USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=19 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= 0.851 X(o=1.7,f=1.5) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.89 USER MOD Single : A 1 MET CE :methyl 137:sc= -0.164 (180deg=-1.54) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.151 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.57 K(o=1.6,f=-0.33) USER MOD Single : A 4 TYR OH : rot 122:sc= 2 USER MOD Single : A 13 GLN : amide:sc= -0.277 K(o=-0.28,f=-7.1!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.283 K(o=0.28,f=-3.4!) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.836 (180deg=-2.21!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.32 (180deg=1.23) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 1.13 (180deg=1.1) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.94 K(o=0.94,f=-0.18) USER MOD Single : A 55 SER OG : rot 64:sc= 1.28 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.754 USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.015) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.086 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.351 K(o=0.35,f=-3.8!) USER MOD Single : A 84 HIS : no HE2:sc= 0.527 K(o=0.53,f=-2.5!) USER MOD Single : A 87 SER OG : rot -150:sc= 0.623 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.827 -0.684 1.682 1.00 0.00 N ATOM 2 CA MET A 1 2.292 -0.332 0.339 1.00 0.00 C ATOM 3 C MET A 1 2.658 -1.438 -0.675 1.00 0.00 C ATOM 4 O MET A 1 3.178 -2.477 -0.266 1.00 0.00 O ATOM 5 CB MET A 1 2.748 1.083 -0.083 1.00 0.00 C ATOM 6 CG MET A 1 1.655 1.829 -0.854 1.00 0.00 C ATOM 7 SD MET A 1 2.166 3.386 -1.641 1.00 0.00 S ATOM 8 CE MET A 1 3.480 2.794 -2.745 1.00 0.00 C ATOM 0 H1 MET A 1 2.086 -0.543 2.398 1.00 0.00 H new ATOM 0 H2 MET A 1 3.128 -1.679 1.686 1.00 0.00 H new ATOM 0 H3 MET A 1 3.641 -0.075 1.902 1.00 0.00 H new ATOM 0 HA MET A 1 1.203 -0.287 0.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.022 1.655 0.803 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.642 1.007 -0.702 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.263 1.166 -1.625 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.834 2.042 -0.169 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.382 3.276 -3.718 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.452 3.036 -2.316 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.395 1.714 -2.865 1.00 0.00 H new ATOM 20 N LEU A 2 2.331 -1.297 -1.970 1.00 0.00 N ATOM 21 CA LEU A 2 2.400 -2.385 -2.952 1.00 0.00 C ATOM 22 C LEU A 2 2.860 -1.876 -4.331 1.00 0.00 C ATOM 23 O LEU A 2 3.172 -0.696 -4.505 1.00 0.00 O ATOM 24 CB LEU A 2 1.018 -3.074 -3.062 1.00 0.00 C ATOM 25 CG LEU A 2 0.730 -4.183 -2.026 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.063 -3.678 -0.815 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.075 -5.320 -2.670 1.00 0.00 C ATOM 0 H LEU A 2 2.008 -0.414 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 2 3.140 -3.108 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.245 -2.311 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.927 -3.504 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 2 1.704 -4.532 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.234 -4.502 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.502 -2.893 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.021 -3.279 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.270 -6.094 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.021 -4.929 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.494 -5.746 -3.497 1.00 0.00 H new ATOM 39 N GLN A 3 2.896 -2.785 -5.307 1.00 0.00 N ATOM 40 CA GLN A 3 3.204 -2.598 -6.716 1.00 0.00 C ATOM 41 C GLN A 3 2.294 -3.518 -7.541 1.00 0.00 C ATOM 42 O GLN A 3 1.880 -4.567 -7.043 1.00 0.00 O ATOM 43 CB GLN A 3 4.706 -2.913 -6.910 1.00 0.00 C ATOM 44 CG GLN A 3 5.154 -3.314 -8.329 1.00 0.00 C ATOM 45 CD GLN A 3 6.655 -3.574 -8.499 1.00 0.00 C ATOM 46 OE1 GLN A 3 7.128 -3.762 -9.613 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.451 -3.601 -7.446 1.00 0.00 N ATOM 0 H GLN A 3 2.689 -3.763 -5.105 1.00 0.00 H new ATOM 0 HA GLN A 3 3.022 -1.577 -7.051 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.279 -2.036 -6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.975 -3.720 -6.228 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.612 -4.213 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.859 -2.525 -9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.068 -3.446 -6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.449 -3.777 -7.565 1.00 0.00 H new ATOM 56 N TYR A 4 2.052 -3.174 -8.813 1.00 0.00 N ATOM 57 CA TYR A 4 1.558 -4.105 -9.828 1.00 0.00 C ATOM 58 C TYR A 4 2.619 -4.299 -10.910 1.00 0.00 C ATOM 59 O TYR A 4 3.500 -3.456 -11.097 1.00 0.00 O ATOM 60 CB TYR A 4 0.196 -3.675 -10.433 1.00 0.00 C ATOM 61 CG TYR A 4 0.110 -2.368 -11.230 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.984 -2.070 -12.301 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.927 -1.457 -10.946 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.928 -0.830 -12.952 1.00 0.00 C ATOM 65 CE2 TYR A 4 -1.002 -0.218 -11.604 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.043 0.119 -12.584 1.00 0.00 C ATOM 67 OH TYR A 4 -0.028 1.340 -13.182 1.00 0.00 O ATOM 0 H TYR A 4 2.197 -2.228 -9.167 1.00 0.00 H new ATOM 0 HA TYR A 4 1.371 -5.060 -9.337 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.142 -4.480 -11.086 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.520 -3.607 -9.614 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.704 -2.808 -12.622 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.675 -1.715 -10.211 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.632 -0.602 -13.738 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.793 0.476 -11.360 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.890 1.501 -13.619 1.00 0.00 H new ATOM 77 N ARG A 5 2.440 -5.344 -11.715 1.00 0.00 N ATOM 78 CA ARG A 5 2.938 -5.433 -13.083 1.00 0.00 C ATOM 79 C ARG A 5 1.758 -5.944 -13.902 1.00 0.00 C ATOM 80 O ARG A 5 1.032 -6.824 -13.436 1.00 0.00 O ATOM 81 CB ARG A 5 4.166 -6.353 -13.147 1.00 0.00 C ATOM 82 CG ARG A 5 4.825 -6.353 -14.540 1.00 0.00 C ATOM 83 CD ARG A 5 6.141 -7.144 -14.540 1.00 0.00 C ATOM 84 NE ARG A 5 5.926 -8.586 -14.326 1.00 0.00 N ATOM 85 CZ ARG A 5 5.731 -9.509 -15.277 1.00 0.00 C ATOM 86 NH1 ARG A 5 5.726 -9.181 -16.567 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.536 -10.777 -14.927 1.00 0.00 N ATOM 0 H ARG A 5 1.929 -6.177 -11.423 1.00 0.00 H new ATOM 0 HA ARG A 5 3.284 -4.477 -13.476 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.895 -6.034 -12.403 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.870 -7.369 -12.888 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.139 -6.786 -15.268 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.016 -5.327 -14.853 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.654 -6.992 -15.490 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.795 -6.757 -13.759 1.00 0.00 H new ATOM 0 HE ARG A 5 5.926 -8.913 -13.360 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.873 -8.211 -16.847 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.576 -9.899 -17.275 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.536 -11.040 -13.941 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.387 -11.487 -15.644 1.00 0.00 H new ATOM 101 N ILE A 6 1.528 -5.375 -15.077 1.00 0.00 N ATOM 102 CA ILE A 6 0.338 -5.605 -15.888 1.00 0.00 C ATOM 103 C ILE A 6 0.833 -5.777 -17.317 1.00 0.00 C ATOM 104 O ILE A 6 1.706 -5.020 -17.741 1.00 0.00 O ATOM 105 CB ILE A 6 -0.628 -4.394 -15.770 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.162 -4.226 -14.332 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.805 -4.507 -16.761 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.933 -2.924 -14.101 1.00 0.00 C ATOM 0 H ILE A 6 2.183 -4.721 -15.506 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.216 -6.485 -15.561 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.047 -3.507 -16.025 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.813 -5.068 -14.097 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.323 -4.268 -13.637 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.459 -3.642 -16.649 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.420 -4.542 -17.780 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.368 -5.417 -16.555 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.275 -2.882 -13.067 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.281 -2.074 -14.302 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.793 -2.887 -14.769 1.00 0.00 H new ATOM 120 N ILE A 7 0.231 -6.693 -18.074 1.00 0.00 N ATOM 121 CA ILE A 7 0.353 -6.744 -19.527 1.00 0.00 C ATOM 122 C ILE A 7 -1.066 -6.703 -20.093 1.00 0.00 C ATOM 123 O ILE A 7 -1.985 -7.282 -19.503 1.00 0.00 O ATOM 124 CB ILE A 7 1.141 -7.976 -20.067 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.638 -9.018 -19.037 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.308 -7.505 -20.948 1.00 0.00 C ATOM 127 CD1 ILE A 7 2.937 -8.655 -18.303 1.00 0.00 C ATOM 0 H ILE A 7 -0.362 -7.429 -17.689 1.00 0.00 H new ATOM 0 HA ILE A 7 0.947 -5.890 -19.854 1.00 0.00 H new ATOM 0 HB ILE A 7 0.393 -8.526 -20.637 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.854 -9.173 -18.296 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.785 -9.969 -19.550 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.854 -8.371 -21.322 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.920 -6.930 -21.789 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.979 -6.879 -20.359 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.196 -9.452 -17.606 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.742 -8.531 -19.027 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.797 -7.724 -17.754 1.00 0.00 H new ATOM 139 N VAL A 8 -1.242 -6.042 -21.237 1.00 0.00 N ATOM 140 CA VAL A 8 -2.516 -5.918 -21.931 1.00 0.00 C ATOM 141 C VAL A 8 -2.312 -6.100 -23.433 1.00 0.00 C ATOM 142 O VAL A 8 -1.229 -5.840 -23.970 1.00 0.00 O ATOM 143 CB VAL A 8 -3.197 -4.564 -21.620 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.735 -4.532 -20.191 1.00 0.00 C ATOM 145 CG2 VAL A 8 -2.311 -3.331 -21.841 1.00 0.00 C ATOM 0 H VAL A 8 -0.478 -5.566 -21.717 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.182 -6.703 -21.573 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.011 -4.502 -22.342 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.208 -3.568 -20.002 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.468 -5.328 -20.060 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.913 -4.677 -19.490 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.874 -2.430 -21.597 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.432 -3.395 -21.199 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.996 -3.291 -22.884 1.00 0.00 H new ATOM 155 N ASP A 9 -3.381 -6.515 -24.107 1.00 0.00 N ATOM 156 CA ASP A 9 -3.493 -6.623 -25.555 1.00 0.00 C ATOM 157 C ASP A 9 -4.935 -6.280 -25.923 1.00 0.00 C ATOM 158 O ASP A 9 -5.823 -6.394 -25.076 1.00 0.00 O ATOM 159 CB ASP A 9 -3.156 -8.051 -25.998 1.00 0.00 C ATOM 160 CG ASP A 9 -2.877 -8.185 -27.504 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.921 -7.185 -28.253 1.00 0.00 O ATOM 162 OD2 ASP A 9 -2.556 -9.319 -27.929 1.00 0.00 O ATOM 0 H ASP A 9 -4.237 -6.800 -23.631 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.799 -5.945 -26.052 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.283 -8.397 -25.444 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.983 -8.709 -25.731 1.00 0.00 H new ATOM 167 N GLY A 10 -5.179 -5.834 -27.151 1.00 0.00 N ATOM 168 CA GLY A 10 -6.448 -5.290 -27.608 1.00 0.00 C ATOM 169 C GLY A 10 -6.146 -4.152 -28.570 1.00 0.00 C ATOM 170 O GLY A 10 -5.065 -4.123 -29.169 1.00 0.00 O ATOM 0 H GLY A 10 -4.468 -5.843 -27.882 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.039 -6.061 -28.102 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.036 -4.931 -26.763 1.00 0.00 H new ATOM 174 N ARG A 11 -7.049 -3.173 -28.680 1.00 0.00 N ATOM 175 CA ARG A 11 -6.601 -1.853 -29.110 1.00 0.00 C ATOM 176 C ARG A 11 -5.968 -1.244 -27.867 1.00 0.00 C ATOM 177 O ARG A 11 -6.695 -0.827 -26.968 1.00 0.00 O ATOM 178 CB ARG A 11 -7.741 -0.983 -29.670 1.00 0.00 C ATOM 179 CG ARG A 11 -7.156 0.255 -30.371 1.00 0.00 C ATOM 180 CD ARG A 11 -8.243 1.257 -30.775 1.00 0.00 C ATOM 181 NE ARG A 11 -7.718 2.276 -31.699 1.00 0.00 N ATOM 182 CZ ARG A 11 -6.986 3.355 -31.386 1.00 0.00 C ATOM 183 NH1 ARG A 11 -6.700 3.654 -30.120 1.00 0.00 N ATOM 184 NH2 ARG A 11 -6.546 4.133 -32.371 1.00 0.00 N ATOM 0 H ARG A 11 -8.047 -3.263 -28.487 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.899 -1.920 -29.941 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.340 -1.561 -30.373 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.406 -0.675 -28.863 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.442 0.743 -29.707 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.605 -0.058 -31.258 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.071 0.728 -31.247 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.642 1.742 -29.884 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.935 2.147 -32.687 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.040 3.057 -29.366 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.141 4.480 -29.905 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.767 3.903 -33.340 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.987 4.959 -32.157 1.00 0.00 H new ATOM 198 N VAL A 12 -4.637 -1.253 -27.805 1.00 0.00 N ATOM 199 CA VAL A 12 -3.860 -0.778 -26.661 1.00 0.00 C ATOM 200 C VAL A 12 -2.724 0.143 -27.132 1.00 0.00 C ATOM 201 O VAL A 12 -1.766 0.363 -26.398 1.00 0.00 O ATOM 202 CB VAL A 12 -3.379 -1.968 -25.792 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.561 -2.701 -25.137 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.526 -2.990 -26.564 1.00 0.00 C ATOM 0 H VAL A 12 -4.055 -1.599 -28.568 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.495 -0.174 -26.014 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.747 -1.519 -25.026 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.187 -3.529 -24.535 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.110 -2.008 -24.499 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.225 -3.086 -25.911 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.225 -3.794 -25.892 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.109 -3.403 -27.387 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.638 -2.497 -26.960 1.00 0.00 H new ATOM 214 N GLN A 13 -2.802 0.685 -28.353 1.00 0.00 N ATOM 215 CA GLN A 13 -1.940 1.741 -28.880 1.00 0.00 C ATOM 216 C GLN A 13 -2.786 2.568 -29.860 1.00 0.00 C ATOM 217 O GLN A 13 -3.869 2.136 -30.266 1.00 0.00 O ATOM 218 CB GLN A 13 -0.701 1.164 -29.603 1.00 0.00 C ATOM 219 CG GLN A 13 0.374 0.535 -28.703 1.00 0.00 C ATOM 220 CD GLN A 13 1.037 1.544 -27.760 1.00 0.00 C ATOM 221 OE1 GLN A 13 1.827 2.385 -28.177 1.00 0.00 O ATOM 222 NE2 GLN A 13 0.750 1.485 -26.472 1.00 0.00 N ATOM 0 H GLN A 13 -3.502 0.382 -29.030 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.567 2.355 -28.060 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.039 0.409 -30.313 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.239 1.963 -30.183 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.077 -0.263 -28.113 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.139 0.075 -29.329 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.093 0.785 -26.127 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.185 2.139 -25.822 1.00 0.00 H new ATOM 281 N ARG A 18 -0.718 4.662 -24.287 1.00 0.00 N ATOM 282 CA ARG A 18 0.317 4.609 -23.257 1.00 0.00 C ATOM 283 C ARG A 18 0.386 5.917 -22.457 1.00 0.00 C ATOM 284 O ARG A 18 0.718 5.876 -21.278 1.00 0.00 O ATOM 285 CB ARG A 18 1.661 4.084 -23.799 1.00 0.00 C ATOM 286 CG ARG A 18 2.558 5.067 -24.564 1.00 0.00 C ATOM 287 CD ARG A 18 3.890 4.388 -24.946 1.00 0.00 C ATOM 288 NE ARG A 18 3.781 3.592 -26.185 1.00 0.00 N ATOM 289 CZ ARG A 18 4.786 2.961 -26.806 1.00 0.00 C ATOM 290 NH1 ARG A 18 5.998 2.844 -26.284 1.00 0.00 N ATOM 291 NH2 ARG A 18 4.590 2.429 -27.999 1.00 0.00 N ATOM 0 HA ARG A 18 0.031 3.857 -22.522 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.233 3.695 -22.956 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.450 3.241 -24.457 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.047 5.413 -25.463 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.753 5.946 -23.950 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.659 5.149 -25.073 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.213 3.742 -24.130 1.00 0.00 H new ATOM 0 HE ARG A 18 2.855 3.516 -26.607 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.200 3.245 -25.368 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.730 2.353 -26.798 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.675 2.499 -28.445 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.353 1.948 -28.475 1.00 0.00 H new ATOM 305 N TYR A 19 0.009 7.063 -23.035 1.00 0.00 N ATOM 306 CA TYR A 19 -0.172 8.285 -22.254 1.00 0.00 C ATOM 307 C TYR A 19 -1.427 8.167 -21.384 1.00 0.00 C ATOM 308 O TYR A 19 -1.381 8.496 -20.198 1.00 0.00 O ATOM 309 CB TYR A 19 -0.262 9.508 -23.178 1.00 0.00 C ATOM 310 CG TYR A 19 -0.331 10.827 -22.428 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.838 11.380 -21.872 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.563 11.492 -22.272 1.00 0.00 C ATOM 313 CE1 TYR A 19 0.779 12.590 -21.156 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.628 12.708 -21.567 1.00 0.00 C ATOM 315 CZ TYR A 19 -0.455 13.260 -21.000 1.00 0.00 C ATOM 316 OH TYR A 19 -0.499 14.433 -20.307 1.00 0.00 O ATOM 0 H TYR A 19 -0.175 7.167 -24.033 1.00 0.00 H new ATOM 0 HA TYR A 19 0.692 8.419 -21.603 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.605 9.519 -23.839 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.144 9.412 -23.811 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.784 10.874 -21.995 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.461 11.067 -22.695 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.678 13.007 -20.725 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.573 13.220 -21.459 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.420 14.769 -20.290 1.00 0.00 H new ATOM 326 N PHE A 20 -2.534 7.664 -21.945 1.00 0.00 N ATOM 327 CA PHE A 20 -3.800 7.503 -21.238 1.00 0.00 C ATOM 328 C PHE A 20 -3.607 6.725 -19.944 1.00 0.00 C ATOM 329 O PHE A 20 -4.013 7.219 -18.890 1.00 0.00 O ATOM 330 CB PHE A 20 -4.877 6.872 -22.143 1.00 0.00 C ATOM 331 CG PHE A 20 -5.851 5.939 -21.438 1.00 0.00 C ATOM 332 CD1 PHE A 20 -6.817 6.459 -20.557 1.00 0.00 C ATOM 333 CD2 PHE A 20 -5.749 4.543 -21.605 1.00 0.00 C ATOM 334 CE1 PHE A 20 -7.682 5.595 -19.863 1.00 0.00 C ATOM 335 CE2 PHE A 20 -6.611 3.678 -20.905 1.00 0.00 C ATOM 336 CZ PHE A 20 -7.581 4.205 -20.038 1.00 0.00 C ATOM 0 H PHE A 20 -2.570 7.355 -22.916 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.162 8.495 -20.967 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.445 7.673 -22.617 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.380 6.318 -22.940 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.894 7.527 -20.413 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.005 4.135 -22.274 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.426 6.001 -19.194 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.526 2.609 -21.035 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.248 3.543 -19.506 1.00 0.00 H new ATOM 346 N VAL A 21 -2.952 5.562 -19.981 1.00 0.00 N ATOM 347 CA VAL A 21 -2.778 4.804 -18.761 1.00 0.00 C ATOM 348 C VAL A 21 -1.975 5.622 -17.745 1.00 0.00 C ATOM 349 O VAL A 21 -2.328 5.615 -16.576 1.00 0.00 O ATOM 350 CB VAL A 21 -2.219 3.399 -19.024 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.153 2.584 -19.936 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.792 3.363 -19.580 1.00 0.00 C ATOM 0 H VAL A 21 -2.548 5.143 -20.819 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.755 4.623 -18.314 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.169 2.942 -18.036 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.727 1.594 -20.102 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.129 2.484 -19.461 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.265 3.095 -20.892 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.487 2.328 -19.732 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.758 3.895 -20.531 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.114 3.841 -18.873 1.00 0.00 H new ATOM 362 N GLN A 22 -0.986 6.424 -18.153 1.00 0.00 N ATOM 363 CA GLN A 22 -0.264 7.265 -17.204 1.00 0.00 C ATOM 364 C GLN A 22 -1.087 8.468 -16.719 1.00 0.00 C ATOM 365 O GLN A 22 -0.834 8.956 -15.616 1.00 0.00 O ATOM 366 CB GLN A 22 1.105 7.669 -17.761 1.00 0.00 C ATOM 367 CG GLN A 22 2.017 6.489 -18.158 1.00 0.00 C ATOM 368 CD GLN A 22 2.391 5.511 -17.036 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.558 5.015 -16.286 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.661 5.177 -16.893 1.00 0.00 N ATOM 0 H GLN A 22 -0.673 6.506 -19.120 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.089 6.664 -16.312 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.953 8.302 -18.635 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.621 8.273 -17.015 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.524 5.927 -18.951 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.937 