995 4.466 -12.442 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.388 3.035 -13.735 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.548 1.721 -13.707 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.913 4.086 -14.654 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.410 3.940 -15.545 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.202 1.340 -15.648 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.778 2.091 -15.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.135 1.871 -17.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.257 3.513 -17.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.729 2.785 -17.536 1.00 0.00 H new ATOM 385 N ASN A 25 -7.041 3.346 -10.856 1.00 0.00 N ATOM 386 CA ASN A 25 -5.606 3.159 -10.985 1.00 0.00 C ATOM 387 C ASN A 25 -5.157 2.032 -10.052 1.00 0.00 C ATOM 388 O ASN A 25 -4.541 1.063 -10.494 1.00 0.00 O ATOM 389 CB ASN A 25 -4.846 4.428 -10.594 1.00 0.00 C ATOM 390 CG ASN A 25 -3.536 4.546 -11.375 1.00 0.00 C ATOM 391 OD1 ASN A 25 -2.457 4.282 -10.872 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.690 4.958 -12.631 1.00 0.00 N ATOM 0 H ASN A 25 -7.317 4.166 -10.316 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.390 2.917 -12.026 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.468 5.302 -10.786 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.636 4.415 -9.525 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.875 5.070 -13.235 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.623 5.162 -12.990 1.00 0.00 H new ATOM 399 N LEU A 26 -5.481 2.197 -8.778 1.00 0.00 N ATOM 400 CA LEU A 26 -5.120 1.206 -7.779 1.00 0.00 C ATOM 401 C LEU A 26 -5.607 -0.170 -8.233 1.00 0.00 C ATOM 402 O LEU A 26 -4.808 -1.089 -8.408 1.00 0.00 O ATOM 403 CB LEU A 26 -5.642 1.620 -6.402 1.00 0.00 C ATOM 404 CG LEU A 26 -4.797 1.177 -5.205 1.00 0.00 C ATOM 405 CD1 LEU A 26 -3.523 2.016 -5.092 1.00 0.00 C ATOM 406 CD2 LEU A 26 -5.618 1.206 -3.914 1.00 0.00 C ATOM 0 H LEU A 26 -5.990 3.003 -8.415 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.036 1.143 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.728 2.706 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.648 1.218 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.489 0.144 -5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.941 1.680 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.930 1.901 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.789 3.065 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.994 0.887 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.976 2.220 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.469 0.532 -4.009 1.00 0.00 H new ATOM 418 N LEU A 27 -6.916 -0.271 -8.411 1.00 0.00 N ATOM 419 CA LEU A 27 -7.520 -1.521 -8.842 1.00 0.00 C ATOM 420 C LEU A 27 -6.667 -2.138 -9.952 1.00 0.00 C ATOM 421 O LEU A 27 -6.300 -3.310 -9.879 1.00 0.00 O ATOM 422 CB LEU A 27 -8.982 -1.302 -9.238 1.00 0.00 C ATOM 423 CG LEU A 27 -10.012 -1.469 -8.119 1.00 0.00 C ATOM 424 CD1 LEU A 27 -10.948 -0.260 -8.051 1.00 0.00 C ATOM 425 CD2 LEU A 27 -10.782 -2.782 -8.274 1.00 0.00 C ATOM 0 H LEU A 27 -7.576 0.493 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.541 -2.237 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.080 -0.297 -9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.229 -1.999 -10.039 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.480 -1.518 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.670 -0.404 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.365 0.641 -7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.476 -0.155 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.508 -2.876 -7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.303 -2.788 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.085 -3.619 -8.235 1.00 0.00 H new ATOM 437 N GLN A 28 -6.378 -1.322 -10.955 1.00 0.00 N ATOM 438 CA GLN A 28 -5.575 -1.772 -12.079 1.00 0.00 C ATOM 439 C GLN A 28 -4.233 -2.319 -11.588 1.00 0.00 C ATOM 440 O GLN A 28 -3.724 -3.301 -12.127 1.00 0.00 O ATOM 441 CB GLN A 28 -5.370 -0.646 -13.093 1.00 0.00 C ATOM 442 CG GLN A 28 -5.268 -1.200 -14.516 1.00 0.00 C ATOM 443 CD GLN A 28 -3.923 -0.839 -15.150 1.00 0.00 C ATOM 444 OE1 GLN A 28 -3.077 -1.682 -15.397 1.00 0.00 O ATOM 445 NE2 GLN A 28 -3.773 0.460 -15.397 1.00 0.00 N ATOM 0 H GLN A 28 -6.686 -0.351 -11.013 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.111 -2.577 -12.583 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.200 0.058 -13.032 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.463 -0.093 -12.849 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.386 -2.283 -14.498 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.080 -0.801 -15.124 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.522 1.113 -15.165 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.909 0.803 -15.818 1.00 0.00 H new ATOM 454 N LEU A 29 -3.699 -1.660 -10.571 1.00 0.00 N ATOM 455 CA LEU A 29 -2.426 -2.068 -10.002 1.00 0.00 C ATOM 456 C LEU A 29 -2.591 -3.423 -9.313 1.00 0.00 C ATOM 457 O LEU A 29 -1.983 -4.411 -9.722 1.00 0.00 O ATOM 458 CB LEU A 29 -1.874 -0.975 -9.084 1.00 0.00 C ATOM 459 CG LEU A 29 -0.796 -1.413 -8.091 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.549 -1.609 -8.795 1.00 0.00 C ATOM 461 CD2 LEU A 29 -0.693 -0.430 -6.923 1.00 0.00 C ATOM 0 H LEU A 29 -4.124 -0.847 -10.126 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.682 -2.198 -10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.465 -0.179 -9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.704 -0.546 -8.523 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.087 -2.377 -7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.299 -1.920 -8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.449 -2.375 -9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.858 -0.671 -9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.081 -0.765 -6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.437 0.560 -7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.649 -0.383 -6.402 1.00 0.00 H new ATOM 473 N GLU A 30 -3.417 -3.427 -8.276 1.00 0.00 N ATOM 474 CA GLU A 30 -3.670 -4.646 -7.526 1.00 0.00 C ATOM 475 C GLU A 30 -4.134 -5.762 -8.466 1.00 0.00 C ATOM 476 O GLU A 30 -3.681 -6.900 -8.355 1.00 0.00 O ATOM 477 CB GLU A 30 -4.695 -4.404 -6.416 1.00 0.00 C ATOM 478 CG GLU A 30 -4.468 -5.359 -5.242 1.00 0.00 C ATOM 479 CD GLU A 30 -5.766 -6.070 -4.856 1.00 0.00 C ATOM 480 OE1 GLU A 30 -6.323 -6.757 -5.740 1.00 0.00 O ATOM 481 OE2 GLU A 30 -6.174 -5.911 -3.685 1.00 0.00 O ATOM 0 H GLU A 30 -3.919 -2.606 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.738 -4.959 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.624 -3.373 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.702 -4.540 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.711 -6.096 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.084 -4.804 -4.386 1.00 0.00 H new ATOM 488 N ALA A 31 -5.030 -5.395 -9.371 1.00 0.00 N ATOM 489 CA ALA A 31 -5.559 -6.350 -10.329 1.00 0.00 C ATOM 490 C ALA A 31 -4.404 -7.145 -10.941 1.00 0.00 C ATOM 491 O ALA A 31 -4.516 -8.353 -11.146 1.00 0.00 O ATOM 492 CB ALA A 31 -6.383 -5.612 -11.385 1.00 0.00 C ATOM 0 H ALA A 31 -5.403 -4.450 -9.461 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.223 -7.060 -9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.780 -6.329 -12.104 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.208 -5.088 -10.902 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.750 -4.892 -11.903 1.00 0.00 H new ATOM 498 N GLN A 32 -3.321 -6.435 -11.218 1.00 0.00 N ATOM 499 CA GLN A 32 -2.146 -7.058 -11.804 1.00 0.00 C ATOM 500 C GLN A 32 -1.503 -8.021 -10.805 1.00 0.00 C ATOM 501 O GLN A 32 -0.406 -7.767 -10.311 1.00 0.00 O ATOM 502 CB GLN A 32 -1.142 -6.003 -12.274 1.00 0.00 C ATOM 503 CG GLN A 32 -1.619 -5.325 -13.560 1.00 0.00 C ATOM 504 CD GLN A 32 -1.655 -6.319 -14.722 1.00 0.00 C ATOM 505 OE1 GLN A 32 -1.306 -7.481 -14.591 1.00 0.00 O ATOM 506 NE2 GLN A 32 -2.094 -5.799 -15.865 1.00 0.00 N ATOM 0 H GLN A 32 -3.232 -5.433 -11.047 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.459 -7.628 -12.679 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.004 -5.254 -11.494 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.172 -6.470 -12.443 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.612 -4.903 -13.406 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.955 -4.496 -13.806 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.371 -4.818 -15.906 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.154 -6.381 -16.700 1.00 0.00 H new ATOM 515 N GLU A 33 -2.212 -9.108 -10.537 1.00 0.00 N ATOM 516 CA GLU A 33 -1.725 -10.110 -9.606 1.00 0.00 C ATOM 517 C GLU A 33 -0.282 -10.492 -9.945 1.00 0.00 C ATOM 518 O GLU A 33 -0.047 -11.381 -10.762 1.00 0.00 O ATOM 519 CB GLU A 33 -2.631 -11.342 -9.603 1.00 0.00 C ATOM 520 CG GLU A 33 -2.528 -12.104 -10.925 1.00 0.00 C ATOM 521 CD GLU A 33 -3.828 -12.851 -11.231 1.00 0.00 C ATOM 522 OE1 GLU A 33 -4.885 -12.357 -10.783 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.734 -13.899 -11.905 1.00 0.00 O ATOM 0 H GLU A 33 -3.121 -9.316 -10.950 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.742 -9.684 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.354 -11.999 -8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.664 -11.037 -9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.306 -11.408 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.700 -12.812 -10.877 1.00 0.00 H new ATOM 530 N HIS A 34 0.646 -9.800 -9.302 1.00 0.00 N ATOM 531 CA HIS A 34 2.059 -10.055 -9.524 1.00 0.00 C ATOM 532 C HIS A 34 2.873 -9.499 -8.354 1.00 0.00 C ATOM 533 O HIS A 34 3.782 -10.161 -7.856 1.00 0.00 O ATOM 534 CB HIS A 34 2.506 -9.495 -10.876 1.00 0.00 C ATOM 535 CG HIS A 34 1.812 -10.123 -12.061 1.00 0.00 C ATOM 536 ND1 HIS A 34 1.887 -11.476 -12.343 1.00 0.00 N ATOM 537 CD2 HIS A 34 1.030 -9.570 -13.032 1.00 0.00 C ATOM 538 CE1 HIS A 34 1.179 -11.715 -13.437 1.00 0.00 C ATOM 539 NE2 HIS A 34 0.650 -10.533 -13.863 1.00 0.00 N ATOM 0 H HIS A 34 0.447 -9.062 -8.626 1.00 0.00 H new ATOM 0 HA HIS A 34 2.235 -11.130 -9.564 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.325 -8.420 -10.890 1.00 0.00 H new ATOM 0 HB3 HIS A 34 3.581 -9.639 -10.980 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.765 -8.526 -13.111 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.045 -12.677 -13.909 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.059 -10.409 -14.685 1.00 0.00 H new ATOM 548 N LEU A 35 2.513 -8.290 -7.948 1.00 0.00 N ATOM 549 CA LEU A 35 3.199 -7.638 -6.845 1.00 0.00 C ATOM 550 C LEU A 35 2.872 -8.370 -5.542 1.00 0.00 C ATOM 551 O LEU A 35 3.581 -9.297 -5.151 1.00 0.00 O ATOM 552 CB LEU A 35 2.863 -6.145 -6.813 1.00 0.00 C ATOM 553 CG LEU A 35 3.311 -5.330 -8.027 1.00 0.00 C ATOM 554 CD1 LEU A 35 2.741 -3.911 -7.976 1.00 0.00 C ATOM 555 CD2 LEU A 35 4.836 -5.331 -8.155 1.00 0.00 C ATOM 0 H LEU A 35 1.756 -7.746 -8.362 1.00 0.00 H new ATOM 0 HA LEU A 35 4.279 -7.696 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.783 -6.038 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.315 -5.710 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 35 2.912 -5.805 -8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.075 -3.353 -8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.652 -3.956 -7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.089 -3.411 -7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.128 -4.745 -9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.277 -4.894 -7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.191 -6.355 -8.271 1.00 0.00 H new ATOM 567 N GLN A 36 1.797 -7.928 -4.905 1.00 0.00 N ATOM 568 CA GLN A 36 1.367 -8.529 -3.655 1.00 0.00 C ATOM 569 C GLN A 36 0.508 -7.544 -2.859 1.00 0.00 C ATOM 570 O GLN A 36 0.715 -7.362 -1.661 1.00 0.00 O ATOM 571 CB GLN A 36 2.568 -8.999 -2.831 1.00 0.00 C ATOM 572 CG GLN A 36 2.864 -10.479 -3.086 1.00 0.00 C ATOM 573 CD GLN A 36 2.649 -11.307 -1.818 1.00 0.00 C ATOM 574 OE1 GLN A 36 3.581 -11.687 -1.128 1.00 0.00 O ATOM 575 NE2 GLN A 36 1.372 -11.566 -1.550 1.00 0.00 N ATOM 0 H GLN A 36 1.211 -7.160 -5.232 1.00 0.00 H new ATOM 0 HA GLN A 36 0.761 -9.405 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.443 -8.401 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.370 -8.842 -1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.218 -10.851 -3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.892 -10.594 -3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.640 -11.218 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.125 -12.113 -0.725 1.00 0.00 H new ATOM 584 N LEU A 37 -0.438 -6.936 -3.559 1.00 0.00 N ATOM 585 CA LEU A 37 -1.330 -5.974 -2.933 1.00 0.00 C ATOM 586 C LEU A 37 -2.611 -6.685 -2.491 1.00 0.00 C ATOM 587 O LEU A 37 -2.891 -7.798 -2.932 1.00 0.00 O ATOM 588 CB LEU A 37 -1.576 -4.786 -3.866 1.00 0.00 C ATOM 589 CG LEU A 37 -0.328 -4.057 -4.367 1.00 0.00 C ATOM 590 CD1 LEU A 37 -0.201 -4.171 -5.888 1.00 0.00 C ATOM 591 CD2 LEU A 37 -0.318 -2.601 -3.898 1.00 0.00 C ATOM 0 H LEU A 37 -0.607 -7.090 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.872 -5.556 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.138 -5.139 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.209 -4.066 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 37 0.548 -4.540 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.694 -3.644 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.129 -5.222 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.078 -3.728 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.580 -2.106 -4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.200 -2.089 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.327 -2.570 -2.808 1.00 0.00 H new ATOM 603 N ASP A 38 -3.354 -6.011 -1.626 1.00 0.00 N ATOM 604 CA ASP A 38 -4.599 -6.565 -1.119 1.00 0.00 C ATOM 605 C ASP A 38 -5.371 -5.474 -0.374 1.00 0.00 C ATOM 606 O ASP A 38 -5.006 -5.102 0.741 1.00 0.00 O ATOM 607 CB ASP A 38 -4.334 -7.710 -0.140 1.00 0.00 C ATOM 608 CG ASP A 38 -5.576 -8.495 0.289 1.00 0.00 C ATOM 609 OD1 ASP A 38 -6.498 -8.598 -0.549 1.00 0.00 O ATOM 610 OD2 ASP A 38 -5.575 -8.972 1.444 1.00 0.00 O ATOM 0 H ASP A 38 -3.119 -5.087 -1.263 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.171 -6.941 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.625 -8.401 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.854 -7.303 0.750 1.00 0.00 H new ATOM 615 N PHE A 39 -6.423 -4.992 -1.018 1.00 0.00 N ATOM 616 CA PHE A 39 -7.249 -3.952 -0.430 1.00 0.00 C ATOM 617 C PHE A 39 -7.927 -4.448 0.850 1.00 0.00 C ATOM 618 O PHE A 39 -8.677 -5.421 0.822 1.00 0.00 O ATOM 619 CB PHE A 39 -8.326 -3.601 -1.458 1.00 0.00 C ATOM 620 CG PHE A 39 -7.777 -3.297 -2.854 1.00 0.00 C ATOM 621 CD1 PHE A 39 -6.942 -2.240 -3.041 1.00 0.00 C ATOM 622 CD2 PHE A 39 -8.124 -4.084 -3.908 1.00 0.00 C ATOM 623 CE1 PHE A 39 -6.433 -1.959 -4.337 1.00 0.00 C ATOM 624 CE2 PHE A 39 -7.616 -3.802 -5.203 1.00 0.00 C ATOM 625 CZ PHE A 39 -6.780 -2.745 -5.390 1.00 0.00 C ATOM 0 H PHE A 39 -6.723 -5.303 -1.942 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.634 -3.090 -0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.031 -4.430 -1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.885 -2.736 -1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.666 -1.615 -2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.786 -4.924 -3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.770 -1.120 -4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.893 -4.426 -6.040 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.392 -2.531 -6.375 1.00 0.00 H new ATOM 635 N TRP A 40 -7.636 -3.755 1.941 1.00 0.00 N ATOM 636 CA TRP A 40 -8.208 -4.113 3.229 1.00 0.00 C ATOM 637 C TRP A 40 -9.644 -3.589 3.270 1.00 0.00 C ATOM 638 O TRP A 40 -10.542 -4.268 3.765 1.00 0.00 O ATOM 639 CB TRP A 40 -7.345 -3.584 4.377 1.00 0.00 C ATOM 640 CG TRP A 40 -6.110 -4.439 4.673 1.00 0.00 C ATOM 641 CD1 TRP A 40 -5.450 -5.251 3.836 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.411 -4.532 5.931 1.00 0.00 C ATOM 643 NE1 TRP A 40 -4.380 -5.859 4.461 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.356 -5.408 5.776 1.00 0.00 C ATOM 645 CE3 TRP A 40 -5.661 -3.897 7.160 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -3.467 -5.728 6.809 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -4.765 -4.228 8.183 1.00 0.00 C ATOM 648 CH2 TRP A 40 -3.697 -5.107 8.043 1.00 0.00 C ATOM 0 H TRP A 40 -7.012 -2.948 1.960 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.229 -5.195 3.355 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.024 -2.570 4.139 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -7.955 -3.522 5.278 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.721 -5.410 2.803 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.727 -6.518 4.036 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.480 -3.208 7.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.648 -6.417 6.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.914 -3.768 9.149 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.048 -5.310 8.882 1.00 0.00 H new ATOM 659 N LYS A 41 -9.817 -2.386 2.743 1.00 0.00 N ATOM 660 CA LYS A 41 -11.129 -1.764 2.714 1.00 0.00 C ATOM 661 C LYS A 41 -11.655 -1.758 1.276 1.00 0.00 C ATOM 662 O LYS A 41 -11.091 -2.417 0.404 1.00 0.00 O ATOM 663 CB LYS A 41 -11.079 -0.375 3.354 1.00 0.00 C ATOM 664 CG LYS A 41 -11.368 -0.452 4.854 1.00 0.00 C ATOM 665 CD LYS A 41 -12.418 0.581 5.265 1.00 0.00 C ATOM 666 CE LYS A 41 -11.935 1.413 6.454 1.00 0.00 C ATOM 667 NZ LYS A 41 -13.085 1.945 7.217 1.00 0.00 N ATOM 0 H LYS A 41 -9.070 -1.826 2.333 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.836 -2.340 3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.097 0.069 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.807 0.278 2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.718 -1.452 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.448 -0.283 5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.636 1.237 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.348 0.075 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.312 0.800 7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.314 2.236 6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.738 2.507 8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.664 2.547 6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.662 1.155 7.570 1.00 0.00 H new ATOM 681 N SER A 42 -12.728 -1.009 1.075 1.00 0.00 N ATOM 682 CA SER A 42 -13.336 -0.909 -0.241 1.00 0.00 C ATOM 683 C SER A 42 -13.186 0.514 -0.781 1.00 0.00 C ATOM 684 O SER A 42 -14.029 1.372 -0.522 1.00 0.00 O ATOM 685 CB SER A 42 -14.813 -1.307 -0.197 1.00 0.00 C ATOM 686 OG SER A 42 -15.485 -0.742 0.924 1.00 0.00 O ATOM 0 H SER A 42 -13.193 -0.465 1.802 1.00 0.00 H new ATOM 0 HA SER A 42 -12.821 -1.600 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.303 -0.982 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.895 -2.393 -0.159 1.00 0.00 H new ATOM 0 HG SER A 42 -15.487 0.235 0.846 1.00 0.00 H new ATOM 692 N PRO A 43 -12.078 0.728 -1.540 1.00 0.00 N ATOM 693 CA PRO A 43 -11.806 2.032 -2.118 1.00 0.00 C ATOM 694 C PRO A 43 -12.720 2.302 -3.315 1.00 0.00 C ATOM 695 O PRO A 43 -12.664 3.375 -3.914 1.00 0.00 O ATOM 696 CB PRO A 43 -10.334 1.999 -2.491 1.00 0.00 C ATOM 697 CG PRO A 43 -9.948 0.529 -2.537 1.00 0.00 C ATOM 698 CD PRO A 43 -11.058 -0.264 -1.865 1.00 0.00 C ATOM 0 HA PRO A 43 -12.009 2.849 -1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.165 2.478 -3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.733 2.538 -1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.815 0.201 -3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.999 0.367 -2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.452 -1.034 -2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.697 -0.769 -0.969 1.00 0.00 H new ATOM 706 N THR A 44 -13.540 1.310 -3.628 1.00 0.00 N ATOM 707 CA THR A 44 -14.465 1.428 -4.742 1.00 0.00 C ATOM 708 C THR A 44 -15.029 2.847 -4.821 1.00 0.00 C ATOM 709 O THR A 44 -14.849 3.536 -5.825 1.00 0.00 O ATOM 710 CB THR A 44 -15.543 0.354 -4.578 1.00 0.00 C ATOM 711 OG1 THR A 44 -15.022 -0.772 -5.278 1.00 0.00 O ATOM 712 CG2 THR A 44 -16.831 0.698 -5.330 1.00 0.00 C ATOM 0 H THR A 44 -13.583 0.421 -3.130 1.00 0.00 H new ATOM 0 HA THR A 44 -13.960 1.260 -5.693 1.00 0.00 H new ATOM 0 HB THR A 44 -15.765 0.222 -3.519 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.658 -1.516 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.563 -0.096 -5.181 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.233 