USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 723 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 4 TYR OH : rot 180:sc= 1.22 USER MOD Set 1.2: A 54 GLN : amide:sc= 0.958 K(o=2.2,f=0.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0214 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.948 K(o=0.95,f=-0.0093) USER MOD Single : A 13 GLN : amide:sc= 1.34 K(o=1.3,f=-0.55) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.836 K(o=0.84,f=-1) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -151:sc= 1.23 (180deg=1.18) USER MOD Single : A 36 ASN : amide:sc= 0.777 K(o=0.78,f=-2.4!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -6:sc= 0.658 USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.09) USER MOD Single : A 62 ASN : amide:sc= 0.993 K(o=0.99,f=0) USER MOD Single : A 64 SER OG : rot 170:sc= 0.00879 USER MOD Single : A 67 SER OG : rot 76:sc= 1.16 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 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 83 HIS : no HE2:sc= 1.05 K(o=1.1,f=-4.4!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.741 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.795 -13.342 -0.469 1.00 0.00 N ATOM 2 CA MET A 1 -5.684 -13.571 0.488 1.00 0.00 C ATOM 3 C MET A 1 -6.246 -14.045 1.830 1.00 0.00 C ATOM 4 O MET A 1 -7.294 -13.569 2.269 1.00 0.00 O ATOM 5 CB MET A 1 -4.843 -12.294 0.681 1.00 0.00 C ATOM 6 CG MET A 1 -3.466 -12.531 1.305 1.00 0.00 C ATOM 7 SD MET A 1 -2.320 -13.443 0.239 1.00 0.00 S ATOM 8 CE MET A 1 -0.779 -12.988 1.071 1.00 0.00 C ATOM 0 H1 MET A 1 -6.812 -14.109 -1.171 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.698 -13.323 0.046 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.654 -12.433 -0.953 1.00 0.00 H new ATOM 0 HA MET A 1 -5.031 -14.342 0.079 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.711 -11.811 -0.287 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.399 -11.599 1.311 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.022 -11.568 1.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.591 -13.079 2.239 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.062 -13.456 0.560 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.660 -11.905 1.049 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.810 -13.329 2.106 1.00 0.00 H new ATOM 20 N LEU A 2 -5.544 -14.967 2.491 1.00 0.00 N ATOM 21 CA LEU A 2 -5.909 -15.570 3.772 1.00 0.00 C ATOM 22 C LEU A 2 -4.695 -15.489 4.698 1.00 0.00 C ATOM 23 O LEU A 2 -3.551 -15.412 4.234 1.00 0.00 O ATOM 24 CB LEU A 2 -6.284 -17.062 3.579 1.00 0.00 C ATOM 25 CG LEU A 2 -7.768 -17.443 3.434 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.569 -17.118 4.699 1.00 0.00 C ATOM 27 CD2 LEU A 2 -8.435 -16.811 2.211 1.00 0.00 C ATOM 0 H LEU A 2 -4.662 -15.331 2.129 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.764 -15.040 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.763 -17.420 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.883 -17.615 4.428 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.775 -18.523 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.611 -17.403 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.156 -17.671 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.510 -16.049 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.480 -17.119 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.380 -15.725 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.921 -17.138 1.307 1.00 0.00 H new ATOM 39 N GLN A 3 -4.956 -15.603 6.000 1.00 0.00 N ATOM 40 CA GLN A 3 -3.975 -15.881 7.038 1.00 0.00 C ATOM 41 C GLN A 3 -4.407 -17.187 7.701 1.00 0.00 C ATOM 42 O GLN A 3 -5.597 -17.377 7.948 1.00 0.00 O ATOM 43 CB GLN A 3 -3.961 -14.726 8.053 1.00 0.00 C ATOM 44 CG GLN A 3 -2.913 -14.903 9.161 1.00 0.00 C ATOM 45 CD GLN A 3 -2.882 -13.703 10.106 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.401 -13.759 11.217 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.275 -12.594 9.711 1.00 0.00 N ATOM 0 H GLN A 3 -5.900 -15.499 6.372 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.967 -15.973 6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.768 -13.791 7.526 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.948 -14.639 8.507 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.132 -15.807 9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.929 -15.039 8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.844 -12.550 8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.238 -11.784 10.330 1.00 0.00 H new ATOM 56 N TYR A 4 -3.458 -18.067 8.012 1.00 0.00 N ATOM 57 CA TYR A 4 -3.650 -19.302 8.766 1.00 0.00 C ATOM 58 C TYR A 4 -2.730 -19.243 9.989 1.00 0.00 C ATOM 59 O TYR A 4 -1.667 -18.618 9.946 1.00 0.00 O ATOM 60 CB TYR A 4 -3.293 -20.541 7.912 1.00 0.00 C ATOM 61 CG TYR A 4 -4.379 -21.159 7.036 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.339 -20.376 6.361 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.402 -22.560 6.868 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.316 -20.977 5.551 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.375 -23.171 6.058 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.344 -22.379 5.400 1.00 0.00 C ATOM 67 OH TYR A 4 -7.305 -22.953 4.630 1.00 0.00 O ATOM 0 H TYR A 4 -2.487 -17.931 7.731 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.696 -19.393 9.059 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.460 -20.268 7.264 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -2.931 -21.316 8.587 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.322 -19.301 6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.664 -23.170 7.367 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.047 -20.365 5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.382 -24.244 5.938 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.185 -23.926 4.628 1.00 0.00 H new ATOM 77 N ARG A 5 -3.089 -19.973 11.044 1.00 0.00 N ATOM 78 CA ARG A 5 -2.196 -20.350 12.137 1.00 0.00 C ATOM 79 C ARG A 5 -2.367 -21.852 12.299 1.00 0.00 C ATOM 80 O ARG A 5 -3.483 -22.356 12.176 1.00 0.00 O ATOM 81 CB ARG A 5 -2.539 -19.587 13.429 1.00 0.00 C ATOM 82 CG ARG A 5 -1.384 -19.616 14.448 1.00 0.00 C ATOM 83 CD ARG A 5 -1.844 -19.066 15.805 1.00 0.00 C ATOM 84 NE ARG A 5 -0.715 -18.605 16.636 1.00 0.00 N ATOM 85 CZ ARG A 5 -0.820 -17.994 17.823 1.00 0.00 C ATOM 86 NH1 ARG A 5 -2.007 -17.770 18.382 1.00 0.00 N ATOM 87 NH2 ARG A 5 0.291 -17.613 18.441 1.00 0.00 N ATOM 0 H ARG A 5 -4.037 -20.329 11.165 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.159 -20.093 11.920 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.779 -18.552 13.185 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.430 -20.023 13.880 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.023 -20.638 14.567 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.548 -19.024 14.075 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.535 -18.238 15.643 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.394 -19.840 16.340 1.00 0.00 H new ATOM 0 HE ARG A 5 0.226 -18.765 16.276 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.859 -18.065 17.905 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.065 -17.303 19.287 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.199 -17.787 18.011 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.237 -17.146 19.346 1.00 0.00 H new ATOM 101 N ILE A 6 -1.274 -22.569 12.524 1.00 0.00 N ATOM 102 CA ILE A 6 -1.237 -24.022 12.538 1.00 0.00 C ATOM 103 C ILE A 6 -0.413 -24.381 13.771 1.00 0.00 C ATOM 104 O ILE A 6 0.617 -23.752 14.023 1.00 0.00 O ATOM 105 CB ILE A 6 -0.614 -24.570 11.225 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.253 -23.986 9.937 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.681 -26.108 11.195 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.364 -24.123 8.694 1.00 0.00 C ATOM 0 H ILE A 6 -0.365 -22.143 12.706 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.230 -24.468 12.589 1.00 0.00 H new ATOM 0 HB ILE A 6 0.426 -24.243 11.230 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.202 -24.489 9.752 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.477 -22.932 10.099 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.240 -26.473 10.268 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.129 -26.513 12.043 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.721 -26.428 11.253 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.875 -23.694 7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.576 -23.596 8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.160 -25.177 8.507 1.00 0.00 H new ATOM 120 N ILE A 7 -0.842 -25.384 14.528 1.00 0.00 N ATOM 121 CA ILE A 7 -0.155 -25.868 15.718 1.00 0.00 C ATOM 122 C ILE A 7 -0.008 -27.375 15.503 1.00 0.00 C ATOM 123 O ILE A 7 -0.941 -28.010 15.010 1.00 0.00 O ATOM 124 CB ILE A 7 -0.956 -25.508 16.996 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.343 -24.009 17.126 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.190 -25.970 18.250 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.177 -23.031 17.309 1.00 0.00 C ATOM 0 H ILE A 7 -1.700 -25.896 14.325 1.00 0.00 H new ATOM 0 HA ILE A 7 0.822 -25.407 15.864 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.901 -26.043 16.905 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.899 -23.719 16.235 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.020 -23.900 17.974 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.762 -25.712 19.141 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.046 -27.050 18.211 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.781 -25.476 18.286 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.563 -22.015 17.389 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.370 -23.283 18.217 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.492 -23.098 16.451 1.00 0.00 H new ATOM 139 N VAL A 8 1.151 -27.946 15.834 1.00 0.00 N ATOM 140 CA VAL A 8 1.505 -29.324 15.495 1.00 0.00 C ATOM 141 C VAL A 8 2.152 -29.966 16.721 1.00 0.00 C ATOM 142 O VAL A 8 2.847 -29.281 17.476 1.00 0.00 O ATOM 143 CB VAL A 8 2.466 -29.374 14.276 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.241 -30.672 13.486 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.349 -28.195 13.293 1.00 0.00 C ATOM 0 H VAL A 8 1.880 -27.457 16.353 1.00 0.00 H new ATOM 0 HA VAL A 8 0.606 -29.874 15.215 1.00 0.00 H new ATOM 0 HB VAL A 8 3.463 -29.318 14.712 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.918 -30.700 12.632 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.434 -31.529 14.131 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.210 -30.709 13.133 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.063 -28.327 12.480 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.338 -28.159 12.887 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.563 -27.263 13.816 1.00 0.00 H new ATOM 155 N ASP A 9 1.953 -31.270 16.911 1.00 0.00 N ATOM 156 CA ASP A 9 2.421 -32.023 18.071 1.00 0.00 C ATOM 157 C ASP A 9 2.775 -33.449 17.645 1.00 0.00 C ATOM 158 O ASP A 9 2.305 -33.919 16.605 1.00 0.00 O ATOM 159 CB ASP A 9 1.304 -32.050 19.117 1.00 0.00 C ATOM 160 CG ASP A 9 1.756 -32.407 20.542 1.00 0.00 C ATOM 161 OD1 ASP A 9 2.948 -32.704 20.780 1.00 0.00 O ATOM 162 OD2 ASP A 9 0.888 -32.330 21.444 1.00 0.00 O ATOM 0 H ASP A 9 1.446 -31.848 16.241 1.00 0.00 H new ATOM 0 HA ASP A 9 3.309 -31.552 18.493 