6.894 -18.579 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.367 5.581 -17.509 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.936 4.516 -16.167 1.00 0.00 H new ATOM 379 N MET A 23 -2.117 8.906 -17.451 1.00 0.00 N ATOM 380 CA MET A 23 -3.105 9.830 -16.883 1.00 0.00 C ATOM 381 C MET A 23 -3.842 9.131 -15.740 1.00 0.00 C ATOM 382 O MET A 23 -4.000 9.694 -14.659 1.00 0.00 O ATOM 383 CB MET A 23 -4.157 10.313 -17.894 1.00 0.00 C ATOM 384 CG MET A 23 -3.621 11.004 -19.148 1.00 0.00 C ATOM 385 SD MET A 23 -4.921 11.860 -20.091 1.00 0.00 S ATOM 386 CE MET A 23 -5.959 10.480 -20.662 1.00 0.00 C ATOM 0 H MET A 23 -2.287 8.641 -18.421 1.00 0.00 H new ATOM 0 HA MET A 23 -2.547 10.704 -16.547 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.753 9.455 -18.204 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.831 11.002 -17.385 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.853 11.723 -18.861 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.141 10.264 -19.788 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.999 10.803 -20.710 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.631 10.164 -21.652 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.870 9.646 -19.966 1.00 0.00 H new ATOM 396 N GLU A 24 -4.278 7.890 -15.959 1.00 0.00 N ATOM 397 CA GLU A 24 -4.974 7.094 -14.956 1.00 0.00 C ATOM 398 C GLU A 24 -4.040 6.700 -13.798 1.00 0.00 C ATOM 399 O GLU A 24 -4.505 6.478 -12.681 1.00 0.00 O ATOM 400 CB GLU A 24 -5.629 5.869 -15.618 1.00 0.00 C ATOM 401 CG GLU A 24 -6.602 6.235 -16.754 1.00 0.00 C ATOM 402 CD GLU A 24 -7.710 7.202 -16.313 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.486 6.844 -15.402 1.00 0.00 O ATOM 404 OE2 GLU A 24 -7.816 8.318 -16.872 1.00 0.00 O ATOM 0 H GLU A 24 -4.155 7.407 -16.849 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.765 7.702 -14.517 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.849 5.218 -16.013 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.166 5.299 -14.860 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.041 6.685 -17.573 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.057 5.324 -17.142 1.00 0.00 H new ATOM 411 N ALA A 25 -2.723 6.659 -14.024 1.00 0.00 N ATOM 412 CA ALA A 25 -1.736 6.516 -12.967 1.00 0.00 C ATOM 413 C ALA A 25 -1.757 7.769 -12.098 1.00 0.00 C ATOM 414 O ALA A 25 -1.936 7.673 -10.884 1.00 0.00 O ATOM 415 CB ALA A 25 -0.339 6.291 -13.560 1.00 0.00 C ATOM 0 H ALA A 25 -2.316 6.725 -14.957 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.980 5.647 -12.356 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.386 6.186 -12.753 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.342 5.384 -14.165 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.067 7.142 -14.184 1.00 0.00 H new ATOM 421 N ASP A 26 -1.626 8.946 -12.715 1.00 0.00 N ATOM 422 CA ASP A 26 -1.610 10.224 -12.006 1.00 0.00 C ATOM 423 C ASP A 26 -2.910 10.458 -11.240 1.00 0.00 C ATOM 424 O ASP A 26 -2.870 10.884 -10.085 1.00 0.00 O ATOM 425 CB ASP A 26 -1.360 11.374 -12.983 1.00 0.00 C ATOM 426 CG ASP A 26 -1.400 12.726 -12.252 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.421 13.066 -11.549 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.398 13.466 -12.394 1.00 0.00 O ATOM 0 H ASP A 26 -1.528 9.038 -13.726 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.796 10.188 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.391 11.244 -13.465 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.113 11.359 -13.771 1.00 0.00 H new ATOM 433 N LYS A 27 -4.064 10.107 -11.823 1.00 0.00 N ATOM 434 CA LYS A 27 -5.364 10.269 -11.165 1.00 0.00 C ATOM 435 C LYS A 27 -5.507 9.370 -9.928 1.00 0.00 C ATOM 436 O LYS A 27 -6.395 9.597 -9.104 1.00 0.00 O ATOM 437 CB LYS A 27 -6.519 10.176 -12.195 1.00 0.00 C ATOM 438 CG LYS A 27 -7.095 8.783 -12.514 1.00 0.00 C ATOM 439 CD LYS A 27 -8.305 8.411 -11.650 1.00 0.00 C ATOM 440 CE LYS A 27 -8.801 6.970 -11.853 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.737 6.833 -12.995 1.00 0.00 N ATOM 0 H LYS A 27 -4.121 9.705 -12.759 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.429 11.277 -10.755 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.337 10.801 -11.837 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.169 10.614 -13.130 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.384 8.750 -13.564 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.315 8.035 -12.374 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.045 8.550 -10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.121 9.099 -11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.944 6.316 -12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.295 6.631 -10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.217 5.912 -12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.444 7.595 -12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.207 6.896 -13.888 1.00 0.00 H new ATOM 455 N ARG A 28 -4.645 8.360 -9.757 1.00 0.00 N ATOM 456 CA ARG A 28 -4.560 7.505 -8.566 1.00 0.00 C ATOM 457 C ARG A 28 -3.218 7.687 -7.840 1.00 0.00 C ATOM 458 O ARG A 28 -2.883 6.876 -6.977 1.00 0.00 O ATOM 459 CB ARG A 28 -4.811 6.035 -8.970 1.00 0.00 C ATOM 460 CG ARG A 28 -6.209 5.684 -9.512 1.00 0.00 C ATOM 461 CD ARG A 28 -7.357 5.814 -8.496 1.00 0.00 C ATOM 462 NE ARG A 28 -7.707 7.217 -8.212 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.671 7.667 -7.402 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.479 6.827 -6.761 1.00 0.00 N ATOM 465 NH2 ARG A 28 -8.801 8.980 -7.252 1.00 0.00 N ATOM 0 H ARG A 28 -3.962 8.106 -10.471 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.332 7.802 -7.856 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.076 5.763 -9.728 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.619 5.408 -8.100 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.424 6.330 -10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.190 4.660 -9.885 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.236 5.294 -8.878 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.073 5.319 -7.567 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.150 7.926 -8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.369 5.820 -6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.209 7.190 -6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.175 9.614 -7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.527 9.354 -6.641 1.00 0.00 H new ATOM 479 N LYS A 29 -2.465 8.751 -8.151 1.00 0.00 N ATOM 480 CA LYS A 29 -1.146 9.074 -7.590 1.00 0.00 C ATOM 481 C LYS A 29 -0.186 7.873 -7.592 1.00 0.00 C ATOM 482 O LYS A 29 0.657 7.743 -6.702 1.00 0.00 O ATOM 483 CB LYS A 29 -1.296 9.751 -6.211 1.00 0.00 C ATOM 484 CG LYS A 29 -2.136 11.041 -6.265 1.00 0.00 C ATOM 485 CD LYS A 29 -2.280 11.725 -4.897 1.00 0.00 C ATOM 486 CE LYS A 29 -0.941 12.258 -4.364 1.00 0.00 C ATOM 487 NZ LYS A 29 -1.096 12.975 -3.073 1.00 0.00 N ATOM 0 H LYS A 29 -2.774 9.443 -8.834 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.668 9.799 -8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.759 9.050 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.307 9.984 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.676 11.738 -6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.127 10.806 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.989 12.549 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.696 11.016 -4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.247 11.428 -4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.501 12.930 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.168 13.317 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.738 13.784 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.492 12.328 -2.362 1.00 0.00 H new ATOM 501 N LEU A 30 -0.315 6.989 -8.582 1.00 0.00 N ATOM 502 CA LEU A 30 0.632 5.904 -8.816 1.00 0.00 C ATOM 503 C LEU A 30 1.917 6.489 -9.406 1.00 0.00 C ATOM 504 O LEU A 30 1.909 7.596 -9.953 1.00 0.00 O ATOM 505 CB LEU A 30 0.026 4.868 -9.779 1.00 0.00 C ATOM 506 CG LEU A 30 -1.235 4.148 -9.270 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.643 3.088 -10.288 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.028 3.459 -7.923 1.00 0.00 C ATOM 0 H LEU A 30 -1.087 7.008 -9.248 1.00 0.00 H new ATOM 0 HA LEU A 30 0.857 5.403 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.216 5.368 -10.717 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.785 4.119 -10.003 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.005 4.908 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.536 2.571 -9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.852 3.565 -11.246 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.832 2.369 -10.410 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.953 2.970 -7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.237 2.715 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.746 4.200 -7.175 1.00 0.00 H new ATOM 520 N ALA A 31 3.010 5.727 -9.348 1.00 0.00 N ATOM 521 CA ALA A 31 4.303 6.101 -9.913 1.00 0.00 C ATOM 522 C ALA A 31 4.955 4.837 -10.467 1.00 0.00 C ATOM 523 O ALA A 31 4.908 3.799 -9.808 1.00 0.00 O ATOM 524 CB ALA A 31 5.157 6.728 -8.810 1.00 0.00 C ATOM 0 H ALA A 31 3.019 4.813 -8.896 1.00 0.00 H new ATOM 0 HA ALA A 31 4.195 6.829 -10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.127 7.013 -9.218 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.654 7.613 -8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.299 6.006 -8.006 1.00 0.00 H new ATOM 530 N GLY A 32 5.522 4.888 -11.673 1.00 0.00 N ATOM 531 CA GLY A 32 5.800 3.689 -12.452 1.00 0.00 C ATOM 532 C GLY A 32 6.158 4.013 -13.896 1.00 0.00 C ATOM 533 O GLY A 32 6.407 5.173 -14.225 1.00 0.00 O ATOM 0 H GLY A 32 5.798 5.756 -12.131 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.620 3.140 -11.990 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.928 3.035 -12.433 1.00 0.00 H new ATOM 537 N TRP A 33 6.142 3.012 -14.777 1.00 0.00 N ATOM 538 CA TRP A 33 6.386 3.187 -16.201 1.00 0.00 C ATOM 539 C TRP A 33 5.394 2.408 -17.065 1.00 0.00 C ATOM 540 O TRP A 33 4.664 1.541 -16.574 1.00 0.00 O ATOM 541 CB TRP A 33 7.846 2.862 -16.558 1.00 0.00 C ATOM 542 CG TRP A 33 8.408 1.526 -16.163 1.00 0.00 C ATOM 543 CD1 TRP A 33 9.459 1.381 -15.328 1.00 0.00 C ATOM 544 CD2 TRP A 33 8.054 0.163 -16.587 1.00 0.00 C ATOM 545 NE1 TRP A 33 9.800 0.054 -15.227 1.00 0.00 N ATOM 546 CE2 TRP A 33 8.973 -0.747 -15.979 1.00 0.00 C ATOM 547 CE3 TRP A 33 7.074 -0.418 -17.421 1.00 0.00 C ATOM 548 CZ2 TRP A 33 8.925 -2.133 -16.195 1.00 0.00 C ATOM 549 CZ3 TRP A 33 6.975 -1.809 -17.598 1.00 0.00 C ATOM 550 CH2 TRP A 33 7.901 -2.672 -16.991 1.00 0.00 C ATOM 0 H TRP A 33 5.956 2.044 -14.513 1.00 0.00 H new ATOM 0 HA TRP A 33 6.220 4.240 -16.428 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.950 2.957 -17.639 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.475 3.630 -16.108 1.00 0.00 H new ATOM 0 HD1 TRP A 33 9.958 2.190 -14.815 1.00 0.00 H new ATOM 0 HE1 TRP A 33 10.574 -0.295 -14.662 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.379 0.226 -17.