USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 62 ASN : amide:sc= 1 X(o=1.9,f=1.7) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.915 USER MOD Set 2.1: A 13 GLN : amide:sc= 1.13 K(o=2,f=0.22) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.908 K(o=2,f=0.28) USER MOD Single : A 1 MET CE :methyl 147:sc= -0.0649 (180deg=-1.61) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.123 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.17 K(o=1.2,f=-2!) USER MOD Single : A 4 TYR OH : rot 104:sc= 0.804 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.497 K(o=0.5,f=-2.2) USER MOD Single : A 23 MET CE :methyl 138:sc= -0.855 (180deg=-1.79!) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.07 (180deg=1.05) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= 1.11 (180deg=0.763) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.794 K(o=0.79,f=-0.2) USER MOD Single : A 55 SER OG : rot 78:sc= 1.24 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0871 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -70:sc= 0.791 USER MOD Single : A 77 SER OG : rot 3:sc= 0.349 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.396 K(o=0.4,f=-2.5!) USER MOD Single : A 84 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.895 -0.836 1.478 1.00 0.00 N ATOM 2 CA MET A 1 2.343 -0.383 0.174 1.00 0.00 C ATOM 3 C MET A 1 2.642 -1.437 -0.913 1.00 0.00 C ATOM 4 O MET A 1 3.380 -2.389 -0.646 1.00 0.00 O ATOM 5 CB MET A 1 2.860 1.029 -0.184 1.00 0.00 C ATOM 6 CG MET A 1 1.795 1.846 -0.924 1.00 0.00 C ATOM 7 SD MET A 1 2.356 3.392 -1.694 1.00 0.00 S ATOM 8 CE MET A 1 3.541 2.749 -2.907 1.00 0.00 C ATOM 0 H1 MET A 1 2.135 -0.857 2.188 1.00 0.00 H new ATOM 0 H2 MET A 1 3.297 -1.790 1.373 1.00 0.00 H new ATOM 0 H3 MET A 1 3.640 -0.179 1.787 1.00 0.00 H new ATOM 0 HA MET A 1 1.259 -0.294 0.245 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.154 1.552 0.726 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.752 0.945 -0.805 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.359 1.216 -1.700 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.997 2.084 -0.221 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.535 3.383 -3.793 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.540 2.744 -2.472 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.261 1.733 -3.186 1.00 0.00 H new ATOM 20 N LEU A 2 2.073 -1.323 -2.122 1.00 0.00 N ATOM 21 CA LEU A 2 2.068 -2.386 -3.135 1.00 0.00 C ATOM 22 C LEU A 2 2.626 -1.880 -4.473 1.00 0.00 C ATOM 23 O LEU A 2 2.952 -0.702 -4.633 1.00 0.00 O ATOM 24 CB LEU A 2 0.627 -2.925 -3.312 1.00 0.00 C ATOM 25 CG LEU A 2 0.320 -4.244 -2.580 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.277 -4.091 -1.056 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.027 -4.790 -3.065 1.00 0.00 C ATOM 0 H LEU A 2 1.596 -0.475 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 2 2.715 -3.195 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.072 -2.165 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.439 -3.068 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 2 1.132 -4.933 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.056 -5.056 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.243 -3.733 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.499 -3.375 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.248 -5.724 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.812 -4.064 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.981 -4.971 -4.139 1.00 0.00 H new ATOM 39 N GLN A 3 2.724 -2.788 -5.443 1.00 0.00 N ATOM 40 CA GLN A 3 3.109 -2.566 -6.825 1.00 0.00 C ATOM 41 C GLN A 3 2.395 -3.622 -7.673 1.00 0.00 C ATOM 42 O GLN A 3 2.238 -4.759 -7.217 1.00 0.00 O ATOM 43 CB GLN A 3 4.650 -2.652 -6.903 1.00 0.00 C ATOM 44 CG GLN A 3 5.290 -2.630 -8.304 1.00 0.00 C ATOM 45 CD GLN A 3 5.768 -4.013 -8.766 1.00 0.00 C ATOM 46 OE1 GLN A 3 5.008 -4.976 -8.811 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.037 -4.154 -9.108 1.00 0.00 N ATOM 0 H GLN A 3 2.519 -3.771 -5.263 1.00 0.00 H new ATOM 0 HA GLN A 3 2.819 -1.586 -7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.063 -1.822 -6.331 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.962 -3.570 -6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.567 -2.243 -9.022 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.135 -1.942 -8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.667 -3.353 -9.070 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.386 -5.064 -9.410 1.00 0.00 H new ATOM 56 N TYR A 4 1.972 -3.252 -8.887 1.00 0.00 N ATOM 57 CA TYR A 4 1.497 -4.210 -9.882 1.00 0.00 C ATOM 58 C TYR A 4 2.575 -4.428 -10.937 1.00 0.00 C ATOM 59 O TYR A 4 3.404 -3.551 -11.194 1.00 0.00 O ATOM 60 CB TYR A 4 0.141 -3.814 -10.522 1.00 0.00 C ATOM 61 CG TYR A 4 0.016 -2.501 -11.300 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.868 -2.171 -12.378 1.00 0.00 C ATOM 63 CD2 TYR A 4 -1.046 -1.625 -10.997 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.761 -0.930 -13.028 1.00 0.00 C ATOM 65 CE2 TYR A 4 -1.159 -0.380 -11.637 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.232 -0.008 -12.632 1.00 0.00 C ATOM 67 OH TYR A 4 -0.305 1.228 -13.199 1.00 0.00 O ATOM 0 H TYR A 4 1.951 -2.282 -9.203 1.00 0.00 H new ATOM 0 HA TYR A 4 1.304 -5.149 -9.364 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.146 -4.620 -11.198 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.600 -3.789 -9.723 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.611 -2.882 -12.707 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.783 -1.915 -10.263 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.439 -0.681 -13.831 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.958 0.294 -11.366 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.049 1.252 -13.837 1.00 0.00 H new ATOM 77 N ARG A 5 2.457 -5.554 -11.639 1.00 0.00 N ATOM 78 CA ARG A 5 2.947 -5.701 -13.010 1.00 0.00 C ATOM 79 C ARG A 5 1.717 -6.021 -13.846 1.00 0.00 C ATOM 80 O ARG A 5 0.865 -6.773 -13.373 1.00 0.00 O ATOM 81 CB ARG A 5 3.959 -6.851 -13.152 1.00 0.00 C ATOM 82 CG ARG A 5 5.066 -6.911 -12.084 1.00 0.00 C ATOM 83 CD ARG A 5 6.084 -8.022 -12.393 1.00 0.00 C ATOM 84 NE ARG A 5 5.440 -9.344 -12.535 1.00 0.00 N ATOM 85 CZ ARG A 5 6.037 -10.511 -12.796 1.00 0.00 C ATOM 86 NH1 ARG A 5 7.359 -10.595 -12.925 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.273 -11.590 -12.925 1.00 0.00 N ATOM 0 H ARG A 5 2.016 -6.396 -11.270 1.00 0.00 H new ATOM 0 HA ARG A 5 3.462 -4.792 -13.323 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.412 -7.794 -13.134 1.00 0.00 H new ATOM 0 HB3 ARG A 5 4.431 -6.775 -14.132 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.578 -5.950 -12.034 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.620 -7.086 -11.105 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.617 -7.779 -13.312 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.826 -8.065 -11.596 1.00 0.00 H new ATOM 0 HE ARG A 5 4.427 -9.369 -12.421 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.935 -9.759 -12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.796 -11.495 -13.124 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.261 -11.513 -12.825 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.699 -12.495 -13.124 1.00 0.00 H new ATOM 101 N ILE A 6 1.603 -5.493 -15.058 1.00 0.00 N ATOM 102 CA ILE A 6 0.455 -5.704 -15.931 1.00 0.00 C ATOM 103 C ILE A 6 1.008 -5.861 -17.344 1.00 0.00 C ATOM 104 O ILE A 6 1.913 -5.122 -17.738 1.00 0.00 O ATOM 105 CB ILE A 6 -0.532 -4.512 -15.813 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.156 -4.440 -14.402 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.647 -4.579 -16.874 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.990 -3.188 -14.143 1.00 0.00 C ATOM 0 H ILE A 6 2.319 -4.895 -15.470 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.110 -6.594 -15.655 1.00 0.00 H new ATOM 0 HB ILE A 6 0.050 -3.607 -15.989 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.784 -5.318 -14.251 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.357 -4.489 -13.662 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.315 -3.726 -16.755 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.204 -4.556 -17.870 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.213 -5.502 -16.750 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.390 -3.220 -13.129 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.364 -2.303 -14.258 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.813 -3.145 -14.856 1.00 0.00 H new ATOM 120 N ILE A 7 0.431 -6.775 -18.122 1.00 0.00 N ATOM 121 CA ILE A 7 0.637 -6.877 -19.561 1.00 0.00 C ATOM 122 C ILE A 7 -0.756 -6.924 -20.188 1.00 0.00 C ATOM 123 O ILE A 7 -1.651 -7.583 -19.650 1.00 0.00 O ATOM 124 CB ILE A 7 1.494 -8.101 -19.998 1.00 0.00 C ATOM 125 CG1 ILE A 7 2.024 -9.049 -18.892 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.632 -7.626 -20.912 1.00 0.00 C ATOM 127 CD1 ILE A 7 3.262 -8.570 -18.120 1.00 0.00 C ATOM 0 H ILE A 7 -0.208 -7.482 -17.758 1.00 0.00 H new ATOM 0 HA ILE A 7 1.215 -6.018 -19.902 1.00 0.00 H new ATOM 0 HB ILE A 7 0.788 -8.742 -20.526 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.220 -9.222 -18.176 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.257 -10.011 -19.349 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.233 -8.482 -21.219 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.212 -7.142 -21.794 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.260 -6.916 -20.373 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.537 -9.316 -17.375 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.091 -8.427 -18.814 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.038 -7.626 -17.623 1.00 0.00 H new ATOM 139 N VAL A 8 -0.942 -6.227 -21.308 1.00 0.00 N ATOM 140 CA VAL A 8 -2.236 -6.079 -21.964 1.00 0.00 C ATOM 141 C VAL A 8 -2.091 -6.192 -23.478 1.00 0.00 C ATOM 142 O VAL A 8 -1.047 -5.845 -24.041 1.00 0.00 O ATOM 143 CB VAL A 8 -2.888 -4.735 -21.576 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.486 -4.806 -20.174 1.00 0.00 C ATOM 145 CG2 VAL A 8 -1.947 -3.525 -21.655 1.00 0.00 C ATOM 0 H VAL A 8 -0.185 -5.743 -21.791 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.886 -6.886 -21.626 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.667 -4.579 -22.322 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.940 -3.847 -19.923 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.246 -5.587 -20.142 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.700 -5.035 -19.454 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.488 -2.624 -21.366 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.104 -3.675 -20.980 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.580 -3.416 -22.675 1.00 0.00 H