USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 837 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 47 THR OG1 : rot -6:sc= 0.575 USER MOD Set 1.2: A 50 THR OG1 : rot -140:sc= 1.37 USER MOD Set 2.1: A 38 GLN : amide:sc= -1.18 X(o=-1.4,f=-1.1) USER MOD Set 2.2: A 45 ASN : amide:sc= -0.205 X(o=-1.4,f=-0.95) USER MOD Single : A 1 GLY N :NH3+ -148:sc= 0.619 (180deg=-0.0951) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= -0.0181 (180deg=-0.169) USER MOD Single : A 12 HIS : no HE2:sc= -0.0915 K(o=-0.091,f=-0.73) USER MOD Single : A 13 THR OG1 : rot 38:sc= 0.0187 USER MOD Single : A 18 ASN : amide:sc= -0.0057 K(o=-0.0057,f=-2.3) USER MOD Single : A 26 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.15) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0125 (180deg=-0.173) USER MOD Single : A 32 GLN : amide:sc= -0.374 K(o=-0.37,f=-2!) USER MOD Single : A 39 GLN : amide:sc= 0.00862 X(o=0.0086,f=-0.067) USER MOD Single : A 42 SER OG : rot -12:sc= 0.328 USER MOD Single : A 43 THR OG1 : rot 110:sc= -1.52 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 55 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.083) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 68:sc= 0.697 USER MOD Single : A 66 THR OG1 : rot -80:sc= 0.217 USER MOD Single : A 68 GLN : amide:sc= 0.0892 K(o=0.089,f=-1.3) USER MOD Single : A 70 HIS : no HD1:sc= 0.841 K(o=0.84,f=-2.7!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0318 X(o=-0.032,f=-0.34) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 84 HIS : no HD1:sc= -0.241 K(o=-0.24,f=-2) USER MOD Single : A 93 THR OG1 : rot -41:sc= 0.0822 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -39:sc= -0.504 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 107 HIS : no HD1:sc= -0.0475 K(o=-0.048,f=-0.55) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.516 -12.751 4.107 1.00 51.43 N ATOM 2 CA GLY A 1 -37.486 -12.516 3.009 1.00 34.54 C ATOM 3 C GLY A 1 -37.083 -11.354 2.108 1.00 45.41 C ATOM 4 O GLY A 1 -35.970 -10.832 2.238 1.00 55.13 O ATOM 0 H1 GLY A 1 -36.489 -13.765 4.335 1.00 51.43 H new ATOM 0 H2 GLY A 1 -35.570 -12.438 3.808 1.00 51.43 H new ATOM 0 H3 GLY A 1 -36.808 -12.214 4.949 1.00 51.43 H new ATOM 0 HA2 GLY A 1 -37.576 -13.422 2.409 1.00 34.54 H new ATOM 0 HA3 GLY A 1 -38.469 -12.317 3.435 1.00 34.54 H new ATOM 10 N THR A 2 -38.002 -10.971 1.190 1.00 51.10 N ATOM 11 CA THR A 2 -37.817 -9.854 0.234 1.00 34.24 C ATOM 12 C THR A 2 -36.543 -10.084 -0.632 1.00 63.44 C ATOM 13 O THR A 2 -35.770 -9.164 -0.883 1.00 13.35 O ATOM 14 CB THR A 2 -37.815 -8.454 0.982 1.00 3.11 C ATOM 15 OG1 THR A 2 -38.888 -8.435 1.952 1.00 3.10 O ATOM 16 CG2 THR A 2 -38.022 -7.261 0.012 1.00 74.43 C ATOM 0 H THR A 2 -38.905 -11.436 1.092 1.00 51.10 H new ATOM 0 HA THR A 2 -38.665 -9.830 -0.450 1.00 34.24 H new ATOM 0 HB THR A 2 -36.840 -8.343 1.456 1.00 3.11 H new ATOM 0 HG1 THR A 2 -38.892 -7.573 2.419 1.00 3.10 H new ATOM 0 HG21 THR A 2 -38.012 -6.328 0.575 1.00 74.43 H new ATOM 0 HG22 THR A 2 -37.219 -7.248 -0.725 1.00 74.43 H new ATOM 0 HG23 THR A 2 -38.980 -7.368 -0.497 1.00 74.43 H new ATOM 24 N ILE A 3 -36.370 -11.360 -1.092 1.00 2.02 N ATOM 25 CA ILE A 3 -35.180 -11.842 -1.840 1.00 74.22 C ATOM 26 C ILE A 3 -33.891 -11.511 -1.047 1.00 1.21 C ATOM 27 O ILE A 3 -33.335 -10.413 -1.146 1.00 61.11 O ATOM 28 CB ILE A 3 -35.111 -11.327 -3.352 1.00 25.44 C ATOM 29 CG1 ILE A 3 -36.253 -11.947 -4.252 1.00 3.31 C ATOM 30 CG2 ILE A 3 -33.721 -11.639 -3.984 1.00 11.33 C ATOM 31 CD1 ILE A 3 -37.683 -11.581 -3.879 1.00 11.35 C ATOM 0 H ILE A 3 -37.068 -12.089 -0.948 1.00 2.02 H new ATOM 0 HA ILE A 3 -35.274 -12.924 -1.928 1.00 74.22 H new ATOM 0 HB ILE A 3 -35.260 -10.248 -3.318 1.00 25.44 H new ATOM 0 HG12 ILE A 3 -36.080 -11.640 -5.283 1.00 3.31 H new ATOM 0 HG13 ILE A 3 -36.160 -13.033 -4.223 1.00 3.31 H new ATOM 0 HG21 ILE A 3 -33.700 -11.279 -5.013 1.00 11.33 H new ATOM 0 HG22 ILE A 3 -32.940 -11.141 -3.409 1.00 11.33 H new ATOM 0 HG23 ILE A 3 -33.550 -12.715 -3.973 1.00 11.33 H new ATOM 0 HD11 ILE A 3 -38.374 -12.066 -4.568 1.00 11.35 H new ATOM 0 HD12 ILE A 3 -37.890 -11.914 -2.862 1.00 11.35 H new ATOM 0 HD13 ILE A 3 -37.809 -10.500 -3.939 1.00 11.35 H new ATOM 43 N ASP A 4 -33.481 -12.459 -0.200 1.00 2.21 N ATOM 44 CA ASP A 4 -32.281 -12.333 0.631 1.00 74.04 C ATOM 45 C ASP A 4 -31.035 -12.394 -0.262 1.00 52.54 C ATOM 46 O ASP A 4 -30.730 -13.438 -0.841 1.00 63.51 O ATOM 47 CB ASP A 4 -32.259 -13.440 1.714 1.00 30.24 C ATOM 48 CG ASP A 4 -33.528 -13.432 2.585 1.00 41.53 C ATOM 49 OD1 ASP A 4 -34.451 -14.245 2.332 1.00 2.14 O ATOM 50 OD2 ASP A 4 -33.620 -12.598 3.509 1.00 2.12 O1- ATOM 0 H ASP A 4 -33.976 -13.341 -0.071 1.00 2.21 H new ATOM 0 HA ASP A 4 -32.289 -11.372 1.145 1.00 74.04 H new ATOM 0 HB2 ASP A 4 -32.157 -14.413 1.233 1.00 30.24 H new ATOM 0 HB3 ASP A 4 -31.384 -13.305 2.350 1.00 30.24 H new ATOM 55 N TYR A 5 -30.347 -11.252 -0.385 1.00 4.55 N ATOM 56 CA TYR A 5 -29.141 -11.104 -1.219 1.00 5.31 C ATOM 57 C TYR A 5 -27.890 -11.687 -0.527 1.00 15.04 C ATOM 58 O TYR A 5 -26.823 -11.717 -1.131 1.00 45.12 O ATOM 59 CB TYR A 5 -28.930 -9.610 -1.592 1.00 62.24 C ATOM 60 CG TYR A 5 -30.086 -9.006 -2.412 1.00 23.34 C ATOM 61 CD1 TYR A 5 -31.103 -8.258 -1.805 1.00 71.43 C ATOM 62 CD2 TYR A 5 -30.174 -9.212 -3.790 1.00 11.12 C ATOM 63 CE1 TYR A 5 -32.158 -7.745 -2.542 1.00 53.32 C ATOM 64 CE2 TYR A 5 -31.224 -8.692 -4.528 1.00 41.10 C ATOM 65 CZ TYR A 5 -32.213 -7.966 -3.901 1.00 65.24 C ATOM 66 OH TYR A 5 -33.270 -7.466 -4.642 1.00 31.13 O ATOM 0 H TYR A 5 -30.613 -10.393 0.096 1.00 4.55 H new ATOM 0 HA TYR A 5 -29.292 -11.676 -2.135 1.00 5.31 H new ATOM 0 HB2 TYR A 5 -28.804 -9.031 -0.677 1.00 62.24 H new ATOM 0 HB3 TYR A 5 -28.005 -9.514 -2.160 1.00 62.24 H new ATOM 0 HD1 TYR A 5 -31.064 -8.078 -0.741 1.00 71.43 H new ATOM 0 HD2 TYR A 5 -29.409 -9.788 -4.290 1.00 11.12 H new ATOM 0 HE1 TYR A 5 -32.934 -7.174 -2.053 1.00 53.32 H new ATOM 0 HE2 TYR A 5 -31.268 -8.855 -5.595 1.00 41.10 H new ATOM 0 HH TYR A 5 -33.154 -7.711 -5.584 1.00 31.13 H new ATOM 76 N GLN A 6 -28.049 -12.142 0.734 1.00 65.12 N ATOM 77 CA GLN A 6 -26.971 -12.723 1.569 1.00 24.12 C ATOM 78 C GLN A 6 -26.198 -13.862 0.847 1.00 21.13 C ATOM 79 O GLN A 6 -24.972 -13.949 0.953 1.00 63.22 O ATOM 80 CB GLN A 6 -27.569 -13.263 2.899 1.00 20.04 C ATOM 81 CG GLN A 6 -28.271 -12.206 3.783 1.00 50.32 C ATOM 82 CD GLN A 6 -28.861 -12.781 5.082 1.00 61.04 C ATOM 83 OE1 GLN A 6 -29.284 -13.937 5.131 1.00 22.01 O ATOM 84 NE2 GLN A 6 -28.885 -11.984 6.141 1.00 73.44 N ATOM 0 H GLN A 6 -28.950 -12.116 1.212 1.00 65.12 H new ATOM 0 HA GLN A 6 -26.257 -11.924 1.769 1.00 24.12 H new ATOM 0 HB2 GLN A 6 -28.286 -14.050 2.663 1.00 20.04 H new ATOM 0 HB3 GLN A 6 -26.769 -13.724 3.478 1.00 20.04 H new ATOM 0 HG2 GLN A 6 -27.556 -11.423 4.034 1.00 50.32 H new ATOM 0 HG3 GLN A 6 -29.069 -11.736 3.208 1.00 50.32 H new ATOM 0 HE21 GLN A 6 -28.528 -11.031 6.070 1.00 73.44 H new ATOM 0 HE22 GLN A 6 -29.261 -12.324 7.026 1.00 73.44 H new ATOM 93 N ALA A 7 -26.933 -14.727 0.120 1.00 21.30 N ATOM 94 CA ALA A 7 -26.341 -15.845 -0.647 1.00 62.55 C ATOM 95 C ALA A 7 -25.825 -15.370 -2.016 1.00 53.33 C ATOM 96 O ALA A 7 -24.890 -15.945 -2.564 1.00 63.03 O ATOM 97 CB ALA A 7 -27.379 -16.973 -0.825 1.00 33.14 C ATOM 0 H ALA A 7 -27.949 -14.672 0.047 1.00 21.30 H new ATOM 0 HA ALA A 7 -25.490 -16.230 -0.085 1.00 62.55 H new ATOM 0 HB1 ALA A 7 -26.934 -17.791 -1.391 1.00 33.14 H new ATOM 0 HB2 ALA A 7 -27.692 -17.337 0.154 1.00 33.14 H new ATOM 0 HB3 ALA A 7 -28.245 -16.589 -1.364 1.00 33.14 H new ATOM 103 N LEU A 8 -26.411 -14.278 -2.529 1.00 34.02 N ATOM 104 CA LEU A 8 -26.220 -13.814 -3.925 1.00 65.30 C ATOM 105 C LEU A 8 -24.876 -13.063 -4.153 1.00 23.11 C ATOM 106 O LEU A 8 -24.729 -12.391 -5.175 1.00 53.31 O ATOM 107 CB LEU A 8 -27.436 -12.922 -4.365 1.00 72.24 C ATOM 108 CG LEU A 8 -28.779 -13.659 -4.735 1.00 11.23 C ATOM 109 CD1 LEU A 8 -29.367 -14.464 -3.558 1.00 22.14 C ATOM 110 CD2 LEU A 8 -29.817 -12.660 -5.302 1.00 22.12 C ATOM 0 H LEU A 8 -27.037 -13.682 -1.988 1.00 34.02 H new ATOM 0 HA LEU A 8 -26.172 -14.707 -4.548 1.00 65.30 H new ATOM 0 HB2 LEU A 8 -27.648 -12.220 -3.559 1.00 72.24 H new ATOM 0 HB3 LEU A 8 -27.126 -12.332 -5.228 1.00 72.24 H new ATOM 0 HG LEU A 8 -28.534 -14.385 -5.511 1.00 11.23 H new ATOM 0 HD11 LEU A 8 -30.291 -14.949 -3.874 1.00 22.14 H new ATOM 0 HD12 LEU A 8 -28.650 -15.221 -3.241 1.00 22.14 H new ATOM 0 HD13 LEU A 8 -29.576 -13.792 -2.726 1.00 22.14 H new ATOM 0 HD21 LEU A 8 -30.736 -13.192 -5.550 1.00 22.12 H new ATOM 0 HD22 LEU A 8 -30.031 -11.895 -4.556 1.00 22.12 H new ATOM 0 HD23 LEU A 8 -29.416 -12.189 -6.200 1.00 22.12 H new ATOM 122 N LYS A 9 -23.891 -13.201 -3.239 1.00 40.52 N ATOM 123 CA LYS A 9 -22.551 -12.570 -3.389 1.00 2.42 C ATOM 124 C LYS A 9 -21.687 -13.350 -4.415 1.00 50.43 C ATOM 125 O LYS A 9 -20.817 -14.156 -4.052 1.00 54.13 O ATOM 126 CB LYS A 9 -21.816 -12.434 -2.011 1.00 70.43 C ATOM 127 CG LYS A 9 -22.263 -11.235 -1.136 1.00 43.34 C ATOM 128 CD LYS A 9 -23.695 -11.383 -0.588 1.00 71.24 C ATOM 129 CE LYS A 9 -24.192 -10.123 0.139 1.00 32.32 C ATOM 130 NZ LYS A 9 -24.300 -8.961 -0.782 1.00 54.30 N1+ ATOM 0 H LYS A 9 -23.995 -13.746 -2.383 1.00 40.52 H new ATOM 0 HA LYS A 9 -22.702 -11.561 -3.772 1.00 2.42 H new ATOM 0 HB2 LYS A 9 -21.969 -13.353 -1.444 1.00 70.43 H new ATOM 0 HB3 LYS A 9 -20.745 -12.348 -2.196 1.00 70.43 H new ATOM 0 HG2 LYS A 9 -21.571 -11.125 -0.301 1.00 43.34 H new ATOM 0 HG3 LYS A 9 -22.199 -10.320 -1.725 1.00 43.34 H new ATOM 0 HD2 LYS A 9 -24.372 -11.612 -1.411 1.00 71.24 H new ATOM 0 HD3 LYS A 9 -23.730 -12.229 0.098 1.00 71.24 H new ATOM 0 HE2 LYS A 9 -25.165 -10.322 0.588 1.00 32.32 H new ATOM 0 HE3 LYS A 9 -23.509 -9.880 0.953 1.00 32.32 H new ATOM 0 HZ1 LYS A 9 -24.838 -8.201 -0.320 1.00 54.30 H new ATOM 0 HZ2 LYS A 9 -23.348 -8.616 -1.019 1.00 54.30 H new ATOM 0 HZ3 LYS A 9 -24.789 -9.252 -1.652 1.00 54.30 H new ATOM 144 N ARG A 10 -21.982 -13.122 -5.707 1.00 13.13 N ATOM 145 CA ARG A 10 -21.252 -13.694 -6.850 1.00 21.41 C ATOM 146 C ARG A 10 -21.012 -12.575 -7.875 1.00 14.23 C ATOM 147 O ARG A 10 -21.874 -12.294 -8.714 1.00 22.01 O ATOM 148 CB ARG A 10 -22.040 -14.883 -7.496 1.00 1.43 C ATOM 149 CG ARG A 10 -22.051 -16.189 -6.668 1.00 22.01 C ATOM 150 CD ARG A 10 -20.652 -16.804 -6.524 1.00 50.22 C ATOM 151 NE ARG A 10 -20.662 -18.050 -5.735 1.00 33.02 N ATOM 152 CZ ARG A 10 -19.801 -19.073 -5.904 1.00 4.32 C ATOM 153 NH1 ARG A 10 -18.849 -19.021 -6.835 1.00 43.13 N1+ ATOM 154 NH2 ARG A 10 -19.885 -20.140 -5.121 1.00 41.04 N ATOM 0 H ARG A 10 -22.754 -12.519 -5.991 1.00 13.13 H new ATOM 0 HA ARG A 10 -20.299 -14.098 -6.507 1.00 21.41 H new ATOM 0 HB2 ARG A 10 -23.070 -14.568 -7.663 1.00 1.43 H new ATOM 0 HB3 ARG A 10 -21.609 -15.095 -8.475 1.00 1.43 H new ATOM 0 HG2 ARG A 10 -22.458 -15.985 -5.678 1.00 22.01 H new ATOM 0 HG3 ARG A 10 -22.715 -16.911 -7.143 1.00 22.01 H new ATOM 0 HD2 ARG A 10 -20.244 -17.008 -7.514 1.00 50.22 H new ATOM 0 HD3 ARG A 10 -19.988 -16.082 -6.049 1.00 50.22 H new ATOM 0 HE ARG A 10 -21.372 -18.144 -5.009 1.00 33.02 H new ATOM 0 HH11 ARG A 10 -18.764 -18.199 -7.432 1.00 43.13 H new ATOM 0 HH12 ARG A 10 -18.205 -19.804 -6.950 1.00 43.13 H new ATOM 0 HH21 ARG A 10 -20.599 -20.184 -4.394 1.00 41.04 H new ATOM 0 HH22 ARG A 10 -19.235 -20.916 -5.246 1.00 41.04 H new ATOM 168 N ARG A 11 -19.866 -11.894 -7.753 1.00 54.22 N ATOM 169 CA ARG A 11 -19.460 -10.842 -8.695 1.00 55.52 C ATOM 170 C ARG A 11 -18.809 -11.494 -9.927 1.00 15.23 C ATOM 171 O ARG A 11 -19.364 -11.423 -11.027 1.00 75.23 O ATOM 172 CB ARG A 11 -18.489 -9.853 -8.002 1.00 3.44 C ATOM 173 CG ARG A 11 -19.101 -9.100 -6.802 1.00 32.42 C ATOM 174 CD ARG A 11 -18.080 -8.190 -6.101 1.00 23.42 C ATOM 175 NE ARG A 11 -16.973 -8.966 -5.495 1.00 71.12 N ATOM 