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.669 -2.779 -15.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 6.181 -2.217 -18.205 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.827 -3.740 -17.135 1.00 0.00 H new ATOM 561 N VAL A 34 5.425 2.706 -18.369 1.00 0.00 N ATOM 562 CA VAL A 34 4.728 1.958 -19.425 1.00 0.00 C ATOM 563 C VAL A 34 5.685 1.706 -20.600 1.00 0.00 C ATOM 564 O VAL A 34 6.578 2.519 -20.854 1.00 0.00 O ATOM 565 CB VAL A 34 3.417 2.672 -19.820 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.664 4.059 -20.421 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.577 1.838 -20.799 1.00 0.00 C ATOM 0 H VAL A 34 5.953 3.500 -18.731 1.00 0.00 H new ATOM 0 HA VAL A 34 4.426 0.977 -19.058 1.00 0.00 H new ATOM 0 HB VAL A 34 2.860 2.792 -18.890 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.710 4.518 -20.681 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.181 4.684 -19.693 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.277 3.963 -21.317 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.665 2.380 -21.049 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.151 1.656 -21.708 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.318 0.885 -20.336 1.00 0.00 H new ATOM 577 N LYS A 35 5.486 0.593 -21.318 1.00 0.00 N ATOM 578 CA LYS A 35 6.251 0.175 -22.495 1.00 0.00 C ATOM 579 C LYS A 35 5.292 -0.464 -23.496 1.00 0.00 C ATOM 580 O LYS A 35 4.359 -1.154 -23.083 1.00 0.00 O ATOM 581 CB LYS A 35 7.253 -0.936 -22.124 1.00 0.00 C ATOM 582 CG LYS A 35 8.235 -0.626 -20.985 1.00 0.00 C ATOM 583 CD LYS A 35 9.202 -1.789 -20.706 1.00 0.00 C ATOM 584 CE LYS A 35 8.440 -3.097 -20.442 1.00 0.00 C ATOM 585 NZ LYS A 35 9.305 -4.212 -19.994 1.00 0.00 N ATOM 0 H LYS A 35 4.750 -0.072 -21.080 1.00 0.00 H new ATOM 0 HA LYS A 35 6.764 1.050 -22.893 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.688 -1.828 -21.853 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.831 -1.184 -23.014 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.808 0.266 -21.237 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.674 -0.399 -20.078 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.871 -1.921 -21.556 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.825 -1.548 -19.845 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.676 -2.915 -19.686 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.922 -3.395 -21.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.714 -5.029 -19.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.952 -4.480 -20.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.857 -3.912 -19.166 1.00 0.00 H new ATOM 599 N ASN A 36 5.584 -0.374 -24.792 1.00 0.00 N ATOM 600 CA ASN A 36 5.185 -1.433 -25.718 1.00 0.00 C ATOM 601 C ASN A 36 6.225 -2.553 -25.601 1.00 0.00 C ATOM 602 O ASN A 36 7.424 -2.276 -25.655 1.00 0.00 O ATOM 603 CB ASN A 36 5.125 -0.885 -27.151 1.00 0.00 C ATOM 604 CG ASN A 36 5.087 -2.006 -28.186 1.00 0.00 C ATOM 605 OD1 ASN A 36 6.024 -2.172 -28.959 1.00 0.00 O ATOM 606 ND2 ASN A 36 4.030 -2.801 -28.219 1.00 0.00 N ATOM 0 H ASN A 36 6.085 0.405 -25.219 1.00 0.00 H new ATOM 0 HA ASN A 36 4.193 -1.814 -25.475 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.241 -0.257 -27.263 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.992 -0.251 -27.334 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.987 -3.565 -28.894 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.258 -2.650 -27.569 1.00 0.00 H new ATOM 613 N ARG A 37 5.796 -3.807 -25.438 1.00 0.00 N ATOM 614 CA ARG A 37 6.687 -4.955 -25.598 1.00 0.00 C ATOM 615 C ARG A 37 6.850 -5.175 -27.098 1.00 0.00 C ATOM 616 O ARG A 37 5.857 -5.160 -27.824 1.00 0.00 O ATOM 617 CB ARG A 37 6.095 -6.213 -24.926 1.00 0.00 C ATOM 618 CG ARG A 37 6.219 -6.172 -23.395 1.00 0.00 C ATOM 619 CD ARG A 37 5.697 -7.462 -22.734 1.00 0.00 C ATOM 620 NE ARG A 37 6.306 -7.661 -21.408 1.00 0.00 N ATOM 621 CZ ARG A 37 6.714 -8.810 -20.859 1.00 0.00 C ATOM 622 NH1 ARG A 37 6.632 -9.962 -21.521 1.00 0.00 N ATOM 623 NH2 ARG A 37 7.208 -8.784 -19.627 1.00 0.00 N ATOM 0 H ARG A 37 4.836 -4.052 -25.195 1.00 0.00 H new ATOM 0 HA ARG A 37 7.649 -4.766 -25.121 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.044 -6.308 -25.200 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.605 -7.098 -25.306 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.263 -6.022 -23.121 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.662 -5.318 -23.010 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.613 -7.411 -22.636 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.920 -8.317 -23.372 1.00 0.00 H new ATOM 0 HE ARG A 37 6.432 -6.823 -20.841 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.252 -9.980 -22.467 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.949 -10.826 -21.082 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.270 -7.901 -19.121 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.526 -9.647 -19.187 1.00 0.00 H new ATOM 637 N ASP A 38 8.073 -5.445 -27.559 1.00 0.00 N ATOM 638 CA ASP A 38 8.357 -5.719 -28.975 1.00 0.00 C ATOM 639 C ASP A 38 7.565 -6.927 -29.497 1.00 0.00 C ATOM 640 O ASP A 38 7.259 -7.017 -30.686 1.00 0.00 O ATOM 641 CB ASP A 38 9.860 -5.950 -29.164 1.00 0.00 C ATOM 642 CG ASP A 38 10.205 -6.272 -30.628 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.156 -5.357 -31.482 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.572 -7.431 -30.927 1.00 0.00 O ATOM 0 H ASP A 38 8.899 -5.481 -26.961 1.00 0.00 H new ATOM 0 HA ASP A 38 8.042 -4.850 -29.553 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.408 -5.062 -28.848 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.186 -6.770 -28.524 1.00 0.00 H new ATOM 649 N ASP A 39 7.181 -7.827 -28.588 1.00 0.00 N ATOM 650 CA ASP A 39 6.292 -8.963 -28.828 1.00 0.00 C ATOM 651 C ASP A 39 4.908 -8.539 -29.360 1.00 0.00 C ATOM 652 O ASP A 39 4.288 -9.303 -30.103 1.00 0.00 O ATOM 653 CB ASP A 39 6.166 -9.749 -27.506 1.00 0.00 C ATOM 654 CG ASP A 39 4.773 -10.347 -27.296 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.892 -9.614 -26.798 1.00 0.00 O ATOM 656 OD2 ASP A 39 4.539 -11.527 -27.637 1.00 0.00 O ATOM 0 H ASP A 39 7.497 -7.780 -27.619 1.00 0.00 H new ATOM 0 HA ASP A 39 6.721 -9.590 -29.609 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.905 -10.550 -27.494 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.401 -9.087 -26.672 1.00 0.00 H new ATOM 661 N GLY A 40 4.433 -7.333 -29.025 1.00 0.00 N ATOM 662 CA GLY A 40 3.172 -6.764 -29.494 1.00 0.00 C ATOM 663 C GLY A 40 2.290 -6.280 -28.341 1.00 0.00 C ATOM 664 O GLY A 40 1.543 -5.314 -28.508 1.00 0.00 O ATOM 0 H GLY A 40 4.938 -6.707 -28.397 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.379 -5.930 -30.165 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.631 -7.512 -30.073 1.00 0.00 H new ATOM 668 N ARG A 41 2.374 -6.931 -27.174 1.00 0.00 N ATOM 669 CA ARG A 41 1.660 -6.529 -25.957 1.00 0.00 C ATOM 670 C ARG A 41 2.130 -5.154 -25.467 1.00 0.00 C ATOM 671 O ARG A 41 3.128 -4.605 -25.936 1.00 0.00 O ATOM 672 CB ARG A 41 1.863 -7.623 -24.885 1.00 0.00 C ATOM 673 CG ARG A 41 0.751 -8.685 -24.791 1.00 0.00 C ATOM 674 CD ARG A 41 0.201 -9.244 -26.115 1.00 0.00 C ATOM 675 NE ARG A 41 1.184 -10.005 -26.894 1.00 0.00 N ATOM 676 CZ ARG A 41 0.915 -10.777 -27.952 1.00 0.00 C ATOM 677 NH1 ARG A 41 -0.314 -10.857 -28.457 1.00 0.00 N ATOM 678 NH2 ARG A 41 1.894 -11.479 -28.506 1.00 0.00 N ATOM 0 H ARG A 41 2.949 -7.764 -27.048 1.00 0.00 H new ATOM 0 HA ARG A 41 0.595 -6.431 -26.169 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.807 -8.130 -25.085 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.960 -7.139 -23.913 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.130 -9.521 -24.203 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.081 -8.255 -24.234 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.653 -9.886 -25.900 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.167 -8.417 -26.722 1.00 0.00 H new ATOM 0 HE ARG A 41 2.159 -9.939 -26.603 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.074 -10.323 -28.036 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.496 -11.453 -29.265 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.839 -11.426 -28.125 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.703 -12.072 -29.314 1.00 0.00 H new ATOM 692 N VAL A 42 1.448 -4.608 -24.467 1.00 0.00 N ATOM 693 CA VAL A 42 1.840 -3.389 -23.763 1.00 0.00 C ATOM 694 C VAL A 42 1.960 -3.770 -22.295 1.00 0.00 C ATOM 695 O VAL A 42 1.140 -4.543 -21.804 1.00 0.00 O ATOM 696 CB VAL A 42 0.788 -2.297 -24.036 1.00 0.00 C ATOM 697 CG1 VAL A 42 0.873 -1.105 -23.069 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.933 -1.794 -25.478 1.00 0.00 C ATOM 0 H VAL A 42 0.581 -5.012 -24.112 1.00 0.00 H new ATOM 0 HA VAL A 42 2.793 -2.978 -24.097 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.187 -2.759 -23.879 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.103 -0.376 -23.321 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.722 -1.454 -22.047 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.855 -0.639 -23.152 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.188 -1.022 -25.670 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.931 -1.380 -25.620 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.783 -2.623 -26.169 1.00 0.00 H new ATOM 708 N GLU A 43 2.964 -3.240 -21.599 1.00 0.00 N ATOM 709 CA GLU A 43 3.280 -3.596 -20.224 1.00 0.00 C ATOM 710 C GLU A 43 3.350 -2.323 -19.391 1.00 0.00 C ATOM 711 O GLU A 43 3.830 -1.291 -19.865 1.00 0.00 O ATOM 712 CB GLU A 43 4.606 -4.370 -20.181 1.00 0.00 C ATOM 713 CG GLU A 43 4.884 -4.964 -18.788 1.00 0.00 C ATOM 714 CD GLU A 43 6.118 -5.869 -18.737 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.044 -5.711 -19.563 1.00 0.00 O ATOM 716 OE2 GLU A 43 6.156 -6.811 -17.915 1.00 0.00 O ATOM 0 H GLU A 43 3.592 -2.536 -21.987 1.00 0.00 H new ATOM 0 HA GLU A 43 2.505 -4.241 -19.810 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.581 -5.172 -20.919 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.423 -3.705 -20.461 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.013 -4.150 -18.075 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.013 -5.535 -18.466 1.00 0.00 H new ATOM 723 N ILE A 44 2.892 -2.401 -18.144 1.00 0.00 N ATOM 724 CA ILE A 44 2.799 -1.292 -17.213 1.00 0.00 C ATOM 725 C ILE A 44 3.300 -1.826 -15.868 1.00 0.00 C ATOM 726 O ILE A 44 3.022 -2.980 -15.524 1.00 0.00 O ATOM 727 CB ILE A 44 1.331 -0.802 -17.098 