new ATOM 155 N ASP A 9 -3.167 -6.626 -24.130 1.00 0.00 N ATOM 156 CA ASP A 9 -3.313 -6.686 -25.578 1.00 0.00 C ATOM 157 C ASP A 9 -4.737 -6.262 -25.928 1.00 0.00 C ATOM 158 O ASP A 9 -5.656 -6.482 -25.134 1.00 0.00 O ATOM 159 CB ASP A 9 -3.066 -8.113 -26.074 1.00 0.00 C ATOM 160 CG ASP A 9 -3.058 -8.152 -27.604 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.122 -7.562 -28.186 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.942 -8.791 -28.215 1.00 0.00 O ATOM 0 H ASP A 9 -3.997 -6.960 -23.639 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.589 -6.024 -26.054 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.114 -8.479 -25.690 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.841 -8.777 -25.691 1.00 0.00 H new ATOM 167 N GLY A 10 -4.923 -5.629 -27.084 1.00 0.00 N ATOM 168 CA GLY A 10 -6.176 -5.028 -27.515 1.00 0.00 C ATOM 169 C GLY A 10 -5.829 -3.815 -28.366 1.00 0.00 C ATOM 170 O GLY A 10 -4.717 -3.739 -28.904 1.00 0.00 O ATOM 0 H GLY A 10 -4.176 -5.518 -27.769 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.767 -5.742 -28.088 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.777 -4.734 -26.654 1.00 0.00 H new ATOM 174 N ARG A 11 -6.723 -2.824 -28.450 1.00 0.00 N ATOM 175 CA ARG A 11 -6.317 -1.498 -28.909 1.00 0.00 C ATOM 176 C ARG A 11 -5.581 -0.827 -27.751 1.00 0.00 C ATOM 177 O ARG A 11 -6.172 -0.032 -27.021 1.00 0.00 O ATOM 178 CB ARG A 11 -7.504 -0.674 -29.455 1.00 0.00 C ATOM 179 CG ARG A 11 -7.093 0.723 -29.974 1.00 0.00 C ATOM 180 CD ARG A 11 -5.910 0.744 -30.948 1.00 0.00 C ATOM 181 NE ARG A 11 -6.115 -0.056 -32.166 1.00 0.00 N ATOM 182 CZ ARG A 11 -5.179 -0.238 -33.110 1.00 0.00 C ATOM 183 NH1 ARG A 11 -3.975 0.322 -32.984 1.00 0.00 N ATOM 184 NH2 ARG A 11 -5.453 -0.981 -34.177 1.00 0.00 N ATOM 0 H ARG A 11 -7.711 -2.914 -28.211 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.646 -1.575 -29.764 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.980 -1.228 -30.264 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.248 -0.557 -28.667 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.954 1.176 -30.466 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.847 1.351 -29.118 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.709 1.776 -31.235 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.023 0.378 -30.432 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.024 -0.499 -32.301 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.761 0.893 -32.166 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.268 0.179 -33.705 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.373 -1.411 -34.277 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.744 -1.121 -34.896 1.00 0.00 H new ATOM 198 N VAL A 12 -4.305 -1.169 -27.581 1.00 0.00 N ATOM 199 CA VAL A 12 -3.456 -0.656 -26.509 1.00 0.00 C ATOM 200 C VAL A 12 -2.418 0.341 -27.045 1.00 0.00 C ATOM 201 O VAL A 12 -1.622 0.868 -26.269 1.00 0.00 O ATOM 202 CB VAL A 12 -2.844 -1.832 -25.706 1.00 0.00 C ATOM 203 CG1 VAL A 12 -3.943 -2.601 -24.957 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.047 -2.837 -26.557 1.00 0.00 C ATOM 0 H VAL A 12 -3.823 -1.824 -28.197 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.064 -0.084 -25.808 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.142 -1.365 -25.015 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.496 -3.423 -24.399 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.452 -1.928 -24.267 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.662 -2.998 -25.673 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.655 -3.626 -25.916 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.701 -3.274 -27.311 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.220 -2.323 -27.047 1.00 0.00 H new ATOM 214 N GLN A 13 -2.406 0.634 -28.354 1.00 0.00 N ATOM 215 CA GLN A 13 -1.495 1.595 -28.969 1.00 0.00 C ATOM 216 C GLN A 13 -2.257 2.419 -30.005 1.00 0.00 C ATOM 217 O GLN A 13 -3.103 1.889 -30.729 1.00 0.00 O ATOM 218 CB GLN A 13 -0.312 0.881 -29.652 1.00 0.00 C ATOM 219 CG GLN A 13 0.555 -0.038 -28.770 1.00 0.00 C ATOM 220 CD GLN A 13 1.555 0.717 -27.895 1.00 0.00 C ATOM 221 OE1 GLN A 13 2.755 0.686 -28.147 1.00 0.00 O ATOM 222 NE2 GLN A 13 1.110 1.383 -26.843 1.00 0.00 N ATOM 0 H GLN A 13 -3.043 0.199 -29.022 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.099 2.244 -28.188 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.706 0.286 -30.476 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.336 1.641 -30.088 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.096 -0.634 -28.131 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.098 -0.734 -29.409 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.111 1.405 -26.639 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.766 1.875 -26.236 1.00 0.00 H new ATOM 281 N ARG A 18 -1.280 5.008 -24.857 1.00 0.00 N ATOM 282 CA ARG A 18 -0.434 4.681 -23.700 1.00 0.00 C ATOM 283 C ARG A 18 -0.234 5.868 -22.752 1.00 0.00 C ATOM 284 O ARG A 18 0.130 5.656 -21.600 1.00 0.00 O ATOM 285 CB ARG A 18 0.893 4.031 -24.122 1.00 0.00 C ATOM 286 CG ARG A 18 1.901 4.947 -24.835 1.00 0.00 C ATOM 287 CD ARG A 18 3.175 4.139 -25.116 1.00 0.00 C ATOM 288 NE ARG A 18 4.247 4.963 -25.705 1.00 0.00 N ATOM 289 CZ ARG A 18 5.558 4.806 -25.478 1.00 0.00 C ATOM 290 NH1 ARG A 18 6.004 3.874 -24.640 1.00 0.00 N ATOM 291 NH2 ARG A 18 6.447 5.589 -26.071 1.00 0.00 N ATOM 0 HA ARG A 18 -0.979 3.934 -23.123 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.372 3.621 -23.233 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.669 3.191 -24.779 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.478 5.324 -25.766 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.131 5.814 -24.215 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.532 3.694 -24.187 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.939 3.318 -25.793 1.00 0.00 H new ATOM 0 HE ARG A 18 3.968 5.714 -26.337 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.344 3.264 -24.158 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.006 3.769 -24.480 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.136 6.322 -26.709 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.442 5.459 -25.890 1.00 0.00 H new ATOM 305 N TYR A 19 -0.493 7.106 -23.186 1.00 0.00 N ATOM 306 CA TYR A 19 -0.502 8.241 -22.267 1.00 0.00 C ATOM 307 C TYR A 19 -1.696 8.128 -21.317 1.00 0.00 C ATOM 308 O TYR A 19 -1.558 8.447 -20.138 1.00 0.00 O ATOM 309 CB TYR A 19 -0.527 9.572 -23.031 1.00 0.00 C ATOM 310 CG TYR A 19 -0.288 10.779 -22.147 1.00 0.00 C ATOM 311 CD1 TYR A 19 1.027 11.162 -21.820 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.379 11.515 -21.642 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.257 12.275 -20.991 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.155 12.641 -20.829 1.00 0.00 C ATOM 315 CZ TYR A 19 0.165 13.023 -20.494 1.00 0.00 C ATOM 316 OH TYR A 19 0.400 14.104 -19.698 1.00 0.00 O ATOM 0 H TYR A 19 -0.697 7.343 -24.157 1.00 0.00 H new ATOM 0 HA TYR A 19 0.416 8.222 -21.679 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.232 9.548 -23.813 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.492 9.680 -23.527 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.863 10.599 -22.207 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.389 11.214 -21.880 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.267 12.558 -20.734 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.992 13.215 -20.460 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.453 14.512 -19.440 1.00 0.00 H new ATOM 326 N PHE A 20 -2.847 7.633 -21.794 1.00 0.00 N ATOM 327 CA PHE A 20 -4.055 7.490 -20.983 1.00 0.00 C ATOM 328 C PHE A 20 -3.783 6.735 -19.684 1.00 0.00 C ATOM 329 O PHE A 20 -4.172 7.215 -18.617 1.00 0.00 O ATOM 330 CB PHE A 20 -5.185 6.818 -21.787 1.00 0.00 C ATOM 331 CG PHE A 20 -6.183 6.029 -20.945 1.00 0.00 C ATOM 332 CD1 PHE A 20 -7.109 6.699 -20.122 1.00 0.00 C ATOM 333 CD2 PHE A 20 -6.158 4.618 -20.952 1.00 0.00 C ATOM 334 CE1 PHE A 20 -8.006 5.966 -19.323 1.00 0.00 C ATOM 335 CE2 PHE A 20 -7.044 3.884 -20.139 1.00 0.00 C ATOM 336 CZ PHE A 20 -7.972 4.560 -19.328 1.00 0.00 C ATOM 0 H PHE A 20 -2.962 7.320 -22.758 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.382 8.494 -20.711 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.725 7.586 -22.341 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.740 6.147 -22.522 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.131 7.779 -20.104 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.455 4.097 -21.585 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.723 6.485 -18.704 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.010 2.805 -20.139 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.658 4.000 -18.709 1.00 0.00 H new ATOM 346 N VAL A 21 -3.094 5.592 -19.739 1.00 0.00 N ATOM 347 CA VAL A 21 -2.820 4.850 -18.522 1.00 0.00 C ATOM 348 C VAL A 21 -1.953 5.684 -17.575 1.00 0.00 C ATOM 349 O VAL A 21 -2.191 5.679 -16.373 1.00 0.00 O ATOM 350 CB VAL A 21 -2.247 3.457 -18.826 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.334 2.571 -19.459 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.998 3.415 -19.712 1.00 0.00 C ATOM 0 H VAL A 21 -2.727 5.174 -20.594 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.758 4.663 -18.000 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.923 3.085 -17.854 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.921 1.585 -19.672 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.171 2.472 -18.768 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.681 3.027 -20.386 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.688 2.380 -19.855 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.223 3.864 -20.680 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.193 3.972 -19.232 1.00 0.00 H new ATOM 362 N GLN A 22 -1.024 6.492 -18.083 1.00 0.00 N ATOM 363 CA GLN A 22 -0.209 7.324 -17.213 1.00 0.00 C ATOM 364 C GLN A 22 -0.991 8.529 -16.670 1.00 0.00 C ATOM 365 O GLN A 22 -0.673 9.001 -15.578 1.00 0.00 O ATOM 366 CB GLN A 22 1.103 7.688 -17.914 1.00 0.00 C ATOM 367 CG GLN A 22 1.900 6.468 -18.427 1.00 0.00 C ATOM 368 CD GLN A 22 2.200 5.378 -17.381 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.311 4.747 -16.821 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.462 5.101 -17.102 1.00 0.00 N ATOM 0 H GLN A 22 -0.822 6.585 -19.078 1.00 0.00 H new ATOM 0 HA GLN A 22 0.061 6.754 -16.324 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.883 8.346 -18.755 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.728 8.253 -17.222 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.346 6.014 -19.249 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.846 6.822 -18.838 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.211 5.619 -17.561 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.686 4.369 -16.428 1.00 0.00 H new ATOM 379 N MET A 23 -2.060 8.974 -17.346 1.00 0.00 N ATOM 380 CA MET A 23 -3.004 9.924 -16.752 1.00 0.00 C ATOM 381 C MET A 23 -3.698 9.271 -15.559 1.00 0.00 C ATOM 382 O MET A 23 -3.736 9.857 -14.482 1.00 0.00 O ATOM 383 CB MET A 23 -4.106 10.389 -17.714 1.00 0.00 C ATOM 384 CG MET A 23 -3.634 11.052 -19.004 1.00 0.00 C ATOM 385 SD MET A 23 -4.962 11.934 -19.884 1.00 0.00 S ATOM 386 CE MET A 23 -6.145 10.599 -20.248 1.00 0.00 C ATOM 0 H MET A 23 -2.289 8.692 -18.299 1.00 0.00 H new ATOM 0 HA MET A 23 -2.410 10.793 -16.470 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.719 9.527 -17.976 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.751 11.090 -17.184 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.832 11.753 -18.772 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.213 10.292 -19.662 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.160 10.953 -20.067 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.046 10.300 -21.291 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.938 9.744 -19.604 1.00 0.00 H new ATOM 396 N GLU A 24 -4.241 8.063 -15.740 1.00 0.00 N ATOM 397 CA GLU A 24 -4.942 7.336 -14.689 1.00 0.00 C ATOM 398 C GLU A 24 -3.989 7.050 -13.528 1.00 0.00 C ATOM 399 O GLU A 24 -4.384 7.189 -12.373 1.00 0.00 O ATOM 400 CB GLU A 24 -5.503 6.028 -15.276 1.00 0.00 C ATOM 401 CG GLU A 24 -6.729 6.254 -16.175 1.00 0.00 C ATOM 402 CD GLU A 24 -7.966 6.662 -15.364 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.198 6.091 -14.274 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.688 7.595 -15.778 1.00 0.00 O ATOM 0 H GLU A 24 -4.204 7.563 -16.628 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.767 7.936 -14.306 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.723 5.530 -15.852 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.775 5.357 -14.461 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.504 7.029 -16.908 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.944 5.342 -16.731 1.00 0.00 H new ATOM 411 N ALA A 25 -2.733 6.709 -13.828 1.00 0.00 N ATOM 412 CA ALA A 25 -1.690 6.491 -12.844 1.00 0.00 C ATOM 413 C ALA A 25 -1.502 7.748 -12.002 1.00 0.00 C ATOM 414 O ALA A 25 -1.605 7.690 -10.779 1.00 0.00 O ATOM 415 CB ALA A 25 -0.380 6.109 -13.551 1.00 0.00 C ATOM 0 H ALA A 25 -2.414 6.576 -14.788 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.979 5.673 -12.184 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.401 5.946 -12.808 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.530 5.195 -14.126 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.080 6.914 -14.222 1.00 0.00 H new ATOM 421 N ASP A 26 -1.279 8.889 -12.653 1.00 0.00 N ATOM 422 CA ASP A 26 -1.037 10.167 -11.973 1.00 0.00 C ATOM 423 C ASP A 26 -2.237 10.564 -11.118 1.00 0.00 C ATOM 424 O ASP A 26 -2.098 10.906 -9.944 1.00 0.00 O ATOM 425 CB ASP A 26 -0.761 11.278 -12.989 1.00 0.00 C ATOM 426 CG ASP A 26 -0.598 12.632 -12.279 1.00 0.00 C ATOM 427 OD1 ASP A 26 0.456 12.864 -11.648 1.00 0.00 O ATOM 428 OD2 ASP A 26 -1.515 13.478 -12.365 1.00 0.00 O ATOM 0 H ASP A 26 -1.260 8.956 -13.671 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.165 10.037 -11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.142 11.046 -13.553 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.580 11.334 -13.707 1.00 0.00 H new ATOM 433 N LYS A 27 -3.434 10.439 -11.694 1.00 0.00 N ATOM 434 CA LYS A 27 -4.714 10.705 -11.052 1.00 0.00 C ATOM 435 C LYS A 27 -4.927 9.824 -9.814 1.00 0.00 C ATOM 436 O LYS A 27 -5.655 10.220 -8.905 1.00 0.00 O ATOM 437 CB LYS A 27 -5.784 10.527 -12.143 1.00 0.00 C ATOM 438 CG LYS A 27 -7.238 10.792 -11.731 1.00 0.00 C ATOM 439 CD LYS A 27 -8.014 9.525 -11.335 1.00 0.00 C ATOM 440 CE LYS A 27 -8.266 8.581 -12.517 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.164 9.155 -13.552 1.00 0.00 N ATOM 0 H LYS A 27 -3.538 10.136 -12.663 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.766 11.718 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.539 11.191 -12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.718 9.507 -12.521 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.247 11.488 -10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.756 11.280 -12.556 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.458 8.992 -10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.970 9.813 -10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.312 8.325 -12.977 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.700 7.653 -12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.265 8.480 -14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.098 9.344 -13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.758 10.044 -13.909 1.00 0.00 H new ATOM 455 N ARG A 28 -4.273 8.660 -9.747 1.00 0.00 N ATOM 456 CA ARG A 28 -4.364 7.702 -8.643 1.00 0.00 C ATOM 457 C ARG A 28 -3.068 7.689 -7.818 1.00 0.00 C ATOM 458 O ARG A 28 -2.881 6.794 -6.996 1.00 0.00 O ATOM 459 CB ARG A 28 -4.732 6.321 -9.228 1.00 0.00 C ATOM 460 CG ARG A 28 -6.158 6.314 -9.806 1.00 0.00 C ATOM 461 CD ARG A 28 -6.426 5.108 -10.709 1.00 0.00 C ATOM 462 NE ARG A 28 -7.618 5.281 -11.565 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.906 5.307 -11.208 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.279 5.268 -9.932 1.00 0.00 N ATOM 465 NH2 ARG A 28 -9.811 5.414 -12.170 1.00 0.00 N ATOM 0 H ARG A 28 -3.644 8.349 -10.487 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.148 7.994 -7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.020 6.055 -10.010 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.650 5.562 -8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.877 6.316 -8.987 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.319 7.230 -10.374 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.555 4.933 -11.340 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.555 4.220 -10.091 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.433 5.396 -12.562 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.575 5.217 -9.196 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.269 5.289 -9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.515 5.473 -13.144 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.804 5.437 -11.936 1.00 0.00 H new ATOM 479 N LYS A 29 -2.180 8.678 -8.005 1.00 0.00 N ATOM 480 CA LYS A 29 -0.875 8.804 -7.340 1.00 0.00 C ATOM 481 C LYS A 29 -0.036 7.519 -7.424 1.00 0.00 C ATOM 482 O LYS A 29 0.752 7.219 -6.524 1.00 0.00 O ATOM 483 CB LYS A 29 -1.044 9.344 -5.904 1.00 0.00 C ATOM 484 CG LYS A 29 -1.761 10.705 -5.859 1.00 0.00 C ATOM 485 CD LYS A 29 -1.834 11.242 -4.424 1.00 0.00 C ATOM 486 CE LYS A 29 -2.555 12.597 -4.406 1.00 0.00 C ATOM 487 NZ LYS A 29 -2.657 13.163 -3.039 1.00 0.00 N ATOM 0 H LYS A 29 -2.361 9.445 -8.653 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.291 9.544 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.608 8.622 -5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.063 9.440 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.233 11.419 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.768 10.603 -6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.362 10.532 -3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.829 11.350 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.022 13.298 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.555 12.479 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.151 14.077 -3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.188 12.508 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.703 13.301 -2.648 1.00 0.00 H new ATOM 501 N LEU A 30 -0.200 6.756 -8.504 1.00 0.00 N ATOM 502 CA LEU A 30 0.665 5.637 -8.853 1.00 0.00 C ATOM 503 C LEU A 30 1.955 6.192 -9.464 1.00 0.00 C ATOM 504 O LEU A 30 1.967 7.321 -9.965 1.00 0.00 O ATOM 505 CB LEU A 30 -0.046 4.714 -9.860 1.00 0.00 C ATOM 506 CG LEU A 30 -1.380 4.106 -9.386 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.873 3.088 -10.414 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.257 3.418 -8.029 1.00 0.00 C ATOM 0 H LEU A 30 -0.955 6.904 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 30 0.899 5.055 -7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.230 5.278 -10.774 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.631 3.900 -10.119 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.089 4.927 -9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.817 2.659 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.021 3.583 -11.374 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.133 2.295 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.224 3.007 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.525 2.613 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.934 4.143 -7.282 1.00 0.00 H new ATOM 520 N ALA A 31 3.029 5.398 -9.479 1.00 0.00 N ATOM 521 CA ALA A 31 4.315 5.792 -10.050 1.00 0.00 C ATOM 522 C ALA A 31 5.001 4.579 -10.673 1.00 0.00 C ATOM 523 O ALA A 31 5.196 3.574 -9.990 1.00 0.00 O ATOM 524 CB ALA A 31 5.192 6.386 -8.944 1.00 0.00 C ATOM 0 H ALA A 31 3.028 4.455 -9.091 1.00 0.00 H new ATOM 0 HA ALA A 31 4.158 6.539 -10.828 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.154 6.683 -9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.698 7.258 -8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.350 5.640 -8.165 1.00 0.00 H new ATOM 530 N GLY A 32 5.362 4.656 -11.955 1.00 0.00 N ATOM 531 CA GLY A 32 5.986 3.564 -12.689 1.00 0.00 C ATOM 532 C GLY A 32 5.815 3.715 -14.197 1.00 0.00 C ATOM 533 O GLY A 32 5.313 4.739 -14.669 1.00 0.00 O ATOM 0 H GLY A 32 5.225 5.495 -12.518 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.048 3.525 -12.447 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.551 2.617 -12.368 1.00 0.00 H new ATOM 537 N TRP A 33 6.256 2.723 -14.969 1.00 0.00 N ATOM 538 CA TRP A 33 6.448 2.869 -16.405 1.00 0.00 C ATOM 539 C TRP A 33 5.297 2.291 -17.223 1.00 0.00 C ATOM 540 O TRP A 33 4.566 1.411 -16.759 1.00 0.00 O ATOM 541 CB TRP A 33 7.799 2.270 -16.837 1.00 0.00 C ATOM 542 CG TRP A 33 8.033 0.792 -16.674 1.00 0.00 C ATOM 543 CD1 TRP A 33 7.420 -0.204 -17.361 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.030 0.125 -15.838 1.00 0.00 C ATOM 545 NE1 TRP A 33 7.979 -1.422 -17.029 1.00 0.00 N ATOM 546 CE2 TRP A 33 8.996 -1.276 -16.113 1.00 0.00 C ATOM 547 CE3 TRP A 33 9.982 0.568 -14.894 1.00 0.00 C ATOM 548 CZ2 TRP A 33 9.881 -2.181 -15.506 1.00 0.00 C ATOM 549 CZ3 TRP A 33 10.860 -0.335 -14.263 1.00 0.00 C ATOM 550 CH2 TRP A 33 10.814 -1.706 -14.571 1.00 0.00 C ATOM 0 H TRP A 33 6.489 1.796 -14.613 1.00 0.00 H new ATOM 0 HA TRP A 33 6.459 3.939 -16.614 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.943 2.511 -17.890 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.580 2.789 -16.282 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.613 -0.065 -18.065 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.677 -2.317 -17.414 1.00 0.00 H new ATOM 0 HE3 TRP A 33 10.038 1.619 -14.