176 CZ ARG A 11 -15.660 -8.678 -5.608 1.00 31.10 C ATOM 177 NH1 ARG A 11 -15.238 -7.640 -6.326 1.00 13.54 N1+ ATOM 178 NH2 ARG A 11 -14.769 -9.446 -4.998 1.00 64.12 N ATOM 0 H ARG A 11 -19.196 -12.055 -7.001 1.00 54.22 H new ATOM 0 HA ARG A 11 -20.333 -10.276 -9.020 1.00 55.52 H new ATOM 0 HB2 ARG A 11 -17.611 -10.402 -7.662 1.00 3.44 H new ATOM 0 HB3 ARG A 11 -18.145 -9.125 -8.736 1.00 3.44 H new ATOM 0 HG2 ARG A 11 -19.944 -8.500 -7.144 1.00 32.42 H new ATOM 0 HG3 ARG A 11 -19.493 -9.821 -6.085 1.00 32.42 H new ATOM 0 HD2 ARG A 11 -17.674 -7.479 -6.820 1.00 23.42 H new ATOM 0 HD3 ARG A 11 -18.582 -7.609 -5.327 1.00 23.42 H new ATOM 0 HE ARG A 11 -17.225 -9.788 -4.946 1.00 71.12 H new ATOM 0 HH11 ARG A 11 -15.912 -7.043 -6.805 1.00 13.54 H new ATOM 0 HH12 ARG A 11 -14.240 -7.441 -6.397 1.00 13.54 H new ATOM 0 HH21 ARG A 11 -15.078 -10.248 -4.448 1.00 64.12 H new ATOM 0 HH22 ARG A 11 -13.774 -9.235 -5.078 1.00 64.12 H new ATOM 192 N HIS A 12 -17.645 -12.149 -9.707 1.00 0.11 N ATOM 193 CA HIS A 12 -16.932 -12.955 -10.717 1.00 45.45 C ATOM 194 C HIS A 12 -16.611 -12.147 -12.005 1.00 71.10 C ATOM 195 O HIS A 12 -17.378 -12.169 -12.975 1.00 50.40 O ATOM 196 CB HIS A 12 -17.729 -14.263 -11.029 1.00 53.54 C ATOM 197 CG HIS A 12 -17.133 -15.156 -12.090 1.00 63.30 C ATOM 198 ND1 HIS A 12 -17.394 -14.987 -13.433 1.00 55.01 N ATOM 199 CD2 HIS A 12 -16.262 -16.195 -12.014 1.00 40.21 C ATOM 200 CE1 HIS A 12 -16.735 -15.881 -14.128 1.00 70.31 C ATOM 201 NE2 HIS A 12 -16.033 -16.623 -13.298 1.00 70.02 N ATOM 0 H HIS A 12 -17.169 -12.130 -8.805 1.00 0.11 H new ATOM 0 HA HIS A 12 -15.967 -13.236 -10.295 1.00 45.45 H new ATOM 0 HB2 HIS A 12 -17.823 -14.838 -10.108 1.00 53.54 H new ATOM 0 HB3 HIS A 12 -18.738 -13.987 -11.337 1.00 53.54 H new ATOM 0 HD1 HIS A 12 -18.008 -14.273 -13.826 1.00 55.01 H new ATOM 0 HD2 HIS A 12 -15.831 -16.607 -11.113 1.00 40.21 H new ATOM 0 HE1 HIS A 12 -16.763 -15.991 -15.202 1.00 70.31 H new ATOM 210 N THR A 13 -15.498 -11.401 -11.980 1.00 14.24 N ATOM 211 CA THR A 13 -14.972 -10.697 -13.162 1.00 43.30 C ATOM 212 C THR A 13 -13.916 -11.591 -13.864 1.00 13.51 C ATOM 213 O THR A 13 -12.858 -11.864 -13.274 1.00 53.01 O ATOM 214 CB THR A 13 -14.373 -9.296 -12.778 1.00 32.21 C ATOM 215 OG1 THR A 13 -13.535 -9.407 -11.605 1.00 41.24 O ATOM 216 CG2 THR A 13 -15.490 -8.261 -12.532 1.00 42.54 C ATOM 0 H THR A 13 -14.935 -11.267 -11.140 1.00 14.24 H new ATOM 0 HA THR A 13 -15.793 -10.508 -13.854 1.00 43.30 H new ATOM 0 HB THR A 13 -13.766 -8.953 -13.616 1.00 32.21 H new ATOM 0 HG1 THR A 13 -13.029 -10.246 -11.642 1.00 41.24 H new ATOM 0 HG21 THR A 13 -15.045 -7.301 -12.268 1.00 42.54 H new ATOM 0 HG22 THR A 13 -16.087 -8.148 -13.437 1.00 42.54 H new ATOM 0 HG23 THR A 13 -16.128 -8.601 -11.717 1.00 42.54 H new ATOM 224 N PRO A 14 -14.213 -12.104 -15.113 1.00 62.13 N ATOM 225 CA PRO A 14 -13.324 -13.044 -15.861 1.00 33.22 C ATOM 226 C PRO A 14 -11.871 -12.539 -16.009 1.00 23.03 C ATOM 227 O PRO A 14 -10.915 -13.309 -15.870 1.00 63.22 O ATOM 228 CB PRO A 14 -14.019 -13.154 -17.243 1.00 42.54 C ATOM 229 CG PRO A 14 -15.465 -12.879 -16.957 1.00 51.02 C ATOM 230 CD PRO A 14 -15.455 -11.812 -15.892 1.00 35.44 C ATOM 0 HA PRO A 14 -13.214 -13.994 -15.339 1.00 33.22 H new ATOM 0 HB2 PRO A 14 -13.610 -12.434 -17.952 1.00 42.54 H new ATOM 0 HB3 PRO A 14 -13.882 -14.143 -17.679 1.00 42.54 H new ATOM 0 HG2 PRO A 14 -15.987 -12.539 -17.852 1.00 51.02 H new ATOM 0 HG3 PRO A 14 -15.977 -13.777 -16.611 1.00 51.02 H new ATOM 0 HD2 PRO A 14 -15.430 -10.813 -16.326 1.00 35.44 H new ATOM 0 HD3 PRO A 14 -16.344 -11.865 -15.264 1.00 35.44 H new ATOM 238 N GLU A 15 -11.736 -11.236 -16.279 1.00 64.33 N ATOM 239 CA GLU A 15 -10.436 -10.577 -16.490 1.00 63.20 C ATOM 240 C GLU A 15 -10.549 -9.097 -16.077 1.00 15.13 C ATOM 241 O GLU A 15 -11.670 -8.587 -15.902 1.00 10.33 O ATOM 242 CB GLU A 15 -10.018 -10.738 -17.988 1.00 2.42 C ATOM 243 CG GLU A 15 -8.620 -10.195 -18.355 1.00 65.32 C ATOM 244 CD GLU A 15 -8.219 -10.500 -19.810 1.00 11.30 C ATOM 245 OE1 GLU A 15 -8.586 -9.725 -20.721 1.00 3.41 O ATOM 246 OE2 GLU A 15 -7.546 -11.526 -20.054 1.00 0.14 O1- ATOM 0 H GLU A 15 -12.531 -10.601 -16.359 1.00 64.33 H new ATOM 0 HA GLU A 15 -9.662 -11.038 -15.876 1.00 63.20 H new ATOM 0 HB2 GLU A 15 -10.055 -11.797 -18.245 1.00 2.42 H new ATOM 0 HB3 GLU A 15 -10.758 -10.233 -18.609 1.00 2.42 H new ATOM 0 HG2 GLU A 15 -8.602 -9.117 -18.198 1.00 65.32 H new ATOM 0 HG3 GLU A 15 -7.880 -10.628 -17.682 1.00 65.32 H new ATOM 253 N ALA A 16 -9.396 -8.424 -15.861 1.00 22.30 N ATOM 254 CA ALA A 16 -9.345 -6.965 -15.688 1.00 42.55 C ATOM 255 C ALA A 16 -9.740 -6.297 -17.022 1.00 52.31 C ATOM 256 O ALA A 16 -8.902 -6.045 -17.899 1.00 13.01 O ATOM 257 CB ALA A 16 -7.959 -6.513 -15.186 1.00 51.43 C ATOM 0 H ALA A 16 -8.484 -8.878 -15.803 1.00 22.30 H new ATOM 0 HA ALA A 16 -10.055 -6.654 -14.922 1.00 42.55 H new ATOM 0 HB1 ALA A 16 -7.951 -5.430 -15.067 1.00 51.43 H new ATOM 0 HB2 ALA A 16 -7.748 -6.985 -14.226 1.00 51.43 H new ATOM 0 HB3 ALA A 16 -7.197 -6.805 -15.909 1.00 51.43 H new ATOM 263 N GLU A 17 -11.054 -6.143 -17.180 1.00 41.15 N ATOM 264 CA GLU A 17 -11.708 -5.558 -18.368 1.00 5.51 C ATOM 265 C GLU A 17 -12.074 -4.078 -18.131 1.00 0.03 C ATOM 266 O GLU A 17 -12.468 -3.369 -19.065 1.00 14.14 O ATOM 267 CB GLU A 17 -12.969 -6.397 -18.690 1.00 23.03 C ATOM 268 CG GLU A 17 -14.000 -6.446 -17.541 1.00 12.31 C ATOM 269 CD GLU A 17 -15.111 -7.481 -17.759 1.00 71.32 C ATOM 270 OE1 GLU A 17 -16.214 -7.106 -18.225 1.00 74.35 O ATOM 271 OE2 GLU A 17 -14.886 -8.677 -17.467 1.00 75.54 O1- ATOM 0 H GLU A 17 -11.722 -6.429 -16.465 1.00 41.15 H new ATOM 0 HA GLU A 17 -11.021 -5.582 -19.214 1.00 5.51 H new ATOM 0 HB2 GLU A 17 -13.449 -5.986 -19.578 1.00 23.03 H new ATOM 0 HB3 GLU A 17 -12.664 -7.414 -18.934 1.00 23.03 H new ATOM 0 HG2 GLU A 17 -13.482 -6.671 -16.609 1.00 12.31 H new ATOM 0 HG3 GLU A 17 -14.450 -5.460 -17.425 1.00 12.31 H new ATOM 278 N ASN A 18 -11.937 -3.642 -16.872 1.00 41.43 N ATOM 279 CA ASN A 18 -12.183 -2.263 -16.433 1.00 21.42 C ATOM 280 C ASN A 18 -11.492 -2.089 -15.053 1.00 21.22 C ATOM 281 O ASN A 18 -11.788 -2.871 -14.141 1.00 12.53 O ATOM 282 CB ASN A 18 -13.721 -1.988 -16.333 1.00 14.31 C ATOM 283 CG ASN A 18 -14.101 -0.504 -16.168 1.00 44.14 C ATOM 284 OD1 ASN A 18 -13.366 0.292 -15.590 1.00 62.35 O ATOM 285 ND2 ASN A 18 -15.275 -0.125 -16.660 1.00 75.23 N ATOM 0 H ASN A 18 -11.644 -4.255 -16.111 1.00 41.43 H new ATOM 0 HA ASN A 18 -11.777 -1.548 -17.149 1.00 21.42 H new ATOM 0 HB2 ASN A 18 -14.204 -2.375 -17.230 1.00 14.31 H new ATOM 0 HB3 ASN A 18 -14.122 -2.548 -15.488 1.00 14.31 H new ATOM 0 HD21 ASN A 18 -15.581 0.843 -16.561 1.00 75.23 H new ATOM 0 HD22 ASN A 18 -15.871 -0.802 -17.137 1.00 75.23 H new ATOM 292 N PRO A 19 -10.535 -1.108 -14.892 1.00 2.55 N ATOM 293 CA PRO A 19 -9.793 -0.872 -13.610 1.00 60.43 C ATOM 294 C PRO A 19 -10.725 -0.626 -12.386 1.00 3.11 C ATOM 295 O PRO A 19 -11.104 0.516 -12.088 1.00 4.23 O ATOM 296 CB PRO A 19 -8.892 0.364 -13.934 1.00 50.32 C ATOM 297 CG PRO A 19 -9.507 0.982 -15.159 1.00 52.41 C ATOM 298 CD PRO A 19 -10.076 -0.167 -15.950 1.00 3.54 C ATOM 0 HA PRO A 19 -9.221 -1.748 -13.304 1.00 60.43 H new ATOM 0 HB2 PRO A 19 -8.875 1.069 -13.103 1.00 50.32 H new ATOM 0 HB3 PRO A 19 -7.861 0.063 -14.119 1.00 50.32 H new ATOM 0 HG2 PRO A 19 -10.285 1.696 -14.889 1.00 52.41 H new ATOM 0 HG3 PRO A 19 -8.762 1.527 -15.739 1.00 52.41 H new ATOM 0 HD2 PRO A 19 -10.898 0.152 -16.590 1.00 3.54 H new ATOM 0 HD3 PRO A 19 -9.326 -0.622 -16.597 1.00 3.54 H new ATOM 306 N ALA A 20 -11.115 -1.733 -11.725 1.00 23.44 N ATOM 307 CA ALA A 20 -11.994 -1.739 -10.533 1.00 32.24 C ATOM 308 C ALA A 20 -11.911 -3.126 -9.857 1.00 24.54 C ATOM 309 O ALA A 20 -11.352 -3.273 -8.760 1.00 31.11 O ATOM 310 CB ALA A 20 -13.458 -1.391 -10.916 1.00 30.20 C ATOM 0 H ALA A 20 -10.823 -2.669 -12.008 1.00 23.44 H new ATOM 0 HA ALA A 20 -11.657 -0.975 -9.832 1.00 32.24 H new ATOM 0 HB1 ALA A 20 -14.081 -1.403 -10.021 1.00 30.20 H new ATOM 0 HB2 ALA A 20 -13.490 -0.399 -11.367 1.00 30.20 H new ATOM 0 HB3 ALA A 20 -13.832 -2.126 -11.628 1.00 30.20 H new ATOM 316 N GLU A 21 -12.445 -4.150 -10.552 1.00 71.04 N ATOM 317 CA GLU A 21 -12.440 -5.562 -10.099 1.00 42.43 C ATOM 318 C GLU A 21 -11.477 -6.382 -10.983 1.00 33.21 C ATOM 319 O GLU A 21 -11.174 -5.971 -12.099 1.00 34.25 O ATOM 320 CB GLU A 21 -13.858 -6.160 -10.163 1.00 70.10 C ATOM 321 CG GLU A 21 -14.876 -5.529 -9.199 1.00 53.42 C ATOM 322 CD GLU A 21 -16.276 -6.152 -9.309 1.00 53.03 C ATOM 323 OE1 GLU A 21 -16.426 -7.336 -8.953 1.00 0.41 O ATOM 324 OE2 GLU A 21 -17.226 -5.463 -9.745 1.00 65.45 O1- ATOM 0 H GLU A 21 -12.899 -4.021 -11.456 1.00 71.04 H new ATOM 0 HA GLU A 21 -12.102 -5.599 -9.063 1.00 42.43 H new ATOM 0 HB2 GLU A 21 -14.233 -6.057 -11.181 1.00 70.10 H new ATOM 0 HB3 GLU A 21 -13.795 -7.228 -9.953 1.00 70.10 H new ATOM 0 HG2 GLU A 21 -14.515 -5.639 -8.176 1.00 53.42 H new ATOM 0 HG3 GLU A 21 -14.944 -4.460 -9.400 1.00 53.42 H new ATOM 331 N ALA A 22 -11.023 -7.552 -10.466 1.00 40.12 N ATOM 332 CA ALA A 22 -9.904 -8.347 -11.059 1.00 60.20 C ATOM 333 C ALA A 22 -8.598 -7.524 -11.061 1.00 71.35 C ATOM 334 O ALA A 22 -7.638 -7.828 -11.777 1.00 20.20 O ATOM 335 CB ALA A 22 -10.255 -8.891 -12.459 1.00 41.34 C ATOM 0 H ALA A 22 -11.419 -7.975 -9.627 1.00 40.12 H new ATOM 0 HA ALA A 22 -9.744 -9.222 -10.429 1.00 60.20 H new ATOM 0 HB1 ALA A 22 -9.412 -9.462 -12.849 1.00 41.34 H new ATOM 0 HB2 ALA A 22 -11.130 -9.537 -12.389 1.00 41.34 H new ATOM 0 HB3 ALA A 22 -10.471 -8.059 -13.129 1.00 41.34 H new ATOM 341 N ASP A 23 -8.577 -6.515 -10.180 1.00 72.01 N ATOM 342 CA ASP A 23 -7.457 -5.595 -9.984 1.00 31.21 C ATOM 343 C ASP A 23 -6.860 -5.772 -8.578 1.00 15.11 C ATOM 344 O ASP A 23 -5.985 -5.018 -8.184 1.00 51.35 O ATOM 345 CB ASP A 23 -7.933 -4.126 -10.186 1.00 43.22 C ATOM 346 CG ASP A 23 -8.070 -3.704 -11.661 1.00 41.14 C ATOM 347 OD1 ASP A 23 -9.103 -3.998 -12.291 1.00 20.40 O ATOM 348 OD2 ASP A 23 -7.144 -3.044 -12.180 1.00 62.31 O1- ATOM 0 H ASP A 23 -9.366 -6.313 -9.566 1.00 72.01 H new ATOM 0 HA ASP A 23 -6.685 -5.820 -10.720 1.00 31.21 H new ATOM 0 HB2 ASP A 23 -8.896 -3.997 -9.692 1.00 43.22 H new ATOM 0 HB3 ASP A 23 -7.229 -3.457 -9.692 1.00 43.22 H new ATOM 353 N LEU A 24 -7.334 -6.772 -7.827 1.00 70.13 N ATOM 354 CA LEU A 24 -6.876 -7.024 -6.448 1.00 15.42 C ATOM 355 C LEU A 24 -5.364 -7.418 -6.449 1.00 54.23 C ATOM 356 O LEU A 24 -4.995 -8.382 -7.125 1.00 53.50 O ATOM 357 CB LEU A 24 -7.746 -8.145 -5.817 1.00 23.13 C ATOM 358 CG LEU A 24 -7.501 -8.462 -4.307 1.00 54.24 C ATOM 359 CD1 LEU A 24 -7.820 -7.250 -3.401 1.00 23.24 C ATOM 360 CD2 LEU A 24 -8.290 -9.721 -3.874 1.00 25.41 C ATOM 0 H LEU A 24 -8.043 -7.429 -8.152 1.00 70.13 H new ATOM 0 HA LEU A 24 -6.985 -6.119 -5.851 1.00 15.42 H new ATOM 0 HB2 LEU A 24 -8.794 -7.872 -5.941 1.00 23.13 H new ATOM 0 HB3 LEU A 24 -7.586 -9.060 -6.387 1.00 23.13 H new ATOM 0 HG LEU A 24 -6.439 -8.673 -4.184 1.00 54.24 H new ATOM 0 HD11 LEU A 24 -7.636 -7.515 -2.360 1.00 23.24 H new ATOM 0 HD12 LEU A 24 -7.184 -6.410 -3.680 1.00 23.24 H new ATOM 0 HD13 LEU A 24 -8.866 -6.969 -3.524 1.00 23.24 H new ATOM 0 HD21 LEU A 24 -8.104 -9.922 -2.819 1.00 25.41 H new ATOM 0 HD22 LEU A 24 -9.356 -9.554 -4.029 1.00 25.41 H new ATOM 0 HD23 LEU A 24 -7.967 -10.575 -4.469 1.00 25.41 H new ATOM 372 N PRO A 25 -4.466 -6.643 -5.738 1.00 3.20 N ATOM 373 CA PRO A 25 -2.996 -6.933 -5.683 1.00 15.23 C ATOM 374 C PRO A 25 -2.675 -8.369 -5.187 1.00 10.44 C ATOM 375 O PRO A 25 -3.082 -8.757 -4.085 1.00 65.24 O ATOM 376 CB PRO A 25 -2.461 -5.856 -4.693 1.00 54.21 C ATOM 377 CG PRO A 25 -3.460 -4.742 -4.768 1.00 73.12 C ATOM 378 CD PRO A 25 -4.800 -5.418 -4.951 1.00 44.30 C ATOM 0 HA PRO A 25 -2.534 -6.890 -6.669 1.00 15.23 H new ATOM 0 HB2 PRO A 25 -2.384 -6.252 -3.680 1.00 54.21 H new ATOM 0 HB3 PRO A 25 -1.466 -5.515 -4.978 1.00 54.21 H new ATOM 0 HG2 PRO A 25 -3.445 -4.139 -3.860 1.00 73.12 H new ATOM 0 HG3 PRO A 25 -3.241 -4.072 -5.600 1.00 73.12 H new ATOM 0 HD2 PRO A 25 -5.258 -5.668 -3.994 1.00 44.30 H new ATOM 0 HD3 PRO A 25 -5.503 -4.778 -5.483 1.00 44.30 H new ATOM 386 N GLN A 26 -1.946 -9.142 -6.014 1.00 23.25 N ATOM 387 CA GLN A 26 -1.625 -10.559 -5.731 1.00 65.11 C ATOM 388 C GLN A 26 -0.114 -10.710 -5.483 1.00 1.14 C ATOM 389 O GLN A 26 0.689 -10.590 -6.417 1.00 24.32 O ATOM 390 CB GLN A 26 -2.077 -11.479 -6.911 1.00 40.32 C ATOM 391 CG GLN A 26 -3.571 -11.377 -7.280 1.00 4.01 C ATOM 392 CD GLN A 26 -4.534 -11.731 -6.141 1.00 1.43 C ATOM 393 OE1 GLN A 26 -4.240 -12.564 -5.279 1.00 43.54 O ATOM 394 NE2 GLN A 26 -5.697 -11.100 -6.136 1.00 74.32 N ATOM 0 H GLN A 26 -1.562 -8.805 -6.897 1.00 23.25 H new ATOM 0 HA GLN A 26 -2.167 -10.867 -4.837 1.00 65.11 H new ATOM 0 HB2 GLN A 26 -1.483 -11.234 -7.791 1.00 40.32 H new ATOM 0 HB3 GLN A 26 -1.852 -12.514 -6.652 1.00 40.32 H new ATOM 0 HG2 GLN A 26 -3.781 -10.361 -7.613 1.00 4.01 H new ATOM 0 HG3 GLN A 26 -3.769 -12.037 -8.125 1.00 4.01 H new ATOM 0 HE21 GLN A 26 -5.910 -10.417 -6.863 1.00 74.32 H new ATOM 0 HE22 GLN A 26 -6.381 -11.297 -5.405 1.00 74.32 H new ATOM 403 N GLY A 27 0.257 -10.947 -4.216 1.00 31.41 N ATOM 404 CA GLY A 27 1.649 -11.140 -3.818 1.00 21.34 C ATOM 405 C GLY A 27 2.001 -10.320 -2.591 1.00 51.41 C ATOM 406 O GLY A 27 1.377 -9.290 -2.335 1.00 3.13 O ATOM 0 H GLY A 27 -0.404 -11.009 -3.442 1.00 31.41 H new ATOM 0 HA2 GLY A 27 1.826 -12.196 -3.613 1.00 21.34 H new ATOM 0 HA3 GLY A 27 2.305 -10.861 -4.642 1.00 21.34 H new ATOM 410 N ASP A 28 3.019 -10.780 -1.845 1.00 13.12 N ATOM 411 CA ASP A 28 3.464 -10.159 -0.577 1.00 41.31 C ATOM 412 C ASP A 28 3.950 -8.714 -0.795 1.00 24.25 C ATOM 413 O ASP A 28 3.705 -7.834 0.032 1.00 13.01 O ATOM 414 CB ASP A 28 4.605 -11.006 0.058 1.00 22.33 C ATOM 415 CG ASP A 28 4.185 -12.448 0.414 1.00 52.42 C ATOM 416 OD1 ASP A 28 3.893 -13.247 -0.509 1.00 1.20 O ATOM 417 OD2 ASP A 28 4.148 -12.791 1.616 1.00 45.23 O1- ATOM 0 H ASP A 28 3.565 -11.602 -2.104 1.00 13.12 H new ATOM 0 HA ASP A 28 2.609 -10.130 0.098 1.00 41.31 H new ATOM 0 HB2 ASP A 28 5.446 -11.043 -0.634 1.00 22.33 H new ATOM 0 HB3 ASP A 28 4.957 -10.506 0.961 1.00 22.33 H new ATOM 422 N ILE A 29 4.638 -8.492 -1.928 1.00 45.12 N ATOM 423 CA ILE A 29 5.192 -7.176 -2.288 1.00 72.23 C ATOM 424 C ILE A 29 4.068 -6.237 -2.737 1.00 33.44 C ATOM 425 O ILE A 29 4.059 -5.077 -2.358 1.00 40.41 O ATOM 426 CB ILE A 29 6.289 -7.279 -3.413 1.00 73.14 C ATOM 427 CG1 ILE A 29 7.354 -8.347 -3.033 1.00 61.55 C ATOM 428 CG2 ILE A 29 6.967 -5.909 -3.684 1.00 44.52 C ATOM 429 CD1 ILE A 29 8.057 -8.098 -1.708 1.00 22.02 C ATOM 0 H ILE A 29 4.825 -9.219 -2.619 1.00 45.12 H new ATOM 0 HA ILE A 29 5.674 -6.772 -1.398 1.00 72.23 H new ATOM 0 HB ILE A 29 5.791 -7.585 -4.333 1.00 73.14 H new ATOM 0 HG12 ILE A 29 6.872 -9.324 -2.995 1.00 61.55 H new ATOM 0 HG13 ILE A 29 8.103 -8.391 -3.824 1.00 61.55 H new ATOM 0 HG21 ILE A 29 7.717 -6.023 -4.466 1.00 44.52 H new ATOM 0 HG22 ILE A 29 6.215 -5.188 -4.005 1.00 44.52 H new ATOM 0 HG23 ILE A 29 7.445 -5.553 -2.772 1.00 44.52 H new ATOM 0 HD11 ILE A 29 8.781 -8.892 -1.526 1.00 22.02 H new ATOM 0 HD12 ILE A 29 8.572 -7.138 -1.744 1.00 22.02 H new ATOM 0 HD13 ILE A 29 7.322 -8.085 -0.903 1.00 22.02 H new ATOM 441 N GLU A 30 3.112 -6.762 -3.523 1.00 34.21 N ATOM 442 CA GLU A 30 1.937 -5.991 -3.975 1.00 13.43 C ATOM 443 C GLU A 30 1.076 -5.549 -2.772 1.00 61.33 C ATOM 444 O GLU A 30 0.514 -4.465 -2.783 1.00 22.24 O ATOM 445 CB GLU A 30 1.083 -6.819 -4.976 1.00 74.55 C ATOM 446 CG GLU A 30 1.677 -6.979 -6.399 1.00 75.30 C ATOM 447 CD GLU A 30 3.022 -7.723 -6.467 1.00 21.25 C ATOM 448 OE1 GLU A 30 3.172 -8.762 -5.788 1.00 53.31 O ATOM 449 OE2 GLU A 30 3.921 -7.299 -7.223 1.00 11.23 O1- ATOM 0 H GLU A 30 3.130 -7.724 -3.861 1.00 34.21 H new ATOM 0 HA GLU A 30 2.298 -5.099 -4.487 1.00 13.43 H new ATOM 0 HB2 GLU A 30 0.925 -7.812 -4.555 1.00 74.55 H new ATOM 0 HB3 GLU A 30 0.103 -6.350 -5.063 1.00 74.55 H new ATOM 0 HG2 GLU A 30 0.955 -7.510 -7.019 1.00 75.30 H new ATOM 0 HG3 GLU A 30 1.805 -5.988 -6.835 1.00 75.30 H new ATOM 456 N LYS A 31 1.005 -6.404 -1.739 1.00 42.42 N ATOM 457 CA LYS A 31 0.250 -6.129 -0.500 1.00 20.43 C ATOM 458 C LYS A 31 1.023 -5.176 0.428 1.00 72.31 C ATOM 459 O LYS A 31 0.411 -4.403 1.162 1.00 64.23 O ATOM 460 CB LYS A 31 -0.074 -7.461 0.227 1.00 51.54 C ATOM 461 CG LYS A 31 -1.101 -8.346 -0.511 1.00 73.43 C ATOM 462 CD LYS A 31 -1.279 -9.719 0.171 1.00 15.44 C ATOM 463 CE LYS A 31 -2.399 -10.547 -0.465 1.00 1.21 C ATOM 464 NZ LYS A 31 -3.730 -9.900 -0.300 1.00 24.03 N1+ ATOM 0 H LYS A 31 1.471 -7.311 -1.737 1.00 42.42 H new ATOM 0 HA LYS A 31 -0.684 -5.636 -0.770 1.00 20.43 H new ATOM 0 HB2 LYS A 31 0.849 -8.026 0.358 1.00 51.54 H new ATOM 0 HB3 LYS A 31 -0.454 -7.236 1.224 1.00 51.54 H new ATOM 0 HG2 LYS A 31 -2.062 -7.832 -0.548 1.00 73.43 H new ATOM 0 HG3 LYS A 31 -0.778 -8.493 -1.542 1.00 73.43 H new ATOM 0 HD2 LYS A 31 -0.343 -10.274 0.113 1.00 15.44 H new ATOM 0 HD3 LYS A 31 -1.497 -9.571 1.229 1.00 15.44 H new ATOM 0 HE2 LYS A 31 -2.191 -10.684 -1.526 1.00 1.21 H new ATOM 0 HE3 LYS A 31 -2.419 -11.539 -0.013 1.00 1.21 H new ATOM 0 HZ1 LYS A 31 -4.478 -10.575 -0.557 1.00 24.03 H new ATOM 0 HZ2 LYS A 31 -3.853 -9.607 0.690 1.00 24.03 H new ATOM 0 HZ3 LYS A 31 -3.789 -9.065 -0.918 1.00 24.03 H new ATOM 478 N GLN A 32 2.367 -5.253 0.396 1.00 51.34 N ATOM 479 CA GLN A 32 3.240 -4.358 1.179 1.00 62.33 C ATOM 480 C GLN A 32 3.098 -2.921 0.655 1.00 21.14 C ATOM 481 O GLN A 32 2.827 -1.988 1.420 1.00 14.51 O ATOM 482 CB GLN A 32 4.718 -4.837 1.085 1.00 61.30 C ATOM 483 CG GLN A 32 5.741 -4.001 1.893 1.00 31.30 C ATOM 484 CD GLN A 32 5.516 -4.001 3.415 1.00 61.40 C ATOM 485 OE1 GLN A 32 5.788 -3.008 4.093 1.00 73.41 O ATOM 486 NE2 GLN A 32 5.064 -5.119 3.975 1.00 35.14 N ATOM 0 H GLN A 32 2.875 -5.933 -0.169 1.00 51.34 H new ATOM 0 HA GLN A 32 2.942 -4.382 2.227 1.00 62.33 H new ATOM 0 HB2 GLN A 32 4.769 -5.871 1.426 1.00 61.30 H new ATOM 0 HB3 GLN A 32 5.018 -4.832 0.037 1.00 61.30 H new ATOM 0 HG2 GLN A 32 6.742 -4.381 1.688 1.00 31.30 H new ATOM 0 HG3 GLN A 32 5.711 -2.972 1.535 1.00 31.30 H new ATOM 0 HE21 GLN A 32 4.845 -5.928 3.394 1.00 35.14 H new ATOM 0 HE22 GLN A 32 4.936 -5.167 4.986 1.00 35.14 H new ATOM 495 N VAL A 33 3.237 -2.783 -0.672 1.00 55.22 N ATOM 496 CA VAL A 33 3.107 -1.504 -1.375 1.00 63.40 C ATOM 497 C VAL A 33 1.664 -0.969 -1.251 1.00 62.45 C ATOM 498 O VAL A 33 1.467 0.213 -0.979 1.00 21.44 O ATOM 499 CB VAL A 33 3.529 -1.663 -2.886 1.00 20.12 C ATOM 500 CG1 VAL A 33 3.331 -0.367 -3.700 1.00 14.22 C ATOM 501 CG2 VAL A 33 4.990 -2.153 -3.000 1.00 32.25 C ATOM 0 H VAL A 33 3.445 -3.566 -1.291 1.00 55.22 H new ATOM 0 HA VAL A 33 3.777 -0.778 -0.914 1.00 63.40 H new ATOM 0 HB VAL A 33 2.867 -2.414 -3.316 1.00 20.12 H new ATOM 0 HG11 VAL A 33 3.638 -0.535 -4.732 1.00 14.22 H new ATOM 0 HG12 VAL A 33 2.280 -0.079 -3.676 1.00 14.22 H new ATOM 0 HG13 VAL A 33 3.935 0.430 -3.267 1.00 14.22 H new ATOM 0 HG21 VAL A 33 5.258 -2.255 -4.051 1.00 32.25 H new ATOM 0 HG22 VAL A 33 5.654 -1.431 -2.524 1.00 32.25 H new ATOM 0 HG23 VAL A 33 5.090 -3.119 -2.505 1.00 32.25 H new ATOM 511 N ALA A 34 0.665 -1.870 -1.393 1.00 42.41 N ATOM 512 CA ALA A 34 -0.765 -1.507 -1.306 1.00 41.32 C ATOM 513 C ALA A 34 -1.105 -0.907 0.061 1.00 23.24 C ATOM 514 O ALA A 34 -1.669 0.183 0.136 1.00 71.30 O ATOM 515 CB ALA A 34 -1.664 -2.719 -1.584 1.00 32.45 C ATOM 0 H ALA A 34 0.827 -2.861 -1.570 1.00 42.41 H new ATOM 0 HA ALA A 34 -0.952 -0.753 -2.071 1.00 41.32 H new ATOM 0 HB1 ALA A 34 -2.710 -2.420 -1.513 1.00 32.45 H new ATOM 0 HB2 ALA A 34 -1.463 -3.099 -2.586 1.00 32.45 H new ATOM 0 HB3 ALA A 34 -1.459 -3.500 -0.852 1.00 32.45 H new ATOM 521 N ALA A 35 -0.710 -1.620 1.129 1.00 65.11 N ATOM 522 CA ALA A 35 -1.013 -1.235 2.520 1.00 53.42 C ATOM 523 C ALA A 35 -0.474 0.162 2.853 1.00 23.11 C ATOM 524 O ALA A 35 -1.195 0.993 3.409 1.00 22.43 O ATOM 525 CB ALA A 35 -0.450 -2.280 3.496 1.00 13.22 C ATOM 0 H ALA A 35 -0.170 -2.482 1.053 1.00 65.11 H new ATOM 0 HA ALA A 35 -2.097 -1.199 2.627 1.00 53.42 H new ATOM 0 HB1 ALA A 35 -0.681 -1.984 4.519 1.00 13.22 H new ATOM 0 HB2 ALA A 35 -0.900 -3.251 3.289 1.00 13.22 H new ATOM 0 HB3 ALA A 35 0.631 -2.348 3.373 1.00 13.22 H new ATOM 531 N LEU A 36 0.784 0.415 2.457 1.00 15.54 N ATOM 532 CA LEU A 36 1.490 1.678 2.747 1.00 31.03 C ATOM 533 C LEU A 36 0.914 2.841 1.917 1.00 71.02 C ATOM 534 O LEU A 36 0.800 3.970 2.418 1.00 43.20 O ATOM 535 CB LEU A 36 3.011 1.489 2.495 1.00 61.34 C ATOM 536 CG LEU A 36 3.700 0.383 3.363 1.00 63.04 C ATOM 537 CD1 LEU A 36 5.184 0.199 2.974 1.00 33.13 C ATOM 538 CD2 LEU A 36 3.527 0.666 4.874 1.00 1.31 C ATOM 0 H LEU A 36 1.344 -0.251 1.925 1.00 15.54 H new ATOM 0 HA LEU A 36 1.342 1.938 3.795 1.00 31.03 H new ATOM 0 HB2 LEU A 36 3.161 1.248 1.443 1.00 61.34 H new ATOM 0 HB3 LEU A 36 3.514 2.438 2.679 1.00 61.34 H new ATOM 0 HG LEU A 36 3.199 -0.562 3.154 1.00 63.04 H new ATOM 0 HD11 LEU A 36 5.630 -0.576 3.597 1.00 33.13 H new ATOM 0 HD12 LEU A 36 5.252 -0.094 1.926 1.00 33.13 H new ATOM 0 HD13 LEU A 36 5.718 1.137 3.124 1.00 33.13 H new ATOM 0 HD21 LEU A 36 4.016 -0.120 5.450 1.00 1.31 H new ATOM 0 HD22 LEU A 36 3.977 1.628 5.118 1.00 1.31 H new ATOM 0 HD23 LEU A 36 2.466 0.689 5.121 1.00 1.31 H new ATOM 550 N TRP A 37 0.531 2.558 0.658 1.00 54.24 N ATOM 551 CA TRP A 37 -0.149 3.548 -0.208 1.00 63.41 C ATOM 552 C TRP A 37 -1.528 3.924 0.388 1.00 52.10 C ATOM 553 O TRP A 37 -1.916 5.079 0.364 1.00 22.01 O ATOM 554 CB TRP A 37 -0.311 3.021 -1.667 1.00 51.25 C ATOM 555 CG TRP A 37 0.950 3.014 -2.521 1.00 1.21 C ATOM 556 CD1 TRP A 37 2.251 2.987 -2.095 1.00 55.02 C ATOM 557 CD2 TRP A 37 1.012 3.011 -3.964 1.00 50.52 C ATOM 558 NE1 TRP A 37 3.104 2.985 -3.169 1.00 24.54 N ATOM 559 CE2 TRP A 37 2.373 2.995 -4.324 1.00 12.12 C ATOM 560 CE3 TRP A 37 0.050 3.030 -4.985 1.00 72.34 C ATOM 561 CZ2 TRP A 37 2.800 2.989 -5.652 1.00 41.23 C ATOM 562 CZ3 TRP A 37 0.477 3.021 -6.305 1.00 70.12 C ATOM 563 CH2 TRP A 37 1.843 3.003 -6.625 1.00 52.25 C ATOM 0 H TRP A 37 0.680 1.652 0.214 1.00 54.24 H new ATOM 0 HA TRP A 37 0.476 4.440 -0.248 1.00 63.41 H new ATOM 0 HB2 TRP A 37 -0.701 2.004 -1.623 1.00 51.25 H new ATOM 0 HB3 TRP A 37 -1.063 3.629 -2.170 1.00 51.25 H new ATOM 0 HD1 TRP A 37 2.561 2.970 -1.061 1.00 55.02 H new ATOM 0 HE1 TRP A 37 4.123 2.977 -3.115 1.00 24.54 H new ATOM 0 HE3 TRP A 37 -1.003 3.051 -4.748 1.00 72.34 H new ATOM 0 HZ2 TRP A 37 3.851 2.974 -5.901 1.00 41.23 H new ATOM 0 HZ3 TRP A 37 -0.254 3.028 -7.100 1.00 70.12 H new ATOM 0 HH2 TRP A 37 2.143 3.000 -7.662 1.00 52.25 H new ATOM 574 N GLN A 38 -2.235 2.939 0.969 1.00 2.33 N ATOM 575 CA GLN A 38 -3.579 3.148 1.573 1.00 0.45 C ATOM 576 C GLN A 38 -3.526 4.040 2.834 1.00 42.50 C ATOM 577 O GLN A 38 -4.555 4.592 3.238 1.00 54.34 O ATOM 578 CB GLN A 38 -4.251 1.774 1.881 1.00 34.22 C ATOM 579 CG GLN A 38 -4.650 0.995 0.609 1.00 0.11 C ATOM 580 CD GLN A 38 -5.126 -0.441 0.842 1.00 4.21 C ATOM 581 OE1 GLN A 38 -5.708 -0.763 1.874 1.00 30.10 O ATOM 582 NE2 GLN A 38 -4.883 -1.315 -0.131 1.00 60.33 N ATOM 0 H GLN A 38 -1.900 1.978 1.037 1.00 2.33 H new ATOM 0 HA GLN A 38 -4.188 3.681 0.843 1.00 0.45 H new ATOM 0 HB2 GLN A 38 -3.566 1.166 2.472 1.00 34.22 H new ATOM 0 HB3 GLN A 38 -5.139 1.939 2.492 1.00 34.22 H new ATOM 0 HG2 GLN A 38 -5.442 1.544 0.100 1.00 0.11 H new ATOM 0 HG3 GLN A 38 -3.794 0.971 -0.066 1.00 0.11 H new ATOM 0 HE21 GLN A 38 -4.397 -1.015 -0.976 1.00 60.33 H new ATOM 0 HE22 GLN A 38 -5.183 -2.285 -0.032 1.00 60.33 H new ATOM 591 N GLN A 39 -2.327 4.179 3.436 1.00 42.33 N ATOM 592 CA GLN A 39 -2.109 5.043 4.616 1.00 