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.824 -31.072 19.139 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.548 -32.769 18.801 1.00 0.00 H new ATOM 167 N GLY A 10 3.608 -34.127 18.431 1.00 0.00 N ATOM 168 CA GLY A 10 4.167 -35.439 18.135 1.00 0.00 C ATOM 169 C GLY A 10 5.686 -35.377 18.215 1.00 0.00 C ATOM 170 O GLY A 10 6.243 -34.476 18.851 1.00 0.00 O ATOM 0 H GLY A 10 3.924 -33.760 19.329 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.785 -36.176 18.842 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.858 -35.761 17.141 1.00 0.00 H new ATOM 174 N ARG A 11 6.381 -36.293 17.533 1.00 0.00 N ATOM 175 CA ARG A 11 7.779 -36.056 17.177 1.00 0.00 C ATOM 176 C ARG A 11 7.755 -35.013 16.065 1.00 0.00 C ATOM 177 O ARG A 11 7.648 -35.367 14.893 1.00 0.00 O ATOM 178 CB ARG A 11 8.502 -37.359 16.776 1.00 0.00 C ATOM 179 CG ARG A 11 9.972 -37.153 16.350 1.00 0.00 C ATOM 180 CD ARG A 11 10.873 -36.612 17.475 1.00 0.00 C ATOM 181 NE ARG A 11 12.230 -36.293 16.992 1.00 0.00 N ATOM 182 CZ ARG A 11 13.222 -37.165 16.764 1.00 0.00 C ATOM 183 NH1 ARG A 11 13.063 -38.460 17.034 1.00 0.00 N ATOM 184 NH2 ARG A 11 14.379 -36.746 16.262 1.00 0.00 N ATOM 0 H ARG A 11 6.005 -37.189 17.222 1.00 0.00 H new ATOM 0 HA ARG A 11 8.353 -35.688 18.027 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.471 -38.053 17.616 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.958 -37.827 15.955 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.376 -38.103 15.999 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.003 -36.462 15.508 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.421 -35.717 17.903 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.937 -37.350 18.275 1.00 0.00 H new ATOM 0 HE ARG A 11 12.434 -35.310 16.814 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.180 -38.796 17.418 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.824 -39.115 16.857 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.514 -35.758 16.049 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.132 -37.413 16.090 1.00 0.00 H new ATOM 198 N VAL A 12 7.801 -33.739 16.433 1.00 0.00 N ATOM 199 CA VAL A 12 7.753 -32.612 15.504 1.00 0.00 C ATOM 200 C VAL A 12 8.888 -31.626 15.811 1.00 0.00 C ATOM 201 O VAL A 12 8.829 -30.468 15.411 1.00 0.00 O ATOM 202 CB VAL A 12 6.347 -31.966 15.513 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.286 -32.968 15.038 1.00 0.00 C ATOM 204 CG2 VAL A 12 5.921 -31.417 16.886 1.00 0.00 C ATOM 0 H VAL A 12 7.875 -33.451 17.409 1.00 0.00 H new ATOM 0 HA VAL A 12 7.918 -32.962 14.485 1.00 0.00 H new ATOM 0 HB VAL A 12 6.418 -31.120 14.829 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.305 -32.493 15.052 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.519 -33.290 14.023 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.280 -33.833 15.701 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.925 -30.981 16.810 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.907 -32.228 17.614 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.629 -30.653 17.208 1.00 0.00 H new ATOM 214 N GLN A 13 9.913 -32.070 16.544 1.00 0.00 N ATOM 215 CA GLN A 13 11.062 -31.267 16.928 1.00 0.00 C ATOM 216 C GLN A 13 12.301 -32.152 16.869 1.00 0.00 C ATOM 217 O GLN A 13 12.205 -33.375 17.040 1.00 0.00 O ATOM 218 CB GLN A 13 10.900 -30.733 18.359 1.00 0.00 C ATOM 219 CG GLN A 13 9.708 -29.786 18.555 1.00 0.00 C ATOM 220 CD GLN A 13 9.787 -29.016 19.877 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.575 -29.326 20.771 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.999 -27.967 20.024 1.00 0.00 N ATOM 0 H GLN A 13 9.961 -33.027 16.893 1.00 0.00 H new ATOM 0 HA GLN A 13 11.151 -30.419 16.249 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.791 -31.578 19.038 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.813 -30.211 18.644 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.669 -29.078 17.727 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.782 -30.361 18.527 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.347 -27.711 19.283 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.043 -27.412 20.879 1.00 0.00 H new ATOM 231 N GLY A 14 13.461 -31.536 16.677 1.00 0.00 N ATOM 232 CA GLY A 14 14.709 -32.258 16.528 1.00 0.00 C ATOM 233 C GLY A 14 14.680 -33.084 15.246 1.00 0.00 C ATOM 234 O GLY A 14 15.153 -34.223 15.243 1.00 0.00 O ATOM 0 H GLY A 14 13.558 -30.522 16.621 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.544 -31.557 16.501 1.00 0.00 H new ATOM 0 HA3 GLY A 14 14.867 -32.910 17.387 1.00 0.00 H new ATOM 238 N VAL A 15 14.071 -32.550 14.188 1.00 0.00 N ATOM 239 CA VAL A 15 13.934 -33.179 12.877 1.00 0.00 C ATOM 240 C VAL A 15 14.212 -32.174 11.742 1.00 0.00 C ATOM 241 O VAL A 15 14.229 -32.572 10.575 1.00 0.00 O ATOM 242 CB VAL A 15 12.551 -33.864 12.735 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.376 -35.029 13.722 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.368 -32.905 12.912 1.00 0.00 C ATOM 0 H VAL A 15 13.641 -31.626 14.224 1.00 0.00 H new ATOM 0 HA VAL A 15 14.688 -33.961 12.792 1.00 0.00 H new ATOM 0 HB VAL A 15 12.543 -34.237 11.711 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.392 -35.477 13.585 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.145 -35.779 13.539 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.466 -34.658 14.743 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.434 -33.455 12.799 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.408 -32.457 13.905 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.420 -32.120 12.158 1.00 0.00 H new ATOM 254 N GLY A 16 14.463 -30.898 12.050 1.00 0.00 N ATOM 255 CA GLY A 16 14.597 -29.833 11.078 1.00 0.00 C ATOM 256 C GLY A 16 13.216 -29.297 10.708 1.00 0.00 C ATOM 257 O GLY A 16 13.038 -28.847 9.576 1.00 0.00 O ATOM 0 H GLY A 16 14.580 -30.579 13.012 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.212 -29.031 11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.105 -30.202 10.187 1.00 0.00 H new ATOM 261 N PHE A 17 12.227 -29.409 11.598 1.00 0.00 N ATOM 262 CA PHE A 17 10.848 -29.051 11.301 1.00 0.00 C ATOM 263 C PHE A 17 10.753 -27.573 10.920 1.00 0.00 C ATOM 264 O PHE A 17 10.059 -27.236 9.958 1.00 0.00 O ATOM 265 CB PHE A 17 9.930 -29.389 12.484 1.00 0.00 C ATOM 266 CG PHE A 17 8.498 -29.713 12.089 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.594 -28.683 11.765 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.058 -31.052 12.056 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.265 -28.987 11.416 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.728 -31.356 11.721 1.00 0.00 C ATOM 271 CZ PHE A 17 5.831 -30.324 11.393 1.00 0.00 C ATOM 0 H PHE A 17 12.366 -29.753 12.548 1.00 0.00 H new ATOM 0 HA PHE A 17 10.510 -29.639 10.448 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.348 -30.240 13.022 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.922 -28.547 13.176 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.922 -27.654 11.784 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.748 -31.849 12.290 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.578 -28.192 11.166 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.394 -32.383 11.715 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.811 -30.558 11.124 1.00 0.00 H new ATOM 281 N ARG A 18 11.479 -26.680 11.605 1.00 0.00 N ATOM 282 CA ARG A 18 11.492 -25.259 11.251 1.00 0.00 C ATOM 283 C ARG A 18 11.977 -25.060 9.817 1.00 0.00 C ATOM 284 O ARG A 18 11.376 -24.286 9.071 1.00 0.00 O ATOM 285 CB ARG A 18 12.386 -24.492 12.234 1.00 0.00 C ATOM 286 CG ARG A 18 11.740 -24.342 13.623 1.00 0.00 C ATOM 287 CD ARG A 18 12.766 -23.913 14.677 1.00 0.00 C ATOM 288 NE ARG A 18 13.692 -25.005 15.002 1.00 0.00 N ATOM 289 CZ ARG A 18 14.778 -24.917 15.770 1.00 0.00 C ATOM 290 NH1 ARG A 18 15.112 -23.760 16.347 1.00 0.00 N ATOM 291 NH2 ARG A 18 15.536 -25.985 15.958 1.00 0.00 N ATOM 0 H ARG A 18 12.064 -26.918 12.406 1.00 0.00 H new ATOM 0 HA ARG A 18 10.475 -24.871 11.316 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.339 -25.011 12.334 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.602 -23.504 11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.937 -23.606 13.574 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.287 -25.288 13.919 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.329 -23.054 14.310 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.248 -23.592 15.581 1.00 0.00 H new ATOM 0 HE ARG A 18 13.484 -25.920 14.601 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.534 -22.932 16.202 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.945 -23.704 16.933 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.288 -26.870 15.516 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.368 -25.923 16.545 1.00 0.00 H new ATOM 305 N TYR A 19 13.038 -25.758 9.413 1.00 0.00 N ATOM 306 CA TYR A 19 13.606 -25.632 8.082 1.00 0.00 C ATOM 307 C TYR A 19 12.669 -26.222 7.029 1.00 0.00 C ATOM 308 O TYR A 19 12.461 -25.597 5.992 1.00 0.00 O ATOM 309 CB TYR A 19 14.982 -26.303 8.053 1.00 0.00 C ATOM 310 CG TYR A 19 16.026 -25.535 8.845 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.632 -24.395 8.282 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.360 -25.930 10.156 1.00 0.00 C ATOM 313 CE1 TYR A 19 17.568 -23.649 9.022 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.295 -25.189 10.901 1.00 0.00 C ATOM 315 CZ TYR A 19 17.904 -24.044 10.338 1.00 0.00 C ATOM 316 OH TYR A 19 18.809 -23.335 11.071 1.00 0.00 O ATOM 0 H TYR A 19 13.526 -26.429 10.007 1.00 0.00 H new ATOM 0 HA TYR A 19 13.728 -24.576 7.841 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.898 -27.313 8.455 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.314 -26.398 7.019 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.377 -24.092 7.277 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.897 -26.804 10.590 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.029 -22.776 8.585 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.548 -25.495 11.905 1.00 0.00 H new ATOM 0 HH TYR A 19 18.915 -23.752 11.952 1.00 0.00 H new ATOM 326 N PHE A 20 12.057 -27.378 7.299 1.00 0.00 N ATOM 327 CA PHE A 20 11.054 -27.969 6.422 1.00 0.00 C ATOM 328 C PHE A 20 9.911 -26.981 6.181 1.00 0.00 C ATOM 329 O PHE A 20 9.557 -26.724 5.031 1.00 0.00 O ATOM 330 CB PHE A 20 10.546 -29.287 7.025 1.00 0.00 C ATOM 331 CG PHE A 20 9.350 -29.887 6.306 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.536 -30.645 5.133 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.047 -29.675 6.799 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.426 -31.190 4.463 1.00 0.00 C ATOM 335 CE2 PHE A 20 6.938 -30.211 6.122 1.00 0.00 C ATOM 336 CZ PHE A 20 7.128 -30.975 4.958 1.00 0.00 C ATOM 0 H PHE A 20 12.247 -27.929 8.136 1.00 0.00 H new ATOM 0 HA PHE A 20 11.504 -28.192 5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.360 -30.012 7.019 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.279 -29.116 8.068 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.532 -30.808 4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.900 -29.099 7.700 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.571 -31.775 3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.940 -30.036 6.496 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.277 -31.397 4.444 1.00 0.00 H new ATOM 346 N VAL A 21 9.368 -26.380 7.243 1.00 0.00 N ATOM 347 CA VAL A 21 8.284 -25.415 7.125 1.00 0.00 C ATOM 348 C VAL A 21 8.752 -24.171 6.355 1.00 0.00 C ATOM 349 O VAL A 21 8.005 -23.688 5.507 1.00 0.00 O ATOM 350 CB VAL A 21 7.724 -25.104 8.527 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.687 -23.978 8.504 1.00 0.00 C ATOM 352 CG2 VAL A 21 7.020 -26.335 9.120 1.00 0.00 C ATOM 0 H VAL A 21 9.669 -26.551 8.202 1.00 0.00 H new ATOM 0 HA VAL A 21 7.464 -25.832 6.540 1.00 0.00 H new ATOM 0 HB VAL A 21 8.584 -24.806 9.127 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.323 -23.797 9.516 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.146 -23.069 8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.852 -24.265 7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.633 -26.091 10.109 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.196 -26.631 8.471 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.731 -27.157 9.201 1.00 0.00 H new ATOM 362 N GLN A 22 9.977 -23.681 6.579 1.00 0.00 N ATOM 363 CA GLN A 22 10.537 -22.577 5.804 1.00 0.00 C ATOM 364 C GLN A 22 10.562 -22.942 4.316 1.00 0.00 C ATOM 365 O GLN A 22 10.114 -22.149 3.496 1.00 0.00 O ATOM 366 CB GLN A 22 11.912 -22.179 6.365 1.00 0.00 C ATOM 367 CG GLN A 22 12.596 -21.055 5.573 1.00 0.00 C ATOM 368 CD GLN A 22 11.885 -19.700 5.636 1.00 0.00 C ATOM 369 OE1 GLN A 22 11.000 -19.413 4.841 1.00 0.00 O ATOM 370 NE2 GLN A 22 12.259 -18.824 6.556 1.00 0.00 N ATOM 0 H GLN A 22 10.603 -24.040 7.300 1.00 0.00 H new ATOM 0 HA GLN A 22 9.904 -21.694 5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.795 -21.863 7.401 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.561 -23.055 6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.613 -20.934 5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.674 -21.360 4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.997 -19.064 7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.809 -17.910 6.602 1.00 0.00 H new ATOM 379 N MET A 23 11.025 -24.136 3.940 1.00 0.00 N ATOM 380 CA MET A 23 11.087 -24.529 2.530 1.00 0.00 C ATOM 381 C MET A 23 9.679 -24.679 1.938 1.00 0.00 C ATOM 382 O MET A 23 9.432 -24.276 0.799 1.00 0.00 O ATOM 383 CB MET A 23 11.876 -25.837 2.380 1.00 0.00 C ATOM 384 CG MET A 23 13.359 -25.661 2.729 1.00 0.00 C ATOM 385 SD MET A 23 14.303 -27.210 2.737 1.00 0.00 S ATOM 386 CE MET A 23 15.896 -26.581 3.337 1.00 0.00 C ATOM 0 H MET A 23 11.362 -24.846 4.590 1.00 0.00 H new ATOM 0 HA MET A 23 11.601 -23.743 1.977 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.440 -26.599 3.026 1.00 0.00 H new ATOM 0 HB3 MET A 23 11.786 -26.199 1.356 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.811 -24.975 2.013 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.438 -25.194 3.711 1.00 0.00 H new ATOM 0 HE1 MET A 23 16.609 -27.403 3.406 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.275 -25.829 2.644 1.00 0.00 H new ATOM 0 HE3 MET A 23 15.763 -26.133 4.322 1.00 0.00 H new ATOM 396 N GLU A 24 8.732 -25.218 2.707 1.00 0.00 N ATOM 397 CA GLU A 24 7.358 -25.393 2.260 1.00 0.00 C ATOM 398 C GLU A 24 6.615 -24.061 2.144 1.00 0.00 C ATOM 399 O GLU A 24 5.694 -23.952 1.329 1.00 0.00 O ATOM 400 CB GLU A 24 6.627 -26.360 3.208 1.00 0.00 C ATOM 401 CG GLU A 24 6.975 -27.833 2.945 1.00 0.00 C ATOM 402 CD GLU A 24 6.575 -28.256 1.525 1.00 0.00 C ATOM 403 OE1 GLU A 24 5.378 -28.140 1.180 1.00 0.00 O ATOM 404 OE2 GLU A 24 7.457 -28.618 0.713 1.00 0.00 O ATOM 0 H GLU A 24 8.901 -25.545 3.658 1.00 0.00 H new ATOM 0 HA GLU A 24 7.378 -25.822 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.880 -26.111 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.551 -26.222 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.045 -27.986 3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.465 -28.465 3.672 1.00 0.00 H new ATOM 411 N ALA A 25 7.013 -23.046 2.911 1.00 0.00 N ATOM 412 CA ALA A 25 6.555 -21.680 2.732 1.00 0.00 C ATOM 413 C ALA A 25 7.242 -21.052 1.521 1.00 0.00 C ATOM 414 O ALA A 25 6.598 -20.333 0.756 1.00 0.00 O ATOM 415 CB ALA A 25 6.857 -20.877 4.003 1.00 0.00 C ATOM 0 H ALA A 25 7.671 -23.157 3.682 1.00 0.00 H new ATOM 0 HA ALA A 25 5.480 -21.673 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.515 -19.850 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.340 -21.328 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.931 -20.881 4.189 1.00 0.00 H new ATOM 421 N ASP A 26 8.532 -21.339 1.325 1.00 0.00 N ATOM 422 CA ASP A 26 9.374 -20.715 0.314 1.00 0.00 C ATOM 423 C ASP A 26 8.879 -21.063 -1.078 1.00 0.00 C ATOM 424 O ASP A 26 8.696 -20.160 -1.894 1.00 0.00 O ATOM 425 CB ASP A 26 10.836 -21.157 0.446 1.00 0.00 C ATOM 426 CG ASP A 26 11.703 -20.457 -0.612 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.998 -19.250 -0.455 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.112 -21.113 -1.595 1.00 0.00 O ATOM 0 H ASP A 26 9.029 -22.033 1.884 1.00 0.00 H new ATOM 0 HA ASP A 26 9.318 -19.638 0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.206 -20.920 1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.908 -22.238 0.328 1.00 0.00 H new ATOM 433 N LYS A 27 8.584 -22.346 -1.352 1.00 0.00 N ATOM 434 CA LYS A 27 8.160 -22.716 -2.707 1.00 0.00 C ATOM 435 C LYS A 27 6.760 -22.189 -3.056 1.00 0.00 C ATOM 436 O LYS A 27 6.382 -22.174 -4.226 1.00 0.00 O ATOM 437 CB LYS A 27 8.420 -24.203 -3.034 1.00 0.00 C ATOM 438 CG LYS A 27 7.254 -25.202 -2.987 1.00 0.00 C ATOM 439 CD LYS A 27 6.732 -25.524 -1.580 1.00 0.00 C ATOM 440 CE LYS A 27 5.758 -26.716 -1.640 1.00 0.00 C ATOM 441 NZ LYS A 27 6.441 -28.023 -1.813 1.00 0.00 N ATOM 0 H LYS A 27 8.629 -23.114 -0.682 1.00 0.00 H new ATOM 0 HA LYS A 27 8.812 -22.188 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.848 -24.247 -4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.185 -24.560 -2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.431 -24.805 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.571 -26.130 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.566 -25.758 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.228 -24.653 -1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.168 -26.741 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.061 -26.566 -2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.730 -28.773 -1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.050 -27.988 -2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.022 -28.225 -0.974 1.00 0.00 H new ATOM 455 N ARG A 28 6.008 -21.715 -2.055 1.00 0.00 N ATOM 456 CA ARG A 28 4.709 -21.060 -2.205 1.00 0.00 C ATOM 457 C ARG A 28 4.819 -19.533 -2.088 1.00 0.00 C ATOM 458 O ARG A 28 3.808 -18.850 -2.249 1.00 0.00 O ATOM 459 CB ARG A 28 3.788 -21.605 -1.105 1.00 0.00 C ATOM 460 CG ARG A 28 3.267 -23.018 -1.379 1.00 0.00 C ATOM 461 CD ARG A 28 2.555 -23.526 -0.123 1.00 0.00 C ATOM 462 NE ARG A 28 2.058 -24.896 -0.312 1.00 0.00 N ATOM 463 CZ ARG A 28 2.673 -26.012 0.079 1.00 0.00 C ATOM 464 NH1 ARG A 28 3.771 -25.968 0.825 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.178 -27.180 -0.297 1.00 0.00 N ATOM 0 H ARG A 28 6.302 -21.782 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 28 4.310 -21.272 -3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.328 -21.604 -0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.939 -20.931 -0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.581 -23.011 -2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.091 -23.681 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.241 -23.499 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.723 -22.865 0.119 1.00 0.00 H new ATOM 0 HE ARG A 28 1.161 -25.003 -0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.159 -25.068 1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.226 -26.834 1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.339 -27.216 -0.876 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.635 -28.045 -0.007 1.00 0.00 H new ATOM 479 N LYS A 29 6.011 -18.986 -1.809 1.00 0.00 N ATOM 480 CA LYS A 29 6.243 -17.580 -1.458 1.00 0.00 C ATOM 481 C LYS A 29 5.228 -17.063 -0.422 1.00 0.00 C ATOM 482 O LYS A 29 4.712 -15.951 -0.557 1.00 0.00 O ATOM 483 CB LYS A 29 6.347 -16.709 -2.727 1.00 0.00 C ATOM 484 CG LYS A 29 7.473 -17.167 -3.672 1.00 0.00 C ATOM 485 CD LYS A 29 7.712 -16.190 -4.835 1.00 0.00 C ATOM 486 CE LYS A 29 6.509 -16.000 -5.776 1.00 0.00 C ATOM 487 NZ LYS A 29 6.188 -17.218 -6.564 1.00 0.00 N ATOM 0 H LYS A 29 6.872 -19.533 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 29 7.208 -17.506 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.397 -16.737 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.520 -15.672 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.396 -17.279 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.226 -18.149 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.991 -15.220 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.561 -16.544 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.637 -15.715 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.716 -15.176 -6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.370 -17.029 -7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.007 -17.479 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.961 -18.000 -5.917 1.00 0.00 H new ATOM 501 N LEU A 30 4.917 -17.870 0.602 1.00 0.00 N ATOM 502 CA LEU A 30 4.140 -17.420 1.754 1.00 0.00 C ATOM 503 C LEU A 30 4.951 -16.382 2.539 1.00 0.00 C ATOM 504 O LEU A 30 6.167 -16.262 2.362 1.00 0.00 O ATOM 505 CB LEU A 30 3.779 -18.603 2.675 1.00 0.00 C ATOM 506 CG LEU A 30 3.007 -19.760 2.020 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.703 -20.860 3.041 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.696 -19.316 1.364 1.00 0.00 C ATOM 0 H LEU A 30 5.198 -18.849 0.650 1.00 0.00 H new ATOM 0 HA LEU A 30 3.213 -16.973 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.701 -19.002 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.186 -18.222 3.506 1.00 0.00 H new ATOM 0 HG LEU A 30 3.659 -20.143 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.156 -21.667 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.637 -21.248 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.099 -20.449 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.200 -20.180 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.045 -18.871 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.908 -18.581 0.587 1.00 0.00 H new ATOM 520 N ALA A 31 4.290 -15.686 3.464 1.00 0.00 N ATOM 521 CA ALA A 31 4.920 -14.858 4.490 1.00 0.00 C ATOM 522 C ALA A 31 4.319 -15.258 5.842 1.00 0.00 C ATOM 523 O ALA A 31 3.227 -15.825 5.853 1.00 0.00 O ATOM 524 CB ALA A 31 4.688 -13.380 4.163 1.00 0.00 C ATOM 0 H ALA A 31 3.272 -15.683 3.521 1.00 0.00 H new ATOM 0 HA ALA A 31 5.999 -15.010 4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.157 -12.760 4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.124 -13.150 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.617 -13.177 4.138 1.00 0.00 H new ATOM 530 N GLY A 32 5.014 -15.032 6.962 1.00 0.00 N ATOM 531 CA GLY A 32 4.583 -15.548 8.260 1.00 0.00 C ATOM 532 C GLY A 32 5.753 -15.919 9.171 1.00 0.00 C ATOM 533 O GLY A 32 6.853 -15.376 9.026 1.00 0.00 O ATOM 0 H GLY A 32 5.880 -14.493 6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.966 -14.799 8.756 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.956 -16.426 8.106 1.00 0.00 H new ATOM 537 N TRP A 33 5.538 -16.857 10.099 1.00 0.00 N ATOM 538 CA TRP A 33 6.581 -17.393 10.959 1.00 0.00 C ATOM 539 C TRP A 33 6.413 -18.888 11.232 1.00 0.00 C ATOM 540 O TRP A 33 5.329 -19.447 11.063 1.00 0.00 O ATOM 541 CB TRP A 33 6.683 -16.596 12.275 1.00 0.00 C ATOM 542 CG TRP A 33 5.517 -16.568 13.239 1.00 0.00 C ATOM 543 CD1 TRP A 33 4.847 -17.631 13.754 1.00 0.00 C ATOM 544 CD2 TRP A 33 4.941 -15.399 13.906 1.00 0.00 C ATOM 545 NE1 TRP A 33 3.905 -17.202 14.671 1.00 0.00 N ATOM 546 CE2 TRP A 33 3.934 -15.836 14.818 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.194 -14.011 13.858 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.224 -14.948 15.639 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.479 -13.107 14.669 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.496 -13.573 15.560 1.00 0.00 C ATOM 0 H TRP A 33 4.620 -17.266 10.271 1.00 0.00 H new ATOM 0 HA TRP A 33 7.519 -17.279 10.416 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.544 -16.981 12.821 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.909 -15.563 12.011 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.024 -18.662 13.486 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.269 -17.821 15.174 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.951 -13.634 13.