1.638 -4.952 1.00 0.00 H new ATOM 0 HG23 THR A 44 -16.616 0.798 -6.394 1.00 0.00 H new ATOM 720 N THR A 45 -15.698 3.245 -3.749 1.00 0.00 N ATOM 721 CA THR A 45 -16.289 4.571 -3.684 1.00 0.00 C ATOM 722 C THR A 45 -15.284 5.574 -3.115 1.00 0.00 C ATOM 723 O THR A 45 -14.361 5.195 -2.396 1.00 0.00 O ATOM 724 CB THR A 45 -17.579 4.474 -2.869 1.00 0.00 C ATOM 725 OG1 THR A 45 -17.132 4.381 -1.519 1.00 0.00 O ATOM 726 CG2 THR A 45 -18.324 3.158 -3.106 1.00 0.00 C ATOM 0 H THR A 45 -15.844 2.672 -2.918 1.00 0.00 H new ATOM 0 HA THR A 45 -16.543 4.941 -4.677 1.00 0.00 H new ATOM 0 HB THR A 45 -18.230 5.311 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.880 4.115 -0.944 1.00 0.00 H new ATOM 0 HG21 THR A 45 -19.232 3.140 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 45 -18.586 3.073 -4.161 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.685 2.322 -2.823 1.00 0.00 H new ATOM 734 N PRO A 46 -15.505 6.870 -3.466 1.00 0.00 N ATOM 735 CA PRO A 46 -14.629 7.931 -2.998 1.00 0.00 C ATOM 736 C PRO A 46 -14.894 8.250 -1.525 1.00 0.00 C ATOM 737 O PRO A 46 -15.994 8.024 -1.025 1.00 0.00 O ATOM 738 CB PRO A 46 -14.910 9.107 -3.920 1.00 0.00 C ATOM 739 CG PRO A 46 -16.254 8.817 -4.568 1.00 0.00 C ATOM 740 CD PRO A 46 -16.588 7.356 -4.315 1.00 0.00 C ATOM 0 HA PRO A 46 -13.575 7.655 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.939 10.043 -3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.128 9.209 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.026 9.463 -4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.213 9.019 -5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.555 7.250 -3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.642 6.795 -5.248 1.00 0.00 H new ATOM 748 N GLY A 47 -13.865 8.770 -0.872 1.00 0.00 N ATOM 749 CA GLY A 47 -13.972 9.121 0.534 1.00 0.00 C ATOM 750 C GLY A 47 -13.733 7.900 1.424 1.00 0.00 C ATOM 751 O GLY A 47 -13.747 8.010 2.650 1.00 0.00 O ATOM 0 H GLY A 47 -12.954 8.957 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.247 9.898 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.960 9.534 0.735 1.00 0.00 H new ATOM 755 N GLU A 48 -13.520 6.766 0.774 1.00 0.00 N ATOM 756 CA GLU A 48 -13.278 5.526 1.492 1.00 0.00 C ATOM 757 C GLU A 48 -11.782 5.209 1.515 1.00 0.00 C ATOM 758 O GLU A 48 -11.214 4.802 0.503 1.00 0.00 O ATOM 759 CB GLU A 48 -14.074 4.373 0.877 1.00 0.00 C ATOM 760 CG GLU A 48 -15.567 4.703 0.826 1.00 0.00 C ATOM 761 CD GLU A 48 -16.410 3.427 0.789 1.00 0.00 C ATOM 762 OE1 GLU A 48 -15.794 2.339 0.796 1.00 0.00 O ATOM 763 OE2 GLU A 48 -17.652 3.568 0.754 1.00 0.00 O ATOM 0 H GLU A 48 -13.510 6.679 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.618 5.651 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.708 4.170 -0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.918 3.466 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.841 5.299 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.779 5.309 -0.055 1.00 0.00 H new ATOM 770 N THR A 49 -11.185 5.407 2.682 1.00 0.00 N ATOM 771 CA THR A 49 -9.766 5.147 2.849 1.00 0.00 C ATOM 772 C THR A 49 -9.447 3.690 2.508 1.00 0.00 C ATOM 773 O THR A 49 -10.214 2.788 2.838 1.00 0.00 O ATOM 774 CB THR A 49 -9.380 5.534 4.278 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.448 5.031 5.075 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.425 7.046 4.507 1.00 0.00 C ATOM 0 H THR A 49 -11.659 5.744 3.520 1.00 0.00 H new ATOM 0 HA THR A 49 -9.170 5.747 2.161 1.00 0.00 H new ATOM 0 HB THR A 49 -8.379 5.163 4.496 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.278 5.237 6.018 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.143 7.267 5.536 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.730 7.538 3.827 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.435 7.412 4.321 1.00 0.00 H new ATOM 784 N ALA A 50 -8.311 3.505 1.850 1.00 0.00 N ATOM 785 CA ALA A 50 -7.881 2.173 1.460 1.00 0.00 C ATOM 786 C ALA A 50 -6.610 1.806 2.229 1.00 0.00 C ATOM 787 O ALA A 50 -5.876 2.686 2.676 1.00 0.00 O ATOM 788 CB ALA A 50 -7.678 2.125 -0.056 1.00 0.00 C ATOM 0 H ALA A 50 -7.676 4.255 1.577 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.643 1.436 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.355 1.126 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.616 2.364 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.918 2.851 -0.344 1.00 0.00 H new ATOM 794 N HIS A 51 -6.389 0.507 2.359 1.00 0.00 N ATOM 795 CA HIS A 51 -5.220 0.013 3.067 1.00 0.00 C ATOM 796 C HIS A 51 -4.771 -1.314 2.453 1.00 0.00 C ATOM 797 O HIS A 51 -5.320 -2.368 2.773 1.00 0.00 O ATOM 798 CB HIS A 51 -5.497 -0.091 4.568 1.00 0.00 C ATOM 799 CG HIS A 51 -6.498 0.918 5.079 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.726 0.556 5.606 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.440 2.279 5.140 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.369 1.658 5.964 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.570 2.724 5.674 1.00 0.00 N ATOM 0 H HIS A 51 -7.000 -0.220 1.986 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.398 0.720 2.957 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.861 -1.094 4.791 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.560 0.036 5.110 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.076 -0.397 5.702 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.614 2.891 4.810 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.353 1.704 6.407 1.00 0.00 H new ATOM 812 N VAL A 52 -3.777 -1.220 1.582 1.00 0.00 N ATOM 813 CA VAL A 52 -3.248 -2.400 0.920 1.00 0.00 C ATOM 814 C VAL A 52 -1.890 -2.756 1.529 1.00 0.00 C ATOM 815 O VAL A 52 -1.022 -1.895 1.666 1.00 0.00 O ATOM 816 CB VAL A 52 -3.182 -2.169 -0.591 1.00 0.00 C ATOM 817 CG1 VAL A 52 -4.574 -2.259 -1.220 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.523 -0.826 -0.911 1.00 0.00 C ATOM 0 H VAL A 52 -3.324 -0.345 1.319 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.909 -3.253 1.076 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.566 -2.957 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.499 -2.091 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.993 -3.248 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.222 -1.502 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.488 -0.686 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.101 -0.020 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.509 -0.814 -0.511 1.00 0.00 H new ATOM 828 N ARG A 53 -1.750 -4.026 1.880 1.00 0.00 N ATOM 829 CA ARG A 53 -0.512 -4.505 2.472 1.00 0.00 C ATOM 830 C ARG A 53 0.519 -4.800 1.381 1.00 0.00 C ATOM 831 O ARG A 53 0.622 -5.931 0.908 1.00 0.00 O ATOM 832 CB ARG A 53 -0.749 -5.773 3.294 1.00 0.00 C ATOM 833 CG ARG A 53 0.503 -6.159 4.084 1.00 0.00 C ATOM 834 CD ARG A 53 0.392 -7.585 4.628 1.00 0.00 C ATOM 835 NE ARG A 53 0.474 -8.558 3.516 1.00 0.00 N ATOM 836 CZ ARG A 