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.844 -3.231 -15.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 11.573 0.028 -13.538 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.495 -2.392 -14.089 1.00 0.00 H new ATOM 561 N VAL A 34 5.217 2.730 -18.482 1.00 0.00 N ATOM 562 CA VAL A 34 4.553 2.000 -19.557 1.00 0.00 C ATOM 563 C VAL A 34 5.555 1.839 -20.704 1.00 0.00 C ATOM 564 O VAL A 34 6.356 2.747 -20.971 1.00 0.00 O ATOM 565 CB VAL A 34 3.228 2.688 -19.959 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.429 4.079 -20.579 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.420 1.823 -20.935 1.00 0.00 C ATOM 0 H VAL A 34 5.619 3.617 -18.784 1.00 0.00 H new ATOM 0 HA VAL A 34 4.254 1.003 -19.234 1.00 0.00 H new ATOM 0 HB VAL A 34 2.677 2.811 -19.027 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.460 4.505 -20.838 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.931 4.728 -19.861 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.039 3.992 -21.478 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.495 2.337 -21.197 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.006 1.649 -21.837 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.184 0.868 -20.465 1.00 0.00 H new ATOM 577 N LYS A 35 5.515 0.694 -21.393 1.00 0.00 N ATOM 578 CA LYS A 35 6.364 0.421 -22.551 1.00 0.00 C ATOM 579 C LYS A 35 5.625 -0.468 -23.546 1.00 0.00 C ATOM 580 O LYS A 35 4.776 -1.274 -23.158 1.00 0.00 O ATOM 581 CB LYS A 35 7.696 -0.210 -22.093 1.00 0.00 C ATOM 582 CG LYS A 35 7.586 -1.680 -21.673 1.00 0.00 C ATOM 583 CD LYS A 35 8.868 -2.182 -20.998 1.00 0.00 C ATOM 584 CE LYS A 35 8.882 -3.717 -20.996 1.00 0.00 C ATOM 585 NZ LYS A 35 9.632 -4.272 -19.845 1.00 0.00 N ATOM 0 H LYS A 35 4.886 -0.074 -21.158 1.00 0.00 H new ATOM 0 HA LYS A 35 6.599 1.357 -23.059 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.420 -0.129 -22.903 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.089 0.367 -21.256 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.746 -1.800 -20.989 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.374 -2.293 -22.549 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.742 -1.801 -21.526 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.924 -1.806 -19.976 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.857 -4.087 -20.971 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.328 -4.075 -21.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.863 -5.269 -20.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.511 -3.733 -19.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.050 -4.204 -18.986 1.00 0.00 H new ATOM 599 N ASN A 36 5.982 -0.352 -24.824 1.00 0.00 N ATOM 600 CA ASN A 36 5.594 -1.316 -25.845 1.00 0.00 C ATOM 601 C ASN A 36 6.415 -2.585 -25.602 1.00 0.00 C ATOM 602 O ASN A 36 7.645 -2.508 -25.558 1.00 0.00 O ATOM 603 CB ASN A 36 5.895 -0.730 -27.233 1.00 0.00 C ATOM 604 CG ASN A 36 5.526 -1.709 -28.340 1.00 0.00 C ATOM 605 OD1 ASN A 36 6.332 -2.541 -28.743 1.00 0.00 O ATOM 606 ND2 ASN A 36 4.312 -1.620 -28.856 1.00 0.00 N ATOM 0 H ASN A 36 6.551 0.417 -25.179 1.00 0.00 H new ATOM 0 HA ASN A 36 4.529 -1.544 -25.798 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.340 0.199 -27.366 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.954 -0.481 -27.303 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.029 -2.251 -29.605 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.659 -0.920 -28.505 1.00 0.00 H new ATOM 613 N ARG A 37 5.766 -3.737 -25.413 1.00 0.00 N ATOM 614 CA ARG A 37 6.462 -5.020 -25.353 1.00 0.00 C ATOM 615 C ARG A 37 6.698 -5.438 -26.802 1.00 0.00 C ATOM 616 O ARG A 37 5.773 -5.374 -27.611 1.00 0.00 O ATOM 617 CB ARG A 37 5.621 -6.051 -24.576 1.00 0.00 C ATOM 618 CG ARG A 37 6.492 -7.215 -24.073 1.00 0.00 C ATOM 619 CD ARG A 37 5.722 -8.204 -23.184 1.00 0.00 C ATOM 620 NE ARG A 37 4.953 -9.188 -23.966 1.00 0.00 N ATOM 621 CZ ARG A 37 4.446 -10.338 -23.504 1.00 0.00 C ATOM 622 NH1 ARG A 37 4.582 -10.677 -22.224 1.00 0.00 N ATOM 623 NH2 ARG A 37 3.802 -11.153 -24.332 1.00 0.00 N ATOM 0 H ARG A 37 4.755 -3.805 -25.299 1.00 0.00 H new ATOM 0 HA ARG A 37 7.411 -4.949 -24.821 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.136 -5.565 -23.730 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.830 -6.437 -25.219 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.903 -7.750 -24.929 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.336 -6.813 -23.513 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.425 -8.729 -22.537 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.043 -7.651 -22.535 1.00 0.00 H new ATOM 0 HE ARG A 37 4.792 -8.973 -24.950 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.077 -10.058 -21.582 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.191 -11.556 -21.885 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.696 -10.902 -25.315 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.414 -12.030 -23.985 1.00 0.00 H new ATOM 637 N ASP A 38 7.921 -5.856 -27.131 1.00 0.00 N ATOM 638 CA ASP A 38 8.367 -6.029 -28.518 1.00 0.00 C ATOM 639 C ASP A 38 7.504 -7.017 -29.314 1.00 0.00 C ATOM 640 O ASP A 38 7.353 -6.873 -30.528 1.00 0.00 O ATOM 641 CB ASP A 38 9.828 -6.489 -28.532 1.00 0.00 C ATOM 642 CG ASP A 38 10.343 -6.707 -29.966 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.579 -5.712 -30.686 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.557 -7.874 -30.366 1.00 0.00 O ATOM 0 H ASP A 38 8.635 -6.086 -26.440 1.00 0.00 H new ATOM 0 HA ASP A 38 8.265 -5.060 -29.007 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.448 -5.745 -28.032 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.923 -7.416 -27.966 1.00 0.00 H new ATOM 649 N ASP A 39 6.914 -8.004 -28.634 1.00 0.00 N ATOM 650 CA ASP A 39 6.035 -9.006 -29.240 1.00 0.00 C ATOM 651 C ASP A 39 4.675 -8.435 -29.679 1.00 0.00 C ATOM 652 O ASP A 39 3.975 -9.081 -30.464 1.00 0.00 O ATOM 653 CB ASP A 39 5.829 -10.182 -28.276 1.00 0.00 C ATOM 654 CG ASP A 39 4.677 -9.958 -27.295 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.572 -8.868 -26.693 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.864 -10.886 -27.095 1.00 0.00 O ATOM 0 H ASP A 39 7.036 -8.131 -27.629 1.00 0.00 H new ATOM 0 HA ASP A 39 6.534 -9.352 -30.145 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.637 -11.087 -28.852 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.749 -10.350 -27.715 1.00 0.00 H new ATOM 661 N GLY A 40 4.284 -7.257 -29.182 1.00 0.00 N ATOM 662 CA GLY A 40 3.087 -6.528 -29.578 1.00 0.00 C ATOM 663 C GLY A 40 2.217 -6.119 -28.386 1.00 0.00 C ATOM 664 O GLY A 40 1.329 -5.280 -28.555 1.00 0.00 O ATOM 0 H GLY A 40 4.819 -6.770 -28.463 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.378 -5.636 -30.132 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.499 -7.146 -30.256 1.00 0.00 H new ATOM 668 N ARG A 41 2.428 -6.703 -27.198 1.00 0.00 N ATOM 669 CA ARG A 41 1.694 -6.306 -25.993 1.00 0.00 C ATOM 670 C ARG A 41 2.130 -4.901 -25.561 1.00 0.00 C ATOM 671 O ARG A 41 3.084 -4.329 -26.090 1.00 0.00 O ATOM 672 CB ARG A 41 1.917 -7.335 -24.860 1.00 0.00 C ATOM 673 CG ARG A 41 0.932 -8.516 -24.785 1.00 0.00 C ATOM 674 CD ARG A 41 0.998 -9.501 -25.956 1.00 0.00 C ATOM 675 NE ARG A 41 0.349 -8.994 -27.178 1.00 0.00 N ATOM 676 CZ ARG A 41 0.748 -9.208 -28.439 1.00 0.00 C ATOM 677 NH1 ARG A 41 1.824 -9.936 -28.714 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.055 -8.656 -29.425 1.00 0.00 N ATOM 0 H ARG A 41 3.103 -7.453 -27.048 1.00 0.00 H new ATOM 0 HA ARG A 41 0.627 -6.283 -26.214 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.924 -7.740 -24.963 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.883 -6.804 -23.909 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.117 -9.063 -23.861 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.081 -8.119 -24.723 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.042 -9.727 -26.174 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.524 -10.437 -25.662 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.487 -8.424 -27.051 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.369 -10.348 -27.956 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.106 -10.083 -29.683 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.762 -8.083 -29.215 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.339 -8.804 -30.393 1.00 0.00 H new ATOM 692 N VAL A 42 1.489 -4.372 -24.528 1.00 0.00 N ATOM 693 CA VAL A 42 1.994 -3.250 -23.750 1.00 0.00 C ATOM 694 C VAL A 42 2.178 -3.778 -22.332 1.00 0.00 C ATOM 695 O VAL A 42 1.388 -4.606 -21.876 1.00 0.00 O ATOM 696 CB VAL A 42 1.008 -2.072 -23.861 1.00 0.00 C ATOM 697 CG1 VAL A 42 1.231 -0.978 -22.807 1.00 0.00 C ATOM 698 CG2 VAL A 42 1.102 -1.452 -25.257 1.00 0.00 C ATOM 0 H VAL A 42 0.587 -4.717 -24.201 1.00 0.00 H new ATOM 0 HA VAL A 42 2.948 -2.862 -24.107 1.00 0.00 H new ATOM 0 HB VAL A 42 0.016 -2.485 -23.681 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.500 -0.182 -22.948 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.116 -1.404 -21.810 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.236 -0.570 -22.913 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.403 -0.619 -25.333 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.116 -1.092 -25.427 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.853 -2.203 -26.006 1.00 0.00 H new ATOM 708 N GLU A 43 3.206 -3.295 -21.639 1.00 0.00 N ATOM 709 CA GLU A 43 3.463 -3.606 -20.242 1.00 0.00 C ATOM 710 C GLU A 43 3.355 -2.301 -19.463 1.00 0.00 C ATOM 711 O GLU A 43 3.774 -1.244 -19.947 1.00 0.00 O ATOM 712 CB GLU A 43 4.860 -4.230 -20.097 1.00 0.00 C ATOM 713 CG GLU A 43 5.207 -4.630 -18.653 1.00 0.00 C ATOM 714 CD GLU A 43 6.705 -4.922 -18.490 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.139 -6.071 -18.730 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.464 -3.986 -18.141 1.00 0.00 O ATOM 0 H GLU A 43 3.896 -2.663 -22.045 1.00 0.00 H new ATOM 0 HA GLU A 43 2.744 -4.328 -19.856 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.923 -5.112 -20.735 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.605 -3.521 -20.458 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.916 -3.829 -17.973 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.631 -5.512 -18.371 1.00 0.00 H new ATOM 723 N ILE A 44 2.811 -2.391 -18.252 1.00 0.00 N ATOM 724 CA ILE A 44 2.591 -1.293 -17.341 1.00 0.00 C ATOM 725 C ILE A 44 3.050 -1.824 -15.980 1.00 0.00 C ATOM 726 O ILE A 44 2.703 -2.950 -15.615 1.00 0.00 O ATOM 727 CB ILE A 44 1.093 -0.903 -17.313 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.334 -1.112 -18.652 1.00 0.00 C ATOM 729 CG2 ILE A 44 0.987 0.549 -16.815 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.157 -0.766 -18.581 1.00 0.00 C ATOM 0 H ILE A 44 2.499 -3.283 -17.868 1.00 0.00 H new ATOM 0 HA ILE A 44 3.133 -0.393 -17.631 1.00 0.00 H new ATOM 0 HB ILE A 44 0.590 -1.587 -16.630 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.803 -0.501 -19.423 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.441 -2.152 -18.961 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.061 0.848 -16.786 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.413 0.622 -15.814 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.534 1.206 -17.491 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.617 -0.938 -19.554 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.641 -1.395 -17.834 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.275 0.282 -18.304 1.00 0.00 H new ATOM 742 N LEU A 45 3.836 -1.061 -15.225 1.00 0.00 N ATOM 743 CA LEU A 45 4.395 -1.541 -13.961 1.00 0.00 C ATOM 744 C LEU A 45 4.575 -0.341 -13.049 1.00 0.00 C ATOM 745 O LEU A 45 5.336 0.554 -13.411 1.00 0.00 O ATOM 746 CB LEU A 45 5.717 -2.269 -14.265 1.00 0.00 C ATOM 747 CG LEU A 45 6.382 -2.935 -13.047 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.288 -4.074 -13.526 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.222 -1.957 -12.218 1.00 0.00 C ATOM 0 H LEU A 45 4.101 -0.106 -15.466 1.00 0.00 H new ATOM 0 HA LEU A 45 3.741 -2.251 -13.455 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.530 -3.031 -15.021 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.417 -1.555 -14.698 1.00 0.00 H new ATOM 0 HG LEU A 45 5.580 -3.306 -12.409 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.761 -4.549 -12.666 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.692 -4.811 -14.065 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.056 -3.674 -14.188 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.666 -2.484 -11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.013 -1.538 -12.840 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.586 -1.152 -11.850 1.00 0.00 H new ATOM 761 N ALA A 46 3.879 -0.296 -11.906 1.00 0.00 N ATOM 762 CA ALA A 46 3.873 0.865 -11.022 1.00 0.00 C ATOM 763 C ALA A 46 3.585 0.489 -9.573 1.00 0.00 C ATOM 764 O ALA A 46 2.852 -0.466 -9.309 1.00 0.00 O ATOM 765 CB ALA A 46 2.811 1.867 -11.497 1.00 0.00 C ATOM 0 H ALA A 46 3.304 -1.069 -11.572 1.00 0.00 H new ATOM 0 HA ALA A 46 4.868 1.308 -11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.807 2.734 -10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.041 2.187 -12.513 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.830 1.393 -11.479 1.00 0.00 H new ATOM 771 N GLU A 47 4.139 1.273 -8.645 1.00 0.00 N ATOM 772 CA GLU A 47 3.849 1.202 -7.218 1.00 0.00 C ATOM 773 C GLU A 47 2.651 2.096 -6.872 1.00 0.00 C ATOM 774 O GLU A 47 2.365 3.061 -7.588 1.00 0.00 O ATOM 775 CB GLU A 47 5.093 1.551 -6.384 1.00 0.00 C ATOM 776 CG GLU A 47 5.568 3.008 -6.485 1.00 0.00 C ATOM 777 CD GLU A 47 6.782 3.254 -5.576 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.896 2.828 -5.955 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.618 3.846 -4.484 1.00 0.00 O ATOM 0 H GLU A 47 4.821 1.995 -8.877 1.00 0.00 H new ATOM 0 HA GLU A 47 3.578 0.177 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.883 1.327 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.910 0.898 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.829 3.239 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.757 3.679 -6.204 1.00 0.00 H new ATOM 786 N GLY A 48 1.979 1.800 -5.755 1.00 0.00 N ATOM 787 CA GLY A 48 0.913 2.613 -5.183 1.00 0.00 C ATOM 788 C GLY A 48 0.138 1.849 -4.107 1.00 0.00 C ATOM 789 O GLY A 48 0.435 0.680 -3.851 1.00 0.00 O ATOM 0 H GLY A 48 2.172 0.960 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.337 3.520 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.229 2.925 -5.972 1.00 0.00 H new ATOM 793 N PRO A 49 -0.838 2.487 -3.438 1.00 0.00 N ATOM 794 CA PRO A 49 -1.703 1.804 -2.488 1.00 0.00 C ATOM 795 C PRO A 49 -2.656 0.853 -3.222 1.00 0.00 C ATOM 796 O PRO A 49 -2.990 1.069 -4.388 1.00 0.00 O ATOM 797 CB PRO A 49 -2.425 2.914 -1.720 1.00 0.00 C ATOM 798 CG PRO A 49 -2.444 4.090 -2.695 1.00 0.00 C ATOM 799 CD PRO A 49 -1.190 3.894 -3.553 1.00 0.00 C ATOM 0 HA PRO A 49 -1.153 1.170 -1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.434 2.613 -1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.900 3.168 -0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.347 4.086 -3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.420 5.044 -2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.382 4.164 -4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.376 4.529 -3.204 1.00 0.00 H new ATOM 807 N GLU A 50 -3.112 -0.196 -2.531 1.00 0.00 N ATOM 808 CA GLU A 50 -3.860 -1.296 -3.136 1.00 0.00 C ATOM 809 C GLU A 50 -5.092 -0.789 -3.889 1.00 0.00 C ATOM 810 O GLU A 50 -5.288 -1.150 -5.048 1.00 0.00 O ATOM 811 CB GLU A 50 -4.236 -2.311 -2.042 1.00 0.00 C ATOM 812 CG GLU A 50 -4.947 -3.552 -2.602 1.00 0.00 C ATOM 813 CD GLU A 50 -5.294 -4.555 -1.485 1.00 0.00 C ATOM 814 OE1 GLU A 50 -6.349 -4.397 -0.827 1.00 0.00 O ATOM 815 OE2 GLU A 50 -4.532 -5.522 -1.264 1.00 0.00 O ATOM 0 H GLU A 50 -2.970 -0.304 -1.527 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.232 -1.792 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.334 -2.621 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.882 -1.827 -1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.859 -3.249 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.309 -4.036 -3.342 1.00 0.00 H new ATOM 822 N ASN A 51 -5.897 0.080 -3.267 1.00 0.00 N ATOM 823 CA ASN A 51 -7.136 0.560 -3.880 1.00 0.00 C ATOM 824 C ASN A 51 -6.865 1.370 -5.148 1.00 0.00 C ATOM 825 O ASN A 51 -7.602 1.238 -6.124 1.00 0.00 O ATOM 826 CB ASN A 51 -7.938 1.409 -2.883 1.00 0.00 C ATOM 827 CG ASN A 51 -9.229 1.909 -3.528 1.00 0.00 C ATOM 828 OD1 ASN A 51 -10.146 1.134 -3.781 1.00 0.00 O ATOM 829 ND2 ASN A 51 -9.335 3.199 -3.810 1.00 0.00 N ATOM 0 H ASN A 51 -5.711 0.464 -2.340 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.720 -0.318 -4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.172 0.818 -1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.338 2.256 -2.551 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.186 3.558 -4.242 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.566 3.833 -3.595 1.00 0.00 H new ATOM 836 N ALA A 52 -5.804 2.183 -5.156 1.00 0.00 N ATOM 837 CA ALA A 52 -5.396 2.947 -6.330 1.00 0.00 C ATOM 838 C ALA A 52 -4.994 1.993 -7.456 1.00 0.00 C ATOM 839 O ALA A 52 -5.427 2.172 -8.595 1.00 0.00 O ATOM 840 CB ALA A 52 -4.221 3.855 -5.955 1.00 0.00 C ATOM 0 H ALA A 52 -5.205 2.327 -4.343 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.227 3.561 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.911 4.429 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.527 4.538 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.387 3.246 -5.607 1.00 0.00 H new ATOM 846 N LEU A 53 -4.199 0.968 -7.131 1.00 0.00 N ATOM 847 CA LEU A 53 -3.734 -0.025 -8.093 1.00 0.00 C ATOM 848 C LEU A 53 -4.926 -0.773 -8.690 1.00 0.00 C ATOM 849 O LEU A 53 -5.027 -0.891 -9.909 1.00 0.00 O ATOM 850 CB LEU A 53 -2.741 -0.997 -7.422 1.00 0.00 C ATOM 851 CG LEU A 53 -1.392 -0.371 -7.015 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.656 -1.336 -6.089 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.463 -0.072 -8.193 1.00 0.00 C ATOM 0 H LEU A 53 -3.860 0.807 -6.183 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.210 0.480 -8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.212 -1.418 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.549 -1.825 -8.104 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.633 0.577 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.300 -0.901 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.259 -1.519 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.482 -2.278 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.464 0.366 -7.823 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.240 -0.997 -8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.950 0.628 -8.872 1.00 0.00 H new ATOM 865 N GLN A 54 -5.860 -1.238 -7.859 1.00 0.00 N ATOM 866 CA GLN A 54 -7.019 -1.984 -8.334 1.00 0.00 C ATOM 867 C GLN A 54 -7.956 -1.101 -9.158 1.00 0.00 C ATOM 868 O GLN A 54 -8.448 -1.536 -10.197 1.00 0.00 O ATOM 869 CB GLN A 54 -7.781 -2.665 -7.180 1.00 0.00 C ATOM 870 CG GLN A 54 -6.984 -3.727 -6.398 1.00 0.00 C ATOM 871 CD GLN A 54 -6.065 -4.578 -7.277 1.00 0.00 C ATOM 872 OE1 GLN A 54 -6.518 -5.410 -8.061 1.00 0.00 O ATOM 873 NE2 GLN A 54 -4.762 -4.365 -7.186 1.00 0.00 N ATOM 0 H GLN A 54 -5.833 -1.108 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.639 -2.771 -8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.112 -1.896 -6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.678 -3.134 -7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.384 -3.230 -5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.682 -4.382 -5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.403 -3.671 -6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.116 -4.895 -7.772 1.00 0.00 H new ATOM 882 N SER A 55 -8.178 0.144 -8.745 1.00 0.00 N ATOM 883 CA SER A 55 -9.048 1.054 -9.485 1.00 0.00 C ATOM 884 C SER A 55 -8.429 1.412 -10.842 1.00 0.00 C ATOM 885 O SER A 55 -9.143 1.513 -11.839 1.00 0.00 O ATOM 886 CB SER A 55 -9.341 2.304 -8.654 1.00 0.00 C ATOM 887 OG SER A 55 -9.849 1.973 -7.376 1.00 0.00 O ATOM 0 H SER A 55 -7.768 0.546 -7.902 1.00 0.00 H new ATOM 0 HA SER A 55 -9.996 0.552 -9.679 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.428 2.890 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.060 2.931 -9.181 1.00 0.00 H new ATOM 0 HG SER A 55 -9.112 1.693 -6.794 1.00 0.00 H new ATOM 893 N PHE A 56 -7.098 1.543 -10.912 1.00 0.00 N ATOM 894 CA PHE A 56 -6.379 1.647 -12.169 1.00 0.00 C ATOM 895 C PHE A 56 -6.632 0.398 -13.022 1.00 0.00 C ATOM 896 O PHE A 56 -6.957 0.546 -14.196 1.00 0.00 O ATOM 897 CB PHE A 56 -4.883 1.881 -11.904 1.00 0.00 C ATOM 898 CG PHE A 56 -4.034 1.750 -13.148 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.641 0.466 -13.577 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.703 2.882 -13.917 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.978 0.302 -14.800 1.00 0.00 C ATOM 902 CE2 PHE A 56 -3.051 2.702 -15.145 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.701 1.421 -15.595 1.00 0.00 C ATOM 0 H PHE A 56 -6.496 1.579 -10.090 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.745 2.505 -12.733 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.746 