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.476 -15.318 16.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.687 -12.049 14.606 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.953 -12.876 16.181 1.00 0.00 H new ATOM 561 N VAL A 34 7.465 -19.509 11.770 1.00 0.00 N ATOM 562 CA VAL A 34 7.421 -20.812 12.427 1.00 0.00 C ATOM 563 C VAL A 34 8.259 -20.714 13.701 1.00 0.00 C ATOM 564 O VAL A 34 9.289 -20.038 13.693 1.00 0.00 O ATOM 565 CB VAL A 34 7.904 -21.920 11.460 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.334 -21.718 10.928 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.820 -23.318 12.091 1.00 0.00 C ATOM 0 H VAL A 34 8.401 -19.103 11.759 1.00 0.00 H new ATOM 0 HA VAL A 34 6.403 -21.087 12.702 1.00 0.00 H new ATOM 0 HB VAL A 34 7.217 -21.843 10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.592 -22.538 10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.390 -20.775 10.385 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.034 -21.698 11.764 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.169 -24.062 11.375 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.444 -23.352 12.984 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.787 -23.533 12.363 1.00 0.00 H new ATOM 577 N LYS A 35 7.868 -21.399 14.782 1.00 0.00 N ATOM 578 CA LYS A 35 8.738 -21.590 15.940 1.00 0.00 C ATOM 579 C LYS A 35 8.561 -22.981 16.535 1.00 0.00 C ATOM 580 O LYS A 35 7.453 -23.519 16.596 1.00 0.00 O ATOM 581 CB LYS A 35 8.586 -20.479 17.005 1.00 0.00 C ATOM 582 CG LYS A 35 7.234 -20.370 17.737 1.00 0.00 C ATOM 583 CD LYS A 35 6.167 -19.521 17.027 1.00 0.00 C ATOM 584 CE LYS A 35 6.519 -18.030 16.875 1.00 0.00 C ATOM 585 NZ LYS A 35 6.570 -17.311 18.173 1.00 0.00 N ATOM 0 H LYS A 35 6.949 -21.831 14.875 1.00 0.00 H new ATOM 0 HA LYS A 35 9.763 -21.509 15.577 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.363 -20.625 17.755 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.784 -19.522 16.522 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.837 -21.375 17.883 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.409 -19.949 18.727 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.990 -19.940 16.036 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.231 -19.604 17.580 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.485 -17.939 16.377 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.782 -17.552 16.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.320 -16.312 18.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.895 -17.743 18.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.530 -17.374 18.567 1.00 0.00 H new ATOM 599 N ASN A 36 9.683 -23.530 16.995 1.00 0.00 N ATOM 600 CA ASN A 36 9.760 -24.655 17.920 1.00 0.00 C ATOM 601 C ASN A 36 9.373 -24.077 19.287 1.00 0.00 C ATOM 602 O ASN A 36 10.096 -23.222 19.806 1.00 0.00 O ATOM 603 CB ASN A 36 11.208 -25.201 17.871 1.00 0.00 C ATOM 604 CG ASN A 36 11.565 -26.230 18.943 1.00 0.00 C ATOM 605 OD1 ASN A 36 11.360 -26.010 20.132 1.00 0.00 O ATOM 606 ND2 ASN A 36 12.161 -27.354 18.576 1.00 0.00 N ATOM 0 H ASN A 36 10.603 -23.187 16.720 1.00 0.00 H new ATOM 0 HA ASN A 36 9.099 -25.489 17.684 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.374 -25.651 16.892 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.897 -24.360 17.957 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.448 -28.033 19.281 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.333 -27.541 17.588 1.00 0.00 H new ATOM 613 N ARG A 37 8.207 -24.450 19.835 1.00 0.00 N ATOM 614 CA ARG A 37 7.796 -23.994 21.165 1.00 0.00 C ATOM 615 C ARG A 37 8.528 -24.835 22.205 1.00 0.00 C ATOM 616 O ARG A 37 8.635 -26.052 22.045 1.00 0.00 O ATOM 617 CB ARG A 37 6.276 -24.141 21.364 1.00 0.00 C ATOM 618 CG ARG A 37 5.421 -23.167 20.532 1.00 0.00 C ATOM 619 CD ARG A 37 3.941 -23.401 20.873 1.00 0.00 C ATOM 620 NE ARG A 37 3.059 -22.323 20.388 1.00 0.00 N ATOM 621 CZ ARG A 37 1.764 -22.186 20.706 1.00 0.00 C ATOM 622 NH1 ARG A 37 1.149 -23.072 21.486 1.00 0.00 N ATOM 623 NH2 ARG A 37 1.090 -21.149 20.230 1.00 0.00 N ATOM 0 H ARG A 37 7.535 -25.065 19.376 1.00 0.00 H new ATOM 0 HA ARG A 37 8.045 -22.938 21.271 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.987 -25.162 21.113 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.046 -23.995 22.419 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.701 -22.136 20.750 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.594 -23.326 19.468 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.620 -24.348 20.440 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.833 -23.492 21.954 1.00 0.00 H new ATOM 0 HE ARG A 37 3.466 -21.628 19.762 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.664 -23.872 21.853 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.163 -22.950 21.717 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.557 -20.469 19.631 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.104 -21.031 20.463 1.00 0.00 H new ATOM 637 N ASP A 38 8.935 -24.228 23.319 1.00 0.00 N ATOM 638 CA ASP A 38 9.566 -24.949 24.432 1.00 0.00 C ATOM 639 C ASP A 38 8.627 -25.995 25.048 1.00 0.00 C ATOM 640 O ASP A 38 9.083 -26.991 25.609 1.00 0.00 O ATOM 641 CB ASP A 38 10.029 -23.953 25.500 1.00 0.00 C ATOM 642 CG ASP A 38 10.682 -24.665 26.697 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.819 -25.172 26.558 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.086 -24.681 27.797 1.00 0.00 O ATOM 0 H ASP A 38 8.839 -23.225 23.479 1.00 0.00 H new ATOM 0 HA ASP A 38 10.428 -25.485 24.035 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.740 -23.253 25.061 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.177 -23.368 25.845 1.00 0.00 H new ATOM 649 N ASP A 39 7.312 -25.804 24.890 1.00 0.00 N ATOM 650 CA ASP A 39 6.274 -26.756 25.289 1.00 0.00 C ATOM 651 C ASP A 39 6.388 -28.110 24.565 1.00 0.00 C ATOM 652 O ASP A 39 5.863 -29.112 25.053 1.00 0.00 O ATOM 653 CB ASP A 39 4.898 -26.133 25.016 1.00 0.00 C ATOM 654 CG ASP A 39 3.749 -27.058 25.448 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.548 -27.252 26.669 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.009 -27.554 24.570 1.00 0.00 O ATOM 0 H ASP A 39 6.932 -24.957 24.468 1.00 0.00 H new ATOM 0 HA ASP A 39 6.405 -26.960 26.352 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.818 -25.184 25.547 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.805 -25.912 23.953 1.00 0.00 H new ATOM 661 N GLY A 40 7.075 -28.157 23.417 1.00 0.00 N ATOM 662 CA GLY A 40 7.284 -29.368 22.621 1.00 0.00 C ATOM 663 C GLY A 40 6.481 -29.372 21.316 1.00 0.00 C ATOM 664 O GLY A 40 6.731 -30.204 20.442 1.00 0.00 O ATOM 0 H GLY A 40 7.511 -27.331 23.007 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.345 -29.465 22.389 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.006 -30.239 23.215 1.00 0.00 H new ATOM 668 N ARG A 41 5.523 -28.450 21.165 1.00 0.00 N ATOM 669 CA ARG A 41 4.749 -28.268 19.940 1.00 0.00 C ATOM 670 C ARG A 41 5.527 -27.414 18.942 1.00 0.00 C ATOM 671 O ARG A 41 6.552 -26.813 19.268 1.00 0.00 O ATOM 672 CB ARG A 41 3.367 -27.670 20.287 1.00 0.00 C ATOM 673 CG ARG A 41 2.460 -28.774 20.850 1.00 0.00 C ATOM 674 CD ARG A 41 1.023 -28.324 21.143 1.00 0.00 C ATOM 675 NE ARG A 41 0.166 -29.508 21.326 1.00 0.00 N ATOM 676 CZ ARG A 41 -1.028 -29.738 20.767 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.748 -28.763 20.217 1.00 0.00 N ATOM 678 NH2 ARG A 41 -1.471 -30.984 20.747 1.00 0.00 N ATOM 0 H ARG A 41 5.262 -27.800 21.906 1.00 0.00 H new ATOM 0 HA ARG A 41 4.579 -29.232 19.460 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.478 -26.868 21.017 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.915 -27.231 19.398 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.431 -29.601 20.141 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.902 -29.158 21.769 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.000 -27.703 22.039 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.647 -27.713 20.322 1.00 0.00 H new ATOM 0 HE ARG A 41 0.522 -30.233 21.948 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.393 -27.807 20.213 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.655 -28.972 19.799 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.907 -31.732 21.150 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.377 -31.197 20.329 1.00 0.00 H new ATOM 692 N VAL A 42 5.023 -27.327 17.721 1.00 0.00 N ATOM 693 CA VAL A 42 5.441 -26.329 16.749 1.00 0.00 C ATOM 694 C VAL A 42 4.246 -25.405 16.562 1.00 0.00 C ATOM 695 O VAL A 42 3.098 -25.857 16.602 1.00 0.00 O ATOM 696 CB VAL A 42 5.902 -27.013 15.443 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.141 -26.032 14.285 1.00 0.00 C ATOM 698 CG2 VAL A 42 7.209 -27.774 15.691 1.00 0.00 C ATOM 0 H VAL A 42 4.301 -27.957 17.372 1.00 0.00 H new ATOM 0 HA VAL A 42 6.301 -25.749 17.083 1.00 0.00 H new ATOM 0 HB VAL A 42 5.091 -27.681 15.153 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.462 -26.583 13.401 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.217 -25.498 14.063 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.914 -25.317 14.567 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.531 -28.255 14.767 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.978 -27.077 16.024 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.049 -28.532 16.458 1.00 0.00 H new ATOM 708 N GLU A 43 4.522 -24.126 16.329 1.00 0.00 N ATOM 709 CA GLU A 43 3.542 -23.170 15.850 1.00 0.00 C ATOM 710 C GLU A 43 4.027 -22.675 14.497 1.00 0.00 C ATOM 711 O GLU A 43 5.228 -22.483 14.290 1.00 0.00 O ATOM 712 CB GLU A 43 3.384 -22.019 16.856 1.00 0.00 C ATOM 713 CG GLU A 43 2.669 -20.798 16.242 1.00 0.00 C ATOM 714 CD GLU A 43 2.490 -19.611 17.181 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.576 -19.757 18.418 1.00 0.00 O ATOM 716 OE2 GLU A 43 2.205 -18.511 16.655 1.00 0.00 O ATOM 0 H GLU A 43 5.448 -23.723 16.471 1.00 0.00 H new ATOM 0 HA GLU A 43 2.558 -23.628 15.745 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.821 -22.370 17.721 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.367 -21.718 17.217 