53 0.425 -9.887 3.677 1.00 0.00 C ATOM 837 NH1 ARG A 53 0.295 -10.409 4.905 1.00 0.00 N ATOM 838 NH2 ARG A 53 0.508 -10.695 2.611 1.00 0.00 N ATOM 0 H ARG A 53 -2.472 -4.737 1.766 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.136 -3.723 3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.581 -5.615 3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.032 -6.592 2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.381 -6.078 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.646 -5.461 4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.190 -7.772 5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.551 -7.708 5.161 1.00 0.00 H new ATOM 0 HE ARG A 53 0.574 -8.194 2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.233 -9.794 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.258 -11.421 5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.609 -10.298 1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.471 -11.707 2.734 1.00 0.00 H new ATOM 852 N VAL A 54 1.257 -3.763 1.013 1.00 0.00 N ATOM 853 CA VAL A 54 2.277 -3.896 -0.014 1.00 0.00 C ATOM 854 C VAL A 54 3.628 -4.174 0.648 1.00 0.00 C ATOM 855 O VAL A 54 3.896 -3.689 1.747 1.00 0.00 O ATOM 856 CB VAL A 54 2.291 -2.651 -0.902 1.00 0.00 C ATOM 857 CG1 VAL A 54 3.272 -1.606 -0.366 1.00 0.00 C ATOM 858 CG2 VAL A 54 2.615 -3.015 -2.352 1.00 0.00 C ATOM 0 H VAL A 54 1.169 -2.827 1.408 1.00 0.00 H new ATOM 0 HA VAL A 54 2.055 -4.741 -0.666 1.00 0.00 H new ATOM 0 HB VAL A 54 1.293 -2.214 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.262 -0.731 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.977 -1.313 0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.276 -2.029 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.619 -2.112 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.596 -3.488 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.862 -3.706 -2.731 1.00 0.00 H new ATOM 868 N PRO A 55 4.465 -4.972 -0.066 1.00 0.00 N ATOM 869 CA PRO A 55 5.782 -5.320 0.440 1.00 0.00 C ATOM 870 C PRO A 55 6.747 -4.139 0.315 1.00 0.00 C ATOM 871 O PRO A 55 6.772 -3.460 -0.710 1.00 0.00 O ATOM 872 CB PRO A 55 6.211 -6.528 -0.378 1.00 0.00 C ATOM 873 CG PRO A 55 5.332 -6.526 -1.616 1.00 0.00 C ATOM 874 CD PRO A 55 4.181 -5.565 -1.371 1.00 0.00 C ATOM 0 HA PRO A 55 5.775 -5.558 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.265 -6.463 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.084 -7.450 0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.906 -6.219 -2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.955 -7.529 -1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.128 -4.803 -2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.224 -6.086 -1.369 1.00 0.00 H new ATOM 882 N PHE A 56 7.516 -3.931 1.373 1.00 0.00 N ATOM 883 CA PHE A 56 8.479 -2.843 1.395 1.00 0.00 C ATOM 884 C PHE A 56 9.339 -2.847 0.129 1.00 0.00 C ATOM 885 O PHE A 56 9.643 -1.790 -0.422 1.00 0.00 O ATOM 886 CB PHE A 56 9.383 -3.070 2.610 1.00 0.00 C ATOM 887 CG PHE A 56 10.067 -1.801 3.121 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.424 -0.989 4.002 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.319 -1.484 2.694 1.00 0.00 C ATOM 890 CE1 PHE A 56 10.059 0.188 4.477 1.00 0.00 C ATOM 891 CE2 PHE A 56 11.954 -0.307 3.169 1.00 0.00 C ATOM 892 CZ PHE A 56 11.311 0.504 4.051 1.00 0.00 C ATOM 0 H PHE A 56 7.492 -4.497 2.221 1.00 0.00 H new ATOM 0 HA PHE A 56 7.959 -1.887 1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.789 -3.501 3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.147 -3.803 2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.430 -1.240 4.340 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.830 -2.128 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.548 0.833 5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.948 -0.055 2.830 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.795 1.399 4.413 1.00 0.00 H new ATOM 902 N VAL A 57 9.704 -4.048 -0.297 1.00 0.00 N ATOM 903 CA VAL A 57 10.522 -4.202 -1.489 1.00 0.00 C ATOM 904 C VAL A 57 9.722 -3.749 -2.713 1.00 0.00 C ATOM 905 O VAL A 57 10.296 -3.474 -3.765 1.00 0.00 O ATOM 906 CB VAL A 57 11.018 -5.645 -1.599 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.886 -6.636 -1.321 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.650 -5.904 -2.967 1.00 0.00 C ATOM 0 H VAL A 57 9.449 -4.923 0.161 1.00 0.00 H new ATOM 0 HA VAL A 57 11.409 -3.571 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 57 11.787 -5.794 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.265 -7.654 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.500 -6.475 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.085 -6.486 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.994 -6.937 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.911 -5.728 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.496 -5.232 -3.110 1.00 0.00 H new ATOM 918 N ASN A 58 8.411 -3.687 -2.533 1.00 0.00 N ATOM 919 CA ASN A 58 7.527 -3.273 -3.610 1.00 0.00 C ATOM 920 C ASN A 58 6.747 -2.032 -3.174 1.00 0.00 C ATOM 921 O ASN A 58 5.777 -1.644 -3.824 1.00 0.00 O ATOM 922 CB ASN A 58 6.517 -4.371 -3.947 1.00 0.00 C ATOM 923 CG ASN A 58 5.930 -4.166 -5.345 1.00 0.00 C ATOM 924 OD1 ASN A 58 6.553 -4.445 -6.356 1.00 0.00 O ATOM 925 ND2 ASN A 58 4.698 -3.665 -5.345 1.00 0.00 N ATOM 0 H ASN A 58 7.939 -3.916 -1.658 1.00 0.00 H new ATOM 0 HA ASN A 58 8.139 -3.065 -4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.002 -5.346 -3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.715 -4.372 -3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.218 -3.492 -6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.233 -3.454 -4.462 1.00 0.00 H new ATOM 932 N VAL A 59 7.201 -1.441 -2.078 1.00 0.00 N ATOM 933 CA VAL A 59 6.557 -0.251 -1.549 1.00 0.00 C ATOM 934 C VAL A 59 6.942 0.956 -2.407 1.00 0.00 C ATOM 935 O VAL A 59 6.171 1.908 -2.526 1.00 0.00 O ATOM 936 CB VAL A 59 6.919 -0.074 -0.072 1.00 0.00 C ATOM 937 CG1 VAL A 59 6.973 1.409 0.305 1.00 0.00 C ATOM 938 CG2 VAL A 59 5.943 -0.834 0.827 1.00 0.00 C ATOM 0 H VAL A 59 8.007 -1.764 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 59 5.473 -0.350 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 59 7.912 -0.495 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.232 1.507 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.726 1.912 -0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.999 1.865 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.223 -0.691 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.933 -0.457 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.976 -1.896 0.584 1.00 0.00 H new ATOM 948 N GLN A 60 8.132 0.878 -2.982 1.00 0.00 N ATOM 949 CA GLN A 60 8.628 1.952 -3.826 1.00 0.00 C ATOM 950 C GLN A 60 7.796 2.047 -5.108 1.00 0.00 C ATOM 951 O GLN A 60 7.070 3.018 -5.310 1.00 0.00 O ATOM 952 CB GLN A 60 10.110 1.757 -4.149 