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.485 -0.905 -18.397 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.339 0.641 -16.563 1.00 0.00 C ATOM 730 CD1 ILE A 44 -0.987 -0.510 -18.227 1.00 0.00 C ATOM 0 H ILE A 44 2.563 -3.279 -17.743 1.00 0.00 H new ATOM 0 HA ILE A 44 3.392 -0.440 -17.545 1.00 0.00 H new ATOM 0 HB ILE A 44 0.833 -1.483 -16.408 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.934 -0.269 -19.160 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.533 -1.929 -18.767 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.314 1.002 -16.476 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.816 0.663 -15.583 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.892 1.281 -17.251 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.503 -0.611 -19.182 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.456 -1.162 -17.490 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.049 0.524 -17.888 1.00 0.00 H new ATOM 742 N LEU A 45 4.011 -1.011 -15.091 1.00 0.00 N ATOM 743 CA LEU A 45 4.544 -1.417 -13.790 1.00 0.00 C ATOM 744 C LEU A 45 4.595 -0.180 -12.906 1.00 0.00 C ATOM 745 O LEU A 45 5.144 0.826 -13.346 1.00 0.00 O ATOM 746 CB LEU A 45 5.932 -2.039 -14.016 1.00 0.00 C ATOM 747 CG LEU A 45 6.662 -2.486 -12.735 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.588 -3.666 -13.055 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.522 -1.368 -12.129 1.00 0.00 C ATOM 0 H LEU A 45 4.235 -0.049 -15.345 1.00 0.00 H new ATOM 0 HA LEU A 45 3.922 -2.163 -13.295 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.824 -2.901 -14.674 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.557 -1.315 -14.539 1.00 0.00 H new ATOM 0 HG LEU A 45 5.892 -2.764 -12.015 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.103 -3.981 -12.148 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.998 -4.496 -13.444 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.321 -3.361 -13.802 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.015 -1.735 -11.229 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.275 -1.055 -12.853 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.888 -0.518 -11.875 1.00 0.00 H new ATOM 761 N ALA A 46 4.025 -0.220 -11.696 1.00 0.00 N ATOM 762 CA ALA A 46 3.941 0.947 -10.817 1.00 0.00 C ATOM 763 C ALA A 46 3.794 0.531 -9.357 1.00 0.00 C ATOM 764 O ALA A 46 3.287 -0.556 -9.082 1.00 0.00 O ATOM 765 CB ALA A 46 2.719 1.795 -11.200 1.00 0.00 C ATOM 0 H ALA A 46 3.610 -1.064 -11.301 1.00 0.00 H new ATOM 0 HA ALA A 46 4.862 1.518 -10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.659 2.663 -10.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.816 2.127 -12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.814 1.197 -11.095 1.00 0.00 H new ATOM 771 N GLU A 47 4.167 1.419 -8.433 1.00 0.00 N ATOM 772 CA GLU A 47 3.915 1.299 -6.999 1.00 0.00 C ATOM 773 C GLU A 47 2.687 2.138 -6.617 1.00 0.00 C ATOM 774 O GLU A 47 2.406 3.166 -7.244 1.00 0.00 O ATOM 775 CB GLU A 47 5.167 1.670 -6.176 1.00 0.00 C ATOM 776 CG GLU A 47 5.622 3.131 -6.326 1.00 0.00 C ATOM 777 CD GLU A 47 6.839 3.426 -5.439 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.950 2.968 -5.789 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.677 4.088 -4.387 1.00 0.00 O ATOM 0 H GLU A 47 4.671 2.272 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 47 3.695 0.259 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.965 1.472 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.987 1.016 -6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.871 3.332 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.803 3.799 -6.059 1.00 0.00 H new ATOM 786 N GLY A 48 1.965 1.707 -5.579 1.00 0.00 N ATOM 787 CA GLY A 48 0.812 2.390 -5.004 1.00 0.00 C ATOM 788 C GLY A 48 0.094 1.502 -3.984 1.00 0.00 C ATOM 789 O GLY A 48 0.478 0.344 -3.810 1.00 0.00 O ATOM 0 H GLY A 48 2.181 0.834 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.136 3.313 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.119 2.670 -5.797 1.00 0.00 H new ATOM 793 N PRO A 49 -0.919 2.018 -3.270 1.00 0.00 N ATOM 794 CA PRO A 49 -1.740 1.213 -2.374 1.00 0.00 C ATOM 795 C PRO A 49 -2.671 0.301 -3.181 1.00 0.00 C ATOM 796 O PRO A 49 -3.026 0.618 -4.317 1.00 0.00 O ATOM 797 CB PRO A 49 -2.498 2.220 -1.507 1.00 0.00 C ATOM 798 CG PRO A 49 -2.618 3.451 -2.404 1.00 0.00 C ATOM 799 CD PRO A 49 -1.348 3.408 -3.258 1.00 0.00 C ATOM 0 HA PRO A 49 -1.152 0.542 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.477 1.840 -1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.956 2.445 -0.588 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.516 3.410 -3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.675 4.368 -1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.546 3.764 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.574 4.051 -2.839 1.00 0.00 H new ATOM 807 N GLU A 50 -3.103 -0.815 -2.589 1.00 0.00 N ATOM 808 CA GLU A 50 -3.856 -1.860 -3.286 1.00 0.00 C ATOM 809 C GLU A 50 -5.116 -1.302 -3.959 1.00 0.00 C ATOM 810 O GLU A 50 -5.396 -1.637 -5.109 1.00 0.00 O ATOM 811 CB GLU A 50 -4.197 -2.983 -2.294 1.00 0.00 C ATOM 812 CG GLU A 50 -4.806 -4.216 -2.977 1.00 0.00 C ATOM 813 CD GLU A 50 -5.155 -5.309 -1.952 1.00 0.00 C ATOM 814 OE1 GLU A 50 -6.279 -5.296 -1.399 1.00 0.00 O ATOM 815 OE2 GLU A 50 -4.320 -6.206 -1.695 1.00 0.00 O ATOM 0 H GLU A 50 -2.938 -1.020 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.236 -2.266 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.293 -3.278 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.896 -2.603 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.704 -3.926 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.103 -4.613 -3.709 1.00 0.00 H new ATOM 822 N ASN A 51 -5.850 -0.413 -3.279 1.00 0.00 N ATOM 823 CA ASN A 51 -7.061 0.188 -3.838 1.00 0.00 C ATOM 824 C ASN A 51 -6.753 1.017 -5.086 1.00 0.00 C ATOM 825 O ASN A 51 -7.492 0.940 -6.066 1.00 0.00 O ATOM 826 CB ASN A 51 -7.763 1.064 -2.790 1.00 0.00 C ATOM 827 CG ASN A 51 -8.953 1.797 -3.405 1.00 0.00 C ATOM 828 OD1 ASN A 51 -8.872 2.983 -3.713 1.00 0.00 O ATOM 829 ND2 ASN A 51 -10.071 1.118 -3.607 1.00 0.00 N ATOM 0 H ASN A 51 -5.623 -0.095 -2.337 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.725 -0.627 -4.127 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.101 0.445 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.057 1.787 -2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.880 1.579 -4.023 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.124 0.133 -3.346 1.00 0.00 H new ATOM 836 N ALA A 52 -5.663 1.788 -5.072 1.00 0.00 N ATOM 837 CA ALA A 52 -5.248 2.595 -6.213 1.00 0.00 C ATOM 838 C ALA A 52 -4.836 1.690 -7.373 1.00 0.00 C ATOM 839 O ALA A 52 -5.261 1.913 -8.506 1.00 0.00 O ATOM 840 CB ALA A 52 -4.085 3.502 -5.798 1.00 0.00 C ATOM 0 H ALA A 52 -5.044 1.868 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.081 3.215 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.773 4.106 -6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.405 4.156 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.248 2.890 -5.462 1.00 0.00 H new ATOM 846 N LEU A 53 -4.043 0.655 -7.080 1.00 0.00 N ATOM 847 CA LEU A 53 -3.562 -0.307 -8.067 1.00 0.00 C ATOM 848 C LEU A 53 -4.745 -1.009 -8.739 1.00 0.00 C ATOM 849 O LEU A 53 -4.791 -1.118 -9.963 1.00 0.00 O ATOM 850 CB LEU A 53 -2.615 -1.321 -7.392 1.00 0.00 C ATOM 851 CG LEU A 53 -1.283 -0.745 -6.863 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.568 -1.818 -6.036 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.321 -0.265 -7.953 1.00 0.00 C ATOM 0 H LEU A 53 -3.714 0.462 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.002 0.217 -8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.144 -1.786 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.389 -2.111 -8.108 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.551 0.130 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.374 -1.419 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.199 -2.112 -5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.369 -2.687 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.587 0.123 -7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.067 -1.099 -8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.797 0.523 -8.537 1.00 0.00 H new ATOM 865 N GLN A 54 -5.733 -1.449 -7.962 1.00 0.00 N ATOM 866 CA GLN A 54 -6.904 -2.135 -8.488 1.00 0.00 C ATOM 867 C GLN A 54 -7.826 -1.189 -9.258 1.00 0.00 C ATOM 868 O GLN A 54 -8.305 -1.552 -10.332 1.00 0.00 O ATOM 869 CB GLN A 54 -7.654 -2.845 -7.348 1.00 0.00 C ATOM 870 CG GLN A 54 -6.921 -4.112 -6.875 1.00 0.00 C ATOM 871 CD GLN A 54 -6.903 -5.203 -7.951 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.943 -5.623 -8.453 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.738 -5.681 -8.351 1.00 0.00 N ATOM 0 H GLN A 54 -5.741 -1.338 -6.948 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.563 -2.884 -9.202 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.770 -2.159 -6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.656 -3.111 -7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.897 -3.857 -6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.405 -4.497 -5.977 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.874 -5.333 -7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.703 -6.398 -9.076 1.00 0.00 H new ATOM 882 N SER A 55 -8.039 0.032 -8.768 1.00 0.00 N ATOM 883 CA SER A 55 -8.840 1.029 -9.480 1.00 0.00 C ATOM 884 C SER A 55 -8.211 1.330 -10.845 1.00 0.00 C ATOM 885 O SER A 55 -8.911 1.431 -11.854 1.00 0.00 O ATOM 886 CB SER A 55 -8.968 2.309 -8.646 1.00 0.00 C ATOM 887 OG SER A 55 -9.547 2.046 -7.382 1.00 0.00 O ATOM 0 H SER A 55 -7.666 0.356 -7.876 1.00 0.00 H new ATOM 0 HA SER A 55 -9.841 0.628 -9.640 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.984 2.757 -8.511 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.578 3.036 -9.183 1.00 0.00 H new ATOM 0 HG SER A 55 -8.952 1.464 -6.865 1.00 0.00 H new ATOM 893 N PHE A 56 -6.879 1.419 -10.891 1.00 0.00 N ATOM 894 CA PHE A 56 -6.135 1.554 -12.123 1.00 0.00 C ATOM 895 C PHE A 56 -6.386 0.355 -13.041 1.00 0.00 C ATOM 896 O PHE A 56 -6.714 0.573 -14.204 1.00 0.00 O ATOM 897 CB PHE A 56 -4.652 1.735 -11.793 1.00 0.00 C ATOM 898 CG PHE A 56 -3.767 1.805 -13.011 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.373 0.628 -13.679 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.323 3.054 -13.467 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.570 0.711 -14.828 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.483 3.125 -14.583 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.134 1.964 -15.287 1.00 0.00 C ATOM 0 H PHE A 56 -6.290 1.398 -10.058 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.473 2.436 -12.667 