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.232 -20.468 15.369 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.687 -21.112 15.888 1.00 0.00 H new ATOM 723 N ILE A 44 3.074 -22.400 13.614 1.00 0.00 N ATOM 724 CA ILE A 44 3.264 -21.783 12.324 1.00 0.00 C ATOM 725 C ILE A 44 2.171 -20.713 12.219 1.00 0.00 C ATOM 726 O ILE A 44 1.055 -20.910 12.704 1.00 0.00 O ATOM 727 CB ILE A 44 3.129 -22.837 11.199 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.733 -24.225 11.541 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.753 -22.276 9.916 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.542 -25.292 10.460 1.00 0.00 C ATOM 0 H ILE A 44 2.095 -22.618 13.798 1.00 0.00 H new ATOM 0 HA ILE A 44 4.257 -21.345 12.219 1.00 0.00 H new ATOM 0 HB ILE A 44 2.063 -23.021 11.066 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.800 -24.105 11.729 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.284 -24.582 12.468 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.663 -23.011 9.116 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.234 -21.362 9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.806 -22.056 10.090 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.996 -26.227 10.787 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.477 -25.447 10.286 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.016 -24.962 9.536 1.00 0.00 H new ATOM 742 N LEU A 45 2.464 -19.610 11.547 1.00 0.00 N ATOM 743 CA LEU A 45 1.504 -18.600 11.126 1.00 0.00 C ATOM 744 C LEU A 45 1.913 -18.297 9.695 1.00 0.00 C ATOM 745 O LEU A 45 3.103 -18.117 9.449 1.00 0.00 O ATOM 746 CB LEU A 45 1.598 -17.381 12.062 1.00 0.00 C ATOM 747 CG LEU A 45 0.477 -16.330 11.918 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.609 -15.318 13.064 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.499 -15.555 10.592 1.00 0.00 C ATOM 0 H LEU A 45 3.419 -19.384 11.268 1.00 0.00 H new ATOM 0 HA LEU A 45 0.461 -18.913 11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.604 -17.738 13.092 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.555 -16.888 11.890 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.464 -16.880 11.944 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.176 -14.567 12.978 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.514 -15.835 14.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.583 -14.832 13.010 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.322 -14.838 10.576 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.446 -15.024 10.497 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.389 -16.252 9.761 1.00 0.00 H new ATOM 761 N ALA A 46 0.985 -18.299 8.744 1.00 0.00 N ATOM 762 CA ALA A 46 1.300 -18.101 7.338 1.00 0.00 C ATOM 763 C ALA A 46 0.211 -17.279 6.665 1.00 0.00 C ATOM 764 O ALA A 46 -0.926 -17.244 7.131 1.00 0.00 O ATOM 765 CB ALA A 46 1.461 -19.458 6.653 1.00 0.00 C ATOM 0 H ALA A 46 -0.008 -18.438 8.929 1.00 0.00 H new ATOM 0 HA ALA A 46 2.238 -17.553 7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.697 -19.308 5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.269 -20.013 7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.532 -20.022 6.740 1.00 0.00 H new ATOM 771 N GLU A 47 0.554 -16.642 5.552 1.00 0.00 N ATOM 772 CA GLU A 47 -0.307 -15.752 4.794 1.00 0.00 C ATOM 773 C GLU A 47 -0.077 -16.059 3.320 1.00 0.00 C ATOM 774 O GLU A 47 1.073 -16.218 2.894 1.00 0.00 O ATOM 775 CB GLU A 47 0.029 -14.283 5.110 1.00 0.00 C ATOM 776 CG GLU A 47 -0.269 -13.947 6.574 1.00 0.00 C ATOM 777 CD GLU A 47 -0.034 -12.477 6.911 1.00 0.00 C ATOM 778 OE1 GLU A 47 1.125 -12.008 6.885 1.00 0.00 O ATOM 779 OE2 GLU A 47 -1.009 -11.806 7.310 1.00 0.00 O ATOM 0 H GLU A 47 1.481 -16.738 5.138 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.354 -15.904 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.082 -14.095 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.549 -13.627 4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.305 -14.203 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.357 -14.566 7.217 1.00 0.00 H new ATOM 786 N GLY A 48 -1.163 -16.175 2.555 1.00 0.00 N ATOM 787 CA GLY A 48 -1.122 -16.621 1.168 1.00 0.00 C ATOM 788 C GLY A 48 -2.531 -16.877 0.636 1.00 0.00 C ATOM 789 O GLY A 48 -3.506 -16.652 1.359 1.00 0.00 O ATOM 0 H GLY A 48 -2.103 -15.959 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.628 -15.868 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.529 -17.533 1.092 1.00 0.00 H new ATOM 793 N PRO A 49 -2.673 -17.334 -0.618 1.00 0.00 N ATOM 794 CA PRO A 49 -3.953 -17.791 -1.137 1.00 0.00 C ATOM 795 C PRO A 49 -4.361 -19.100 -0.446 1.00 0.00 C ATOM 796 O PRO A 49 -3.513 -19.893 -0.022 1.00 0.00 O ATOM 797 CB PRO A 49 -3.749 -17.949 -2.646 1.00 0.00 C ATOM 798 CG PRO A 49 -2.256 -18.242 -2.784 1.00 0.00 C ATOM 799 CD PRO A 49 -1.619 -17.496 -1.609 1.00 0.00 C ATOM 0 HA PRO A 49 -4.767 -17.092 -0.942 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.355 -18.761 -3.049 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.030 -17.044 -3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.053 -19.312 -2.734 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.867 -17.888 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.780 -18.058 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.229 -16.529 -1.926 1.00 0.00 H new ATOM 807 N GLU A 50 -5.671 -19.341 -0.355 1.00 0.00 N ATOM 808 CA GLU A 50 -6.223 -20.439 0.432 1.00 0.00 C ATOM 809 C GLU A 50 -5.698 -21.794 -0.053 1.00 0.00 C ATOM 810 O GLU A 50 -5.350 -22.632 0.771 1.00 0.00 O ATOM 811 CB GLU A 50 -7.757 -20.374 0.389 1.00 0.00 C ATOM 812 CG GLU A 50 -8.410 -21.367 1.361 1.00 0.00 C ATOM 813 CD GLU A 50 -9.945 -21.259 1.328 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.586 -21.924 0.483 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.530 -20.524 2.155 1.00 0.00 O ATOM 0 H GLU A 50 -6.378 -18.777 -0.827 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.898 -20.334 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.083 -19.363 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.099 -20.583 -0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.110 -22.382 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.052 -21.177 2.373 1.00 0.00 H new ATOM 822 N ASN A 51 -5.579 -22.010 -1.368 1.00 0.00 N ATOM 823 CA ASN A 51 -5.097 -23.289 -1.903 1.00 0.00 C ATOM 824 C ASN A 51 -3.645 -23.566 -1.504 1.00 0.00 C ATOM 825 O ASN A 51 -3.286 -24.702 -1.184 1.00 0.00 O ATOM 826 CB ASN A 51 -5.227 -23.317 -3.431 1.00 0.00 C ATOM 827 CG ASN A 51 -4.695 -24.635 -3.993 1.00 0.00 C ATOM 828 OD1 ASN A 51 -5.265 -25.696 -3.759 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.601 -24.605 -4.738 1.00 0.00 N ATOM 0 H ASN A 51 -5.809 -21.317 -2.080 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.720 -24.072 -1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.272 -23.190 -3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.675 -22.482 -3.863 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.223 -25.470 -5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.136 -23.717 -4.926 1.00 0.00 H new ATOM 836 N ALA A 52 -2.809 -22.523 -1.499 1.00 0.00 N ATOM 837 CA ALA A 52 -1.427 -22.644 -1.060 1.00 0.00 C ATOM 838 C ALA A 52 -1.399 -22.977 0.429 1.00 0.00 C ATOM 839 O ALA A 52 -0.668 -23.877 0.833 1.00 0.00 O ATOM 840 CB ALA A 52 -0.651 -21.357 -1.357 1.00 0.00 C ATOM 0 H ALA A 52 -3.073 -21.584 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.941 -23.450 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.380 -21.468 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.664 -21.163 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.116 -20.523 -0.832 1.00 0.00 H new ATOM 846 N LEU A 53 -2.213 -22.299 1.243 1.00 0.00 N ATOM 847 CA LEU A 53 -2.258 -22.550 2.677 1.00 0.00 C ATOM 848 C LEU A 53 -2.822 -23.942 2.991 1.00 0.00 C ATOM 849 O LEU A 53 -2.337 -24.595 3.913 1.00 0.00 O ATOM 850 CB LEU A 53 -3.056 -21.440 3.373 1.00 0.00 C ATOM 851 CG LEU A 53 -2.383 -20.051 3.309 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.289 -19.004 3.953 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.022 -20.016 4.014 1.00 0.00 C ATOM 0 H LEU A 53 -2.851 -21.569 0.926 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.239 -22.537 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.044 -21.376 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.204 -21.713 4.418 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.221 -19.833 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.808 -18.027 3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.239 -18.968 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.468 -19.269 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.598 -19.015 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.150 -20.275 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.350 -20.733 3.543 1.00 0.00 H new ATOM 865 N GLN A 54 -3.790 -24.440 2.218 1.00 0.00 N ATOM 866 CA GLN A 54 -4.310 -25.793 2.363 1.00 0.00 C ATOM 867 C GLN A 54 -3.216 -26.816 2.064 1.00 0.00 C ATOM 868 O GLN A 54 -2.978 -27.703 2.883 1.00 0.00 O ATOM 869 CB GLN A 54 -5.519 -26.001 1.435 1.00 0.00 C ATOM 870 CG GLN A 54 -6.817 -25.376 1.970 1.00 0.00 C ATOM 871 CD GLN A 54 -7.331 -26.092 3.220 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.111 -25.644 4.342 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.012 -27.217 3.067 1.00 0.00 N ATOM 0 H GLN A 54 -4.235 -23.908 1.470 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.639 -25.935 3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.295 -25.573 0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.674 -27.070 1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.644 -24.325 2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.581 -25.410 1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.190 -27.582 2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.358 -27.719 3.885 1.00 0.00 H new ATOM 882 N SER A 55 -2.519 -26.707 0.928 1.00 0.00 N ATOM 883 CA SER A 55 -1.479 -27.680 0.602 1.00 0.00 C ATOM 884 C SER A 55 -0.308 -27.589 1.592 1.00 0.00 C ATOM 885 O SER A 55 0.317 -28.598 1.918 1.00 0.00 O ATOM 886 CB SER A 55 -1.043 -27.521 -0.857 1.00 0.00 C ATOM 887 OG SER A 55 -0.542 -26.224 -1.130 1.00 0.00 O ATOM 0 H SER A 55 -2.653 -25.971 0.235 1.00 0.00 H new ATOM 0 HA SER A 55 -1.886 -28.686 0.706 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.276 -28.260 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.890 -27.726 -1.512 1.00 0.00 H new ATOM 0 HG SER A 55 -0.667 -25.653 -0.344 1.00 0.00 H new ATOM 893 N PHE A 56 -0.027 -26.389 2.104 1.00 0.00 N ATOM 894 CA PHE A 56 0.972 -26.157 3.136 1.00 0.00 C ATOM 895 C PHE A 56 0.584 -26.922 4.406 1.00 0.00 C ATOM 896 O PHE A 56 1.425 -27.633 4.952 1.00 0.00 O ATOM 897 CB PHE A 56 1.084 -24.644 3.363 1.00 0.00 C ATOM 898 CG PHE A 56 2.045 -24.166 4.429 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.433 -24.298 4.243 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.553 -23.479 5.555 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.326 -23.730 5.168 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.446 -22.905 6.474 1.00 0.00 C ATOM 903 CZ PHE A 56 3.833 -23.014 6.272 1.00 0.00 C ATOM 0 H PHE A 56 -0.500 -25.537 1.803 1.00 0.00 H new ATOM 0 HA PHE A 56 1.952 -26.527 2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.373 -24.183 2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.092 -24.267 3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.813 -24.837 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.488 -23.393 5.712 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.391 -23.844 5.030 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.067 -22.379 7.338 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.519 -22.548 6.964 1.00 0.00 H new ATOM 913 N VAL A 57 -0.685 -26.868 4.840 1.00 0.00 N ATOM 914 CA VAL A 57 -1.173 -27.683 5.952 1.00 0.00 C ATOM 915 C VAL A 57 -0.950 -29.165 5.639 1.00 0.00 C ATOM 916 O VAL A 57 -0.404 -29.877 6.482 1.00 0.00 O ATOM 917 CB VAL A 57 -2.652 -27.363 6.279 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.307 -28.401 7.208 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.779 -26.000 6.970 1.00 0.00 C ATOM 0 H VAL A 57 -1.394 -26.260 4.430 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.606 -27.440 6.850 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.163 -27.372 5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.342 -28.118 7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.280 -29.382 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.763 -28.439 8.152 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.828 -25.799 7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.210 -26.009 7.899 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.390 -25.222 6.314 1.00 0.00 H new ATOM 929 N GLU A 58 -1.323 -29.633 4.441 1.00 0.00 N ATOM 930 CA GLU A 58 -1.205 -31.042 4.069 1.00 0.00 C ATOM 931 C GLU A 58 0.247 -31.520 4.202 1.00 0.00 C ATOM 932 O GLU A 58 0.498 -32.619 4.702 1.00 0.00 O ATOM 933 CB GLU A 58 -1.742 -31.286 2.648 1.00 0.00 C ATOM 934 CG GLU A 58 -3.267 -31.146 2.521 1.00 0.00 C ATOM 935 CD GLU A 58 -4.019 -32.311 3.183 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.170 -33.382 2.552 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.469 -32.171 4.341 1.00 0.00 O ATOM 0 H GLU A 58 -1.714 -29.044 3.706 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.816 -31.626 4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.265 -30.583 1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.452 -32.287 2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.582 -30.208 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.538 -31.095 1.466 1.00 0.00 H new ATOM 944 N ALA A 59 1.204 -30.675 3.811 1.00 0.00 N ATOM 945 CA ALA A 59 2.628 -30.944 3.946 1.00 0.00 C ATOM 946 C ALA A 59 3.052 -30.961 5.419 1.00 0.00 C ATOM 947 O ALA A 59 3.800 -31.845 5.837 1.00 0.00 O ATOM 948 CB ALA A 59 3.431 -29.902 3.159 1.00 0.00 C ATOM 0 H ALA A 59 1.002 -29.770 3.385 1.00 0.00 H new ATOM 0 HA ALA A 59 2.834 -31.932 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.496 -30.108 3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.154 -29.949 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.214 -28.907 3.547 1.00 0.00 H new ATOM 954 N VAL A 60 2.561 -30.019 6.227 1.00 0.00 N ATOM 955 CA VAL A 60 2.839 -29.956 7.659 1.00 0.00 C ATOM 956 C VAL A 60 2.340 -31.222 8.369 1.00 0.00 C ATOM 957 O VAL A 60 2.997 -31.665 9.312 1.00 0.00 O ATOM 958 CB VAL A 60 2.258 -28.646 8.240 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.263 -28.606 9.773 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.069 -27.437 7.744 1.00 0.00 C ATOM 0 H VAL A 60 1.952 -29.270 5.899 1.00 0.00 H new ATOM 0 HA VAL A 60 3.915 -29.931 7.831 1.00 0.00 H new ATOM 0 HB VAL A 60 1.224 -28.606 7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.842 -27.660 10.114 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.664 -29.430 10.160 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.286 -28.700 10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.649 -26.522 8.161 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.106 -27.539 8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.027 -27.393 6.656 1.00 0.00 H new ATOM 970 N LYS A 61 1.247 -31.859 7.917 1.00 0.00 N ATOM 971 CA LYS A 61 0.816 -33.129 8.518 1.00 0.00 C ATOM 972 C LYS A 61 1.892 -34.210 8.372 1.00 0.00 C ATOM 973 O LYS A 61 1.985 -35.085 9.232 1.00 0.00 O ATOM 974 CB LYS A 61 -0.508 -33.670 7.953 1.00 0.00 C ATOM 975 CG LYS A 61 -1.602 -32.623 7.720 1.00 0.00 C ATOM 976 CD LYS A 61 -3.001 -33.214 7.501 1.00 0.00 C ATOM 977 CE LYS A 61 -3.019 -34.286 6.400 1.00 0.00 C ATOM 978 NZ LYS A 61 -4.377 -34.489 5.848 1.00 0.00 N ATOM 0 H LYS A 61 0.658 -31.524 7.155 1.00 0.00 H new ATOM 0 HA LYS A 61 0.654 -32.896 9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.302 -34.171 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.893 -34.426 8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.634 -31.950 8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.334 -32.021 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.358 -33.650 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.693 -32.414 7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.341 -33.994 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.647 -35.228 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.369 -35.299 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.043 -34.677 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.675 -33.634 5.336 1.00 0.00 H new ATOM 992 N ASN A 62 2.686 -34.179 7.293 1.00 0.00 N ATOM 993 CA ASN A 62 3.812 -35.087 7.125 1.00 0.00 C ATOM 994 C ASN A 62 4.995 -34.628 7.975 1.00 0.00 C ATOM 995 O ASN A 62 5.617 -35.442 8.656 1.00 0.00 O ATOM 996 CB ASN A 62 4.237 -35.190 5.653 1.00 0.00 C ATOM 997 CG ASN A 62 5.232 -36.332 5.460 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.837 -37.471 5.229 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.528 -36.078 5.544 1.00 0.00 N ATOM 0 H ASN A 62 2.561 -33.525 6.520 1.00 0.00 H new ATOM 0 HA ASN A 62 3.491 -36.075 7.456 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.360 -35.354 5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.687 -34.250 5.332 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.205 -36.831 5.417 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.850 -35.130 5.736 1.00 0.00 H new ATOM 1006 N GLY A 63 5.286 -33.325 7.942 1.00 0.00 N ATOM 1007 CA GLY A 63 6.486 -32.750 8.535 1.00 0.00 C ATOM 1008 C GLY A 63 7.734 -33.158 7.750 1.00 0.00 C ATOM 1009 O GLY A 63 7.633 -33.731 6.658 1.00 0.00 O ATOM 0 H GLY A 63 4.683 -32.634 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.402 -31.663 8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.579 -33.080 9.570 1.00 0.00 H new ATOM 1013 N SER A 64 8.915 -32.891 8.314 1.00 0.00 N ATOM 1014 CA SER A 64 10.170 -33.465 7.835 1.00 0.00 C ATOM 1015 C SER A 64 10.058 -35.000 7.805 1.00 0.00 C ATOM 1016 O SER A 64 9.315 -35.547 8.626 1.00 0.00 O ATOM 1017 CB SER A 64 11.314 -33.049 8.770 1.00 0.00 C ATOM 1018 OG SER A 64 11.233 -31.676 9.097 1.00 0.00 O ATOM 0 H SER A 64 9.025 -32.270 9.116 1.00 0.00 H new ATOM 0 HA SER A 64 10.375 -33.100 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.277 -33.645 9.682 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.271 -33.256 8.292 1.00 0.00 H new ATOM 0 HG SER A 64 11.870 -31.472 9.814 1.00 0.00 H new ATOM 1024 N PRO A 65 10.809 -35.723 6.953 1.00 0.00 N ATOM 1025 CA PRO A 65 10.733 -37.182 6.848 1.00 0.00 C ATOM 1026 C PRO A 65 10.841 -37.944 8.179 1.00 0.00 C ATOM 1027 O PRO A 65 10.250 -39.016 8.327 1.00 0.00 O ATOM 1028 CB PRO A 65 11.866 -37.581 5.897 1.00 0.00 C ATOM 1029 CG PRO A 65 12.025 -36.352 5.004 1.00 0.00 C ATOM 1030 CD PRO A 65 11.723 -35.192 5.951 1.00 0.00 C ATOM 0 HA PRO A 65 9.743 -37.458 6.484 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.785 -37.806 6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.611 -38.469 5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.031 -36.282 4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.334 -36.374 4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.636 -34.818 6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.272 -34.357 5.415 1.00 0.00 H new ATOM 1038 N PHE A 66 11.590 -37.399 9.141 1.00 0.00 N ATOM 1039 CA PHE A 66 11.846 -38.021 10.440 1.00 0.00 C ATOM 1040 C PHE A 66 10.730 -37.751 11.467 1.00 0.00 C ATOM 1041 O PHE A 66 10.786 -38.284 12.577 1.00 0.00 O ATOM 1042 CB PHE A 66 13.198 -37.517 10.975 1.00 0.00 C ATOM 1043 CG PHE A 66 14.342 -37.588 9.977 1.00 0.00 C ATOM 1044 CD1 PHE A 66 14.852 -38.837 9.573 1.00 0.00 C ATOM 1045 CD2 PHE A 66 14.880 -36.405 9.429 1.00 0.00 C ATOM 1046 CE1 PHE A 66 15.889 -38.904 8.625 1.00 0.00 C ATOM 1047 CE2 PHE A 66 15.917 -36.474 8.482 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.422 -37.723 8.079 1.00 0.00 C ATOM 0 H PHE A 66 12.045 -36.492 9.035 1.00 0.00 H new ATOM 0 HA PHE A 66 11.870 -39.101 10.293 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.082 -36.483 11.301 1.00 0.00 H new ATOM 0 HB3 PHE A 66 13.465 -38.101 11.856 1.00 0.00 H new ATOM 0 HD1 PHE A 66 14.446 -39.746 9.992 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.495 -35.444 9.737 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.276 -39.864 8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.326 -35.566 8.063 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.218 -37.775 7.351 1.00 0.00 H new ATOM 1058 N SER A 67 9.745 -36.906 11.143 1.00 0.00 N ATOM 1059 CA SER A 67 8.668 -36.536 12.052 1.00 0.00 C ATOM 1060 C SER A 67 7.709 -37.712 12.270 1.00 0.00 C ATOM 1061 O SER A 67 7.647 -38.655 11.474 1.00 0.00 O ATOM 1062 CB SER A 67 7.881 -35.335 11.505 1.00 0.00 C ATOM 1063 OG SER A 67 8.737 -34.329 11.002 1.00 0.00 O ATOM 0 H SER A 67 9.678 -36.457 10.229 1.00 0.00 H new ATOM 0 HA SER A 67 9.122 -36.264 13.005 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.211 -35.670 10.714 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.257 -34.919 12.296 1.00 0.00 H new ATOM 0 HG SER A 67 9.091 -34.606 10.131 1.00 0.00 H new ATOM 1069 N LYS A 68 6.899 -37.600 13.319 1.00 0.00 N ATOM 1070 CA LYS A 68 5.755 -38.455 13.605 1.00 0.00 C ATOM 1071 C LYS A 68 4.727 -37.558 14.290 1.00 0.00 C ATOM 1072 O LYS A 68 4.686 -37.483 15.519 1.00 0.00 O ATOM 1073 CB LYS A 68 6.194 -39.680 14.441 1.00 0.00 C ATOM 1074 CG LYS A 68 5.289 -40.912 14.267 1.00 0.00 C ATOM 1075 CD LYS A 68 3.822 -40.697 14.667 1.00 0.00 C ATOM 1076 CE LYS A 68 3.044 -42.011 14.506 1.00 0.00 C ATOM 1077 NZ LYS A 68 1.600 -41.854 14.816 1.00 0.00 N ATOM 0 H LYS A 68 7.030 -36.876 14.025 1.00 0.00 H new ATOM 0 HA LYS A 68 5.308 -38.887 12.710 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.214 -39.949 14.165 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.212 -39.401 15.494 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.324 -41.226 13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.696 -41.731 14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.763 -40.352 15.699 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.376 -39.920 14.046 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.156 -42.374 13.484 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.474 -42.768 15.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.117 -42.767 14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.489 -41.533 15.