1.00 0.00 C ATOM 953 CG GLN A 60 10.772 3.089 -4.511 1.00 0.00 C ATOM 954 CD GLN A 60 11.999 2.866 -5.400 1.00 0.00 C ATOM 955 OE1 GLN A 60 13.092 2.590 -4.935 1.00 0.00 O ATOM 956 NE2 GLN A 60 11.756 3.002 -6.700 1.00 0.00 N ATOM 0 H GLN A 60 8.768 0.087 -2.880 1.00 0.00 H new ATOM 0 HA GLN A 60 8.530 2.891 -3.280 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.618 1.316 -3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.216 1.057 -4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.055 3.727 -5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.067 3.612 -3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.816 3.234 -7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.509 2.874 -7.376 1.00 0.00 H new ATOM 965 N ALA A 61 7.931 1.025 -5.939 1.00 0.00 N ATOM 966 CA ALA A 61 7.202 0.981 -7.195 1.00 0.00 C ATOM 967 C ALA A 61 5.758 1.426 -6.957 1.00 0.00 C ATOM 968 O ALA A 61 5.162 2.089 -7.804 1.00 0.00 O ATOM 969 CB ALA A 61 7.288 -0.428 -7.787 1.00 0.00 C ATOM 0 H ALA A 61 8.534 0.221 -5.767 1.00 0.00 H new ATOM 0 HA ALA A 61 7.643 1.666 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.741 -0.461 -8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.332 -0.685 -7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.852 -1.143 -7.089 1.00 0.00 H new ATOM 975 N VAL A 62 5.237 1.042 -5.801 1.00 0.00 N ATOM 976 CA VAL A 62 3.874 1.393 -5.440 1.00 0.00 C ATOM 977 C VAL A 62 3.817 2.874 -5.060 1.00 0.00 C ATOM 978 O VAL A 62 2.899 3.587 -5.460 1.00 0.00 O ATOM 979 CB VAL A 62 3.373 0.471 -4.328 1.00 0.00 C ATOM 980 CG1 VAL A 62 2.067 0.996 -3.727 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.204 -0.962 -4.838 1.00 0.00 C ATOM 0 H VAL A 62 5.735 0.491 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 62 3.205 1.249 -6.289 1.00 0.00 H new ATOM 0 HB VAL A 62 4.125 0.460 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.732 0.322 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.232 1.989 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.305 1.051 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.847 -1.597 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.482 -0.975 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.163 -1.336 -5.196 1.00 0.00 H new ATOM 991 N LYS A 63 4.811 3.293 -4.290 1.00 0.00 N ATOM 992 CA LYS A 63 4.886 4.676 -3.851 1.00 0.00 C ATOM 993 C LYS A 63 4.950 5.592 -5.075 1.00 0.00 C ATOM 994 O LYS A 63 4.408 6.697 -5.056 1.00 0.00 O ATOM 995 CB LYS A 63 6.051 4.867 -2.878 1.00 0.00 C ATOM 996 CG LYS A 63 6.621 6.284 -2.976 1.00 0.00 C ATOM 997 CD LYS A 63 7.522 6.596 -1.780 1.00 0.00 C ATOM 998 CE LYS A 63 6.750 7.344 -0.692 1.00 0.00 C ATOM 999 NZ LYS A 63 7.519 8.517 -0.223 1.00 0.00 N ATOM 0 H LYS A 63 5.571 2.699 -3.959 1.00 0.00 H new ATOM 0 HA LYS A 63 3.989 4.949 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.713 4.677 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.834 4.140 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.189 6.388 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.805 7.006 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.925 5.669 -1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.371 7.197 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.784 7.667 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.550 6.675 0.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.980 9.013 0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.430 8.202 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.688 9.163 -1.021 1.00 0.00 H new ATOM 1013 N VAL A 64 5.618 5.101 -6.108 1.00 0.00 N ATOM 1014 CA VAL A 64 5.759 5.862 -7.338 1.00 0.00 C ATOM 1015 C VAL A 64 4.430 5.850 -8.095 1.00 0.00 C ATOM 1016 O VAL A 64 4.082 6.825 -8.760 1.00 0.00 O ATOM 1017 CB VAL A 64 6.922 5.310 -8.163 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.812 5.745 -9.626 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.267 5.731 -7.566 1.00 0.00 C ATOM 0 H VAL A 64 6.068 4.186 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 64 5.998 6.903 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 64 6.867 4.222 -8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.651 5.339 -10.190 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.878 5.373 -10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.828 6.833 -9.684 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.077 5.325 -8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.334 6.819 -7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.349 5.349 -6.548 1.00 0.00 H new ATOM 1029 N PHE A 65 3.724 4.736 -7.970 1.00 0.00 N ATOM 1030 CA PHE A 65 2.440 4.586 -8.635 1.00 0.00 C ATOM 1031 C PHE A 65 1.428 5.607 -8.112 1.00 0.00 C ATOM 1032 O PHE A 65 0.870 6.384 -8.884 1.00 0.00 O ATOM 1033 CB PHE A 65 1.935 3.177 -8.318 1.00 0.00 C ATOM 1034 CG PHE A 65 0.732 2.743 -9.157 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.890 2.457 -10.477 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.497 2.646 -8.583 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.227 2.055 -11.256 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.615 2.244 -9.361 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.456 1.956 -10.681 1.00 0.00 C ATOM 0 H PHE A 65 4.016 3.929 -7.419 1.00 0.00 H new ATOM 0 HA PHE A 65 2.555 4.746 -9.707 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.748 2.468 -8.473 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.666 3.128 -7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.866 2.536 -10.933 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.623 2.875 -7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.101 1.828 -12.304 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.591 2.167 -8.905 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.306 1.649 -11.273 1.00 0.00 H new ATOM 1049 N LEU A 66 1.222 5.571 -6.804 1.00 0.00 N ATOM 1050 CA LEU A 66 0.287 6.484 -6.169 1.00 0.00 C ATOM 1051 C LEU A 66 0.531 7.902 -6.689 1.00 0.00 C ATOM 1052 O LEU A 66 -0.387 8.551 -7.187 1.00 0.00 O ATOM 1053 CB LEU A 66 0.373 6.364 -4.646 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.316 5.145 -4.029 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.463 4.631 -2.816 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.774 5.457 -3.683 1.00 0.00 C ATOM 0 H LEU A 66 1.686 4.924 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.738 6.221 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.425 6.344 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.059 7.262 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.324 4.345 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.048 3.764 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.469 4.345 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.524 5.417 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.241 4.574 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.810 