41.25 C ATOM 593 C GLN A 39 -1.847 6.500 4.177 1.00 20.24 C ATOM 594 O GLN A 39 -2.598 7.414 4.541 1.00 61.30 O ATOM 595 CB GLN A 39 -0.913 4.518 5.466 1.00 0.45 C ATOM 596 CG GLN A 39 -0.960 3.012 5.804 1.00 74.12 C ATOM 597 CD GLN A 39 -2.257 2.552 6.485 1.00 64.34 C ATOM 598 OE1 GLN A 39 -2.866 3.285 7.265 1.00 21.00 O ATOM 599 NE2 GLN A 39 -2.697 1.336 6.185 1.00 41.43 N ATOM 0 H GLN A 39 -1.485 3.698 3.120 1.00 42.33 H new ATOM 0 HA GLN A 39 -3.010 5.017 5.229 1.00 41.25 H new ATOM 0 HB2 GLN A 39 0.013 4.725 4.929 1.00 0.45 H new ATOM 0 HB3 GLN A 39 -0.874 5.082 6.398 1.00 0.45 H new ATOM 0 HG2 GLN A 39 -0.825 2.442 4.885 1.00 74.12 H new ATOM 0 HG3 GLN A 39 -0.119 2.772 6.454 1.00 74.12 H new ATOM 0 HE21 GLN A 39 -2.173 0.750 5.536 1.00 41.43 H new ATOM 0 HE22 GLN A 39 -3.559 0.988 6.604 1.00 41.43 H new ATOM 608 N LEU A 40 -0.779 6.688 3.373 1.00 3.11 N ATOM 609 CA LEU A 40 -0.302 8.015 2.941 1.00 53.24 C ATOM 610 C LEU A 40 -1.286 8.691 1.950 1.00 52.00 C ATOM 611 O LEU A 40 -1.524 9.904 2.047 1.00 33.43 O ATOM 612 CB LEU A 40 1.122 7.887 2.325 1.00 74.24 C ATOM 613 CG LEU A 40 2.323 7.721 3.320 1.00 21.41 C ATOM 614 CD1 LEU A 40 2.439 8.931 4.274 1.00 42.35 C ATOM 615 CD2 LEU A 40 2.283 6.381 4.097 1.00 42.14 C ATOM 0 H LEU A 40 -0.222 5.917 3.004 1.00 3.11 H new ATOM 0 HA LEU A 40 -0.251 8.661 3.818 1.00 53.24 H new ATOM 0 HB2 LEU A 40 1.122 7.031 1.650 1.00 74.24 H new ATOM 0 HB3 LEU A 40 1.307 8.772 1.717 1.00 74.24 H new ATOM 0 HG LEU A 40 3.226 7.691 2.710 1.00 21.41 H new ATOM 0 HD11 LEU A 40 3.281 8.782 4.949 1.00 42.35 H new ATOM 0 HD12 LEU A 40 2.596 9.839 3.692 1.00 42.35 H new ATOM 0 HD13 LEU A 40 1.521 9.026 4.854 1.00 42.35 H new ATOM 0 HD21 LEU A 40 3.139 6.324 4.769 1.00 42.14 H new ATOM 0 HD22 LEU A 40 1.362 6.324 4.677 1.00 42.14 H new ATOM 0 HD23 LEU A 40 2.320 5.550 3.392 1.00 42.14 H new ATOM 627 N LEU A 41 -1.847 7.906 0.997 1.00 35.22 N ATOM 628 CA LEU A 41 -2.892 8.407 0.062 1.00 70.23 C ATOM 629 C LEU A 41 -4.255 8.503 0.784 1.00 33.32 C ATOM 630 O LEU A 41 -5.136 9.239 0.342 1.00 54.24 O ATOM 631 CB LEU A 41 -3.039 7.492 -1.198 1.00 41.42 C ATOM 632 CG LEU A 41 -1.757 7.211 -2.031 1.00 74.03 C ATOM 633 CD1 LEU A 41 -2.026 6.239 -3.202 1.00 24.14 C ATOM 634 CD2 LEU A 41 -1.113 8.510 -2.525 1.00 12.04 C ATOM 0 H LEU A 41 -1.596 6.928 0.854 1.00 35.22 H new ATOM 0 HA LEU A 41 -2.577 9.396 -0.271 1.00 70.23 H new ATOM 0 HB2 LEU A 41 -3.446 6.535 -0.873 1.00 41.42 H new ATOM 0 HB3 LEU A 41 -3.778 7.945 -1.859 1.00 41.42 H new ATOM 0 HG LEU A 41 -1.048 6.721 -1.364 1.00 74.03 H new ATOM 0 HD11 LEU A 41 -1.102 6.072 -3.756 1.00 24.14 H new ATOM 0 HD12 LEU A 41 -2.391 5.290 -2.810 1.00 24.14 H new ATOM 0 HD13 LEU A 41 -2.775 6.669 -3.867 1.00 24.14 H new ATOM 0 HD21 LEU A 41 -0.219 8.276 -3.104 1.00 12.04 H new ATOM 0 HD22 LEU A 41 -1.821 9.051 -3.153 1.00 12.04 H new ATOM 0 HD23 LEU A 41 -0.840 9.129 -1.670 1.00 12.04 H new ATOM 646 N SER A 42 -4.408 7.726 1.882 1.00 20.12 N ATOM 647 CA SER A 42 -5.635 7.688 2.715 1.00 20.24 C ATOM 648 C SER A 42 -6.848 7.179 1.897 1.00 22.53 C ATOM 649 O SER A 42 -7.903 7.826 1.830 1.00 31.52 O ATOM 650 CB SER A 42 -5.902 9.080 3.367 1.00 50.24 C ATOM 651 OG SER A 42 -4.766 9.533 4.092 1.00 21.51 O ATOM 0 H SER A 42 -3.676 7.101 2.219 1.00 20.12 H new ATOM 0 HA SER A 42 -5.481 6.976 3.526 1.00 20.24 H new ATOM 0 HB2 SER A 42 -6.156 9.805 2.593 1.00 50.24 H new ATOM 0 HB3 SER A 42 -6.761 9.013 4.035 1.00 50.24 H new ATOM 0 HG SER A 42 -4.127 8.797 4.191 1.00 21.51 H new ATOM 657 N THR A 43 -6.669 5.998 1.279 1.00 74.42 N ATOM 658 CA THR A 43 -7.656 5.395 0.352 1.00 15.14 C ATOM 659 C THR A 43 -8.380 4.200 1.005 1.00 0.14 C ATOM 660 O THR A 43 -7.947 3.705 2.057 1.00 71.40 O ATOM 661 CB THR A 43 -6.945 4.910 -0.958 1.00 13.14 C ATOM 662 OG1 THR A 43 -6.025 3.844 -0.656 1.00 63.00 O ATOM 663 CG2 THR A 43 -6.166 6.045 -1.644 1.00 3.04 C ATOM 0 H THR A 43 -5.833 5.428 1.406 1.00 74.42 H new ATOM 0 HA THR A 43 -8.392 6.162 0.111 1.00 15.14 H new ATOM 0 HB THR A 43 -7.726 4.563 -1.635 1.00 13.14 H new ATOM 0 HG1 THR A 43 -6.370 3.002 -1.019 1.00 63.00 H new ATOM 0 HG21 THR A 43 -5.689 5.665 -2.547 1.00 3.04 H new ATOM 0 HG22 THR A 43 -6.852 6.850 -1.907 1.00 3.04 H new ATOM 0 HG23 THR A 43 -5.404 6.426 -0.964 1.00 3.04 H new ATOM 671 N GLY A 44 -9.467 3.730 0.348 1.00 53.13 N ATOM 672 CA GLY A 44 -10.166 2.508 0.757 1.00 64.52 C ATOM 673 C GLY A 44 -9.324 1.267 0.480 1.00 21.32 C ATOM 674 O GLY A 44 -8.995 0.511 1.399 1.00 0.01 O ATOM 0 H GLY A 44 -9.873 4.187 -0.469 1.00 53.13 H new ATOM 0 HA2 GLY A 44 -10.402 2.560 1.820 1.00 64.52 H new ATOM 0 HA3 GLY A 44 -11.114 2.433 0.224 1.00 64.52 H new ATOM 678 N ASN A 45 -8.956 1.088 -0.797 1.00 43.32 N ATOM 679 CA ASN A 45 -8.065 0.006 -1.244 1.00 33.54 C ATOM 680 C ASN A 45 -7.479 0.361 -2.618 1.00 32.40 C ATOM 681 O ASN A 45 -8.198 0.348 -3.626 1.00 42.11 O ATOM 682 CB ASN A 45 -8.815 -1.361 -1.308 1.00 62.20 C ATOM 683 CG ASN A 45 -7.887 -2.558 -1.574 1.00 2.21 C ATOM 684 OD1 ASN A 45 -7.648 -2.948 -2.720 1.00 4.40 O ATOM 685 ND2 ASN A 45 -7.360 -3.154 -0.509 1.00 11.40 N ATOM 0 H ASN A 45 -9.270 1.694 -1.555 1.00 43.32 H new ATOM 0 HA ASN A 45 -7.257 -0.098 -0.519 1.00 33.54 H new ATOM 0 HB2 ASN A 45 -9.342 -1.522 -0.367 1.00 62.20 H new ATOM 0 HB3 ASN A 45 -9.570 -1.316 -2.093 1.00 62.20 H new ATOM 0 HD21 ASN A 45 -6.740 -3.955 -0.628 1.00 11.40 H new ATOM 0 HD22 ASN A 45 -7.575 -2.810 0.427 1.00 11.40 H new ATOM 692 N VAL A 46 -6.183 0.727 -2.652 1.00 23.21 N ATOM 693 CA VAL A 46 -5.443 0.864 -3.913 1.00 42.32 C ATOM 694 C VAL A 46 -5.196 -0.533 -4.525 1.00 61.44 C ATOM 695 O VAL A 46 -4.794 -1.479 -3.824 1.00 22.00 O ATOM 696 CB VAL A 46 -4.081 1.643 -3.754 1.00 5.41 C ATOM 697 CG1 VAL A 46 -4.321 3.114 -3.369 1.00 5.20 C ATOM 698 CG2 VAL A 46 -3.148 0.965 -2.740 1.00 21.14 C ATOM 0 H VAL A 46 -5.631 0.932 -1.819 1.00 23.21 H new ATOM 0 HA VAL A 46 -6.061 1.463 -4.583 1.00 42.32 H new ATOM 0 HB VAL A 46 -3.587 1.619 -4.725 1.00 5.41 H new ATOM 0 HG11 VAL A 46 -3.363 3.624 -3.267 1.00 5.20 H new ATOM 0 HG12 VAL A 46 -4.911 3.602 -4.145 1.00 5.20 H new ATOM 0 HG13 VAL A 46 -4.859 3.159 -2.422 1.00 5.20 H new ATOM 0 HG21 VAL A 46 -2.222 1.534 -2.661 1.00 21.14 H new ATOM 0 HG22 VAL A 46 -3.635 0.928 -1.766 1.00 21.14 H new ATOM 0 HG23 VAL A 46 -2.924 -0.049 -3.073 1.00 21.14 H new ATOM 708 N THR A 47 -5.474 -0.652 -5.824 1.00 73.01 N ATOM 709 CA THR A 47 -5.367 -1.911 -6.577 1.00 43.44 C ATOM 710 C THR A 47 -4.083 -1.936 -7.443 1.00 65.32 C ATOM 711 O THR A 47 -3.393 -0.924 -7.542 1.00 75.51 O ATOM 712 CB THR A 47 -6.644 -2.095 -7.457 1.00 32.54 C ATOM 713 OG1 THR A 47 -6.846 -0.953 -8.303 1.00 12.41 O ATOM 714 CG2 THR A 47 -7.907 -2.340 -6.597 1.00 33.43 C ATOM 0 H THR A 47 -5.785 0.134 -6.395 1.00 73.01 H new ATOM 0 HA THR A 47 -5.296 -2.741 -5.875 1.00 43.44 H new ATOM 0 HB THR A 47 -6.481 -2.977 -8.076 1.00 32.54 H new ATOM 0 HG1 THR A 47 -6.196 -0.256 -8.073 1.00 12.41 H new ATOM 0 HG21 THR A 47 -8.772 -2.463 -7.248 1.00 33.43 H new ATOM 0 HG22 THR A 47 -7.771 -3.242 -6.000 1.00 33.43 H new ATOM 0 HG23 THR A 47 -8.068 -1.488 -5.936 1.00 33.43 H new ATOM 722 N ARG A 48 -3.782 -3.099 -8.064 1.00 44.13 N ATOM 723 CA ARG A 48 -2.553 -3.311 -8.879 1.00 34.10 C ATOM 724 C ARG A 48 -2.377 -2.243 -9.984 1.00 73.05 C ATOM 725 O ARG A 48 -1.262 -1.769 -10.224 1.00 4.03 O ATOM 726 CB ARG A 48 -2.554 -4.730 -9.518 1.00 62.33 C ATOM 727 CG ARG A 48 -3.776 -5.020 -10.412 1.00 43.32 C ATOM 728 CD ARG A 48 -3.607 -6.250 -11.306 1.00 52.31 C ATOM 729 NE ARG A 48 -2.586 -6.030 -12.340 1.00 60.02 N ATOM 730 CZ ARG A 48 -2.361 -6.817 -13.402 1.00 75.14 C ATOM 731 NH1 ARG A 48 -3.065 -7.933 -13.593 1.00 61.32 N1+ ATOM 732 NH2 ARG A 48 -1.439 -6.458 -14.283 1.00 4.42 N ATOM 0 H ARG A 48 -4.383 -3.922 -8.017 1.00 44.13 H new ATOM 0 HA ARG A 48 -1.710 -3.217 -8.194 1.00 34.10 H new ATOM 0 HB2 ARG A 48 -1.647 -4.850 -10.111 1.00 62.33 H new ATOM 0 HB3 ARG A 48 -2.515 -5.474 -8.723 1.00 62.33 H new ATOM 0 HG2 ARG A 48 -4.653 -5.159 -9.779 1.00 43.32 H new ATOM 0 HG3 ARG A 48 -3.971 -4.150 -11.039 1.00 43.32 H new ATOM 0 HD2 ARG A 48 -3.328 -7.109 -10.695 1.00 52.31 H new ATOM 0 HD3 ARG A 48 -4.559 -6.490 -11.779 1.00 52.31 H new ATOM 0 HE ARG A 48 -1.995 -5.204 -12.241 1.00 60.02 H new ATOM 0 HH11 ARG A 48 -3.788 -8.200 -12.925 1.00 61.32 H new ATOM 0 HH12 ARG A 48 -2.880 -8.520 -14.407 1.00 61.32 H new ATOM 0 HH21 ARG A 48 -0.913 -5.595 -14.148 1.00 4.42 H new ATOM 0 HH22 ARG A 48 -1.255 -7.045 -15.097 1.00 4.42 H new ATOM 746 N GLU A 49 -3.495 -1.850 -10.638 1.00 22.03 N ATOM 747 CA GLU A 49 -3.465 -0.899 -11.764 1.00 45.22 C ATOM 748 C GLU A 49 -3.864 0.513 -11.321 1.00 23.22 C ATOM 749 O GLU A 49 -4.235 1.347 -12.146 1.00 41.24 O ATOM 750 CB GLU A 49 -4.342 -1.404 -12.941 1.00 62.41 C ATOM 751 CG GLU A 49 -3.927 -2.781 -13.509 1.00 31.43 C ATOM 752 CD GLU A 49 -2.440 -2.869 -13.909 1.00 0.21 C ATOM 753 OE1 GLU A 49 -1.611 -3.368 -13.103 1.00 1.05 O ATOM 754 OE2 GLU A 49 -2.089 -2.437 -15.029 1.00 70.13 O1- ATOM 0 H GLU A 49 -4.430 -2.181 -10.401 1.00 22.03 H new ATOM 0 HA GLU A 49 -2.437 -0.839 -12.122 1.00 45.22 H new ATOM 0 HB2 GLU A 49 -5.378 -1.461 -12.607 1.00 62.41 H new ATOM 0 HB3 GLU A 49 -4.307 -0.669 -13.745 1.00 62.41 H new ATOM 0 HG2 GLU A 49 -4.139 -3.549 -12.765 1.00 31.43 H new ATOM 0 HG3 GLU A 49 -4.542 -3.004 -14.381 1.00 31.43 H new ATOM 761 N THR A 50 -3.754 0.778 -10.016 1.00 30.42 N ATOM 762 CA THR A 50 -3.869 2.126 -9.466 1.00 25.33 C ATOM 763 C THR A 50 -2.540 2.870 -9.649 1.00 63.25 C ATOM 764 O THR A 50 -1.469 2.354 -9.291 1.00 33.52 O ATOM 765 CB THR A 50 -4.253 2.082 -7.957 1.00 55.31 C ATOM 766 OG1 THR A 50 -5.546 1.475 -7.815 1.00 31.21 O ATOM 767 CG2 THR A 50 -4.268 3.474 -7.302 1.00 50.50 C ATOM 0 H THR A 50 -3.582 0.060 -9.312 1.00 30.42 H new ATOM 0 HA THR A 50 -4.659 2.653 -10.001 1.00 25.33 H new ATOM 0 HB THR A 50 -3.489 1.495 -7.446 1.00 55.31 H new ATOM 0 HG1 THR A 50 -6.058 1.952 -7.129 1.00 31.21 H new ATOM 0 HG21 THR A 50 -4.542 3.379 -6.251 1.00 50.50 H new ATOM 0 HG22 THR A 50 -3.278 3.923 -7.379 1.00 50.50 H new ATOM 0 HG23 THR A 50 -4.995 4.108 -7.811 1.00 50.50 H new ATOM 775 N ASP A 51 -2.625 4.081 -10.218 1.00 54.25 N ATOM 776 CA ASP A 51 -1.472 4.972 -10.379 1.00 54.15 C ATOM 777 C ASP A 51 -1.412 5.940 -9.185 1.00 2.24 C ATOM 778 O ASP A 51 -2.410 6.601 -8.858 1.00 73.44 O ATOM 779 CB ASP A 51 -1.550 5.745 -11.721 1.00 63.35 C ATOM 780 CG ASP A 51 -1.442 4.835 -12.965 1.00 21.41 C ATOM 781 OD1 ASP A 51 -2.375 4.795 -13.787 1.00 73.24 O ATOM 782 OD2 ASP A 51 -0.406 4.168 -13.130 1.00 14.11 O1- ATOM 0 H ASP A 51 -3.497 4.469 -10.579 1.00 54.25 H new ATOM 0 HA ASP A 51 -0.559 4.377 -10.403 1.00 54.15 H new ATOM 0 HB2 ASP A 51 -2.492 6.292 -11.762 1.00 63.35 H new ATOM 0 HB3 ASP A 51 -0.750 6.485 -11.752 1.00 63.35 H new ATOM 787 N PHE A 52 -0.221 5.994 -8.563 1.00 15.33 N ATOM 788 CA PHE A 52 0.047 6.701 -7.300 1.00 23.21 C ATOM 789 C PHE A 52 -0.484 8.146 -7.294 1.00 74.55 C ATOM 790 O PHE A 52 -1.287 8.522 -6.428 1.00 35.40 O ATOM 791 CB PHE A 52 1.582 6.688 -7.044 1.00 13.50 C ATOM 792 CG PHE A 52 2.021 7.337 -5.738 1.00 55.14 C ATOM 793 CD1 PHE A 52 1.888 6.656 -4.536 1.00 1.13 C ATOM 794 CD2 PHE A 52 2.564 8.624 -5.712 1.00 14.22 C ATOM 795 CE1 PHE A 52 2.276 7.235 -3.353 1.00 74.22 C ATOM 796 CE2 PHE A 52 2.952 9.202 -4.526 1.00 12.12 C ATOM 797 CZ PHE A 52 2.806 8.507 -3.348 1.00 55.42 C ATOM 0 H PHE A 52 0.607 5.532 -8.938 1.00 15.33 H new ATOM 0 HA PHE A 52 -0.484 6.181 -6.503 1.00 23.21 H new ATOM 0 HB2 PHE A 52 1.928 5.654 -7.053 1.00 13.50 H new ATOM 0 HB3 PHE A 52 2.078 7.198 -7.870 1.00 13.50 H new ATOM 0 HD1 PHE A 52 1.474 5.658 -4.531 1.00 1.13 H new ATOM 0 HD2 PHE A 52 2.681 9.172 -6.635 1.00 14.22 H new ATOM 0 HE1 PHE A 52 2.166 6.693 -2.425 1.00 74.22 H