2.876 -11.481 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.536 1.167 -11.157 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.852 -0.395 -12.960 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.948 3.874 -13.566 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.682 -0.683 -15.128 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.815 3.563 -15.753 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.219 1.298 -16.553 1.00 0.00 H new ATOM 913 N VAL A 57 -6.533 -0.818 -12.471 1.00 0.00 N ATOM 914 CA VAL A 57 -6.795 -2.037 -13.239 1.00 0.00 C ATOM 915 C VAL A 57 -8.216 -1.984 -13.818 1.00 0.00 C ATOM 916 O VAL A 57 -8.391 -2.283 -14.998 1.00 0.00 O ATOM 917 CB VAL A 57 -6.527 -3.300 -12.384 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.994 -4.596 -13.063 1.00 0.00 C ATOM 919 CG2 VAL A 57 -5.029 -3.465 -12.087 1.00 0.00 C ATOM 0 H VAL A 57 -6.274 -0.982 -11.498 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.105 -2.099 -14.081 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.097 -3.145 -11.468 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.778 -5.445 -12.414 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.067 -4.544 -13.248 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.468 -4.720 -14.010 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.874 -4.360 -11.485 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.480 -3.558 -13.024 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.668 -2.594 -11.540 1.00 0.00 H new ATOM 929 N GLU A 58 -9.220 -1.544 -13.049 1.00 0.00 N ATOM 930 CA GLU A 58 -10.578 -1.389 -13.563 1.00 0.00 C ATOM 931 C GLU A 58 -10.627 -0.374 -14.709 1.00 0.00 C ATOM 932 O GLU A 58 -11.288 -0.623 -15.716 1.00 0.00 O ATOM 933 CB GLU A 58 -11.560 -0.998 -12.448 1.00 0.00 C ATOM 934 CG GLU A 58 -11.741 -2.118 -11.417 1.00 0.00 C ATOM 935 CD GLU A 58 -12.848 -1.781 -10.403 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.573 -1.103 -9.387 1.00 0.00 O ATOM 937 OE2 GLU A 58 -14.009 -2.208 -10.602 1.00 0.00 O ATOM 0 H GLU A 58 -9.112 -1.290 -12.067 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.887 -2.357 -13.956 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.199 -0.100 -11.947 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.527 -0.751 -12.887 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.987 -3.048 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.802 -2.283 -10.889 1.00 0.00 H new ATOM 944 N ALA A 59 -9.897 0.737 -14.590 1.00 0.00 N ATOM 945 CA ALA A 59 -9.788 1.752 -15.635 1.00 0.00 C ATOM 946 C ALA A 59 -9.208 1.165 -16.930 1.00 0.00 C ATOM 947 O ALA A 59 -9.710 1.476 -18.013 1.00 0.00 O ATOM 948 CB ALA A 59 -8.957 2.936 -15.120 1.00 0.00 C ATOM 0 H ALA A 59 -9.358 0.958 -13.753 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.787 2.114 -15.880 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.877 3.692 -15.901 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.443 3.368 -14.245 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.960 2.590 -14.847 1.00 0.00 H new ATOM 954 N VAL A 60 -8.197 0.292 -16.841 1.00 0.00 N ATOM 955 CA VAL A 60 -7.660 -0.408 -18.007 1.00 0.00 C ATOM 956 C VAL A 60 -8.736 -1.349 -18.565 1.00 0.00 C ATOM 957 O VAL A 60 -9.097 -1.241 -19.739 1.00 0.00 O ATOM 958 CB VAL A 60 -6.356 -1.168 -17.659 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.748 -1.826 -18.900 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.271 -0.245 -17.084 1.00 0.00 C ATOM 0 H VAL A 60 -7.733 0.054 -15.964 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.396 0.320 -18.774 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.650 -1.911 -16.917 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.834 -2.351 -18.622 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.460 -2.535 -19.322 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.516 -1.061 -19.641 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.379 -0.829 -16.858 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.025 0.526 -17.814 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.639 0.224 -16.171 1.00 0.00 H new ATOM 970 N LYS A 61 -9.279 -2.251 -17.734 1.00 0.00 N ATOM 971 CA LYS A 61 -10.202 -3.298 -18.179 1.00 0.00 C ATOM 972 C LYS A 61 -11.448 -2.711 -18.836 1.00 0.00 C ATOM 973 O LYS A 61 -11.935 -3.268 -19.821 1.00 0.00 O ATOM 974 CB LYS A 61 -10.608 -4.203 -17.003 1.00 0.00 C ATOM 975 CG LYS A 61 -9.451 -5.088 -16.521 1.00 0.00 C ATOM 976 CD LYS A 61 -9.802 -5.928 -15.283 1.00 0.00 C ATOM 977 CE LYS A 61 -10.898 -6.966 -15.572 1.00 0.00 C ATOM 978 NZ LYS A 61 -11.200 -7.811 -14.388 1.00 0.00 N ATOM 0 H LYS A 61 -9.088 -2.272 -16.732 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.676 -3.895 -18.924 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.958 -3.585 -16.176 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.444 -4.834 -17.305 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.151 -5.754 -17.330 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.592 -4.458 -16.292 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.907 -6.438 -14.927 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.133 -5.268 -14.481 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.806 -6.454 -15.891 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.584 -7.602 -16.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.944 -8.495 -14.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.342 -8.321 -14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.526 -7.208 -13.605 1.00 0.00 H new ATOM 992 N ASN A 62 -11.958 -1.593 -18.313 1.00 0.00 N ATOM 993 CA ASN A 62 -13.142 -0.930 -18.847 1.00 0.00 C ATOM 994 C ASN A 62 -12.899 -0.342 -20.241 1.00 0.00 C ATOM 995 O ASN A 62 -13.859 -0.158 -20.990 1.00 0.00 O ATOM 996 CB ASN A 62 -13.600 0.176 -17.886 1.00 0.00 C ATOM 997 CG ASN A 62 -14.914 0.801 -18.351 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.944 0.133 -18.414 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.918 2.082 -18.673 1.00 0.00 N ATOM 0 H ASN A 62 -11.556 -1.123 -17.502 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.923 -1.685 -18.943 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.725 -0.237 -16.885 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.831 0.946 -17.820 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.783 2.528 -18.978 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.056 2.625 -18.616 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.643 -0.051 -20.606 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.310 0.602 -21.867 1.00 0.00 C ATOM 1008 C GLY A 63 -12.041 1.939 -22.017 1.00 0.00 C ATOM 1009 O GLY A 63 -12.623 2.214 -23.068 1.00 0.00 O ATOM 0 H GLY A 63 -10.830 -0.265 -20.028 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.234 0.767 -21.919 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.573 -0.053 -22.698 1.00 0.00 H new ATOM 1013 N SER A 64 -12.084 2.726 -20.937 1.00 0.00 N ATOM 1014 CA SER A 64 -12.920 3.915 -20.810 1.00 0.00 C ATOM 1015 C SER A 64 -12.824 4.917 -21.981 1.00 0.00 C ATOM 1016 O SER A 64 -13.885 5.326 -22.462 1.00 0.00 O ATOM 1017 CB SER A 64 -12.629 4.592 -19.461 1.00 0.00 C ATOM 1018 OG SER A 64 -12.524 3.620 -18.429 1.00 0.00 O ATOM 0 H SER A 64 -11.521 2.545 -20.106 1.00 0.00 H new ATOM 0 HA SER A 64 -13.954 3.571 -20.850 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.703 5.163 -19.526 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.424 5.299 -19.223 1.00 0.00 H new ATOM 0 HG SER A 64 -12.337 4.066 -17.577 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.633 5.343 -22.456 1.00 0.00 N ATOM 1025 CA PRO A 65 -11.550 6.430 -23.430 1.00 0.00 C ATOM 1026 C PRO A 65 -11.930 5.971 -24.846 1.00 0.00 C ATOM 1027 O PRO A 65 -12.866 6.514 -25.437 1.00 0.00 O ATOM 1028 CB PRO A 65 -10.105 6.936 -23.356 1.00 0.00 C ATOM 1029 CG PRO A 65 -9.320 5.714 -22.884 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.304 4.997 -21.963 1.00 0.00 C ATOM 0 HA PRO A 65 -12.261 7.223 -23.199 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.753 7.288 -24.326 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.007 7.769 -22.660 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.018 5.083 -23.720 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.410 6.000 -22.356 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.147 3.919 -21.986 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.175 5.316 -20.929 1.00 0.00 H new ATOM 1038 N PHE A 66 -11.204 4.987 -25.387 1.00 0.00 N ATOM 1039 CA PHE A 66 -11.366 4.432 -26.730 1.00 0.00 C ATOM 1040 C PHE A 66 -10.478 3.192 -26.844 1.00 0.00 C ATOM 1041 O PHE A 66 -10.936 2.137 -27.288 1.00 0.00 O ATOM 1042 CB PHE A 66 -10.947 5.455 -27.804 1.00 0.00 C ATOM 1043 CG PHE A 66 -11.099 4.947 -29.227 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -10.052 4.234 -29.846 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -12.296 5.176 -29.935 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -10.198 3.758 -31.161 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -12.442 4.700 -31.251 1.00 0.00 C ATOM 1048 CZ PHE A 66 -11.393 3.992 -31.865 1.00 0.00 C ATOM 0 H PHE A 66 -10.449 4.535 -24.871 1.00 0.00 H new ATOM 0 HA PHE A 66 -12.414 4.179 -26.890 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.545 6.358 -27.685 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.907 5.737 -27.638 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.134 4.053 -29.308 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.104 5.718 -29.466 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.393 3.213 -31.630 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.361 4.878 -31.790 1.00 0.00 H new ATOM 0 HZ PHE A 66 -11.505 3.629 -32.876 1.00 0.00 H new ATOM 1058 N SER A 67 -9.216 3.312 -26.415 1.00 0.00 N ATOM 1059 CA SER A 67 -8.314 2.190 -26.217 1.00 0.00 C ATOM 1060 C SER A 67 -8.943 1.194 -25.244 1.00 0.00 C ATOM 1061 O SER A 67 -9.692 1.580 -24.340 1.00 0.00 O ATOM 1062 CB SER A 67 -6.952 2.703 -25.731 1.00 0.00 C ATOM 1063 OG SER A 67 -7.056 3.924 -25.007 1.00 0.00 O ATOM 0 H SER A 67 -8.793 4.213 -26.194 1.00 0.00 H new ATOM 0 HA SER A 67 -8.147 1.666 -27.158 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.488 1.947 -25.098 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.295 2.848 -26.589 1.00 0.00 H new ATOM 0 HG SER A 67 -6.164 4.209 -24.717 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.667 -0.095 -25.443 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.368 -1.191 -24.782 1.00 0.00 C ATOM 1071 C LYS A 68 -8.467 -2.413 -24.763 1.00 0.00 C ATOM 1072 O LYS A 68 -7.541 -2.507 -25.572 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.697 -1.483 -25.515 1.00 0.00 C ATOM 1074 CG LYS A 68 -10.508 -2.152 -26.891 1.00 0.00 C ATOM 1075 CD LYS A 68 -11.788 -2.106 -27.730 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.592 -2.874 -29.045 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.811 -2.854 -29.892 1.00 0.00 N ATOM 0 H LYS A 68 -7.936 -0.410 -26.080 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.608 -0.918 -23.754 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.314 -2.127 -24.889 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.243 -0.549 -25.646 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.703 -1.652 -27.430 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.203 -3.189 -26.751 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.615 -2.540 -27.168 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.055 -1.071 -27.942 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.760 -2.438 -29.598 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.322 -3.907 -28.