6.279 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.310 5.741 -4.589 1.00 0.00 H new ATOM 1068 N GLU A 67 1.775 8.340 -6.556 1.00 0.00 N ATOM 1069 CA GLU A 67 2.152 9.669 -7.007 1.00 0.00 C ATOM 1070 C GLU A 67 1.862 9.825 -8.501 1.00 0.00 C ATOM 1071 O GLU A 67 1.332 10.848 -8.931 1.00 0.00 O ATOM 1072 CB GLU A 67 3.623 9.955 -6.700 1.00 0.00 C ATOM 1073 CG GLU A 67 3.781 10.605 -5.324 1.00 0.00 C ATOM 1074 CD GLU A 67 4.215 12.066 -5.454 1.00 0.00 C ATOM 1075 OE1 GLU A 67 5.432 12.282 -5.641 1.00 0.00 O ATOM 1076 OE2 GLU A 67 3.321 12.934 -5.363 1.00 0.00 O ATOM 0 H GLU A 67 2.534 7.798 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 67 1.553 10.400 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.192 9.026 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.037 10.611 -7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.837 10.549 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.518 10.054 -4.740 1.00 0.00 H new ATOM 1083 N SER A 68 2.223 8.795 -9.251 1.00 0.00 N ATOM 1084 CA SER A 68 2.008 8.804 -10.688 1.00 0.00 C ATOM 1085 C SER A 68 0.530 9.048 -10.995 1.00 0.00 C ATOM 1086 O SER A 68 0.197 9.807 -11.905 1.00 0.00 O ATOM 1087 CB SER A 68 2.473 7.491 -11.323 1.00 0.00 C ATOM 1088 OG SER A 68 1.462 6.488 -11.276 1.00 0.00 O ATOM 0 H SER A 68 2.663 7.948 -8.891 1.00 0.00 H new ATOM 0 HA SER A 68 2.599 9.613 -11.117 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.758 7.671 -12.360 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.363 7.133 -10.805 1.00 0.00 H new ATOM 0 HG SER A 68 1.250 6.281 -10.342 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.319 8.389 -10.220 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.755 8.525 -10.397 1.00 0.00 C ATOM 1096 C GLN A 69 -2.257 9.795 -9.708 1.00 0.00 C ATOM 1097 O GLN A 69 -3.462 9.985 -9.549 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.491 7.290 -9.875 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.212 7.074 -8.386 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.102 5.967 -7.817 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -2.639 5.009 -7.219 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -4.401 6.150 -8.035 1.00 0.00 N ATOM 0 H GLN A 69 -0.040 7.759 -9.468 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.964 8.608 -11.464 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.563 7.407 -10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.179 6.411 -10.438 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.164 6.812 -8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.386 8.002 -7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.722 6.974 -8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.077 5.466 -7.694 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.308 10.633 -9.316 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.639 11.879 -8.648 1.00 0.00 C ATOM 1113 C GLY A 70 -2.686 11.653 -7.554 1.00 0.00 C ATOM 1114 O GLY A 70 -3.721 12.316 -7.534 1.00 0.00 O ATOM 0 H GLY A 70 -0.309 10.473 -9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.739 12.312 -8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.017 12.597 -9.376 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.378 10.716 -6.670 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.278 10.395 -5.575 1.00 0.00 C ATOM 1120 C ILE A 71 -2.663 10.871 -4.258 1.00 0.00 C ATOM 1121 O ILE A 71 -1.517 11.317 -4.230 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.627 8.906 -5.588 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.822 8.614 -4.679 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.409 8.054 -5.225 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.555 7.347 -5.125 1.00 0.00 C ATOM 0 H ILE A 71 -1.518 10.168 -6.689 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.225 10.922 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.920 8.633 -6.602 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.481 8.498 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.509 9.460 -4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.685 7.000 -5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.612 8.232 -5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.061 8.322 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.400 7.163 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.916 7.476 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.872 6.499 -5.086 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.452 10.759 -3.199 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.999 11.173 -1.881 1.00 0.00 C ATOM 1139 C ALA A 72 -3.092 9.986 -0.919 1.00 0.00 C ATOM 1140 O ALA A 72 -4.178 9.455 -0.687 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.825 12.372 -1.411 1.00 0.00 C ATOM 0 H ALA A 72 -4.402 10.388 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.956 11.489 -1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.486 12.683 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.701 13.197 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.877 12.092 -1.362 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.941 9.606 -0.387 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.879 8.493 0.545 1.00 0.00 C ATOM 1149 C TYR A 73 -1.025 8.845 1.765 1.00 0.00 C ATOM 1150 O TYR A 73 -0.664 10.004 1.960 1.00 0.00 O ATOM 1151 CB TYR A 73 -1.214 7.344 -0.214 1.00 0.00 C ATOM 1152 CG TYR A 73 -0.013 7.771 -1.061 1.00 0.00 C ATOM 1153 CD1 TYR A 73 -0.199 8.575 -2.167 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.258 7.353 -0.718 1.00 0.00 C ATOM 1155 CE1 TYR A 73 0.931 8.977 -2.964 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.388 7.754 -1.515 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.169 8.546 -2.598 1.00 0.00 C ATOM 1158 OH TYR A 73 3.236 8.926 -3.350 1.00 0.00 O ATOM 0 H TYR A 73 -1.043 10.049 -0.583 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.876 8.236 0.902 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.891 6.588 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.954 6.874 -0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.193 8.903 -2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.404 6.725 0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.799 9.606 -3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.387 7.433 -1.258 1.00 0.00 H new ATOM 0 HH TYR A 73 3.569 8.157 -3.857 1.00 0.00 H new ATOM 1168 N SER A 74 -0.727 7.824 2.554 1.00 0.00 N ATOM 1169 CA SER A 74 0.077 8.011 3.749 1.00 0.00 C ATOM 1170 C SER A 74 0.586 6.659 4.254 1.00 0.00 C ATOM 1171 O SER A 74 0.131 5.611 3.799 1.00 0.00 O ATOM 1172 CB SER A 74 -0.720 8.721 4.844 1.00 0.00 C ATOM 1173 OG SER A 74 -0.582 10.138 4.772 1.00 0.00 O ATOM 0 H SER A 74 -1.028 6.864 2.389 1.00 0.00 H new ATOM 0 HA SER A 74 0.929 8.640 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.773 8.455 4.756 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.383 8.373 