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.181 -41.152 14.173 1.00 0.00 H new ATOM 1091 N VAL A 69 3.965 -36.803 13.499 1.00 0.00 N ATOM 1092 CA VAL A 69 2.870 -35.977 14.003 1.00 0.00 C ATOM 1093 C VAL A 69 1.859 -36.904 14.696 1.00 0.00 C ATOM 1094 O VAL A 69 1.567 -37.991 14.189 1.00 0.00 O ATOM 1095 CB VAL A 69 2.241 -35.183 12.831 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.026 -34.346 13.261 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.262 -34.231 12.184 1.00 0.00 C ATOM 0 H VAL A 69 4.091 -36.747 12.488 1.00 0.00 H new ATOM 0 HA VAL A 69 3.221 -35.244 14.730 1.00 0.00 H new ATOM 0 HB VAL A 69 1.917 -35.939 12.116 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.628 -33.812 12.398 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.257 -35.003 13.668 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.330 -33.628 14.023 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.787 -33.690 11.366 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.620 -33.521 12.929 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.103 -34.807 11.798 1.00 0.00 H new ATOM 1107 N THR A 70 1.298 -36.469 15.825 1.00 0.00 N ATOM 1108 CA THR A 70 0.265 -37.189 16.565 1.00 0.00 C ATOM 1109 C THR A 70 -1.012 -36.350 16.686 1.00 0.00 C ATOM 1110 O THR A 70 -2.099 -36.912 16.835 1.00 0.00 O ATOM 1111 CB THR A 70 0.803 -37.597 17.949 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.239 -36.453 18.658 1.00 0.00 O ATOM 1113 CG2 THR A 70 1.981 -38.571 17.841 1.00 0.00 C ATOM 0 H THR A 70 1.557 -35.583 16.260 1.00 0.00 H new ATOM 0 HA THR A 70 0.004 -38.094 16.016 1.00 0.00 H new ATOM 0 HB THR A 70 -0.015 -38.089 18.475 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.578 -36.722 19.537 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.330 -38.833 18.840 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.660 -39.473 17.321 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.792 -38.101 17.285 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.912 -35.021 16.576 1.00 0.00 N ATOM 1122 CA ASP A 71 -2.040 -34.095 16.608 1.00 0.00 C ATOM 1123 C ASP A 71 -1.644 -32.824 15.861 1.00 0.00 C ATOM 1124 O ASP A 71 -0.464 -32.464 15.814 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.425 -33.777 18.062 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.554 -32.742 18.159 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.591 -32.913 17.479 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.413 -31.779 18.946 1.00 0.00 O ATOM 0 H ASP A 71 -0.015 -34.550 16.459 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.908 -34.545 16.126 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.734 -34.695 18.561 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.549 -33.405 18.593 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.623 -32.150 15.262 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.450 -30.918 14.508 1.00 0.00 C ATOM 1135 C ILE A 72 -3.766 -30.135 14.619 1.00 0.00 C ATOM 1136 O ILE A 72 -4.844 -30.736 14.683 1.00 0.00 O ATOM 1137 CB ILE A 72 -2.019 -31.234 13.048 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.684 -29.937 12.277 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -3.038 -32.112 12.289 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.180 -30.162 10.846 1.00 0.00 C ATOM 0 H ILE A 72 -3.594 -32.462 15.292 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.648 -30.298 14.908 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.110 -31.832 13.113 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.575 -29.310 12.241 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.927 -29.384 12.833 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.677 -32.296 11.277 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.158 -33.062 12.809 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.999 -31.599 12.244 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.969 -29.200 10.379 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.269 -30.761 10.871 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.943 -30.686 10.270 1.00 0.00 H new ATOM 1152 N SER A 73 -3.682 -28.807 14.625 1.00 0.00 N ATOM 1153 CA SER A 73 -4.814 -27.896 14.726 1.00 0.00 C ATOM 1154 C SER A 73 -4.566 -26.721 13.780 1.00 0.00 C ATOM 1155 O SER A 73 -3.411 -26.368 13.527 1.00 0.00 O ATOM 1156 CB SER A 73 -4.955 -27.398 16.175 1.00 0.00 C ATOM 1157 OG SER A 73 -4.979 -28.465 17.114 1.00 0.00 O ATOM 0 H SER A 73 -2.789 -28.320 14.557 1.00 0.00 H new ATOM 0 HA SER A 73 -5.738 -28.405 14.450 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.126 -26.730 16.409 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.871 -26.814 16.268 1.00 0.00 H new ATOM 0 HG SER A 73 -5.068 -28.102 18.020 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.637 -26.109 13.269 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.578 -25.005 12.315 1.00 0.00 C ATOM 1165 C VAL A 74 -6.638 -23.976 12.726 1.00 0.00 C ATOM 1166 O VAL A 74 -7.726 -24.343 13.181 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.812 -25.520 10.872 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.589 -24.415 9.825 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.903 -26.704 10.500 1.00 0.00 C ATOM 0 H VAL A 74 -6.590 -26.376 13.514 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.593 -24.539 12.326 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.851 -25.849 10.862 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.763 -24.818 8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.281 -23.593 10.010 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.565 -24.049 9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.115 -27.018 9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.859 -26.399 10.577 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.090 -27.534 11.181 1.00 0.00 H new ATOM 1179 N THR A 75 -6.327 -22.699 12.522 1.00 0.00 N ATOM 1180 CA THR A 75 -7.243 -21.567 12.612 1.00 0.00 C ATOM 1181 C THR A 75 -6.921 -20.670 11.407 1.00 0.00 C ATOM 1182 O THR A 75 -5.822 -20.756 10.851 1.00 0.00 O ATOM 1183 CB THR A 75 -7.046 -20.826 13.955 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.848 -21.723 15.036 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.240 -19.936 14.318 1.00 0.00 C ATOM 0 H THR A 75 -5.380 -22.411 12.277 1.00 0.00 H new ATOM 0 HA THR A 75 -8.287 -21.878 12.588 1.00 0.00 H new ATOM 0 HB THR A 75 -6.158 -20.212 13.804 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.726 -21.215 15.865 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.048 -19.440 15.269 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.384 -19.186 13.540 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.138 -20.548 14.403 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.846 -19.811 10.983 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.658 -18.946 9.825 1.00 0.00 C ATOM 1195 C GLU A 76 -8.440 -17.638 9.987 1.00 0.00 C ATOM 1196 O GLU A 76 -9.367 -17.557 10.799 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.014 -19.690 8.522 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.495 -20.054 8.334 1.00 0.00 C ATOM 1199 CD GLU A 76 -9.997 -21.142 9.303 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -9.658 -22.333 9.120 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.778 -20.825 10.229 1.00 0.00 O ATOM 0 H GLU A 76 -8.752 -19.697 11.438 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.604 -18.677 9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.703 -19.073 7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.427 -20.608 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.099 -19.157 8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.649 -20.394 7.310 1.00 0.00 H new ATOM 1208 N SER A 77 -8.063 -16.635 9.194 1.00 0.00 N ATOM 1209 CA SER A 77 -8.590 -15.277 9.231 1.00 0.00 C ATOM 1210 C SER A 77 -8.602 -14.719 7.807 1.00 0.00 C ATOM 1211 O SER A 77 -7.656 -14.935 7.043 1.00 0.00 O ATOM 1212 CB SER A 77 -7.687 -14.392 10.110 1.00 0.00 C ATOM 1213 OG SER A 77 -7.517 -14.930 11.414 1.00 0.00 O ATOM 0 H SER A 77 -7.349 -16.756 8.476 1.00 0.00 H new ATOM 0 HA SER A 77 -9.598 -15.285 9.645 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.713 -14.283 9.634 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.119 -13.394 10.184 1.00 0.00 H new ATOM 0 HG SER A 77 -6.937 -14.340 11.938 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.654 -13.969 7.457 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.630 -13.114 6.267 1.00 0.00 C ATOM 1221 C ARG A 78 -8.705 -11.920 6.516 1.00 0.00 C ATOM 1222 O ARG A 78 -8.008 -11.485 5.600 1.00 0.00 O ATOM 1223 CB ARG A 78 -11.046 -12.619 5.910 1.00 0.00 C ATOM 1224 CG ARG A 78 -12.106 -13.714 5.697 1.00 0.00 C ATOM 1225 CD ARG A 78 -11.753 -14.722 4.597 1.00 0.00 C ATOM 1226 NE ARG A 78 -11.674 -14.100 3.262 1.00 0.00 N ATOM 1227 CZ ARG A 78 -11.784 -14.743 2.091 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -11.983 -16.059 2.054 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -11.697 -14.060 0.955 1.00 0.00 N ATOM 0 H ARG A 78 -10.529 -13.938 7.980 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.256 -13.699 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.390 -11.957 6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.982 -12.020 5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.251 -14.251 6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.057 -13.241 5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.798 -15.191 4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.502 -15.514 4.581 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.522 -13.092 3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.053 -16.589 2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.065 -16.537 1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.547 -13.051 0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.780 -14.544 0.061 1.00 0.00 H new ATOM 1243 N SER A 79 -8.702 -11.398 7.747 1.00 0.00 N ATOM 1244 CA SER A 79 -7.804 -10.359 8.213 1.00 0.00 C ATOM 1245 C SER A 79 -6.351 -10.823 8.085 1.00 0.00 C ATOM 1246 O SER A 79 -6.060 -12.021 8.151 1.00 0.00 O ATOM 1247 CB SER A 79 -8.146 -10.027 9.672 1.00 0.00 C ATOM 1248 OG SER A 79 -9.551 -9.890 9.846 1.00 0.00 O ATOM 0 H SER A 79 -9.355 -11.706 8.468 1.00 0.00 H new ATOM 0 HA SER A 79 -7.924 -9.463 7.604 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.770 -10.814 10.326 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.647 -9.103 9.965 1.00 0.00 H new ATOM 0 HG SER A 79 -9.746 -9.680 10.783 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.442 -9.861 7.943 1.00 0.00 N ATOM 1255 CA LEU A 80 -4.025 -10.081 7.675 1.00 0.00 C ATOM 1256 C LEU A 80 -3.176 -9.279 8.662 1.00 0.00 C ATOM 1257 O LEU A 80 -3.665 -8.385 9.356 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.675 -9.644 6.235 1.00 0.00 C ATOM 1259 CG LEU A 80 -4.447 -10.341 5.100 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -4.016 -9.733 3.762 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.223 -11.857 5.068 1.00 0.00 C ATOM 0 H LEU A 80 -5.682 -8.872 8.014 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.815 -11.144 7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.844 -8.570 6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.610 -9.812 6.077 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.510 -10.182 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.557 -10.219 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.239 -8.666 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.945 -9.880 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.793 -12.292 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.163 -12.065 4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.554 -12.294 6.010 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.881 -9.572 8.662 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.818 -8.854 9.351 1.00 0.00 C ATOM 1275 C GLU A 81 0.207 -8.372 8.312 1.00 0.00 C ATOM 1276 O GLU A 81 0.768 -7.284 8.457 1.00 0.00 O ATOM 1277 CB GLU A 81 -0.195 -9.794 10.398 1.00 0.00 C ATOM 1278 CG GLU A 81 0.857 -9.136 11.303 1.00 0.00 C ATOM 1279 CD GLU A 81 0.254 -8.053 12.219 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -0.346 -8.396 13.264 1.00 0.00 O ATOM 1281 OE2 GLU A 81 0.392 -6.846 11.921 1.00 0.00 O ATOM 0 H GLU A 81 -1.522 -10.374 8.144 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.198 -7.975 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.991 -10.198 11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.265 -10.637 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.334 -9.901 11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.637 -8.691 10.684 1.00 0.00 H new ATOM 1288 N GLY A 82 0.384 -9.123 7.220 1.00 0.00 N ATOM 1289 CA GLY A 82 1.192 -8.721 6.078 1.00 0.00 C ATOM 1290 C GLY A 82 2.678 -8.769 6.418 1.00 0.00 C ATOM 1291 O GLY A 82 3.370 -7.753 6.302 1.00 0.00 O ATOM 0 H GLY A 82 -0.041 -10.044 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.987 -9.378 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.918 -7.712 5.771 1.00 0.00 H new ATOM 1295 N HIS A 83 3.155 -9.924 6.893 1.00 0.00 N ATOM 1296 CA HIS A 83 4.557 -10.144 7.233 1.00 0.00 C ATOM 1297 C HIS A 83 5.460 -9.828 6.029 1.00 0.00 C ATOM 1298 O HIS A 83 5.087 -10.072 4.878 1.00 0.00 O ATOM 1299 CB HIS A 83 4.752 -11.595 7.696 1.00 0.00 C ATOM 1300 CG HIS A 83 4.053 -11.938 8.988 1.00 0.00 C ATOM 1301 ND1 HIS A 83 2.714 -12.206 9.136 1.00 0.00 N ATOM 1302 CD2 HIS A 83 4.632 -12.083 10.221 1.00 0.00 C ATOM 1303 CE1 HIS A 83 2.484 -12.490 10.428 1.00 0.00 C ATOM 1304 NE2 HIS A 83 3.626 -12.430 11.133 1.00 0.00 N ATOM 0 H HIS A 83 2.566 -10.742 7.053 1.00 0.00 H new ATOM 0 HA HIS A 83 4.838 -9.474 8.046 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.392 -12.264 6.914 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.819 -11.786 7.813 1.00 0.00 H new ATOM 0 HD1 HIS A 83 2.015 -12.192 8.393 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.679 -11.953 10.450 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.517 -12.733 10.842 1.00 0.00 H new ATOM 1312 N HIS A 84 6.661 -9.306 6.297 1.00 0.00 N ATOM 1313 CA HIS A 84 7.619 -8.916 5.260 1.00 0.00 C ATOM 1314 C HIS A 84 8.175 -10.134 4.506 1.00 0.00 C ATOM 1315 O HIS A 84 8.473 -10.045 3.312 1.00 0.00 O ATOM 1316 CB HIS A 84 8.757 -8.116 5.914 1.00 0.00 C ATOM 1317 CG HIS A 84 9.774 -7.584 4.932 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.623 -6.490 4.107 1.00 0.00 N ATOM 1319 CD2 HIS A 84 11.019 -8.102 4.690 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.749 -6.353 3.388 1.00 0.00 C ATOM 1321 NE2 HIS A 84 11.636 -7.315 3.707 1.00 0.00 N ATOM 0 H HIS A 84 6.997 -9.141 7.246 1.00 0.00 H new ATOM 0 HA HIS A 84 7.105 -8.299 4.523 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.329 -7.280 6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.265 -8.752 6.639 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.450 -8.967 5.173 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.920 -5.578 2.655 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.568 -7.445 3.313 1.00 0.00 H new ATOM 1329 N ARG A 85 8.321 -11.270 5.194 1.00 0.00 N ATOM 1330 CA ARG A 85 8.872 -12.522 4.676 1.00 0.00 C ATOM 1331 C ARG A 85 8.266 -13.674 5.478 1.00 0.00 C ATOM 1332 O ARG A 85 7.380 -13.441 6.305 1.00 0.00 O ATOM 1333 CB ARG A 85 10.417 -12.496 4.761 1.00 0.00 C ATOM 1334 CG ARG A 85 10.955 -12.492 6.203 1.00 0.00 C ATOM 1335 CD ARG A 85 12.479 -12.620 6.246 1.00 0.00 C ATOM 1336 NE ARG A 85 12.922 -12.893 7.621 1.00 0.00 N ATOM 1337 CZ ARG A 85 14.167 -12.788 8.099 1.00 0.00 C ATOM 1338 NH1 ARG A 85 15.170 -12.415 7.308 1.00 0.00 N ATOM 1339 NH2 ARG A 85 14.395 -13.062 9.379 1.00 0.00 N ATOM 0 H ARG A 85 8.045 -11.343 6.173 1.00 0.00 H new ATOM 0 HA ARG A 85 8.618 -12.656 3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.816 -13.364 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.786 -11.612 4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.654 -11.569 6.700 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.506 -13.315 6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.804 -13.423 5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.940 -11.702 5.882 1.00 0.00 H new ATOM 0 HE ARG A 85 12.204 -13.194 8.280 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.994 -12.205 6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.115 -12.339 7.684 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.625 -13.348 9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.340 -12.986 9.756 1.00 0.00 H new ATOM 1353 N PHE A 86 8.750 -14.900 5.283 1.00 0.00 N ATOM 1354 CA PHE A 86 8.496 -15.995 6.209 1.00 0.00 C ATOM 1355 C PHE A 86 9.754 -16.197 7.057 1.00 0.00 C ATOM 1356 O PHE A 86 10.851 -16.280 6.499 1.00 0.00 O ATOM 1357 CB PHE A 86 8.101 -17.254 5.432 1.00 0.00 C ATOM 1358 CG PHE A 86 7.521 -18.328 6.325 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.372 -19.218 7.004 1.00 0.00 C ATOM 1360 CD2 PHE A 86 6.127 -18.416 6.506 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.836 -20.198 7.850 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.592 -19.381 7.373 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.447 -20.271 8.041 1.00 0.00 C ATOM 0 H PHE A 86 9.326 -15.158 4.482 1.00 0.00 H new ATOM 0 HA PHE A 86 7.663 -15.767 6.874 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.372 -16.990 4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.977 -17.648 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.442 -19.146 6.873 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.470 -17.741 5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.489 -20.895 8.354 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.524 -19.439 7.526 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.034 -21.016 8.705 1.00 0.00 H new ATOM 1373 N SER A 87 9.614 -16.293 8.382 1.00 0.00 N ATOM 1374 CA SER A 87 10.751 -16.307 9.304 1.00 0.00 C ATOM 1375 C SER A 87 10.719 -17.538 10.211 1.00 0.00 C ATOM 1376 O SER A 87 9.677 -17.888 10.769 1.00 0.00 O ATOM 1377 CB SER A 87 10.705 -15.038 10.165 1.00 0.00 C ATOM 1378 OG SER A 87 10.811 -13.871 9.365 1.00 0.00 O ATOM 0 H SER A 87 8.708 -16.363 8.845 1.00 0.00 H new ATOM 0 HA SER A 87 11.671 -16.342 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.773 -15.012 10.729 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.517 -15.059 10.892 1.00 0.00 H new ATOM 0 HG SER A 87 10.777 -13.077 9.939 1.00 0.00 H new ATOM 1384 N ILE A 88 11.877 -18.160 10.432 1.00 0.00 N ATOM 1385 CA ILE A 88 12.064 -19.029 11.586 1.00 0.00 C ATOM 1386 C ILE A 88 12.230 -18.099 12.797 1.00 0.00 C ATOM 1387 O ILE A 88 12.901 -17.066 12.711 1.00 0.00 O ATOM 1388 CB ILE A 88 13.271 -19.969 11.359 1.00 0.00 C ATOM 1389 CG1 ILE A 88 13.023 -20.880 10.130 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.522 -20.825 12.613 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.291 -21.578 9.626 1.00 0.00 C ATOM 0 H ILE A 88 12.695 -18.077 9.828 1.00 0.00 H new ATOM 0 HA ILE A 88 11.216 -19.692 11.754 1.00 0.00 H new ATOM 0 HB ILE A 88 14.154 -19.360 11.167 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.280 -21.634 10.390 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.601 -20.282 9.323 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.374 -21.482 12.440 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.732 -20.174 13.462 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.638 -21.426 12.826 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.046 -22.200 8.765 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.028 -20.829 9.335 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.702 -22.203 10.419 1.00 0.00 H new ATOM 1403 N VAL A 89 11.616 -18.469 13.916 1.00 0.00 N ATOM 1404 CA VAL A 89 11.578 -17.728 15.167 1.00 0.00 C ATOM 1405 C VAL A 89 11.903 -18.739 16.281 1.00 0.00 C ATOM 1406 O VAL A 89 11.747 -19.953 16.100 1.00 0.00 O ATOM 1407 CB VAL A 89 10.193 -17.037 15.288 1.00 0.00 C ATOM 1408 CG1 VAL A 89 9.990 -16.300 16.621 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.966 -16.014 14.159 1.00 0.00 C ATOM 0 H VAL A 89 11.101 -19.348 13.975 1.00 0.00 H new ATOM 0 HA VAL A 89 12.309 -16.922 15.232 1.00 0.00 H new ATOM 0 HB VAL A 89 9.476 -17.855 15.222 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.001 -15.841 16.636 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.074 -17.009 17.445 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.751 -15.527 16.729 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.986 -15.552 14.278 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.738 -15.245 14.204 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.014 -16.520 13.195 1.00 0.00 H new ATOM 1419 N TYR A 90 12.390 -18.249 17.425 1.00 0.00 N ATOM 1420 CA TYR A 90 13.091 -19.054 18.428 1.00 0.00 C ATOM 1421 C TYR A 90 12.521 -18.834 19.841 1.00 0.00 C ATOM 1422 O TYR A 90 13.141 -19.236 20.830 1.00 0.00 O ATOM 1423 CB TYR A 90 14.595 -18.726 18.356 1.00 0.00 C ATOM 1424 CG TYR A 90 15.227 -18.951 16.990 1.00 0.00 C ATOM 1425 CD1 TYR A 90 15.748 -20.216 16.656 1.00 0.00 C ATOM 1426 CD2 TYR A 90 15.287 -17.902 16.050 1.00 0.00 C ATOM 1427 CE1 TYR A 90 16.315 -20.438 15.387 1.00 0.00 C ATOM 1428 CE2 TYR A 90 15.847 -18.117 14.777 1.00 0.00 C ATOM 1429 CZ TYR A 90 16.366 -19.388 14.441 1.00 0.00 C ATOM 1430 OH TYR A 90 16.918 -19.614 13.214 1.00 0.00 O ATOM 0 H TYR A 90 12.306 -17.266 17.684 1.00 0.00 H new ATOM 0 HA TYR A 90 12.942 -20.112 18.210 1.00 0.00 H new ATOM 0 HB2 TYR A 90 14.741 -17.684 18.642 1.00 0.00 H new ATOM 0 HB3 TYR A 90 15.122 -19.335 19.091 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.712 -21.019 17.377 1.00 0.00 H new ATOM 0 HD2 TYR A 90 14.901 -16.927 16.309 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.711 -21.411 15.136 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.880 -17.312 14.058 1.00 0.00 H new ATOM 0 HH TYR A 90 16.876 -18.793 12.680 1.00 0.00 H new ATOM 1440 N SER A 91 11.344 -18.211 19.944 1.00 0.00 N ATOM 1441 CA SER A 91 10.659 -17.862 21.181 1.00 0.00 C ATOM 1442 C SER A 91 9.164 -18.043 20.934 1.00 0.00 C ATOM 1443 O SER A 91 8.445 -18.447 21.871 1.00 0.00 O ATOM 1444 CB SER A 91 10.960 -16.407 21.566 1.00 0.00 C ATOM 1445 OG SER A 91 12.360 -16.169 21.676 1.00 0.00 O ATOM 1446 OXT SER A 91 8.725 -17.791 19.790 1.00 0.00 O ATOM 0 H SER A 91 10.819 -17.923 19.118 1.00 0.00 H new ATOM 0 HA SER A 91 10.996 -18.497 22.000 1.00 0.00 H new ATOM 0 HB2 SER A 91 10.535 -15.738 20.818 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.476 -16.174 22.514 1.00 0.00 H new ATOM 0 HG SER A 91 12.514 -15.233 21.921 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.641 -28.539 14.786 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.252 -29.870 14.299 1.00 0.00 O HETATM 1455 O2 PO4 A 92 13.174 -27.494 13.860 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.079 -28.306 16.126 1.00 0.00 O HETATM 1457 O4 PO4 A 92 15.108 -28.456 14.883 1.00 0.00 O