new ATOM 0 HE2 PHE A 52 3.370 10.198 -4.520 1.00 12.12 H new ATOM 0 HZ PHE A 52 3.108 8.960 -2.415 1.00 55.42 H new ATOM 807 N PHE A 53 -0.047 8.928 -8.293 1.00 45.50 N ATOM 808 CA PHE A 53 -0.272 10.382 -8.340 1.00 72.24 C ATOM 809 C PHE A 53 -1.739 10.730 -8.662 1.00 45.11 C ATOM 810 O PHE A 53 -2.261 11.734 -8.172 1.00 52.24 O ATOM 811 CB PHE A 53 0.698 11.048 -9.345 1.00 3.44 C ATOM 812 CG PHE A 53 2.178 10.815 -9.016 1.00 60.41 C ATOM 813 CD1 PHE A 53 2.898 9.783 -9.626 1.00 22.42 C ATOM 814 CD2 PHE A 53 2.839 11.610 -8.076 1.00 24.44 C ATOM 815 CE1 PHE A 53 4.222 9.557 -9.304 1.00 54.35 C ATOM 816 CE2 PHE A 53 4.171 11.381 -7.761 1.00 64.41 C ATOM 817 CZ PHE A 53 4.859 10.353 -8.374 1.00 3.13 C ATOM 0 H PHE A 53 0.474 8.569 -9.093 1.00 45.50 H new ATOM 0 HA PHE A 53 -0.065 10.781 -7.347 1.00 72.24 H new ATOM 0 HB2 PHE A 53 0.492 10.665 -10.344 1.00 3.44 H new ATOM 0 HB3 PHE A 53 0.504 12.120 -9.368 1.00 3.44 H new ATOM 0 HD1 PHE A 53 2.413 9.155 -10.358 1.00 22.42 H new ATOM 0 HD2 PHE A 53 2.306 12.413 -7.588 1.00 24.44 H new ATOM 0 HE1 PHE A 53 4.762 8.753 -9.783 1.00 54.35 H new ATOM 0 HE2 PHE A 53 4.670 12.007 -7.036 1.00 64.41 H new ATOM 0 HZ PHE A 53 5.894 10.172 -8.126 1.00 3.13 H new ATOM 827 N GLN A 54 -2.398 9.871 -9.458 1.00 1.01 N ATOM 828 CA GLN A 54 -3.828 10.029 -9.811 1.00 74.21 C ATOM 829 C GLN A 54 -4.720 9.739 -8.585 1.00 71.10 C ATOM 830 O GLN A 54 -5.824 10.274 -8.457 1.00 22.35 O ATOM 831 CB GLN A 54 -4.213 9.073 -10.977 1.00 70.42 C ATOM 832 CG GLN A 54 -5.666 9.241 -11.479 1.00 2.40 C ATOM 833 CD GLN A 54 -6.109 8.198 -12.514 1.00 13.42 C ATOM 834 OE1 GLN A 54 -5.660 7.048 -12.502 1.00 42.14 O ATOM 835 NE2 GLN A 54 -6.980 8.598 -13.426 1.00 41.44 N ATOM 0 H GLN A 54 -1.961 9.049 -9.876 1.00 1.01 H new ATOM 0 HA GLN A 54 -3.987 11.059 -10.132 1.00 74.21 H new ATOM 0 HB2 GLN A 54 -3.531 9.241 -11.810 1.00 70.42 H new ATOM 0 HB3 GLN A 54 -4.070 8.043 -10.650 1.00 70.42 H new ATOM 0 HG2 GLN A 54 -6.340 9.194 -10.624 1.00 2.40 H new ATOM 0 HG3 GLN A 54 -5.773 10.234 -11.915 1.00 2.40 H new ATOM 0 HE21 GLN A 54 -7.333 9.555 -13.409 1.00 41.44 H new ATOM 0 HE22 GLN A 54 -7.299 7.949 -14.146 1.00 41.44 H new ATOM 844 N GLN A 55 -4.206 8.899 -7.677 1.00 65.50 N ATOM 845 CA GLN A 55 -4.939 8.415 -6.493 1.00 4.31 C ATOM 846 C GLN A 55 -4.774 9.379 -5.284 1.00 22.01 C ATOM 847 O GLN A 55 -4.924 8.986 -4.120 1.00 34.43 O ATOM 848 CB GLN A 55 -4.439 6.977 -6.172 1.00 23.10 C ATOM 849 CG GLN A 55 -5.348 6.179 -5.215 1.00 62.41 C ATOM 850 CD GLN A 55 -6.786 5.991 -5.706 1.00 45.42 C ATOM 851 OE1 GLN A 55 -7.718 5.979 -4.908 1.00 53.43 O ATOM 852 NE2 GLN A 55 -6.978 5.784 -7.007 1.00 21.41 N ATOM 0 H GLN A 55 -3.257 8.530 -7.742 1.00 65.50 H new ATOM 0 HA GLN A 55 -6.008 8.387 -6.702 1.00 4.31 H new ATOM 0 HB2 GLN A 55 -4.342 6.423 -7.106 1.00 23.10 H new ATOM 0 HB3 GLN A 55 -3.442 7.042 -5.735 1.00 23.10 H new ATOM 0 HG2 GLN A 55 -4.904 5.197 -5.048 1.00 62.41 H new ATOM 0 HG3 GLN A 55 -5.371 6.686 -4.250 1.00 62.41 H new ATOM 0 HE21 GLN A 55 -6.185 5.799 -7.648 1.00 21.41 H new ATOM 0 HE22 GLN A 55 -7.918 5.610 -7.362 1.00 21.41 H new ATOM 861 N GLY A 56 -4.478 10.655 -5.582 1.00 32.24 N ATOM 862 CA GLY A 56 -4.241 11.674 -4.558 1.00 41.52 C ATOM 863 C GLY A 56 -2.792 11.724 -4.121 1.00 33.41 C ATOM 864 O GLY A 56 -2.478 12.248 -3.049 1.00 14.03 O ATOM 0 H GLY A 56 -4.398 11.004 -6.537 1.00 32.24 H new ATOM 0 HA2 GLY A 56 -4.535 12.650 -4.945 1.00 41.52 H new ATOM 0 HA3 GLY A 56 -4.872 11.470 -3.693 1.00 41.52 H new ATOM 868 N GLY A 57 -1.911 11.163 -4.959 1.00 3.33 N ATOM 869 CA GLY A 57 -0.480 11.196 -4.719 1.00 61.32 C ATOM 870 C GLY A 57 0.160 12.465 -5.240 1.00 54.21 C ATOM 871 O GLY A 57 -0.315 13.066 -6.219 1.00 41.51 O ATOM 0 H GLY A 57 -2.178 10.678 -5.816 1.00 3.33 H new ATOM 0 HA2 GLY A 57 -0.291 11.109 -3.649 1.00 61.32 H new ATOM 0 HA3 GLY A 57 -0.014 10.334 -5.196 1.00 61.32 H new ATOM 875 N ASP A 58 1.242 12.866 -4.589 1.00 1.54 N ATOM 876 CA ASP A 58 2.046 14.031 -4.988 1.00 52.00 C ATOM 877 C ASP A 58 3.523 13.642 -4.887 1.00 42.45 C ATOM 878 O ASP A 58 3.841 12.584 -4.351 1.00 2.52 O ATOM 879 CB ASP A 58 1.724 15.256 -4.077 1.00 33.24 C ATOM 880 CG ASP A 58 2.258 16.591 -4.644 1.00 13.43 C ATOM 881 OD1 ASP A 58 3.364 17.018 -4.260 1.00 33.43 O ATOM 882 OD2 ASP A 58 1.589 17.188 -5.515 1.00 24.25 O1- ATOM 0 H ASP A 58 1.597 12.392 -3.759 1.00 1.54 H new ATOM 0 HA ASP A 58 1.811 14.321 -6.012 1.00 52.00 H new ATOM 0 HB2 ASP A 58 0.644 15.330 -3.946 1.00 33.24 H new ATOM 0 HB3 ASP A 58 2.154 15.090 -3.089 1.00 33.24 H new ATOM 887 N SER A 59 4.411 14.479 -5.423 1.00 60.21 N ATOM 888 CA SER A 59 5.867 14.313 -5.274 1.00 54.11 C ATOM 889 C SER A 59 6.286 14.457 -3.790 1.00 51.42 C ATOM 890 O SER A 59 7.166 13.743 -3.312 1.00 32.40 O ATOM 891 CB SER A 59 6.580 15.351 -6.159 1.00 62.22 C ATOM 892 OG SER A 59 6.104 16.659 -5.889 1.00 1.02 O ATOM 0 H SER A 59 4.146 15.295 -5.975 1.00 60.21 H new ATOM 0 HA SER A 59 6.157 13.312 -5.595 1.00 54.11 H new ATOM 0 HB2 SER A 59 7.655 15.307 -5.983 1.00 62.22 H new ATOM 0 HB3 SER A 59 6.419 15.111 -7.210 1.00 62.22 H new ATOM 0 HG SER A 59 6.572 17.302 -6.462 1.00 1.02 H new ATOM 898 N LEU A 60 5.618 15.380 -3.079 1.00 4.34 N ATOM 899 CA LEU A 60 5.820 15.636 -1.640 1.00 53.11 C ATOM 900 C LEU A 60 5.345 14.414 -0.829 1.00 0.24 C ATOM 901 O LEU A 60 6.060 13.919 0.057 1.00 11.31 O ATOM 902 CB LEU A 60 5.044 16.938 -1.257 1.00 71.23 C ATOM 903 CG LEU A 60 5.417 17.668 0.087 1.00 73.24 C ATOM 904 CD1 LEU A 60 4.785 19.075 0.126 1.00 73.34 C ATOM 905 CD2 LEU A 60 5.010 16.867 1.344 1.00 2.34 C ATOM 0 H LEU A 60 4.908 15.982 -3.495 1.00 4.34 H new ATOM 0 HA LEU A 60 6.875 15.785 -1.411 1.00 53.11 H new ATOM 0 HB2 LEU A 60 5.175 17.653 -2.070 1.00 71.23 H new ATOM 0 HB3 LEU A 60 3.983 16.692 -1.217 1.00 71.23 H new ATOM 0 HG LEU A 60 6.504 17.752 0.105 1.00 73.24 H new ATOM 0 HD11 LEU A 60 5.051 19.568 1.061 1.00 73.34 H new ATOM 0 HD12 LEU A 60 5.156 19.664 -0.713 1.00 73.34 H new ATOM 0 HD13 LEU A 60 3.701 18.989 0.058 1.00 73.34 H new ATOM 0 HD21 LEU A 60 5.294 17.423 2.237 1.00 2.34 H new ATOM 0 HD22 LEU A 60 3.931 16.710 1.342 1.00 2.34 H new ATOM 0 HD23 LEU A 60 5.517 15.902 1.341 1.00 2.34 H new ATOM 917 N LEU A 61 4.134 13.942 -1.166 1.00 23.13 N ATOM 918 CA LEU A 61 3.515 12.754 -0.552 1.00 75.35 C ATOM 919 C LEU A 61 4.393 11.513 -0.818 1.00 3.34 C ATOM 920 O LEU A 61 4.555 10.654 0.052 1.00 4.34 O ATOM 921 CB LEU A 61 2.063 12.600 -1.114 1.00 22.23 C ATOM 922 CG LEU A 61 1.074 11.678 -0.314 1.00 3.41 C ATOM 923 CD1 LEU A 61 -0.397 12.005 -0.649 1.00 30.44 C ATOM 924 CD2 LEU A 61 1.353 10.176 -0.531 1.00 32.52 C ATOM 0 H LEU A 61 3.550 14.378 -1.880 1.00 23.13 H new ATOM 0 HA LEU A 61 3.445 12.864 0.530 1.00 75.35 H new ATOM 0 HB2 LEU A 61 1.620 13.594 -1.179 1.00 22.23 H new ATOM 0 HB3 LEU A 61 2.134 12.215 -2.131 1.00 22.23 H new ATOM 0 HG LEU A 61 1.248 11.891 0.741 1.00 3.41 H new ATOM 0 HD11 LEU A 61 -1.055 11.349 -0.079 1.00 30.44 H new ATOM 0 HD12 LEU A 61 -0.607 13.043 -0.391 1.00 30.44 H new ATOM 0 HD13 LEU A 61 -0.570 11.854 -1.715 1.00 30.44 H new ATOM 0 HD21 LEU A 61 0.640 9.587 0.045 1.00 32.52 H new ATOM 0 HD22 LEU A 61 1.251 9.936 -1.589 1.00 32.52 H new ATOM 0 HD23 LEU A 61 2.366 9.943 -0.203 1.00 32.52 H new ATOM 936 N ALA A 62 4.992 11.476 -2.016 1.00 33.11 N ATOM 937 CA ALA A 62 5.883 10.397 -2.456 1.00 42.11 C ATOM 938 C ALA A 62 7.165 10.350 -1.617 1.00 72.13 C ATOM 939 O ALA A 62 7.658 9.277 -1.306 1.00 22.43 O ATOM 940 CB ALA A 62 6.210 10.591 -3.939 1.00 71.54 C ATOM 0 H ALA A 62 4.868 12.207 -2.717 1.00 33.11 H new ATOM 0 HA ALA A 62 5.375 9.443 -2.317 1.00 42.11 H new ATOM 0 HB1 ALA A 62 6.872 9.792 -4.273 1.00 71.54 H new ATOM 0 HB2 ALA A 62 5.289 10.566 -4.521 1.00 71.54 H new ATOM 0 HB3 ALA A 62 6.702 11.553 -4.080 1.00 71.54 H new ATOM 946 N THR A 63 7.685 11.541 -1.259 1.00 51.40 N ATOM 947 CA THR A 63 8.888 11.689 -0.414 1.00 42.43 C ATOM 948 C THR A 63 8.672 11.029 0.970 1.00 34.11 C ATOM 949 O THR A 63 9.556 10.344 1.490 1.00 41.22 O ATOM 950 CB THR A 63 9.266 13.205 -0.260 1.00 51.23 C ATOM 951 OG1 THR A 63 9.379 13.797 -1.562 1.00 2.45 O ATOM 952 CG2 THR A 63 10.592 13.427 0.496 1.00 61.44 C ATOM 0 H THR A 63 7.281 12.432 -1.549 1.00 51.40 H new ATOM 0 HA THR A 63 9.718 11.178 -0.903 1.00 42.43 H new ATOM 0 HB THR A 63 8.473 13.670 0.326 1.00 51.23 H new ATOM 0 HG1 THR A 63 8.494 13.838 -1.981 1.00 2.45 H new ATOM 0 HG21 THR A 63 10.795 14.495 0.568 1.00 61.44 H new ATOM 0 HG22 THR A 63 10.515 13.004 1.498 1.00 61.44 H new ATOM 0 HG23 THR A 63 11.404 12.939 -0.043 1.00 61.44 H new ATOM 960 N ARG A 64 7.459 11.201 1.524 1.00 32.53 N ATOM 961 CA ARG A 64 7.060 10.573 2.800 1.00 54.11 C ATOM 962 C ARG A 64 6.849 9.042 2.634 1.00 75.34 C ATOM 963 O ARG A 64 7.320 8.249 3.455 1.00 4.55 O ATOM 964 CB ARG A 64 5.754 11.229 3.316 1.00 3.03 C ATOM 965 CG ARG A 64 5.837 12.756 3.535 1.00 44.35 C ATOM 966 CD ARG A 64 4.535 13.345 4.098 1.00 12.02 C ATOM 967 NE ARG A 64 4.626 14.803 4.274 1.00 13.42 N ATOM 968 CZ ARG A 64 3.620 15.595 4.685 1.00 34.45 C ATOM 969 NH1 ARG A 64 2.428 15.081 4.982 1.00 52.03 N1+ ATOM 970 NH2 ARG A 64 3.814 16.906 4.780 1.00 4.03 N ATOM 0 H ARG A 64 6.729 11.776 1.104 1.00 32.53 H new ATOM 0 HA ARG A 64 7.862 10.728 3.522 1.00 54.11 H new ATOM 0 HB2 ARG A 64 4.954 11.021 2.605 1.00 3.03 H new ATOM 0 HB3 ARG A 64 5.474 10.756 4.257 1.00 3.03 H new ATOM 0 HG2 ARG A 64 6.657 12.977 4.219 1.00 44.35 H new ATOM 0 HG3 ARG A 64 6.072 13.243 2.588 1.00 44.35 H new ATOM 0 HD2 ARG A 64 3.710 13.111 3.426 1.00 12.02 H new ATOM 0 HD3 ARG A 64 4.309 12.877 5.056 1.00 12.02 H new ATOM 0 HE ARG A 64 5.521 15.247 4.068 1.00 13.42 H new ATOM 0 HH11 ARG A 64 2.271 14.077 4.899 1.00 52.03 H new ATOM 0 HH12 ARG A 64 1.672 15.692 5.293 1.00 52.03 H new ATOM 0 HH21 ARG A 64 4.722 17.306 4.542 1.00 4.03 H new ATOM 0 HH22 ARG A 64 3.055 17.513 5.091 1.00 4.03 H new ATOM 984 N LEU A 65 6.144 8.665 1.548 1.00 23.21 N ATOM 985 CA LEU A 65 5.693 7.276 1.264 1.00 72.34 C ATOM 986 C LEU A 65 6.890 6.324 1.043 1.00 54.43 C ATOM 987 O LEU A 65 6.878 5.173 1.527 1.00 25.32 O ATOM 988 CB LEU A 65 4.712 7.324 0.036 1.00 22.14 C ATOM 989 CG LEU A 65 4.083 5.985 -0.511 1.00 24.14 C ATOM 990 CD1 LEU A 65 5.009 5.268 -1.519 1.00 70.21 C ATOM 991 CD2 LEU A 65 3.637 5.040 0.631 1.00 24.43 C ATOM 0 H LEU A 65 5.863 9.327 0.825 1.00 23.21 H new ATOM 0 HA LEU A 65 5.161 6.868 2.123 1.00 72.34 H new ATOM 0 HB2 LEU A 65 3.888 7.986 0.302 1.00 22.14 H new ATOM 0 HB3 LEU A 65 5.246 7.795 -0.790 1.00 22.14 H new ATOM 0 HG LEU A 65 3.184 6.270 -1.058 1.00 24.14 H new ATOM 0 HD11 LEU A 65 4.530 4.352 -1.865 1.00 70.21 H new ATOM 0 HD12 LEU A 65 5.197 5.923 -2.370 1.00 70.21 H new ATOM 0 HD13 LEU A 65 5.954 5.022 -1.034 1.00 70.21 H new ATOM 0 HD21 LEU A 65 3.210 4.132 0.206 1.00 24.43 H new ATOM 0 HD22 LEU A 65 4.498 4.782 1.247 1.00 24.43 H new ATOM 0 HD23 LEU A 65 2.888 5.540 1.245 1.00 24.43 H new ATOM 1003 N THR A 66 7.914 6.817 0.323 1.00 13.30 N ATOM 1004 CA THR A 66 9.164 6.074 0.079 1.00 12.21 C ATOM 1005 C THR A 66 9.832 5.659 1.407 1.00 63.33 C ATOM 1006 O THR A 66 10.439 4.594 1.496 1.00 13.30 O ATOM 1007 CB THR A 66 10.161 6.926 -0.774 1.00 64.34 C ATOM 1008 OG1 THR A 66 10.317 8.221 -0.184 1.00 64.20 O ATOM 1009 CG2 THR A 66 9.699 7.084 -2.234 1.00 73.01 C ATOM 0 H THR A 66 7.898 7.742 -0.106 1.00 13.30 H new ATOM 0 HA THR A 66 8.907 5.172 -0.477 1.00 12.21 H new ATOM 0 HB THR A 66 11.113 6.395 -0.784 1.00 64.34 H new ATOM 0 HG1 THR A 66 9.561 8.790 -0.440 1.00 64.20 H new ATOM 0 HG21 THR A 66 10.426 7.683 -2.783 1.00 73.01 H new ATOM 0 HG22 THR A 66 9.615 6.101 -2.698 1.00 73.01 H new ATOM 0 HG23 THR A 66 8.729 7.580 -2.257 1.00 73.01 H new ATOM 1017 N GLY A 67 9.664 6.522 2.423 1.00 33.30 N ATOM 1018 CA GLY A 67 10.150 