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.527 2.648 -11.210 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.325 0.907 -11.164 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.688 -0.336 -13.308 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.628 3.957 -12.959 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.288 -0.187 -15.357 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.100 4.082 -14.905 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.531 2.033 -16.180 1.00 0.00 H new ATOM 913 N VAL A 57 -6.279 -0.888 -12.553 1.00 0.00 N ATOM 914 CA VAL A 57 -6.542 -2.075 -13.375 1.00 0.00 C ATOM 915 C VAL A 57 -7.933 -1.969 -14.016 1.00 0.00 C ATOM 916 O VAL A 57 -8.062 -2.206 -15.219 1.00 0.00 O ATOM 917 CB VAL A 57 -6.365 -3.364 -12.533 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.894 -4.629 -13.227 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.889 -3.620 -12.192 1.00 0.00 C ATOM 0 H VAL A 57 -6.012 -1.097 -11.591 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.817 -2.130 -14.187 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.950 -3.180 -11.632 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.737 -5.492 -12.580 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.959 -4.515 -13.428 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.362 -4.778 -14.166 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.805 -4.532 -11.601 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.317 -3.730 -13.113 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.497 -2.779 -11.620 1.00 0.00 H new ATOM 929 N GLU A 58 -8.957 -1.558 -13.258 1.00 0.00 N ATOM 930 CA GLU A 58 -10.302 -1.382 -13.798 1.00 0.00 C ATOM 931 C GLU A 58 -10.327 -0.301 -14.880 1.00 0.00 C ATOM 932 O GLU A 58 -10.959 -0.493 -15.918 1.00 0.00 O ATOM 933 CB GLU A 58 -11.312 -1.056 -12.686 1.00 0.00 C ATOM 934 CG GLU A 58 -11.503 -2.226 -11.715 1.00 0.00 C ATOM 935 CD GLU A 58 -12.621 -1.939 -10.697 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.354 -1.333 -9.635 1.00 0.00 O ATOM 937 OE2 GLU A 58 -13.786 -2.336 -10.940 1.00 0.00 O ATOM 0 H GLU A 58 -8.874 -1.341 -12.265 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.595 -2.327 -14.255 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.972 -0.180 -12.134 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.272 -0.797 -13.134 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.743 -3.129 -12.275 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.569 -2.418 -11.187 1.00 0.00 H new ATOM 944 N ALA A 59 -9.616 0.808 -14.670 1.00 0.00 N ATOM 945 CA ALA A 59 -9.519 1.899 -15.636 1.00 0.00 C ATOM 946 C ALA A 59 -8.903 1.421 -16.957 1.00 0.00 C ATOM 947 O ALA A 59 -9.438 1.743 -18.019 1.00 0.00 O ATOM 948 CB ALA A 59 -8.724 3.068 -15.038 1.00 0.00 C ATOM 0 H ALA A 59 -9.086 0.974 -13.814 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.526 2.250 -15.860 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.659 3.875 -15.768 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.228 3.430 -14.141 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.720 2.731 -14.779 1.00 0.00 H new ATOM 954 N VAL A 60 -7.821 0.629 -16.912 1.00 0.00 N ATOM 955 CA VAL A 60 -7.226 0.072 -18.128 1.00 0.00 C ATOM 956 C VAL A 60 -8.240 -0.871 -18.784 1.00 0.00 C ATOM 957 O VAL A 60 -8.570 -0.696 -19.957 1.00 0.00 O ATOM 958 CB VAL A 60 -5.887 -0.659 -17.860 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.187 -0.988 -19.187 1.00 0.00 C ATOM 960 CG2 VAL A 60 -4.894 0.167 -17.038 1.00 0.00 C ATOM 0 H VAL A 60 -7.345 0.363 -16.050 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.988 0.897 -18.800 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.156 -1.554 -17.299 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.247 -1.502 -18.985 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.830 -1.631 -19.788 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.986 -0.065 -19.731 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.979 -0.407 -16.889 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.661 1.090 -17.569 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.334 0.407 -16.070 1.00 0.00 H new ATOM 970 N LYS A 61 -8.763 -1.844 -18.027 1.00 0.00 N ATOM 971 CA LYS A 61 -9.644 -2.885 -18.551 1.00 0.00 C ATOM 972 C LYS A 61 -10.871 -2.275 -19.228 1.00 0.00 C ATOM 973 O LYS A 61 -11.264 -2.725 -20.303 1.00 0.00 O ATOM 974 CB LYS A 61 -10.026 -3.836 -17.402 1.00 0.00 C ATOM 975 CG LYS A 61 -10.884 -5.026 -17.862 1.00 0.00 C ATOM 976 CD LYS A 61 -11.171 -5.973 -16.686 1.00 0.00 C ATOM 977 CE LYS A 61 -12.179 -7.079 -17.039 1.00 0.00 C ATOM 978 NZ LYS A 61 -11.658 -8.066 -18.020 1.00 0.00 N ATOM 0 H LYS A 61 -8.583 -1.928 -17.027 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.124 -3.458 -19.319 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.117 -4.212 -16.932 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.570 -3.276 -16.641 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.823 -4.664 -18.282 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.368 -5.568 -18.655 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.237 -6.431 -16.359 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.554 -5.394 -15.846 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.466 -7.602 -16.127 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.082 -6.621 -17.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.387 -8.782 -18.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.409 -7.578 -18.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.812 -8.529 -17.631 1.00 0.00 H new ATOM 992 N ASN A 62 -11.460 -1.242 -18.621 1.00 0.00 N ATOM 993 CA ASN A 62 -12.638 -0.576 -19.159 1.00 0.00 C ATOM 994 C ASN A 62 -12.325 0.240 -20.418 1.00 0.00 C ATOM 995 O ASN A 62 -13.239 0.491 -21.204 1.00 0.00 O ATOM 996 CB ASN A 62 -13.260 0.329 -18.087 1.00 0.00 C ATOM 997 CG ASN A 62 -14.605 0.888 -18.547 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.546 0.141 -18.799 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.734 2.198 -18.650 1.00 0.00 N ATOM 0 H ASN A 62 -11.129 -0.847 -17.741 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.347 -1.352 -19.447 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.394 -0.236 -17.164 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.580 1.150 -17.862 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.624 2.601 -18.942 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.944 2.807 -18.437 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.064 0.649 -20.630 1.00 0.00 N ATOM 1007 CA GLY A 63 -10.665 1.512 -21.740 1.00 0.00 C ATOM 1008 C GLY A 63 -11.539 2.771 -21.812 1.00 0.00 C ATOM 1009 O GLY A 63 -12.086 3.089 -22.869 1.00 0.00 O ATOM 0 H GLY A 63 -10.287 0.383 -20.025 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.620 1.799 -21.622 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.741 0.961 -22.677 1.00 0.00 H new ATOM 1013 N SER A 64 -11.762 3.419 -20.663 1.00 0.00 N ATOM 1014 CA SER A 64 -12.849 4.374 -20.464 1.00 0.00 C ATOM 1015 C SER A 64 -12.961 5.482 -21.536 1.00 0.00 C ATOM 1016 O SER A 64 -14.060 5.643 -22.074 1.00 0.00 O ATOM 1017 CB SER A 64 -12.779 4.933 -19.034 1.00 0.00 C ATOM 1018 OG SER A 64 -12.499 3.890 -18.110 1.00 0.00 O ATOM 0 H SER A 64 -11.181 3.290 -19.835 1.00 0.00 H new ATOM 0 HA SER A 64 -13.779 3.821 -20.594 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.006 5.699 -18.973 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.724 5.412 -18.777 1.00 0.00 H new ATOM 0 HG SER A 64 -12.455 4.259 -17.203 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.899 6.241 -21.884 1.00 0.00 N ATOM 1025 CA PRO A 65 -12.022 7.328 -22.852 1.00 0.00 C ATOM 1026 C PRO A 65 -11.974 6.827 -24.305 1.00 0.00 C ATOM 1027 O PRO A 65 -12.726 7.323 -25.146 1.00 0.00 O ATOM 1028 CB PRO A 65 -10.855 8.266 -22.538 1.00 0.00 C ATOM 1029 CG PRO A 65 -9.774 7.329 -22.001 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.573 6.240 -21.282 1.00 0.00 C ATOM 0 HA PRO A 65 -12.986 7.829 -22.767 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -10.518 8.798 -23.428 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.134 9.020 -21.802 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.165 6.916 -22.805 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.096 7.845 -21.321 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.095 5.267 -21.397 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.631 6.443 -20.213 1.00 0.00 H new ATOM 1038 N PHE A 66 -11.100 5.862 -24.605 1.00 0.00 N ATOM 1039 CA PHE A 66 -10.877 5.261 -25.917 1.00 0.00 C ATOM 1040 C PHE A 66 -10.074 3.968 -25.713 1.00 0.00 C ATOM 1041 O PHE A 66 -9.578 3.723 -24.606 1.00 0.00 O ATOM 1042 CB PHE A 66 -10.118 6.234 -26.847 1.00 0.00 C ATOM 1043 CG PHE A 66 -8.712 6.607 -26.401 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -7.615 5.805 -26.769 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -8.496 7.761 -25.624 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -6.318 6.136 -26.341 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -7.199 8.095 -25.198 1.00 0.00 C ATOM 1048 CZ PHE A 66 -6.109 7.282 -25.553 1.00 0.00 C ATOM 0 H PHE A 66 -10.493 5.457 -23.892 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.832 5.040 -26.393 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.059 5.788 -27.840 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.704 7.148 -26.943 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.771 4.931 -27.384 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -9.330 8.392 -25.354 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.482 5.511 -26.617 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.040 8.978 -24.597 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.113 7.537 -25.221 1.00 0.00 H new ATOM 1058 N SER A 67 -9.892 3.190 -26.793 1.00 0.00 N ATOM 1059 CA SER A 67 -9.217 1.890 -26.792 1.00 0.00 C ATOM 1060 C SER A 67 -9.943 0.848 -25.925 1.00 0.00 C ATOM 1061 O SER A 67 -10.919 1.164 -25.241 1.00 0.00 O ATOM 1062 CB SER A 67 -7.739 2.081 -26.425 1.00 0.00 C ATOM 1063 OG SER A 67 -6.994 2.424 -27.584 1.00 0.00 O ATOM 0 H SER A 67 -10.223 3.461 -27.719 1.00 0.00 H new ATOM 0 HA SER A 67 -9.255 1.471 -27.798 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.640 2.864 -25.673 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.343 1.166 -25.985 1.00 0.00 H new ATOM 0 HG SER A 67 -6.052 2.546 -27.343 1.00 0.00 H new ATOM 1069 N LYS A 68 -9.531 -0.425 -26.006 1.00 0.00 N ATOM 1070 CA LYS A 68 -10.100 -1.498 -25.187 1.00 0.00 C ATOM 1071 C LYS A 68 -9.143 -2.675 -25.170 1.00 0.00 C ATOM 1072 O LYS A 68 -8.563 -3.010 -26.205 1.00 0.00 O ATOM 1073 CB LYS A 68 -11.519 -1.925 -25.641 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.650 -2.823 -26.883 1.00 0.00 C ATOM 1075 CD LYS A 68 -11.175 -2.174 -28.192 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.424 -3.070 -29.417 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.865 -3.219 -29.750 1.00 0.00 N ATOM 0 H LYS A 68 -8.796 -0.737 -26.640 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.225 -1.114 -24.175 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.993 -2.441 -24.806 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.096 -1.018 -25.824 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.079 -3.736 -26.717 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.694 -3.116 -26.995 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.690 -1.223 -28.330 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.110 -1.952 -28.118 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.900 -2.653 -30.277 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.997 -4.055 -29.