5.821 1.00 0.00 H new ATOM 0 HG SER A 74 -0.592 10.420 3.834 1.00 0.00 H new ATOM 1179 N ILE A 75 1.523 6.726 5.188 1.00 0.00 N ATOM 1180 CA ILE A 75 2.098 5.521 5.760 1.00 0.00 C ATOM 1181 C ILE A 75 1.428 5.229 7.105 1.00 0.00 C ATOM 1182 O ILE A 75 1.365 6.097 7.973 1.00 0.00 O ATOM 1183 CB ILE A 75 3.621 5.643 5.847 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.225 5.947 4.474 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.236 4.393 6.481 1.00 0.00 C ATOM 1186 CD1 ILE A 75 5.040 7.241 4.508 1.00 0.00 C ATOM 0 H ILE A 75 1.899 7.597 5.563 1.00 0.00 H new ATOM 0 HA ILE A 75 1.905 4.664 5.114 1.00 0.00 H new ATOM 0 HB ILE A 75 3.861 6.484 6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.862 5.120 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.430 6.033 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.319 4.506 6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.838 4.262 7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.990 3.520 5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.458 7.434 3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.394 8.070 4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.849 7.142 5.231 1.00 0.00 H new ATOM 1198 N MET A 76 0.942 4.004 7.233 1.00 0.00 N ATOM 1199 CA MET A 76 0.278 3.587 8.457 1.00 0.00 C ATOM 1200 C MET A 76 1.177 2.662 9.281 1.00 0.00 C ATOM 1201 O MET A 76 1.648 3.042 10.352 1.00 0.00 O ATOM 1202 CB MET A 76 -1.021 2.858 8.109 1.00 0.00 C ATOM 1203 CG MET A 76 -1.863 2.609 9.363 1.00 0.00 C ATOM 1204 SD MET A 76 -2.428 4.162 10.037 1.00 0.00 S ATOM 1205 CE MET A 76 -1.723 4.064 11.674 1.00 0.00 C ATOM 0 H MET A 76 0.994 3.286 6.510 1.00 0.00 H new ATOM 0 HA MET A 76 0.060 4.475 9.051 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.593 3.449 7.394 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.791 1.908 7.626 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.717 1.977 9.118 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.273 2.073 10.107 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.981 4.962 12.236 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.118 3.188 12.188 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.639 3.982 11.599 1.00 0.00 H new ATOM 1215 N ILE A 77 1.388 1.467 8.750 1.00 0.00 N ATOM 1216 CA ILE A 77 2.223 0.486 9.423 1.00 0.00 C ATOM 1217 C ILE A 77 3.534 0.323 8.651 1.00 0.00 C ATOM 1218 O ILE A 77 3.528 -0.077 7.487 1.00 0.00 O ATOM 1219 CB ILE A 77 1.458 -0.824 9.618 1.00 0.00 C ATOM 1220 CG1 ILE A 77 0.385 -0.999 8.541 1.00 0.00 C ATOM 1221 CG2 ILE A 77 0.872 -0.911 11.030 1.00 0.00 C ATOM 1222 CD1 ILE A 77 -0.454 -2.251 8.802 1.00 0.00 C ATOM 0 H ILE A 77 0.995 1.155 7.862 1.00 0.00 H new ATOM 0 HA ILE A 77 2.483 0.829 10.424 1.00 0.00 H new ATOM 0 HB ILE A 77 2.161 -1.650 9.509 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.261 -0.122 8.520 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.857 -1.071 7.561 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.333 -1.852 11.143 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.678 -0.865 11.762 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.187 -0.079 11.192 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.209 -2.352 8.022 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.192 -3.129 8.798 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.943 -2.165 9.772 1.00 0.00 H new ATOM 1234 N GLU A 78 4.627 0.640 9.330 1.00 0.00 N ATOM 1235 CA GLU A 78 5.942 0.533 8.723 1.00 0.00 C ATOM 1236 C GLU A 78 6.943 -0.046 9.724 1.00 0.00 C ATOM 1237 O GLU A 78 6.594 -0.909 10.528 1.00 0.00 O ATOM 1238 CB GLU A 78 6.415 1.890 8.197 1.00 0.00 C ATOM 1239 CG GLU A 78 7.337 1.718 6.988 1.00 0.00 C ATOM 1240 CD GLU A 78 8.592 2.583 7.128 1.00 0.00 C ATOM 1241 OE1 GLU A 78 9.070 2.707 8.275 1.00 0.00 O ATOM 1242 OE2 GLU A 78 9.043 3.100 6.083 1.00 0.00 O ATOM 0 H GLU A 78 4.628 0.971 10.295 1.00 0.00 H new ATOM 0 HA GLU A 78 5.874 -0.146 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.553 2.497 7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.941 2.427 8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.622 0.671 6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.803 1.990 6.077 1.00 0.00 H new ATOM 1249 N ASP A 79 8.169 0.452 9.644 1.00 0.00 N ATOM 1250 CA ASP A 79 9.223 -0.005 10.533 1.00 0.00 C ATOM 1251 C ASP A 79 9.155 0.782 11.844 1.00 0.00 C ATOM 1252 O ASP A 79 9.992 1.647 12.096 1.00 0.00 O ATOM 1253 CB ASP A 79 10.603 0.226 9.914 1.00 0.00 C ATOM 1254 CG ASP A 79 11.137 -0.936 9.074 1.00 0.00 C ATOM 1255 OD1 ASP A 79 10.642 -2.065 9.286 1.00 0.00 O ATOM 1256 OD2 ASP A 79 12.028 -0.669 8.239 1.00 0.00 O ATOM 0 H ASP A 79 8.455 1.168 8.976 1.00 0.00 H new ATOM 0 HA ASP A 79 9.079 -1.071 10.707 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.559 1.117 9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.314 0.433 10.714 1.00 0.00 H new ATOM 1261 N VAL A 80 8.151 0.452 12.643 1.00 0.00 N ATOM 1262 CA VAL A 80 7.963 1.117 13.922 1.00 0.00 C ATOM 1263 C VAL A 80 9.321 1.296 14.602 1.00 0.00 C ATOM 1264 O VAL A 80 9.901 0.333 15.102 1.00 0.00 O ATOM 1265 CB VAL A 80 6.964 0.334 14.776 1.00 0.00 C ATOM 1266 CG1 VAL A 80 7.628 -0.891 15.410 1.00 0.00 C ATOM 1267 CG2 VAL A 80 6.335 1.231 15.843 1.00 0.00 C ATOM 0 H VAL A 80 7.459 -0.267 12.430 1.00 0.00 H new ATOM 0 HA VAL A 80 7.538 2.111 13.778 1.00 0.00 H new ATOM 0 HB VAL A 80 6.166 -0.018 14.122 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.897 -1.430 16.012 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.007 -1.546 14.626 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.454 -0.570 16.044 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.629 0.650 16.436 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.116 1.626 16.493 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.811 2.057 15.362 1.00 0.00 H new ATOM 1277 N GLN A 81 9.790 2.535 14.600 1.00 0.00 N ATOM 1278 CA GLN A 81 11.069 2.854 15.211 1.00 0.00 C ATOM 1279 C GLN A 81 11.082 2.409 16.676 1.00 0.00 C ATOM 1280 O GLN A 81 12.001 2.744 17.421 1.00 0.00 O ATOM 1281 CB GLN A 81 11.379 4.347 15.090 1.00 0.00 C ATOM 1282 CG GLN A 81 11.939 4.679 13.705 1.00 0.00 C ATOM 1283 CD GLN A 81 11.017 5.643 12.956 1.00 0.00 C ATOM 1284 OE1 GLN A 81 10.190 5.251 12.151 1.00 0.00 O ATOM 1285 NE2 GLN A 81 11.205 6.922 13.267 1.00 0.00 N ATOM 0 H GLN A 81 9.306 3.331 14.184 1.00 0.00 H new ATOM 0 HA GLN A 81 11.849 2.311 14.678 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.473 4.926 15.268 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.098 4.636 15.856 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.929 5.123 13.806 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.058 3.762 13.128 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.916 7.181 13.951 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.638 7.644 12.822 1.00 0.00 H new TER 1294 GLN A 81