6.289 3.787 1.00 10.21 C ATOM 1019 C GLY A 67 9.687 4.960 4.394 1.00 3.13 C ATOM 1020 O GLY A 67 10.519 4.184 4.857 1.00 60.41 O ATOM 0 H GLY A 67 9.179 7.413 2.315 1.00 33.30 H new ATOM 0 HA2 GLY A 67 11.240 6.315 3.783 1.00 10.21 H new ATOM 0 HA3 GLY A 67 9.814 7.105 4.426 1.00 10.21 H new ATOM 1024 N GLN A 68 8.363 4.687 4.354 1.00 64.34 N ATOM 1025 CA GLN A 68 7.776 3.419 4.878 1.00 53.45 C ATOM 1026 C GLN A 68 8.362 2.191 4.161 1.00 62.14 C ATOM 1027 O GLN A 68 8.582 1.135 4.775 1.00 45.22 O ATOM 1028 CB GLN A 68 6.219 3.404 4.748 1.00 60.11 C ATOM 1029 CG GLN A 68 5.456 4.106 5.888 1.00 51.01 C ATOM 1030 CD GLN A 68 5.700 5.605 5.965 1.00 4.24 C ATOM 1031 OE1 GLN A 68 5.897 6.266 4.945 1.00 22.22 O ATOM 1032 NE2 GLN A 68 5.697 6.150 7.171 1.00 65.31 N ATOM 0 H GLN A 68 7.672 5.328 3.963 1.00 64.34 H new ATOM 0 HA GLN A 68 8.037 3.370 5.935 1.00 53.45 H new ATOM 0 HB2 GLN A 68 5.945 3.877 3.805 1.00 60.11 H new ATOM 0 HB3 GLN A 68 5.885 2.368 4.694 1.00 60.11 H new ATOM 0 HG2 GLN A 68 4.388 3.928 5.760 1.00 51.01 H new ATOM 0 HG3 GLN A 68 5.743 3.652 6.837 1.00 51.01 H new ATOM 0 HE21 GLN A 68 5.530 5.569 7.993 1.00 65.31 H new ATOM 0 HE22 GLN A 68 5.862 7.151 7.279 1.00 65.31 H new ATOM 1041 N LEU A 69 8.605 2.347 2.853 1.00 1.33 N ATOM 1042 CA LEU A 69 9.183 1.290 2.012 1.00 1.03 C ATOM 1043 C LEU A 69 10.662 1.041 2.377 1.00 4.23 C ATOM 1044 O LEU A 69 11.109 -0.105 2.353 1.00 74.44 O ATOM 1045 CB LEU A 69 9.000 1.672 0.526 1.00 24.03 C ATOM 1046 CG LEU A 69 7.515 1.684 0.020 1.00 51.33 C ATOM 1047 CD1 LEU A 69 7.357 2.550 -1.237 1.00 34.13 C ATOM 1048 CD2 LEU A 69 6.999 0.245 -0.230 1.00 45.31 C ATOM 0 H LEU A 69 8.406 3.210 2.347 1.00 1.33 H new ATOM 0 HA LEU A 69 8.662 0.349 2.190 1.00 1.03 H new ATOM 0 HB2 LEU A 69 9.430 2.661 0.365 1.00 24.03 H new ATOM 0 HB3 LEU A 69 9.570 0.973 -0.086 1.00 24.03 H new ATOM 0 HG LEU A 69 6.905 2.129 0.806 1.00 51.33 H new ATOM 0 HD11 LEU A 69 6.316 2.536 -1.560 1.00 34.13 H new ATOM 0 HD12 LEU A 69 7.653 3.575 -1.013 1.00 34.13 H new ATOM 0 HD13 LEU A 69 7.989 2.156 -2.032 1.00 34.13 H new ATOM 0 HD21 LEU A 69 5.967 0.284 -0.580 1.00 45.31 H new ATOM 0 HD22 LEU A 69 7.620 -0.238 -0.984 1.00 45.31 H new ATOM 0 HD23 LEU A 69 7.046 -0.325 0.698 1.00 45.31 H new ATOM 1060 N HIS A 70 11.395 2.113 2.758 1.00 74.05 N ATOM 1061 CA HIS A 70 12.801 2.007 3.249 1.00 35.14 C ATOM 1062 C HIS A 70 12.855 1.123 4.495 1.00 54.13 C ATOM 1063 O HIS A 70 13.689 0.226 4.619 1.00 71.21 O ATOM 1064 CB HIS A 70 13.396 3.402 3.606 1.00 55.13 C ATOM 1065 CG HIS A 70 13.505 4.368 2.462 1.00 1.41 C ATOM 1066 ND1 HIS A 70 13.745 5.715 2.630 1.00 15.33 N ATOM 1067 CD2 HIS A 70 13.422 4.173 1.132 1.00 4.13 C ATOM 1068 CE1 HIS A 70 13.808 6.299 1.453 1.00 34.32 C ATOM 1069 NE2 HIS A 70 13.619 5.385 0.524 1.00 61.42 N ATOM 0 H HIS A 70 11.039 3.069 2.737 1.00 74.05 H new ATOM 0 HA HIS A 70 13.391 1.570 2.444 1.00 35.14 H new ATOM 0 HB2 HIS A 70 12.779 3.853 4.383 1.00 55.13 H new ATOM 0 HB3 HIS A 70 14.389 3.256 4.032 1.00 55.13 H new ATOM 0 HD2 HIS A 70 13.234 3.233 0.635 1.00 4.13 H new ATOM 0 HE1 HIS A 70 13.985 7.350 1.278 1.00 34.32 H new ATOM 0 HE2 HIS A 70 13.619 5.552 -0.482 1.00 61.42 H new ATOM 1078 N GLN A 71 11.909 1.388 5.388 1.00 51.42 N ATOM 1079 CA GLN A 71 11.769 0.687 6.664 1.00 45.22 C ATOM 1080 C GLN A 71 11.320 -0.772 6.434 1.00 10.23 C ATOM 1081 O GLN A 71 11.658 -1.659 7.217 1.00 1.43 O ATOM 1082 CB GLN A 71 10.759 1.476 7.532 1.00 34.14 C ATOM 1083 CG GLN A 71 11.129 2.974 7.695 1.00 42.30 C ATOM 1084 CD GLN A 71 12.355 3.234 8.578 1.00 63.32 C ATOM 1085 OE1 GLN A 71 12.642 2.489 9.518 1.00 55.01 O ATOM 1086 NE2 GLN A 71 13.074 4.308 8.296 1.00 73.24 N ATOM 0 H GLN A 71 11.203 2.110 5.245 1.00 51.42 H new ATOM 0 HA GLN A 71 12.726 0.637 7.184 1.00 45.22 H new ATOM 0 HB2 GLN A 71 9.768 1.400 7.084 1.00 34.14 H new ATOM 0 HB3 GLN A 71 10.699 1.014 8.518 1.00 34.14 H new ATOM 0 HG2 GLN A 71 11.311 3.400 6.708 1.00 42.30 H new ATOM 0 HG3 GLN A 71 10.274 3.502 8.117 1.00 42.30 H new ATOM 0 HE21 GLN A 71 12.812 4.906 7.512 1.00 73.24 H new ATOM 0 HE22 GLN A 71 13.890 4.538 8.863 1.00 73.24 H new ATOM 1095 N ALA A 72 10.575 -1.000 5.327 1.00 23.20 N ATOM 1096 CA ALA A 72 10.162 -2.352 4.874 1.00 10.14 C ATOM 1097 C ALA A 72 11.348 -3.151 4.289 1.00 11.15 C ATOM 1098 O ALA A 72 11.246 -4.367 4.095 1.00 32.53 O ATOM 1099 CB ALA A 72 9.032 -2.240 3.837 1.00 20.04 C ATOM 0 H ALA A 72 10.242 -0.251 4.720 1.00 23.20 H new ATOM 0 HA ALA A 72 9.799 -2.896 5.746 1.00 10.14 H new ATOM 0 HB1 ALA A 72 8.737 -3.237 3.511 1.00 20.04 H new ATOM 0 HB2 ALA A 72 8.176 -1.736 4.285 1.00 20.04 H new ATOM 0 HB3 ALA A 72 9.382 -1.667 2.978 1.00 20.04 H new ATOM 1105 N GLY A 73 12.461 -2.450 3.999 1.00 2.24 N ATOM 1106 CA GLY A 73 13.669 -3.063 3.436 1.00 61.24 C ATOM 1107 C GLY A 73 13.661 -3.073 1.917 1.00 11.31 C ATOM 1108 O GLY A 73 14.237 -3.962 1.291 1.00 43.42 O ATOM 0 H GLY A 73 12.543 -1.445 4.150 1.00 2.24 H new ATOM 0 HA2 GLY A 73 14.546 -2.520 3.788 1.00 61.24 H new ATOM 0 HA3 GLY A 73 13.759 -4.086 3.803 1.00 61.24 H new ATOM 1112 N TYR A 74 12.939 -2.104 1.326 1.00 21.33 N ATOM 1113 CA TYR A 74 12.882 -1.884 -0.134 1.00 62.10 C ATOM 1114 C TYR A 74 13.313 -0.450 -0.456 1.00 51.04 C ATOM 1115 O TYR A 74 12.824 0.511 0.155 1.00 43.51 O ATOM 1116 CB TYR A 74 11.453 -2.176 -0.669 1.00 12.33 C ATOM 1117 CG TYR A 74 11.002 -3.599 -0.336 1.00 53.31 C ATOM 1118 CD1 TYR A 74 11.638 -4.703 -0.913 1.00 12.54 C ATOM 1119 CD2 TYR A 74 9.997 -3.843 0.604 1.00 53.10 C ATOM 1120 CE1 TYR A 74 11.292 -5.990 -0.558 1.00 52.55 C ATOM 1121 CE2 TYR A 74 9.640 -5.130 0.948 1.00 32.41 C ATOM 1122 CZ TYR A 74 10.293 -6.197 0.370 1.00 71.23 C ATOM 1123 OH TYR A 74 9.968 -7.482 0.745 1.00 34.40 O ATOM 0 H TYR A 74 12.371 -1.442 1.854 1.00 21.33 H new ATOM 0 HA TYR A 74 13.569 -2.570 -0.630 1.00 62.10 H new ATOM 0 HB2 TYR A 74 10.751 -1.462 -0.239 1.00 12.33 H new ATOM 0 HB3 TYR A 74 11.433 -2.032 -1.749 1.00 12.33 H new ATOM 0 HD1 TYR A 74 12.413 -4.545 -1.649 1.00 12.54 H new ATOM 0 HD2 TYR A 74 9.491 -3.010 1.069 1.00 53.10 H new ATOM 0 HE1 TYR A 74 11.801 -6.832 -1.004 1.00 52.55 H new ATOM 0 HE2 TYR A 74 8.852 -5.301 1.667 1.00 32.41 H new ATOM 0 HH TYR A 74 9.246 -7.457 1.407 1.00 34.40 H new ATOM 1133 N GLU A 75 14.242 -0.310 -1.402 1.00 30.25 N ATOM 1134 CA GLU A 75 14.700 0.998 -1.866 1.00 41.40 C ATOM 1135 C GLU A 75 13.640 1.625 -2.784 1.00 12.03 C ATOM 1136 O GLU A 75 13.310 1.089 -3.851 1.00 11.22 O ATOM 1137 CB GLU A 75 16.096 0.882 -2.533 1.00 4.53 C ATOM 1138 CG GLU A 75 16.250 -0.260 -3.563 1.00 64.50 C ATOM 1139 CD GLU A 75 17.716 -0.670 -3.764 1.00 52.24 C ATOM 1140 OE1 GLU A 75 18.360 -0.199 -4.729 1.00 24.20 O ATOM 1141 OE2 GLU A 75 18.243 -1.439 -2.923 1.00 40.51 O1- ATOM 0 H GLU A 75 14.696 -1.097 -1.866 1.00 30.25 H new ATOM 0 HA GLU A 75 14.824 1.670 -1.017 1.00 41.40 H new ATOM 0 HB2 GLU A 75 16.322 1.827 -3.028 1.00 4.53 H new ATOM 0 HB3 GLU A 75 16.843 0.745 -1.751 1.00 4.53 H new ATOM 0 HG2 GLU A 75 15.675 -1.125 -3.232 1.00 64.50 H new ATOM 0 HG3 GLU A 75 15.829 0.056 -4.518 1.00 64.50 H new ATOM 1148 N ALA A 76 13.065 2.724 -2.293 1.00 70.33 N ATOM 1149 CA ALA A 76 12.020 3.478 -2.974 1.00 75.30 C ATOM 1150 C ALA A 76 12.503 4.907 -3.183 1.00 43.33 C ATOM 1151 O ALA A 76 12.941 5.561 -2.235 1.00 71.03 O ATOM 1152 CB ALA A 76 10.736 3.438 -2.146 1.00 20.55 C ATOM 0 H ALA A 76 13.322 3.121 -1.389 1.00 70.33 H new ATOM 0 HA ALA A 76 11.803 3.037 -3.947 1.00 75.30 H new ATOM 0 HB1 ALA A 76 9.956 4.002 -2.657 1.00 20.55 H new ATOM 0 HB2 ALA A 76 10.414 2.404 -2.023 1.00 20.55 H new ATOM 0 HB3 ALA A 76 10.921 3.879 -1.167 1.00 20.55 H new ATOM 1158 N GLN A 77 12.449 5.367 -4.431 1.00 34.23 N ATOM 1159 CA GLN A 77 12.867 6.729 -4.815 1.00 51.31 C ATOM 1160 C GLN A 77 11.721 7.440 -5.529 1.00 12.24 C ATOM 1161 O GLN A 77 10.773 6.791 -6.008 1.00 53.11 O ATOM 1162 CB GLN A 77 14.125 6.678 -5.728 1.00 13.23 C ATOM 1163 CG GLN A 77 15.386 6.081 -5.062 1.00 44.22 C ATOM 1164 CD GLN A 77 15.876 6.882 -3.849 1.00 14.22 C ATOM 1165 OE1 GLN A 77 15.719 8.102 -3.779 1.00 54.35 O ATOM 1166 NE2 GLN A 77 16.472 6.210 -2.883 1.00 65.53 N ATOM 0 H GLN A 77 12.113 4.808 -5.215 1.00 34.23 H new ATOM 0 HA GLN A 77 13.123 7.285 -3.913 1.00 51.31 H new ATOM 0 HB2 GLN A 77 13.888 6.092 -6.616 1.00 13.23 H new ATOM 0 HB3 GLN A 77 14.353 7.689 -6.065 1.00 13.23 H new ATOM 0 HG2 GLN A 77 15.173 5.059 -4.750 1.00 44.22 H new ATOM 0 HG3 GLN A 77 16.186 6.029 -5.800 1.00 44.22 H new ATOM 0 HE21 GLN A 77 16.591 5.200 -2.963 1.00 65.53 H new ATOM 0 HE22 GLN A 77 16.814 6.700 -2.056 1.00 65.53 H new ATOM 1175 N LEU A 78 11.824 8.778 -5.595 1.00 44.24 N ATOM 1176 CA LEU A 78 10.874 9.619 -6.339 1.00 21.22 C ATOM 1177 C LEU A 78 10.889 9.199 -7.820 1.00 43.43 C ATOM 1178 O LEU A 78 9.840 9.011 -8.432 1.00 41.43 O ATOM 1179 CB LEU A 78 11.225 11.138 -6.194 1.00 14.23 C ATOM 1180 CG LEU A 78 11.057 11.784 -4.771 1.00 15.05 C ATOM 1181 CD1 LEU A 78 9.647 11.541 -4.214 1.00 34.43 C ATOM 1182 CD2 LEU A 78 12.156 11.337 -3.768 1.00 45.24 C ATOM 0 H LEU A 78 12.566 9.305 -5.135 1.00 44.24 H new ATOM 0 HA LEU A 78 9.875 9.477 -5.926 1.00 21.22 H new ATOM 0 HB2 LEU A 78 12.260 11.276 -6.507 1.00 14.23 H new ATOM 0 HB3 LEU A 78 10.603 11.696 -6.893 1.00 14.23 H new ATOM 0 HG LEU A 78 11.187 12.858 -4.900 1.00 15.05 H new ATOM 0 HD11 LEU A 78 9.561 11.999 -3.229 1.00 34.43 H new ATOM 0 HD12 LEU A 78 8.910 11.982 -4.885 1.00 34.43 H new ATOM 0 HD13 LEU A 78 9.468 10.469 -4.132 1.00 34.43 H new ATOM 0 HD21 LEU A 78 11.986 11.817 -2.804 1.00 45.24 H new ATOM 0 HD22 LEU A 78 12.119 10.254 -3.646 1.00 45.24 H new ATOM 0 HD23 LEU A 78 13.136 11.626 -4.149 1.00 45.24 H new ATOM 1194 N SER A 79 12.113 8.993 -8.346 1.00 25.13 N ATOM 1195 CA SER A 79 12.358 8.564 -9.732 1.00 0.45 C ATOM 1196 C SER A 79 11.638 7.241 -10.078 1.00 13.22 C ATOM 1197 O SER A 79 11.128 7.092 -11.181 1.00 11.33 O ATOM 1198 CB SER A 79 13.878 8.429 -9.968 1.00 20.11 C ATOM 1199 OG SER A 79 14.558 9.655 -9.710 1.00 63.51 O ATOM 0 H SER A 79 12.970 9.123 -7.809 1.00 25.13 H new ATOM 0 HA SER A 79 11.946 9.327 -10.393 1.00 0.45 H new ATOM 0 HB2 SER A 79 14.279 7.647 -9.324 1.00 20.11 H new ATOM 0 HB3 SER A 79 14.061 8.120 -10.997 1.00 20.11 H new ATOM 0 HG SER A 79 15.518 9.536 -9.867 1.00 63.51 H new ATOM 1205 N ASP A 80 11.587 6.306 -9.111 1.00 1.33 N ATOM 1206 CA ASP A 80 10.909 5.002 -9.292 1.00 30.24 C ATOM 1207 C ASP A 80 9.376 5.155 -9.334 1.00 73.44 C ATOM 1208 O ASP A 80 8.706 4.377 -9.990 1.00 53.41 O ATOM 1209 CB ASP A 80 11.306 4.005 -8.172 1.00 53.05 C ATOM 1210 CG ASP A 80 12.747 3.478 -8.292 1.00 53.20 C ATOM 1211 OD1 ASP A 80 12.952 2.392 -8.873 1.00 52.33 O ATOM 1212 OD2 ASP A 80 13.676 4.154 -7.820 1.00 10.01 O1- ATOM 0 H ASP A 80 12.009 6.428 -8.190 1.00 1.33 H new ATOM 0 HA ASP A 80 11.239 4.606 -10.252 1.00 30.24 H new ATOM 0 HB2 ASP A 80 11.187 4.493 -7.205 1.00 53.05 H new ATOM 0 HB3 ASP A 80 10.617 3.160 -8.190 1.00 53.05 H new ATOM 1217 N LEU A 81 8.834 6.144 -8.607 1.00 74.15 N ATOM 1218 CA LEU A 81 7.374 6.419 -8.584 1.00 5.11 C ATOM 1219 C LEU A 81 6.924 7.168 -9.859 1.00 21.15 C ATOM 1220 O LEU A 81 5.818 6.932 -10.359 1.00 13.13 O ATOM 1221 CB LEU A 81 6.993 7.190 -7.282 1.00 54.12 C ATOM 1222 CG LEU A 81 6.970 6.319 -5.980 1.00 51.30 C ATOM 1223 CD1 LEU A 81 6.915 7.191 -4.713 1.00 0.24 C ATOM 1224 CD2 LEU A 81 5.787 5.322 -6.004 1.00 3.20 C ATOM 0 H LEU A 81 9.382 6.774 -8.021 1.00 74.15 H new ATOM 0 HA LEU A 81 6.839 5.469 -8.577 1.00 5.11 H new ATOM 0 HB2 LEU A 81 7.700 8.008 -7.142 1.00 54.12 H new ATOM 0 HB3 LEU A 81 6.009 7.639 -7.418 1.00 54.12 H new ATOM 0 HG LEU A 81 7.901 5.752 -5.952 1.00 51.30 H new ATOM 0 HD11 LEU A 81 6.900 6.551 -3.831 1.00 0.24 H new ATOM 0 HD12 LEU A 81 7.792 7.837 -4.678 1.00 0.24 H new ATOM 0 HD13 LEU