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.965 -3.791 -30.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.356 -3.690 -28.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.284 -2.280 -29.907 1.00 0.00 H new ATOM 1091 N VAL A 69 -9.019 -3.335 -24.024 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.283 -4.586 -23.959 1.00 0.00 C ATOM 1093 C VAL A 69 -9.190 -5.701 -24.500 1.00 0.00 C ATOM 1094 O VAL A 69 -10.418 -5.620 -24.412 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.769 -4.855 -22.526 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.986 -3.648 -21.984 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.871 -5.223 -21.522 1.00 0.00 C ATOM 0 H VAL A 69 -9.416 -3.026 -23.136 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.388 -4.540 -24.579 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.117 -5.723 -22.622 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.636 -3.865 -20.975 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.131 -3.450 -22.630 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.635 -2.773 -21.963 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.427 -5.396 -20.542 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.590 -4.407 -21.456 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.379 -6.128 -21.855 1.00 0.00 H new ATOM 1107 N THR A 70 -8.579 -6.769 -24.999 1.00 0.00 N ATOM 1108 CA THR A 70 -9.217 -8.050 -25.277 1.00 0.00 C ATOM 1109 C THR A 70 -8.545 -9.149 -24.434 1.00 0.00 C ATOM 1110 O THR A 70 -9.104 -10.237 -24.287 1.00 0.00 O ATOM 1111 CB THR A 70 -9.180 -8.336 -26.791 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.861 -8.252 -27.298 1.00 0.00 O ATOM 1113 CG2 THR A 70 -10.036 -7.329 -27.575 1.00 0.00 C ATOM 0 H THR A 70 -7.586 -6.766 -25.230 1.00 0.00 H new ATOM 0 HA THR A 70 -10.269 -8.026 -24.991 1.00 0.00 H new ATOM 0 HB THR A 70 -9.573 -9.345 -26.919 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.868 -8.440 -28.260 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.987 -7.560 -28.639 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.071 -7.391 -27.238 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.658 -6.321 -27.405 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.388 -8.859 -23.824 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.719 -9.699 -22.840 1.00 0.00 C ATOM 1123 C ASP A 71 -5.958 -8.790 -21.877 1.00 0.00 C ATOM 1124 O ASP A 71 -5.408 -7.765 -22.291 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.749 -10.662 -23.534 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.961 -11.494 -22.510 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -5.591 -12.237 -21.727 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.712 -11.426 -22.504 1.00 0.00 O ATOM 0 H ASP A 71 -6.878 -7.997 -24.015 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.453 -10.293 -22.296 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.304 -11.327 -24.196 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.056 -10.097 -24.158 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.930 -9.155 -20.597 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.223 -8.445 -19.542 1.00 0.00 C ATOM 1135 C ILE A 72 -4.740 -9.496 -18.538 1.00 0.00 C ATOM 1136 O ILE A 72 -5.466 -10.449 -18.236 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.121 -7.341 -18.915 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.394 -6.636 -17.744 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.514 -7.839 -18.476 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.012 -5.289 -17.334 1.00 0.00 C ATOM 0 H ILE A 72 -6.418 -9.984 -20.257 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.357 -7.908 -19.928 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.301 -6.620 -19.712 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.393 -7.300 -16.880 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.353 -6.475 -18.023 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.079 -7.010 -18.049 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.048 -8.235 -19.340 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.401 -8.624 -17.728 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.442 -4.864 -16.508 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.988 -4.604 -18.182 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.045 -5.443 -17.021 1.00 0.00 H new ATOM 1152 N SER A 73 -3.531 -9.305 -18.014 1.00 0.00 N ATOM 1153 CA SER A 73 -2.912 -10.152 -17.004 1.00 0.00 C ATOM 1154 C SER A 73 -2.231 -9.229 -15.997 1.00 0.00 C ATOM 1155 O SER A 73 -1.698 -8.185 -16.383 1.00 0.00 O ATOM 1156 CB SER A 73 -1.893 -11.095 -17.660 1.00 0.00 C ATOM 1157 OG SER A 73 -2.504 -11.920 -18.641 1.00 0.00 O ATOM 0 H SER A 73 -2.935 -8.526 -18.294 1.00 0.00 H new ATOM 0 HA SER A 73 -3.655 -10.773 -16.504 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.097 -10.509 -18.120 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.429 -11.719 -16.896 1.00 0.00 H new ATOM 0 HG SER A 73 -1.829 -12.507 -19.041 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.264 -9.597 -14.716 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.822 -8.752 -13.612 1.00 0.00 C ATOM 1165 C VAL A 74 -1.069 -9.638 -12.614 1.00 0.00 C ATOM 1166 O VAL A 74 -1.462 -10.780 -12.361 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.041 -8.055 -12.954 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.613 -7.061 -11.860 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -3.927 -7.315 -13.973 1.00 0.00 C ATOM 0 H VAL A 74 -2.606 -10.509 -14.413 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.157 -7.964 -13.967 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.623 -8.861 -12.507 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.497 -6.595 -11.425 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.063 -7.591 -11.082 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.975 -6.292 -12.296 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.764 -6.847 -13.455 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.339 -6.549 -14.478 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.306 -8.025 -14.708 1.00 0.00 H new ATOM 1179 N THR A 75 -0.013 -9.084 -12.026 1.00 0.00 N ATOM 1180 CA THR A 75 0.710 -9.608 -10.874 1.00 0.00 C ATOM 1181 C THR A 75 0.820 -8.434 -9.891 1.00 0.00 C ATOM 1182 O THR A 75 0.844 -7.277 -10.322 1.00 0.00 O ATOM 1183 CB THR A 75 2.090 -10.126 -11.334 1.00 0.00 C ATOM 1184 OG1 THR A 75 1.967 -10.987 -12.454 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.831 -10.900 -10.237 1.00 0.00 C ATOM 0 H THR A 75 0.383 -8.206 -12.361 1.00 0.00 H new ATOM 0 HA THR A 75 0.209 -10.450 -10.396 1.00 0.00 H new ATOM 0 HB THR A 75 2.661 -9.234 -11.591 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.855 -11.299 -12.726 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.794 -11.239 -10.618 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.990 -10.250 -9.377 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.236 -11.762 -9.935 1.00 0.00 H new ATOM 1193 N GLU A 76 0.890 -8.695 -8.584 1.00 0.00 N ATOM 1194 CA GLU A 76 1.020 -7.655 -7.570 1.00 0.00 C ATOM 1195 C GLU A 76 2.064 -8.093 -6.545 1.00 0.00 C ATOM 1196 O GLU A 76 2.172 -9.281 -6.217 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.330 -7.365 -6.888 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.365 -6.742 -7.840 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.688 -6.401 -7.130 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -3.276 -7.284 -6.464 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.182 -5.261 -7.283 1.00 0.00 O ATOM 0 H GLU A 76 0.858 -9.640 -8.201 1.00 0.00 H new ATOM 0 HA GLU A 76 1.342 -6.729 -8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.732 -8.293 -6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.168 -6.692 -6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.949 -5.836 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.563 -7.434 -8.659 1.00 0.00 H new ATOM 1208 N SER A 77 2.799 -7.119 -6.017 1.00 0.00 N ATOM 1209 CA SER A 77 3.988 -7.303 -5.194 1.00 0.00 C ATOM 1210 C SER A 77 3.930 -6.309 -4.034 1.00 0.00 C ATOM 1211 O SER A 77 3.237 -5.295 -4.121 1.00 0.00 O ATOM 1212 CB SER A 77 5.240 -7.075 -6.057 1.00 0.00 C ATOM 1213 OG SER A 77 5.222 -7.888 -7.221 1.00 0.00 O ATOM 0 H SER A 77 2.571 -6.135 -6.158 1.00 0.00 H new ATOM 0 HA SER A 77 4.031 -8.315 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.299 -6.025 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.133 -7.295 -5.471 1.00 0.00 H new ATOM 0 HG SER A 77 6.030 -7.720 -7.750 1.00 0.00 H new ATOM 1219 N ARG A 78 4.645 -6.578 -2.939 1.00 0.00 N ATOM 1220 CA ARG A 78 4.718 -5.653 -1.802 1.00 0.00 C ATOM 1221 C ARG A 78 5.913 -4.704 -1.941 1.00 0.00 C ATOM 1222 O ARG A 78 5.916 -3.642 -1.324 1.00 0.00 O ATOM 1223 CB ARG A 78 4.748 -6.439 -0.476 1.00 0.00 C ATOM 1224 CG ARG A 78 3.354 -6.850 0.048 1.00 0.00 C ATOM 1225 CD ARG A 78 2.473 -7.675 -0.905 1.00 0.00 C ATOM 1226 NE ARG A 78 3.108 -8.940 -1.325 1.00 0.00 N ATOM 1227 CZ ARG A 78 2.875 -9.590 -2.474 1.00 0.00 C ATOM 1228 NH1 ARG A 78 1.931 -9.169 -3.314 1.00 0.00 N ATOM 1229 NH2 ARG A 78 3.612 -10.646 -2.798 1.00 0.00 N ATOM 0 H ARG A 78 5.185 -7.434 -2.814 1.00 0.00 H new ATOM 0 HA ARG A 78 3.823 -5.031 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.352 -7.336 -0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.244 -5.833 0.282 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.491 -7.422 0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.810 -5.944 0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.525 -7.896 -0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.244 -7.078 -1.788 1.00 0.00 H new ATOM 0 HE ARG A 78 3.784 -9.356 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.376 -8.344 -3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.763 -9.672 -4.185 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.354 -10.961 -2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.436 -11.142 -3.672 1.00 0.00 H new ATOM 1243 N SER A 79 6.911 -5.053 -2.752 1.00 0.00 N ATOM 1244 CA SER A 79 8.064 -4.209 -3.017 1.00 0.00 C ATOM 1245 C SER A 79 7.628 -2.924 -3.729 1.00 0.00 C ATOM 1246 O SER A 79 6.977 -2.983 -4.772 1.00 0.00 O ATOM 1247 CB SER A 79 9.067 -4.989 -3.880 1.00 0.00 C ATOM 1248 OG SER A 79 9.276 -6.294 -3.354 1.00 0.00 O ATOM 0 H SER A 79 6.937 -5.944 -3.248 1.00 0.00 H new ATOM 0 HA SER A 79 8.538 -3.930 -2.076 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.697 -5.059 -4.903 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.015 -4.452 -3.920 1.00 0.00 H new ATOM 0 HG SER A 79 9.916 -6.775 -3.918 1.00 0.00 H new ATOM 1254 N LEU A 80 8.005 -1.766 -3.190 1.00 0.00 N ATOM 1255 CA LEU A 80 8.064 -0.495 -3.917 1.00 0.00 C ATOM 1256 C LEU A 80 9.189 -0.543 -4.965 1.00 0.00 C ATOM 1257 O LEU A 80 10.002 -1.472 -4.982 1.00 0.00 O ATOM 1258 CB LEU A 80 8.312 0.667 -2.930 1.00 0.00 C ATOM 1259 CG LEU A 80 7.054 1.167 -2.197 1.00 0.00 C ATOM 1260 CD1 LEU A 80 6.367 0.070 -1.378 1.00 0.00 C ATOM 1261 CD2 LEU A 80 7.431 2.330 -1.275 1.00 0.00 C ATOM 0 H LEU A 80 8.285 -1.681 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 80 7.113 -0.332 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.044 0.347 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.754 1.501 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 80 6.345 1.492 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.487 0.482 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.065 -0.743 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.059 -0.311 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.541 2.685 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.167 1.992 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.854 3.142 -1.867 1.00 0.00 H new ATOM 1273 N GLU A 81 9.279 0.494 -5.799 1.00 0.00 N ATOM 1274 CA GLU A 81 10.256 0.648 -6.878 1.00 0.00 C ATOM 1275 C GLU A 81 11.030 1.973 -6.738 1.00 0.00 C ATOM 1276 O GLU A 81 11.796 2.341 -7.633 1.00 0.00 O ATOM 1277 CB GLU A 81 9.518 0.589 -8.228 1.00 0.00 C ATOM 1278 CG GLU A 81 8.919 -0.788 -8.534 1.00 0.00 C ATOM 1279 CD GLU A 81 10.001 -1.860 -8.794 1.00 0.00 C ATOM 1280 OE1 GLU A 81 10.792 -1.716 -9.754 1.00 0.00 O ATOM 1281 OE2 GLU A 81 10.067 -2.862 -8.047 1.00 0.00 O ATOM 0 H GLU A 81 8.642 1.288 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 81 10.984 -0.161 -6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.721 1.333 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.211 0.861 -9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.294 -1.103 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.270 -0.712 -9.406 1.00 0.00 H new ATOM 1288 N GLY A 82 10.824 2.713 -5.642 1.00 0.00 N ATOM 1289 CA GLY A 82 11.402 4.033 -5.417 1.00 0.00 C ATOM 1290 C GLY A 82 10.959 5.052 -6.473 1.00 0.00 C ATOM 1291 O GLY A 82 11.679 6.023 -6.718 1.00 0.00 O ATOM 0 H GLY A 82 10.235 2.398 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.113 4.389 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.489 3.957 -5.423 1.00 0.00 H new ATOM 1295 N HIS A 83 9.822 4.821 -7.136 1.00 0.00 N ATOM 1296 CA HIS A 83 9.317 5.688 -8.190 1.00 0.00 C ATOM 1297 C HIS A 83 8.453 6.779 -7.556 1.00 0.00 C ATOM 1298 O HIS A 83 7.679 6.509 -6.636 1.00 0.00 O ATOM 1299 CB HIS A 83 8.519 4.861 -9.210 1.00 0.00 C ATOM 1300 CG HIS A 83 9.382 4.178 -10.245 1.00 0.00 C ATOM 1301 ND1 HIS A 83 10.531 3.445 -10.034 1.00 0.00 N ATOM 1302 CD2 HIS A 83 9.197 4.246 -11.599 1.00 0.00 C ATOM 1303 CE1 HIS A 83 11.018 3.084 -11.233 1.00 0.00 C ATOM 1304 NE2 HIS A 83 10.249 3.567 -12.227 1.00 0.00 N ATOM 0 H HIS A 83 9.224 4.016 -6.949 1.00 0.00 H new ATOM 0 HA HIS A 83 10.143 6.159 -8.722 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.938 4.107 -8.679 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.807 5.513 -9.716 1.00 0.00 H new ATOM 0 HD1 HIS A 83 10.939 3.217 -9.127 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.377 4.740 -12.100 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.906 2.487 -11.380 1.00 0.00 H new ATOM 1312 N HIS A 84 8.558 8.011 -8.068 1.00 0.00 N ATOM 1313 CA HIS A 84 7.813 9.182 -7.588 1.00 0.00 C ATOM 1314 C HIS A 84 7.185 9.966 -8.761 1.00 0.00 C ATOM 1315 O HIS A 84 6.720 11.094 -8.583 1.00 0.00 O ATOM 1316 CB HIS A 84 8.743 10.081 -6.744 1.00 0.00 C ATOM 1317 CG HIS A 84 9.321 9.469 -5.484 1.00 0.00 C ATOM 1318 ND1 HIS A 84 8.916 8.316 -4.843 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.336 10.001 -4.732 1.00 0.00 C ATOM 1320 CE1 HIS A 84 9.677 8.149 -3.750 1.00 0.00 C ATOM 1321 NE2 HIS A 84 10.560 9.159 -3.632 1.00 0.00 N ATOM 0 H HIS A 84 9.179 8.227 -8.848 1.00 0.00 H new ATOM 0 HA HIS A 84 6.992 8.841 -6.957 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.570 10.403 -7.376 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.188 10.976 -6.464 1.00 0.00 H new ATOM 0 HD1 HIS A 84 8.166 7.696 -5.148 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.872 10.913 -4.949 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.593 7.321 -3.062 1.00 0.00 H new ATOM 1329 N ARG A 85 7.182 9.388 -9.969 1.00 0.00 N ATOM 1330 CA ARG A 85 6.651 9.967 -11.204 1.00 0.00 C ATOM 1331 C ARG A 85 6.151 8.824 -12.085 1.00 0.00 C ATOM 1332 O ARG A 85 6.490 7.666 -11.826 1.00 0.00 O ATOM 1333 CB ARG A 85 7.718 10.852 -11.902 1.00 0.00 C ATOM 1334 CG ARG A 85 9.190 10.383 -11.853 1.00 0.00 C ATOM 1335 CD ARG A 85 9.516 9.143 -12.696 1.00 0.00 C ATOM 1336 NE ARG A 85 10.752 8.488 -12.226 1.00 0.00 N ATOM 1337 CZ ARG A 85 11.060 7.198 -12.412 1.00 0.00 C ATOM 1338 NH1 ARG A 85 10.397 6.459 -13.294 1.00 0.00 N ATOM 1339 NH2 ARG A 85 12.030 6.639 -11.694 1.00 0.00 N ATOM 0 H ARG A 85 7.570 8.456 -10.116 1.00 0.00 H new ATOM 0 HA ARG A 85 5.814 10.632 -10.992 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.434 10.955 -12.949 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.669 11.847 -11.459 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.826 11.204 -12.185 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.453 10.175 -10.816 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.686 8.438 -12.646 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.628 9.430 -13.742 1.00 0.00 H new ATOM 0 HE ARG A 85 11.425 9.063 -11.719 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.642 6.873 -13.841 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.643 5.478 -13.425 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.537 7.193 -11.004 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.267 5.657 -11.834 1.00 0.00 H new ATOM 1353 N PHE A 86 5.367 9.129 -13.117 1.00 0.00 N ATOM 1354 CA PHE A 86 5.080 8.175 -14.183 1.00 0.00 C ATOM 1355 C PHE A 86 6.091 8.390 -15.315 1.00 0.00 C ATOM 1356 O PHE A 86 6.570 9.511 -15.511 1.00 0.00 O ATOM 1357 CB PHE A 86 3.625 8.306 -14.662 1.00 0.00 C ATOM 1358 CG PHE A 86 3.215 9.665 -15.205 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.554 10.041 -16.521 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.457 10.541 -14.406 1.00 0.00 C ATOM 1361 CE1 PHE A 86 3.157 11.292 -17.024 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.070 11.798 -14.906 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.421 12.174 -16.215 1.00 0.00 C ATOM 0 H PHE A 86 4.917 10.036 -13.237 1.00 0.00 H new ATOM 0 HA PHE A 86 5.185 7.155 -13.813 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.452 7.561 -15.438 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.967 8.057 -13.829 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.121 9.365 -17.145 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.172 10.248 -13.407 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.418 11.575 -18.033 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.503 12.475 -14.284 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.125 13.140 -16.598 1.00 0.00 H new ATOM 1373 N SER A 87 6.379 7.336 -16.084 1.00 0.00 N ATOM 1374 CA SER A 87 7.350 7.369 -17.174 1.00 0.00 C ATOM 1375 C SER A 87 6.864 6.550 -18.373 1.00 0.00 C ATOM 1376 O SER A 87 6.114 5.575 -18.237 1.00 0.00 O ATOM 1377 CB SER A 87 8.698 6.852 -16.656 1.00 0.00 C ATOM 1378 OG SER A 87 9.145 7.630 -15.557 1.00 0.00 O ATOM 0 H SER A 87 5.937 6.425 -15.963 1.00 0.00 H new ATOM 0 HA SER A 87 7.469 8.396 -17.520 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.601 5.809 -16.354 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.438 6.885 -17.456 1.00 0.00 H new ATOM 0 HG SER A 87 10.125 7.637 -15.539 1.00 0.00 H new ATOM 1384 N ILE A 88 7.291 6.947 -19.568 1.00 0.00 N ATOM 1385 CA ILE A 88 6.824 6.382 -20.823 1.00 0.00 C ATOM 1386 C ILE A 88 8.083 6.019 -21.600 1.00 0.00 C ATOM 1387 O ILE A 88 8.833 6.899 -22.026 1.00 0.00 O ATOM 1388 CB ILE A 88 5.904 7.381 -21.571 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.707 7.820 -20.694 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.391 6.718 -22.857 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.743 8.814 -21.352 1.00 0.00 C ATOM 0 H ILE A 88 7.985 7.685 -19.690 1.00 0.00 H new ATOM 0 HA ILE A 88 6.206 5.496 -20.679 1.00 0.00 H new ATOM 0 HB ILE A 88 6.483 8.273 -21.809 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.145 6.932 -20.404 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.093 8.266 -19.778 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.743 7.413 -23.391 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.237 6.451 -23.491 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.829 5.819 -22.604 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.940 9.058 -20.656 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.283 9.723 -21.616 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.320 8.369 -22.252 1.00 0.00 H new ATOM 1403 N VAL A 89 8.331 4.721 -21.750 1.00 0.00 N ATOM 1404 CA VAL A 89 9.306 4.225 -22.704 1.00 0.00 C ATOM 1405 C VAL A 89 8.630 4.360 -24.073 1.00 0.00 C ATOM 1406 O VAL A 89 7.468 3.975 -24.232 1.00 0.00 O ATOM 1407 CB VAL A 89 9.691 2.773 -22.348 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.833 2.261 -23.238 1.00 0.00 C ATOM 1409 CG2 VAL A 89 10.131 2.654 -20.873 1.00 0.00 C ATOM 0 H VAL A 89 7.862 3.990 -21.215 1.00 0.00 H new ATOM 0 HA VAL A 89 10.244 4.780 -22.698 1.00 0.00 H new ATOM 0 HB VAL A 89 8.800 2.167 -22.514 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.079 1.236 -22.961 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.521 2.290 -24.282 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.710 2.894 -23.104 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.395 1.619 -20.655 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.996 3.294 -20.699 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.313 2.964 -20.223 1.00 0.00 H new