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.633 -3.384 -30.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.600 -3.293 -29.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.055 -1.870 -30.126 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.786 -3.375 -23.904 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.066 -4.634 -23.829 1.00 0.00 C ATOM 1093 C VAL A 69 -9.009 -5.764 -24.238 1.00 0.00 C ATOM 1094 O VAL A 69 -10.218 -5.700 -23.999 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.435 -4.825 -22.434 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.455 -3.683 -22.135 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.452 -4.909 -21.286 1.00 0.00 C ATOM 0 H VAL A 69 -9.555 -3.300 -23.239 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.227 -4.638 -24.525 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.924 -5.787 -22.479 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.016 -3.829 -21.148 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.665 -3.676 -22.886 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.987 -2.732 -22.159 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.924 -5.043 -20.342 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.035 -3.989 -21.248 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.119 -5.755 -21.452 1.00 0.00 H new ATOM 1107 N THR A 70 -8.439 -6.804 -24.831 1.00 0.00 N ATOM 1108 CA THR A 70 -9.099 -8.057 -25.166 1.00 0.00 C ATOM 1109 C THR A 70 -8.373 -9.221 -24.469 1.00 0.00 C ATOM 1110 O THR A 70 -8.902 -10.334 -24.417 1.00 0.00 O ATOM 1111 CB THR A 70 -9.166 -8.204 -26.698 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.893 -7.980 -27.277 1.00 0.00 O ATOM 1113 CG2 THR A 70 -10.144 -7.193 -27.316 1.00 0.00 C ATOM 0 H THR A 70 -7.456 -6.796 -25.104 1.00 0.00 H new ATOM 0 HA THR A 70 -10.127 -8.068 -24.803 1.00 0.00 H new ATOM 0 HB THR A 70 -9.506 -9.219 -26.902 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.954 -8.079 -28.250 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.167 -7.324 -28.398 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.142 -7.357 -26.909 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.818 -6.180 -27.080 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.208 -8.962 -23.860 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.520 -9.847 -22.930 1.00 0.00 C ATOM 1123 C ASP A 71 -5.729 -8.971 -21.959 1.00 0.00 C ATOM 1124 O ASP A 71 -5.198 -7.928 -22.350 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.576 -10.795 -23.681 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.769 -11.665 -22.707 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -5.383 -12.418 -21.919 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.519 -11.618 -22.741 1.00 0.00 O ATOM 0 H ASP A 71 -6.703 -8.089 -24.014 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.241 -10.462 -22.392 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.154 -11.433 -24.349 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.895 -10.215 -24.304 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.664 -9.379 -20.693 1.00 0.00 N ATOM 1134 CA ILE A 72 -4.951 -8.686 -19.630 1.00 0.00 C ATOM 1135 C ILE A 72 -4.430 -9.754 -18.665 1.00 0.00 C ATOM 1136 O ILE A 72 -5.131 -10.729 -18.373 1.00 0.00 O ATOM 1137 CB ILE A 72 -5.863 -7.617 -18.962 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.118 -6.895 -17.811 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.221 -8.167 -18.480 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -5.773 -5.578 -17.361 1.00 0.00 C ATOM 0 H ILE A 72 -6.123 -10.231 -20.372 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.099 -8.123 -20.011 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.096 -6.895 -19.744 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.057 -7.568 -16.955 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.096 -6.689 -18.128 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.799 -7.362 -18.026 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.770 -8.574 -19.329 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.054 -8.954 -17.744 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.188 -5.138 -16.553 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.810 -4.884 -18.201 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.786 -5.777 -17.010 1.00 0.00 H new ATOM 1152 N SER A 73 -3.215 -9.555 -18.161 1.00 0.00 N ATOM 1153 CA SER A 73 -2.556 -10.406 -17.183 1.00 0.00 C ATOM 1154 C SER A 73 -1.908 -9.481 -16.156 1.00 0.00 C ATOM 1155 O SER A 73 -1.434 -8.399 -16.517 1.00 0.00 O ATOM 1156 CB SER A 73 -1.504 -11.284 -17.878 1.00 0.00 C ATOM 1157 OG SER A 73 -2.093 -12.103 -18.878 1.00 0.00 O ATOM 0 H SER A 73 -2.640 -8.759 -18.438 1.00 0.00 H new ATOM 0 HA SER A 73 -3.264 -11.075 -16.695 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.739 -10.651 -18.328 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.005 -11.911 -17.139 1.00 0.00 H new ATOM 0 HG SER A 73 -1.400 -12.649 -19.304 1.00 0.00 H new ATOM 1163 N VAL A 74 -1.912 -9.881 -14.884 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.544 -9.021 -13.764 1.00 0.00 C ATOM 1165 C VAL A 74 -0.724 -9.848 -12.765 1.00 0.00 C ATOM 1166 O VAL A 74 -0.963 -11.046 -12.587 1.00 0.00 O ATOM 1167 CB VAL A 74 -2.823 -8.417 -13.120 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.496 -7.390 -12.022 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -3.749 -7.736 -14.148 1.00 0.00 C ATOM 0 H VAL A 74 -2.175 -10.825 -14.601 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.932 -8.184 -14.101 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.339 -9.272 -12.684 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.423 -6.997 -11.603 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.917 -7.872 -11.234 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.916 -6.572 -12.450 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.625 -7.334 -13.639 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.212 -6.926 -14.641 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.066 -8.467 -14.892 1.00 0.00 H new ATOM 1179 N THR A 75 0.210 -9.186 -12.086 1.00 0.00 N ATOM 1180 CA THR A 75 0.883 -9.645 -10.877 1.00 0.00 C ATOM 1181 C THR A 75 0.716 -8.514 -9.854 1.00 0.00 C ATOM 1182 O THR A 75 0.601 -7.347 -10.237 1.00 0.00 O ATOM 1183 CB THR A 75 2.381 -9.900 -11.148 1.00 0.00 C ATOM 1184 OG1 THR A 75 2.635 -10.451 -12.431 1.00 0.00 O ATOM 1185 CG2 THR A 75 3.019 -10.839 -10.122 1.00 0.00 C ATOM 0 H THR A 75 0.534 -8.265 -12.382 1.00 0.00 H new ATOM 0 HA THR A 75 0.460 -10.584 -10.519 1.00 0.00 H new ATOM 0 HB THR A 75 2.826 -8.907 -11.079 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.309 -11.375 -12.461 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.072 -10.981 -10.364 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.931 -10.404 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.509 -11.802 -10.144 1.00 0.00 H new ATOM 1193 N GLU A 76 0.754 -8.831 -8.563 1.00 0.00 N ATOM 1194 CA GLU A 76 0.733 -7.861 -7.478 1.00 0.00 C ATOM 1195 C GLU A 76 1.845 -8.279 -6.513 1.00 0.00 C ATOM 1196 O GLU A 76 2.088 -9.479 -6.341 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.623 -7.911 -6.750 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.837 -7.479 -7.590 1.00 0.00 C ATOM 1199 CD GLU A 76 -1.911 -5.973 -7.904 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -1.195 -5.161 -7.278 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -2.778 -5.594 -8.725 1.00 0.00 O ATOM 0 H GLU A 76 0.802 -9.796 -8.236 1.00 0.00 H new ATOM 0 HA GLU A 76 0.879 -6.847 -7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.790 -8.929 -6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.567 -7.273 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.823 -8.030 -8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.746 -7.770 -7.063 1.00 0.00 H new ATOM 1208 N SER A 77 2.547 -7.330 -5.899 1.00 0.00 N ATOM 1209 CA SER A 77 3.634 -7.589 -4.957 1.00 0.00 C ATOM 1210 C SER A 77 3.847 -6.363 -4.062 1.00 0.00 C ATOM 1211 O SER A 77 3.292 -5.295 -4.313 1.00 0.00 O ATOM 1212 CB SER A 77 4.917 -7.921 -5.743 1.00 0.00 C ATOM 1213 OG SER A 77 4.765 -9.107 -6.503 1.00 0.00 O ATOM 0 H SER A 77 2.372 -6.336 -6.046 1.00 0.00 H new ATOM 0 HA SER A 77 3.380 -8.437 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.165 -7.092 -6.406 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.751 -8.035 -5.050 1.00 0.00 H new ATOM 0 HG SER A 77 3.849 -9.441 -6.408 1.00 0.00 H new ATOM 1219 N ARG A 78 4.675 -6.495 -3.020 1.00 0.00 N ATOM 1220 CA ARG A 78 5.119 -5.372 -2.179 1.00 0.00 C ATOM 1221 C ARG A 78 6.399 -4.731 -2.746 1.00 0.00 C ATOM 1222 O ARG A 78 6.990 -3.863 -2.107 1.00 0.00 O ATOM 1223 CB ARG A 78 5.311 -5.860 -0.726 1.00 0.00 C ATOM 1224 CG ARG A 78 4.013 -5.952 0.104 1.00 0.00 C ATOM 1225 CD ARG A 78 2.892 -6.831 -0.467 1.00 0.00 C ATOM 1226 NE ARG A 78 3.312 -8.234 -0.653 1.00 0.00 N ATOM 1227 CZ ARG A 78 2.690 -9.145 -1.412 1.00 0.00 C ATOM 1228 NH1 ARG A 78 1.577 -8.833 -2.076 1.00 0.00 N ATOM 1229 NH2 ARG A 78 3.197 -10.368 -1.521 1.00 0.00 N ATOM 0 H ARG A 78 5.061 -7.394 -2.732 1.00 0.00 H new ATOM 0 HA ARG A 78 4.353 -4.596 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.782 -6.843 -0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.002 -5.186 -0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.268 -6.327 1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.621 -4.944 0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.032 -6.798 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.566 -6.423 -1.424 1.00 0.00 H new ATOM 0 HE ARG A 78 4.151 -8.537 -0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.190 -7.892 -2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.112 -9.536 -2.651 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.056 -10.610 -1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.727 -11.065 -2.098 1.00 0.00 H new ATOM 1243 N SER A 79 6.854 -5.170 -3.922 1.00 0.00 N ATOM 1244 CA SER A 79 8.080 -4.760 -4.589 1.00 0.00 C ATOM 1245 C SER A 79 7.974 -3.328 -5.137 1.00 0.00 C ATOM 1246 O SER A 79 7.815 -3.124 -6.339 1.00 0.00 O ATOM 1247 CB SER A 79 8.396 -5.784 -5.691 1.00 0.00 C ATOM 1248 OG SER A 79 8.262 -7.109 -5.194 1.00 0.00 O ATOM 0 H SER A 79 6.339 -5.865 -4.463 1.00 0.00 H new ATOM 0 HA SER A 79 8.902 -4.741 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.723 -5.637 -6.536 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.410 -5.629 -6.060 1.00 0.00 H new ATOM 0 HG SER A 79 8.465 -7.748 -5.908 1.00 0.00 H new ATOM 1254 N LEU A 80 8.012 -2.324 -4.260 1.00 0.00 N ATOM 1255 CA LEU A 80 8.086 -0.917 -4.652 1.00 0.00 C ATOM 1256 C LEU A 80 9.306 -0.693 -5.548 1.00 0.00 C ATOM 1257 O LEU A 80 10.385 -1.237 -5.294 1.00 0.00 O ATOM 1258 CB LEU A 80 8.171 -0.018 -3.404 1.00 0.00 C ATOM 1259 CG LEU A 80 6.811 0.458 -2.864 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.802 -0.672 -2.631 1.00 0.00 C ATOM 1261 CD2 LEU A 80 7.037 1.218 -1.552 1.00 0.00 C ATOM 0 H LEU A 80 7.992 -2.466 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 80 7.184 -0.656 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.690 -0.562 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.778 0.855 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 80 6.376 1.100 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.870 -0.255 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.611 -1.189 -3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.207 -1.377 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.079 1.560 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.511 0.558 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.682 2.077 -1.736 1.00 0.00 H new ATOM 1273 N GLU A 81 9.141 0.145 -6.570 1.00 0.00 N ATOM 1274 CA GLU A 81 10.215 0.527 -7.480 1.00 0.00 C ATOM 1275 C GLU A 81 11.129 1.588 -6.853 1.00 0.00 C ATOM 1276 O GLU A 81 12.291 1.707 -7.248 1.00 0.00 O ATOM 1277 CB GLU A 81 9.610 1.064 -8.790 1.00 0.00 C ATOM 1278 CG GLU A 81 8.758 0.026 -9.538 1.00 0.00 C ATOM 1279 CD GLU A 81 9.539 -1.279 -9.780 1.00 0.00 C ATOM 1280 OE1 GLU A 81 10.559 -1.262 -10.506 1.00 0.00 O ATOM 1281 OE2 GLU A 81 9.141 -2.325 -9.225 1.00 0.00 O ATOM 0 H GLU A 81 8.246 0.582 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 81 10.820 -0.356 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.995 1.936 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.415 1.401 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.858 -0.189 -8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.435 0.440 -10.493 1.00 0.00 H new ATOM 1288 N GLY A 82 10.623 2.352 -5.880 1.00 0.00 N ATOM 1289 CA GLY A 82 11.278 3.551 -5.387 1.00 0.00 C ATOM 1290 C GLY A 82 11.108 4.663 -6.416 1.00 0.00 C ATOM 1291 O GLY A 82 12.096 5.274 -6.831 1.00 0.00 O ATOM 0 H GLY A 82 9.739 2.147 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.846 3.851 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.336 3.358 -5.212 1.00 0.00 H new ATOM 1295 N HIS A 83 9.881 4.869 -6.906 1.00 0.00 N ATOM 1296 CA HIS A 83 9.557 5.849 -7.944 1.00 0.00 C ATOM 1297 C HIS A 83 8.423 6.756 -7.460 1.00 0.00 C ATOM 1298 O HIS A 83 7.616 6.358 -6.617 1.00 0.00 O ATOM 1299 CB HIS A 83 9.172 5.132 -9.252 1.00 0.00 C ATOM 1300 CG HIS A 83 10.310 4.442 -9.974 1.00 0.00 C ATOM 1301 ND1 HIS A 83 11.626 4.346 -9.570 1.00 0.00 N ATOM 1302 CD2 HIS A 83 10.224 3.817 -11.190 1.00 0.00 C ATOM 1303 CE1 HIS A 83 12.307 3.673 -10.510 1.00 0.00 C ATOM 1304 NE2 HIS A 83 11.495 3.331 -11.529 1.00 0.00 N ATOM 0 H HIS A 83 9.067 4.346 -6.583 1.00 0.00 H new ATOM 0 HA HIS A 83 10.433 6.466 -8.145 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.404 4.391 -9.028 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.724 5.861 -9.928 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.014 4.722 -8.705 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.329 3.716 -11.786 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.360 3.438 -10.457 1.00 0.00 H new ATOM 1312 N HIS A 84 8.358 7.972 -8.016 1.00 0.00 N ATOM 1313 CA HIS A 84 7.485 9.047 -7.531 1.00 0.00 C ATOM 1314 C HIS A 84 6.772 9.788 -8.678 1.00 0.00 C ATOM 1315 O HIS A 84 6.130 10.815 -8.447 1.00 0.00 O ATOM 1316 CB HIS A 84 8.316 10.016 -6.668 1.00 0.00 C ATOM 1317 CG HIS A 84 9.111 9.342 -5.572 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.477 9.161 -5.543 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.605 8.759 -4.439 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.786 8.489 -4.420 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.674 8.221 -3.708 1.00 0.00 N ATOM 0 H HIS A 84 8.918 8.240 -8.826 1.00 0.00 H new ATOM 0 HA HIS A 84 6.695 8.603 -6.925 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.001 10.564 -7.314 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.647 10.749 -6.218 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.563 8.721 -4.158 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.786 8.204 -4.129 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.621 7.727 -2.817 1.00 0.00 H new ATOM 1329 N ARG A 85 6.878 9.288 -9.915 1.00 0.00 N ATOM 1330 CA ARG A 85 6.210 9.816 -11.106 1.00 0.00 C ATOM 1331 C ARG A 85 5.934 8.655 -12.059 1.00 0.00 C ATOM 1332 O ARG A 85 6.488 7.567 -11.873 1.00 0.00 O ATOM 1333 CB ARG A 85 7.071 10.909 -11.772 1.00 0.00 C ATOM 1334 CG ARG A 85 8.475 10.436 -12.204 1.00 0.00 C ATOM 1335 CD ARG A 85 9.242 11.524 -12.967 1.00 0.00 C ATOM 1336 NE ARG A 85 9.564 12.687 -12.119 1.00 0.00 N ATOM 1337 CZ ARG A 85 10.077 13.848 -12.549 1.00 0.00 C ATOM 1338 NH1 ARG A 85 10.345 14.034 -13.840 1.00 0.00 N ATOM 1339 NH2 ARG A 85 10.322 14.823 -11.680 1.00 0.00 N ATOM 0 H ARG A 85 7.455 8.472 -10.119 1.00 0.00 H new ATOM 0 HA ARG A 85 5.265 10.284 -10.831 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.543 11.288 -12.647 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.179 11.743 -11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.045 10.142 -11.323 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.381 9.551 -12.833 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.165 11.102 -13.365 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.648 11.853 -13.819 1.00 0.00 H new ATOM 0 HE ARG A 85 9.380 12.600 -11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.160 13.289 -14.512 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.735 14.921 -14.157 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.120 14.686 -10.690 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.712 15.708 -12.003 1.00 0.00 H new ATOM 1353 N PHE A 86 5.096 8.865 -13.071 1.00 0.00 N ATOM 1354 CA PHE A 86 4.985 7.912 -14.167 1.00 0.00 C ATOM 1355 C PHE A 86 6.181 8.060 -15.116 1.00 0.00 C ATOM 1356 O PHE A 86 6.841 9.106 -15.133 1.00 0.00 O ATOM 1357 CB PHE A 86 3.648 8.076 -14.902 1.00 0.00 C ATOM 1358 CG PHE A 86 3.410 9.422 -15.562 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.994 9.728 -16.808 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.539 10.344 -14.957 1.00 0.00 C ATOM 1361 CE1 PHE A 86 3.717 10.956 -17.435 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.265 11.574 -15.582 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.854 11.880 -16.821 1.00 0.00 C ATOM 0 H PHE A 86 4.489 9.681 -13.153 1.00 0.00 H new ATOM 0 HA PHE A 86 5.003 6.901 -13.760 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.579 7.302 -15.666 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.841 7.895 -14.192 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.655 9.018 -17.282 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.079 10.107 -14.009 1.00 0.00 H new ATOM 0 HE1 PHE A 86 4.167 11.189 -18.388 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.602 12.284 -15.110 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.644 12.824 -17.301 1.00 0.00 H new ATOM 1373 N SER A 87 6.403 7.048 -15.955 1.00 0.00 N ATOM 1374 CA SER A 87 7.455 7.019 -16.964 1.00 0.00 C ATOM 1375 C SER A 87 6.910 6.382 -18.247 1.00 0.00 C ATOM 1376 O SER A 87 5.992 5.555 -18.211 1.00 0.00 O ATOM 1377 CB SER A 87 8.665 6.236 -16.429 1.00 0.00 C ATOM 1378 OG SER A 87 9.106 6.742 -15.176 1.00 0.00 O ATOM 0 H SER A 87 5.836 6.200 -15.949 1.00 0.00 H new ATOM 0 HA SER A 87 7.780 8.034 -17.192 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.400 5.184 -16.324 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.481 6.289 -17.150 1.00 0.00 H new ATOM 0 HG SER A 87 9.875 6.220 -14.865 1.00 0.00 H new ATOM 1384 N ILE A 88 7.474 6.754 -19.393 1.00 0.00 N ATOM 1385 CA ILE A 88 7.050 6.283 -20.704 1.00 0.00 C ATOM 1386 C ILE A 88 8.350 5.945 -21.430 1.00 0.00 C ATOM 1387 O ILE A 88 9.204 6.818 -21.604 1.00 0.00 O ATOM 1388 CB ILE A 88 6.194 7.355 -21.428 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.979 7.784 -20.572 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.719 6.797 -22.778 1.00 0.00 C ATOM 1391 CD1 ILE A 88 4.017 8.789 -21.220 1.00 0.00 C ATOM 0 H ILE A 88 8.257 7.407 -19.434 1.00 0.00 H new ATOM 0 HA ILE A 88 6.400 5.410 -20.658 1.00 0.00 H new ATOM 0 HB ILE A 88 6.811 8.239 -21.589 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.414 6.891 -20.307 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.350 8.215 -19.642 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.117 7.547 -23.290 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.584 6.545 -23.392 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.119 5.902 -22.611 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.206 9.015 -20.528 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.556 9.706 -21.459 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.605 8.361 -22.134 1.00 0.00 H new ATOM 1403 N VAL A 89 8.540 4.672 -21.771 1.00 0.00 N ATOM 1404 CA VAL A 89 9.777 4.203 -22.391 1.00 0.00 C ATOM 1405 C VAL A 89 9.756 4.574 -23.883 1.00 0.00 C ATOM 1406 O VAL A 89 8.702 4.509 -24.523 1.00 0.00 O ATOM 1407 CB VAL A 89 9.920 2.686 -22.137 1.00 0.00 C ATOM 1408 CG1 VAL A 89 11.183 2.083 -22.770 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.959 2.390 -20.625 1.00 0.00 C ATOM 0 H VAL A 89 7.845 3.940 -21.626 1.00 0.00 H new ATOM 0 HA VAL A 89 10.654 4.682 -21.955 1.00 0.00 H new ATOM 0 HB VAL A 89 9.048 2.227 -22.604 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.224 1.015 -22.555 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.157 2.235 -23.849 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.066 2.570 -22.356 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.060 1.316 -20.467 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.808 2.904 -20.175 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.036 2.740 -20.162 1.00 0.00 H new