A 81 6.014 7.803 -4.732 1.00 0.24 H new ATOM 0 HD21 LEU A 81 5.793 4.729 -5.090 1.00 3.20 H new ATOM 0 HD22 LEU A 81 4.849 5.872 -6.074 1.00 3.20 H new ATOM 0 HD23 LEU A 81 5.885 4.662 -6.866 1.00 3.20 H new ATOM 1236 N PHE A 82 7.784 8.059 -10.388 1.00 24.12 N ATOM 1237 CA PHE A 82 7.518 8.765 -11.666 1.00 60.00 C ATOM 1238 C PHE A 82 7.734 7.820 -12.873 1.00 71.45 C ATOM 1239 O PHE A 82 7.080 7.967 -13.907 1.00 4.01 O ATOM 1240 CB PHE A 82 8.409 10.035 -11.806 1.00 43.43 C ATOM 1241 CG PHE A 82 8.025 11.201 -10.882 1.00 12.01 C ATOM 1242 CD1 PHE A 82 8.775 11.515 -9.747 1.00 13.30 C ATOM 1243 CD2 PHE A 82 6.911 11.990 -11.164 1.00 61.11 C ATOM 1244 CE1 PHE A 82 8.424 12.573 -8.928 1.00 43.04 C ATOM 1245 CE2 PHE A 82 6.560 13.049 -10.345 1.00 71.25 C ATOM 1246 CZ PHE A 82 7.317 13.338 -9.229 1.00 71.24 C ATOM 0 H PHE A 82 8.672 8.311 -9.953 1.00 24.12 H new ATOM 0 HA PHE A 82 6.475 9.082 -11.656 1.00 60.00 H new ATOM 0 HB2 PHE A 82 9.444 9.758 -11.606 1.00 43.43 H new ATOM 0 HB3 PHE A 82 8.365 10.380 -12.839 1.00 43.43 H new ATOM 0 HD1 PHE A 82 9.644 10.922 -9.504 1.00 13.30 H new ATOM 0 HD2 PHE A 82 6.312 11.771 -12.036 1.00 61.11 H new ATOM 0 HE1 PHE A 82 9.016 12.800 -8.054 1.00 43.04 H new ATOM 0 HE2 PHE A 82 5.693 13.649 -10.580 1.00 71.25 H new ATOM 0 HZ PHE A 82 7.042 14.164 -8.590 1.00 71.24 H new ATOM 1256 N ASN A 83 8.664 6.859 -12.728 1.00 71.43 N ATOM 1257 CA ASN A 83 8.971 5.853 -13.777 1.00 50.35 C ATOM 1258 C ASN A 83 7.950 4.698 -13.735 1.00 43.32 C ATOM 1259 O ASN A 83 7.599 4.133 -14.768 1.00 2.43 O ATOM 1260 CB ASN A 83 10.421 5.312 -13.567 1.00 25.24 C ATOM 1261 CG ASN A 83 10.922 4.330 -14.644 1.00 54.41 C ATOM 1262 OD1 ASN A 83 10.507 4.374 -15.800 1.00 3.24 O ATOM 1263 ND2 ASN A 83 11.857 3.461 -14.272 1.00 11.23 N ATOM 0 H ASN A 83 9.227 6.753 -11.884 1.00 71.43 H new ATOM 0 HA ASN A 83 8.904 6.325 -14.757 1.00 50.35 H new ATOM 0 HB2 ASN A 83 11.105 6.160 -13.526 1.00 25.24 H new ATOM 0 HB3 ASN A 83 10.469 4.817 -12.597 1.00 25.24 H new ATOM 0 HD21 ASN A 83 12.248 2.810 -14.953 1.00 11.23 H new ATOM 0 HD22 ASN A 83 12.184 3.446 -13.306 1.00 11.23 H new ATOM 1270 N HIS A 84 7.466 4.377 -12.525 1.00 15.15 N ATOM 1271 CA HIS A 84 6.501 3.285 -12.283 1.00 42.10 C ATOM 1272 C HIS A 84 5.325 3.845 -11.454 1.00 13.12 C ATOM 1273 O HIS A 84 5.369 3.809 -10.214 1.00 54.15 O ATOM 1274 CB HIS A 84 7.164 2.099 -11.521 1.00 72.20 C ATOM 1275 CG HIS A 84 8.364 1.483 -12.193 1.00 43.14 C ATOM 1276 ND1 HIS A 84 8.324 0.277 -12.855 1.00 55.03 N ATOM 1277 CD2 HIS A 84 9.648 1.905 -12.291 1.00 43.43 C ATOM 1278 CE1 HIS A 84 9.514 -0.006 -13.333 1.00 31.22 C ATOM 1279 NE2 HIS A 84 10.337 0.962 -13.009 1.00 32.13 N ATOM 0 H HIS A 84 7.735 4.872 -11.675 1.00 15.15 H new ATOM 0 HA HIS A 84 6.148 2.906 -13.242 1.00 42.10 H new ATOM 0 HB2 HIS A 84 7.463 2.447 -10.532 1.00 72.20 H new ATOM 0 HB3 HIS A 84 6.414 1.322 -11.372 1.00 72.20 H new ATOM 0 HD2 HIS A 84 10.054 2.817 -11.879 1.00 43.43 H new ATOM 0 HE1 HIS A 84 9.772 -0.889 -13.899 1.00 31.22 H new ATOM 0 HE2 HIS A 84 11.327 1.006 -13.251 1.00 32.13 H new ATOM 1288 N PRO A 85 4.287 4.442 -12.114 1.00 12.11 N ATOM 1289 CA PRO A 85 3.110 4.993 -11.405 1.00 14.33 C ATOM 1290 C PRO A 85 2.183 3.873 -10.876 1.00 63.32 C ATOM 1291 O PRO A 85 1.630 3.986 -9.782 1.00 54.33 O ATOM 1292 CB PRO A 85 2.413 5.877 -12.486 1.00 72.15 C ATOM 1293 CG PRO A 85 3.361 5.915 -13.659 1.00 11.34 C ATOM 1294 CD PRO A 85 4.165 4.643 -13.579 1.00 63.43 C ATOM 0 HA PRO A 85 3.379 5.561 -10.515 1.00 14.33 H new ATOM 0 HB2 PRO A 85 1.450 5.455 -12.775 1.00 72.15 H new ATOM 0 HB3 PRO A 85 2.220 6.880 -12.106 1.00 72.15 H new ATOM 0 HG2 PRO A 85 2.815 5.974 -14.601 1.00 11.34 H new ATOM 0 HG3 PRO A 85 4.008 6.790 -13.610 1.00 11.34 H new ATOM 0 HD2 PRO A 85 3.657 3.809 -14.064 1.00 63.43 H new ATOM 0 HD3 PRO A 85 5.138 4.746 -14.059 1.00 63.43 H new ATOM 1302 N ARG A 86 2.017 2.808 -11.687 1.00 35.33 N ATOM 1303 CA ARG A 86 1.209 1.621 -11.352 1.00 52.33 C ATOM 1304 C ARG A 86 1.748 0.914 -10.076 1.00 60.22 C ATOM 1305 O ARG A 86 2.965 0.853 -9.870 1.00 45.42 O ATOM 1306 CB ARG A 86 1.229 0.631 -12.565 1.00 5.20 C ATOM 1307 CG ARG A 86 -0.119 -0.036 -12.892 1.00 44.40 C ATOM 1308 CD ARG A 86 -1.006 0.829 -13.811 1.00 74.33 C ATOM 1309 NE ARG A 86 -0.601 0.700 -15.220 1.00 11.24 N ATOM 1310 CZ ARG A 86 -0.475 1.701 -16.105 1.00 15.32 C ATOM 1311 NH1 ARG A 86 -0.719 2.961 -15.762 1.00 11.03 N1+ ATOM 1312 NH2 ARG A 86 -0.133 1.421 -17.357 1.00 51.52 N ATOM 0 H ARG A 86 2.449 2.749 -12.609 1.00 35.33 H new ATOM 0 HA ARG A 86 0.187 1.939 -11.148 1.00 52.33 H new ATOM 0 HB2 ARG A 86 1.572 1.171 -13.448 1.00 5.20 H new ATOM 0 HB3 ARG A 86 1.963 -0.150 -12.364 1.00 5.20 H new ATOM 0 HG2 ARG A 86 0.063 -0.998 -13.371 1.00 44.40 H new ATOM 0 HG3 ARG A 86 -0.654 -0.238 -11.964 1.00 44.40 H new ATOM 0 HD2 ARG A 86 -2.048 0.530 -13.701 1.00 74.33 H new ATOM 0 HD3 ARG A 86 -0.940 1.873 -13.506 1.00 74.33 H new ATOM 0 HE ARG A 86 -0.396 -0.241 -15.556 1.00 11.24 H new ATOM 0 HH11 ARG A 86 -1.008 3.183 -14.810 1.00 11.03 H new ATOM 0 HH12 ARG A 86 -0.617 3.706 -16.451 1.00 11.03 H new ATOM 0 HH21 ARG A 86 0.031 0.454 -17.637 1.00 51.52 H new ATOM 0 HH22 ARG A 86 -0.034 2.173 -18.039 1.00 51.52 H new ATOM 1326 N LEU A 87 0.833 0.354 -9.260 1.00 52.23 N ATOM 1327 CA LEU A 87 1.182 -0.321 -7.991 1.00 35.35 C ATOM 1328 C LEU A 87 2.058 -1.554 -8.258 1.00 4.43 C ATOM 1329 O LEU A 87 3.179 -1.639 -7.755 1.00 70.10 O ATOM 1330 CB LEU A 87 -0.123 -0.692 -7.220 1.00 71.12 C ATOM 1331 CG LEU A 87 0.001 -1.130 -5.709 1.00 12.14 C ATOM 1332 CD1 LEU A 87 -1.373 -1.097 -5.025 1.00 51.01 C ATOM 1333 CD2 LEU A 87 0.630 -2.530 -5.520 1.00 40.12 C ATOM 0 H LEU A 87 -0.167 0.356 -9.460 1.00 52.23 H new ATOM 0 HA LEU A 87 1.764 0.357 -7.367 1.00 35.35 H new ATOM 0 HB2 LEU A 87 -0.791 0.168 -7.263 1.00 71.12 H new ATOM 0 HB3 LEU A 87 -0.611 -1.502 -7.762 1.00 71.12 H new ATOM 0 HG LEU A 87 0.675 -0.409 -5.246 1.00 12.14 H new ATOM 0 HD11 LEU A 87 -1.269 -1.402 -3.984 1.00 51.01 H new ATOM 0 HD12 LEU A 87 -1.777 -0.085 -5.068 1.00 51.01 H new ATOM 0 HD13 LEU A 87 -2.051 -1.780 -5.537 1.00 51.01 H new ATOM 0 HD21 LEU A 87 0.684 -2.764 -4.457 1.00 40.12 H new ATOM 0 HD22 LEU A 87 0.016 -3.276 -6.025 1.00 40.12 H new ATOM 0 HD23 LEU A 87 1.634 -2.538 -5.944 1.00 40.12 H new ATOM 1345 N ALA A 88 1.528 -2.495 -9.060 1.00 11.20 N ATOM 1346 CA ALA A 88 2.198 -3.778 -9.362 1.00 54.51 C ATOM 1347 C ALA A 88 3.529 -3.563 -10.113 1.00 72.31 C ATOM 1348 O ALA A 88 4.489 -4.315 -9.927 1.00 71.01 O ATOM 1349 CB ALA A 88 1.255 -4.677 -10.179 1.00 4.35 C ATOM 0 H ALA A 88 0.623 -2.390 -9.518 1.00 11.20 H new ATOM 0 HA ALA A 88 2.435 -4.268 -8.418 1.00 54.51 H new ATOM 0 HB1 ALA A 88 1.753 -5.621 -10.399 1.00 4.35 H new ATOM 0 HB2 ALA A 88 0.348 -4.870 -9.605 1.00 4.35 H new ATOM 0 HB3 ALA A 88 0.994 -4.178 -11.112 1.00 4.35 H new ATOM 1355 N ASP A 89 3.563 -2.507 -10.939 1.00 21.05 N ATOM 1356 CA ASP A 89 4.735 -2.148 -11.767 1.00 73.42 C ATOM 1357 C ASP A 89 5.867 -1.567 -10.895 1.00 74.44 C ATOM 1358 O ASP A 89 7.055 -1.773 -11.170 1.00 30.21 O ATOM 1359 CB ASP A 89 4.282 -1.141 -12.850 1.00 52.41 C ATOM 1360 CG ASP A 89 5.349 -0.792 -13.900 1.00 34.03 C ATOM 1361 OD1 ASP A 89 5.695 0.397 -14.054 1.00 34.35 O ATOM 1362 OD2 ASP A 89 5.844 -1.714 -14.583 1.00 52.34 O1- ATOM 0 H ASP A 89 2.775 -1.870 -11.056 1.00 21.05 H new ATOM 0 HA ASP A 89 5.134 -3.040 -12.250 1.00 73.42 H new ATOM 0 HB2 ASP A 89 3.410 -1.549 -13.362 1.00 52.41 H new ATOM 0 HB3 ASP A 89 3.963 -0.222 -12.359 1.00 52.41 H new ATOM 1367 N PHE A 90 5.473 -0.834 -9.840 1.00 40.31 N ATOM 1368 CA PHE A 90 6.402 -0.283 -8.835 1.00 64.41 C ATOM 1369 C PHE A 90 6.883 -1.392 -7.878 1.00 55.44 C ATOM 1370 O PHE A 90 8.047 -1.415 -7.466 1.00 71.35 O ATOM 1371 CB PHE A 90 5.714 0.873 -8.062 1.00 13.53 C ATOM 1372 CG PHE A 90 6.575 1.492 -6.967 1.00 70.33 C ATOM 1373 CD1 PHE A 90 6.292 1.268 -5.619 1.00 34.25 C ATOM 1374 CD2 PHE A 90 7.690 2.270 -7.287 1.00 61.20 C ATOM 1375 CE1 PHE A 90 7.090 1.799 -4.633 1.00 71.14 C ATOM 1376 CE2 PHE A 90 8.486 2.806 -6.288 1.00 55.13 C ATOM 1377 CZ PHE A 90 8.187 2.569 -4.966 1.00 2.52 C ATOM 0 H PHE A 90 4.496 -0.605 -9.658 1.00 40.31 H new ATOM 0 HA PHE A 90 7.281 0.118 -9.340 1.00 64.41 H new ATOM 0 HB2 PHE A 90 5.432 1.652 -8.771 1.00 13.53 H new ATOM 0 HB3 PHE A 90 4.792 0.499 -7.616 1.00 13.53 H new ATOM 0 HD1 PHE A 90 5.435 0.670 -5.347 1.00 34.25 H new ATOM 0 HD2 PHE A 90 7.934 2.455 -8.323 1.00 61.20 H new ATOM 0 HE1 PHE A 90 6.858 1.613 -3.595 1.00 71.14 H new ATOM 0 HE2 PHE A 90 9.342 3.411 -6.547 1.00 55.13 H new ATOM 0 HZ PHE A 90 8.810 2.985 -4.189 1.00 2.52 H new ATOM 1387 N ALA A 91 5.975 -2.317 -7.550 1.00 44.42 N ATOM 1388 CA ALA A 91 6.272 -3.486 -6.708 1.00 12.33 C ATOM 1389 C ALA A 91 7.264 -4.428 -7.427 1.00 0.10 C ATOM 1390 O ALA A 91 8.060 -5.125 -6.785 1.00 73.13 O ATOM 1391 CB ALA A 91 4.963 -4.209 -6.354 1.00 43.22 C ATOM 0 H ALA A 91 5.005 -2.277 -7.863 1.00 44.42 H new ATOM 0 HA ALA A 91 6.744 -3.159 -5.782 1.00 12.33 H new ATOM 0 HB1 ALA A 91 5.183 -5.075 -5.730 1.00 43.22 H new ATOM 0 HB2 ALA A 91 4.307 -3.528 -5.812 1.00 43.22 H new ATOM 0 HB3 ALA A 91 4.469 -4.537 -7.269 1.00 43.22 H new ATOM 1397 N ALA A 92 7.212 -4.399 -8.772 1.00 44.44 N ATOM 1398 CA ALA A 92 8.125 -5.160 -9.641 1.00 0.22 C ATOM 1399 C ALA A 92 9.562 -4.595 -9.609 1.00 24.23 C ATOM 1400 O ALA A 92 10.529 -5.356 -9.712 1.00 22.24 O ATOM 1401 CB ALA A 92 7.587 -5.165 -11.083 1.00 12.21 C ATOM 0 H ALA A 92 6.530 -3.843 -9.288 1.00 44.44 H new ATOM 0 HA ALA A 92 8.171 -6.181 -9.262 1.00 0.22 H new ATOM 0 HB1 ALA A 92 8.266 -5.729 -11.723 1.00 12.21 H new ATOM 0 HB2 ALA A 92 6.601 -5.629 -11.102 1.00 12.21 H new ATOM 0 HB3 ALA A 92 7.513 -4.140 -11.447 1.00 12.21 H new ATOM 1407 N THR A 93 9.698 -3.257 -9.466 1.00 0.21 N ATOM 1408 CA THR A 93 11.015 -2.577 -9.551 1.00 51.10 C ATOM 1409 C THR A 93 11.730 -2.512 -8.182 1.00 21.53 C ATOM 1410 O THR A 93 12.902 -2.134 -8.126 1.00 35.52 O ATOM 1411 CB THR A 93 10.901 -1.133 -10.176 1.00 63.43 C ATOM 1412 OG1 THR A 93 12.186 -0.687 -10.663 1.00 62.22 O ATOM 1413 CG2 THR A 93 10.360 -0.076 -9.194 1.00 1.34 C ATOM 0 H THR A 93 8.915 -2.626 -9.292 1.00 0.21 H new ATOM 0 HA THR A 93 11.622 -3.187 -10.219 1.00 51.10 H new ATOM 0 HB THR A 93 10.185 -1.226 -10.993 1.00 63.43 H new ATOM 0 HG1 THR A 93 12.885 -0.948 -10.028 1.00 62.22 H new ATOM 0 HG21 THR A 93 10.309 0.892 -9.693 1.00 1.34 H new ATOM 0 HG22 THR A 93 9.363 -0.365 -8.861 1.00 1.34 H new ATOM 0 HG23 THR A 93 11.024 -0.006 -8.333 1.00 1.34 H new ATOM 1421 N LEU A 94 11.026 -2.865 -7.085 1.00 22.25 N ATOM 1422 CA LEU A 94 11.607 -2.822 -5.722 1.00 5.30 C ATOM 1423 C LEU A 94 12.710 -3.884 -5.537 1.00 63.41 C ATOM 1424 O LEU A 94 12.516 -5.056 -5.856 1.00 51.23 O ATOM 1425 CB LEU A 94 10.512 -2.991 -4.623 1.00 35.43 C ATOM 1426 CG LEU A 94 9.511 -1.804 -4.449 1.00 1.41 C ATOM 1427 CD1 LEU A 94 8.506 -2.097 -3.317 1.00 10.34 C ATOM 1428 CD2 LEU A 94 10.253 -0.468 -4.207 1.00 72.11 C ATOM 0 H LEU A 94 10.057 -3.182 -7.114 1.00 22.25 H new ATOM 0 HA LEU A 94 12.059 -1.836 -5.608 1.00 5.30 H new ATOM 0 HB2 LEU A 94 9.939 -3.891 -4.848 1.00 35.43 H new ATOM 0 HB3 LEU A 94 11.010 -3.160 -3.668 1.00 35.43 H new ATOM 0 HG LEU A 94 8.952 -1.701 -5.379 1.00 1.41 H new ATOM 0 HD11 LEU A 94 7.819 -1.257 -3.214 1.00 10.34 H new ATOM 0 HD12 LEU A 94 7.943 -2.999 -3.555 1.00 10.34 H new ATOM 0 HD13 LEU A 94 9.045 -2.242 -2.381 1.00 10.34 H new ATOM 0 HD21 LEU A 94 9.526 0.336 -4.090 1.00 72.11 H new ATOM 0 HD22 LEU A 94 10.856 -0.546 -3.303 1.00 72.11 H new ATOM 0 HD23 LEU A 94 10.900 -0.252 -5.057 1.00 72.11 H new ATOM 1440 N ARG A 95 13.869 -3.435 -5.045 1.00 33.33 N ATOM 1441 CA ARG A 95 15.001 -4.305 -4.665 1.00 42.55 C ATOM 1442 C ARG A 95 15.075 -4.391 -3.129 1.00 0.13 C ATOM 1443 O ARG A 95 14.779 -3.404 -2.437 1.00 74.40 O ATOM 1444 CB ARG A 95 16.324 -3.726 -5.255 1.00 11.44 C ATOM 1445 CG ARG A 95 17.610 -4.457 -4.811 1.00 3.42 C ATOM 1446 CD ARG A 95 18.894 -3.836 -5.381 1.00 31.42 C ATOM 1447 NE ARG A 95 20.102 -4.486 -4.835 1.00 14.40 N ATOM 1448 CZ ARG A 95 21.335 -4.407 -5.364 1.00 34.01 C ATOM 1449 NH1 ARG A 95 21.564 -3.693 -6.465 1.00 45.31 N1+ ATOM 1450 NH2 ARG A 95 22.343 -5.035 -4.771 1.00 30.53 N ATOM 0 H ARG A 95 14.056 -2.444 -4.895 1.00 33.33 H new ATOM 0 HA ARG A 95 14.857 -5.308 -5.066 1.00 42.55 H new ATOM 0 HB2 ARG A 95 16.263 -3.757 -6.343 1.00 11.44 H new ATOM 0 HB3 ARG A 95 16.403 -2.677 -4.970 1.00 11.44 H new ATOM 0 HG2 ARG A 95 17.665 -4.451 -3.722 1.00 3.42 H new ATOM 0 HG3 ARG A 95 17.551 -5.500 -5.121 1.00 3.42 H new ATOM 0 HD2 ARG A 95 18.891 -3.926 -6.467 1.00 31.42 H new ATOM 0 HD3 ARG A 95 18.917 -2.771 -5.150 1.00 31.42 H new ATOM 0 HE ARG A 95 19.992 -5.041 -3.986 1.00 14.40 H new ATOM 0 HH11 ARG A 95 20.798 -3.196 -6.919 1.00 45.31 H new ATOM 0 HH12 ARG A 95 22.506 -3.643 -6.854 1.00 45.31 H new ATOM 0 HH21 ARG A 95 22.179 -5.573 -3.920 1.00 30.53 H new ATOM 0 HH22 ARG A 95 23.282 -4.980 -5.166 1.00 30.53 H new ATOM 1464 N LYS A 96 15.454 -5.575 -2.608 1.00 73.11 N ATOM 1465 CA LYS A 96 15.717 -5.763 -1.173 1.00 72.24 C ATOM 1466 C LYS A 96 16.961 -4.955 -0.762 1.00 33.53 C ATOM 1467 O LYS A 96 18.088 -5.300 -1.129 1.00 35.13 O ATOM 1468 CB LYS A 96 15.931 -7.265 -0.831 1.00 3.24 C ATOM 1469 CG LYS A 96 14.669 -8.155 -0.922 1.00 43.30 C ATOM 1470 CD LYS A 96 14.979 -9.619 -0.513 1.00 3.25 C ATOM 1471 CE LYS A 96 13.728 -10.499 -0.420 1.00 62.43 C ATOM 1472 NZ LYS A 96 14.064 -11.889 -0.007 1.00 22.24 N1+ ATOM 0 H LYS A 96 15.585 -6.419 -3.166 1.00 73.11 H new ATOM 0 HA LYS A 96 14.848 -5.408 -0.619 1.00 72.24 H new ATOM 0 HB2 LYS A 96 16.688 -7.668 -1.503 1.00 3.24 H new ATOM 0 HB3 LYS A 96 16.332 -7.336 0.180 1.00 3.24 H new ATOM 0 HG2 LYS A 96 13.890 -7.752 -0.275 1.00 43.30 H new ATOM 0 HG3 LYS A 96 14.280 -8.134 -1.940 1.00 43.30 H new ATOM 0 HD2 LYS A 96 15.668 -10.054 -1.238 1.00 3.25 H new ATOM 0 HD3 LYS A 96 15.488 -9.620 0.451 1.00 3.25 H new ATOM 0 HE2 LYS A 96 13.030 -10.065 0.296 1.00 62.43 H new ATOM 0 HE3 LYS A 96 13.223 -10.518 -1.386 1.00 62.43 H new ATOM 0 HZ1 LYS A 96 13.193 -12.456 0.045 1.00 22.24 H new ATOM 0 HZ2 LYS A 96 14.711 -12.311 -0.703 1.00 22.24 H new ATOM 0 HZ3 LYS A 96 14.523 -11.873 0.926 1.00 22.24 H new ATOM 1486 N THR A 97 16.726 -3.859 -0.044 1.00 64.33 N ATOM 1487 CA THR A 97 17.774 -3.045 0.568 1.00 24.42 C ATOM 1488 C THR A 97 18.326 -3.728 1.827 1.00 43.32 C ATOM 1489 O THR A 97 17.559 -4.299 2.623 1.00 4.33 O ATOM 1490 CB THR A 97 17.207 -1.646 0.955 1.00 24.15 C ATOM 1491 OG1 THR A 97 16.649 -1.046 -0.204 1.00 55.25 O ATOM 1492 CG2 THR A 97 18.269 -0.701 1.551 1.00 60.14 C ATOM 0 H THR A 97 15.786 -3.505 0.132 1.00 64.33 H new ATOM 0 HA THR A 97 18.579 -2.929 -0.157 1.00 24.42 H new ATOM 0 HB THR A 97 16.455 -1.803 1.728 1.00 24.15 H new ATOM 0 HG1 THR A 97 17.214 -1.244 -0.979 1.00 55.25 H new ATOM 0 HG21 THR A 97 17.808 0.255 1.798 1.00 60.14 H new ATOM 0 HG22 THR A 97 18.687 -1.147 2.454 1.00 60.14 H new ATOM 0 HG23 THR A 97 19.065 -0.542 0.823 1.00 60.14 H new ATOM 1500 N ASP A 98 19.653 -3.659 1.995 1.00 13.43 N ATOM 1501 CA ASP A 98 20.309 -4.009 3.254 1.00 60.15 C ATOM 1502 C ASP A 98 19.954 -2.941 4.296 1.00 31.32 C ATOM 1503 O ASP A 98 20.388 -1.786 4.176 1.00 53.53 O ATOM 1504 CB ASP A 98 21.844 -4.097 3.062 1.00 74.25 C ATOM 1505 CG ASP A 98 22.246 -5.136 2.005 1.00 50.34 C ATOM 1506 OD1 ASP A 98 22.284 -4.791 0.798 1.00 10.20 O ATOM 1507 OD2 ASP A 98 22.500 -6.305 2.371 1.00 61.42 O1- ATOM 0 H ASP A 98 20.297 -3.360 1.263 1.00 13.43 H new ATOM 0 HA ASP A 98 19.964 -4.986 3.594 1.00 60.15 H new ATOM 0 HB2 ASP A 98 22.227 -3.119 2.770 1.00 74.25 H new ATOM 0 HB3 ASP A 98 22.312 -4.351 4.013 1.00 74.25 H new ATOM 1512 N VAL A 99 19.121 -3.321 5.276 1.00 31.13 N ATOM 1513 CA VAL A 99 18.725 -2.441 6.396 1.00 65.52 C ATOM 1514 C VAL A 99 19.974 -2.061 7.253 1.00 12.14 C ATOM 1515 O VAL A 99 21.008 -2.721 7.130 1.00 4.43 O ATOM 1516 CB VAL A 99 17.609 -3.139 7.270 1.00 33.23 C ATOM 1517 CG1 VAL A 99 16.300 -3.330 6.458 1.00 25.02 C ATOM 1518 CG2 VAL A 99 18.115 -4.479 7.862 1.00 3.55 C ATOM 0 H VAL A 99 18.699 -4.249 5.318 1.00 31.13 H new ATOM 0 HA VAL A 99 18.305 -1.518 5.996 1.00 65.52 H new ATOM 0 HB VAL A 99 17.380 -2.480 8.108 1.00 33.23 H new ATOM 0 HG11 VAL A 99 15.550 -3.813 7.085 1.00 25.02 H new ATOM 0 HG12 VAL A 99 15.929 -2.358 6.132 1.00 25.02 H new ATOM 0 HG13 VAL A 99 16.500 -3.953 5.587 1.00 25.02 H new ATOM 0 HG21 VAL A 99 17.325 -4.935 8.458 1.00 3.55 H new ATOM 0 HG22 VAL A 99 18.393 -5.153 7.052 1.00 3.55 H new ATOM 0 HG23 VAL A 99 18.984 -4.293 8.493 1.00 3.55 H new ATOM 1528 N PRO A 100 19.931 -0.967 8.094 1.00 61.44 N ATOM 1529 CA PRO A 100 21.084 -0.571 8.972 1.00 24.42 C ATOM 1530 C PRO A 100 21.654 -1.720 9.851 1.00 63.12 C ATOM 1531 O PRO A 100 22.843 -1.702 10.207 1.00 61.40 O ATOM 1532 CB PRO A 100 20.484 0.558 9.843 1.00 52.44 C ATOM 1533 CG PRO A 100 19.420 1.167 8.977 1.00 22.32 C ATOM 1534 CD PRO A 100 18.804 0.011 8.219 1.00 64.13 C ATOM 0 HA PRO A 100 21.947 -0.273 8.377 1.00 24.42 H new ATOM 0 HB2 PRO A 100 20.066 0.166 10.770 1.00 52.44 H new ATOM 0 HB3 PRO A 100 21.241 1.292 10.120 1.00 52.44 H new ATOM 0 HG2 PRO A 100 18.673 1.684 9.579 1.00 22.32 H new ATOM 0 HG3 PRO A 100 19.844 1.903 8.294 1.00 22.32 H new ATOM 0 HD2 PRO A 100 17.959 -0.417 8.758 1.00 64.13 H new ATOM 0 HD3 PRO A 100 18.434 0.323 7.243 1.00 64.13 H new ATOM 1542 N VAL A 101 20.784 -2.714 10.162 1.00 43.40 N ATOM 1543 CA VAL A 101 21.115 -3.899 10.990 1.00 43.03 C ATOM 1544 C VAL A 101 21.580 -3.451 12.398 1.00 52.41 C ATOM 1545 O VAL A 101 22.787 -3.365 12.682 1.00 22.31 O ATOM 1546 CB VAL A 101 22.168 -4.877 10.298 1.00 54.54 C ATOM 1547 CG1 VAL A 101 22.450 -6.132 11.161 1.00 63.41 C ATOM 1548 CG2 VAL A 101 21.703 -5.300 8.884 1.00 52.22 C ATOM 0 H VAL A 101 19.817 -2.713 9.838 1.00 43.40 H new ATOM 0 HA VAL A 101 20.203 -4.487 11.093 1.00 43.03 H new ATOM 0 HB VAL A 101 23.098 -4.315 10.206 1.00 54.54 H new ATOM 0 HG11 VAL A 101 23.172 -6.769 10.651 1.00 63.41 H new ATOM 0 HG12 VAL A 101 22.854 -5.827 12.126 1.00 63.41 H new ATOM 0 HG13 VAL A 101 21.523 -6.684 11.314 1.00 63.41 H new ATOM 0 HG21 VAL A 101 22.444 -5.966 8.441 1.00 52.22 H new ATOM 0 HG22 VAL A 101 20.746 -5.818 8.955 1.00 52.22 H new ATOM 0 HG23 VAL A 101 21.591 -4.415 8.258 1.00 52.22 H new ATOM 1558 N GLU A 102 20.596 -3.090 13.247 1.00 11.53 N ATOM 1559 CA GLU A 102 20.837 -2.633 14.635 1.00 45.20 C ATOM 1560 C GLU A 102 21.345 -3.799 15.508 1.00 0.15 C ATOM 1561 O GLU A 102 22.197 -3.614 16.388 1.00 32.53 O ATOM 1562 CB GLU A 102 19.541 -2.020 15.228 1.00 64.02 C ATOM 1563 CG GLU A 102 19.678 -1.436 16.653 1.00 2.13 C ATOM 1564 CD GLU A 102 18.369 -0.816 17.172 1.00 15.11 C ATOM 1565 OE1 GLU A 102 18.116 0.384 16.905 1.00 31.11 O ATOM 1566 OE2 GLU A 102 17.584 -1.530 17.833 1.00 51.53 O1- ATOM 0 H GLU A 102 19.609 -3.107 12.991 1.00 11.53 H new ATOM 0 HA GLU A 102 21.607 -1.862 14.622 1.00 45.20 H new ATOM 0 HB2 GLU A 102 19.194 -1.230 14.561 1.00 64.02 H new ATOM 0 HB3 GLU A 102 18.768 -2.789 15.241 1.00 64.02 H new ATOM 0 HG2 GLU A 102 19.996 -2.225 17.335 1.00 2.13 H new ATOM 0 HG3 GLU A 102 20.460 -0.677 16.656 1.00 2.13 H new ATOM 1573 N GLN A 103 20.798 -4.990 15.250 1.00 32.15 N ATOM 1574 CA GLN A 103 21.249 -6.248 15.854 1.00 22.24 C ATOM 1575 C GLN A 103 22.025 -7.054 14.792 1.00 63.24 C ATOM 1576 O GLN A 103 21.402 -7.644 13.896 1.00 25.43 O ATOM 1577 CB GLN A 103 20.029 -7.060 16.376 1.00 41.13 C ATOM 1578 CG GLN A 103 20.388 -8.413 17.031 1.00 14.23 C ATOM 1579 CD GLN A 103 19.178 -9.212 17.528 1.00 71.11 C ATOM 1580 OE1 GLN A 103 18.154 -8.653 17.928 1.00 23.31 O ATOM 1581 NE2 GLN A 103 19.293 -10.530 17.521 1.00 12.10 N ATOM 0 H GLN A 103 20.017 -5.110 14.605 1.00 32.15 H new ATOM 0 HA GLN A 103 21.902 -6.041 16.702 1.00 22.24 H new ATOM 0 HB2 GLN A 103 19.489 -6.452 17.102 1.00 41.13 H new ATOM 0 HB3 GLN A 103 19.349 -7.243 15.544 1.00 41.13 H new ATOM 0 HG2 GLN A 103 20.937 -9.018 16.310 1.00 14.23 H new ATOM 0 HG3 GLN A 103 21.058 -8.231 17.871 1.00 14.23 H new ATOM 0 HE21 GLN A 103 20.152 -10.965 17.184 1.00 12.10 H new ATOM 0 HE22 GLN A 103 18.523 -11.111 17.852 1.00 12.10 H new ATOM 1590 N PRO A 104 23.397 -7.038 14.822 1.00 23.33 N ATOM 1591 CA PRO A 104 24.225 -7.890 13.937 1.00 33.15 C ATOM 1592 C PRO A 104 23.964 -9.393 14.191 1.00 52.23 C ATOM 1593 O PRO A 104 24.537 -9.991 15.115 1.00 40.25 O ATOM 1594 CB PRO A 104 25.687 -7.479 14.276 1.00 1.23 C ATOM 1595 CG PRO A 104 25.559 -6.130 14.925 1.00 74.21 C ATOM 1596 CD PRO A 104 24.253 -6.172 15.680 1.00 64.31 C ATOM 0 HA PRO A 104 23.997 -7.747 12.881 1.00 33.15 H new ATOM 0 HB2 PRO A 104 26.156 -8.199 14.947 1.00 1.23 H new ATOM 0 HB3 PRO A 104 26.304 -7.431 13.379 1.00 1.23 H new ATOM 0 HG2 PRO A 104 26.395 -5.936 15.597 1.00 74.21 H new ATOM 0 HG3 PRO A 104 25.557 -5.334 14.180 1.00 74.21 H new ATOM 0 HD2 PRO A 104 24.378 -6.591 16.679 1.00 64.31 H new ATOM 0 HD3 PRO A 104 23.826 -5.177 15.803 1.00 64.31 H new ATOM 1604 N PHE A 105 23.030 -9.959 13.407 1.00 72.35 N ATOM 1605 CA PHE A 105 22.644 -11.381 13.479 1.00 11.24 C ATOM 1606 C PHE A 105 23.857 -12.287 13.185 1.00 14.14 C ATOM 1607 O PHE A 105 24.069 -13.301 13.850 1.00 74.34 O ATOM 1608 CB PHE A 105 21.494 -11.666 12.482 1.00 11.11 C ATOM 1609 CG PHE A 105 20.235 -10.825 12.720 1.00 44.11 C ATOM 1610 CD1 PHE A 105 19.896 -9.760 11.870 1.00 41.32 C ATOM 1611 CD2 PHE A 105 19.391 -11.097 13.796 1.00 44.30 C ATOM 1612 CE1 PHE A 105 18.759 -9.001 12.101 1.00 23.02 C ATOM 1613 CE2 PHE A 105 18.255 -10.338 14.022 1.00 34.45 C ATOM 1614 CZ PHE A 105 17.939 -9.292 13.176 1.00 62.41 C ATOM 0 H PHE A 105 22.516 -9.437 12.697 1.00 72.35 H new ATOM 0 HA PHE A 105 22.295 -11.601 14.488 1.00 11.24 H new ATOM 0 HB2 PHE A 105 21.853 -11.484 11.469 1.00 11.11 H new ATOM 0 HB3 PHE A 105 21.229 -12.722 12.542 1.00 11.11 H new ATOM 0 HD1 PHE A 105 20.529 -9.529 11.026 1.00 41.32 H new ATOM 0 HD2 PHE A 105 19.627 -11.912 14.464 1.00 44.30 H new ATOM 0 HE1 PHE A 105 18.514 -8.182 11.441 1.00 23.02 H new ATOM 0 HE2 PHE A 105 17.614 -10.564 14.862 1.00 34.45 H new ATOM 0 HZ PHE A 105 17.052 -8.702 13.354 1.00 62.41 H new ATOM 1624 N VAL A 106 24.647 -11.873 12.184 1.00 54.03 N ATOM 1625 CA VAL A 106 25.929 -12.491 11.825 1.00 35.31 C ATOM 1626 C VAL A 106 26.816 -11.441 11.101 1.00 54.03 C ATOM 1627 O VAL A 106 26.806 -11.311 9.869 1.00 61.12 O ATOM 1628 CB VAL A 106 25.744 -13.826 10.992 1.00 45.34 C ATOM 1629 CG1 VAL A 106 24.817 -13.636 9.768 1.00 53.25 C ATOM 1630 CG2 VAL A 106 27.109 -14.446 10.586 1.00 22.40 C ATOM 0 H VAL A 106 24.406 -11.081 11.589 1.00 54.03 H new ATOM 0 HA VAL A 106 26.440 -12.801 12.736 1.00 35.31 H new ATOM 0 HB VAL A 106 25.247 -14.536 11.653 1.00 45.34 H new ATOM 0 HG11 VAL A 106 24.724 -14.581 9.232 1.00 53.25 H new ATOM 0 HG12 VAL A 106 23.832 -13.311 10.104 1.00 53.25 H new ATOM 0 HG13 VAL A 106 25.241 -12.882 9.104 1.00 53.25 H new ATOM 0 HG21 VAL A 106 26.939 -15.360 10.017 1.00 22.40 H new ATOM 0 HG22 VAL A 106 27.664 -13.735 9.974 1.00 22.40 H new ATOM 0 HG23 VAL A 106 27.684 -14.679 11.482 1.00 22.40 H new ATOM 1640 N HIS A 107 27.532 -10.638 11.910 1.00 71.30 N ATOM 1641 CA HIS A 107 28.486 -9.625 11.418 1.00 75.43 C ATOM 1642 C HIS A 107 29.486 -9.279 12.538 1.00 23.22 C ATOM 1643 O HIS A 107 29.171 -8.486 13.437 1.00 74.11 O ATOM 1644 CB HIS A 107 27.757 -8.336 10.911 1.00 53.13 C ATOM 1645 CG HIS A 107 28.665 -7.346 10.206 1.00 0.43 C ATOM 1646 ND1 HIS A 107 29.620 -6.587 10.862 1.00 44.43 N ATOM 1647 CD2 HIS A 107 28.783 -7.018 8.891 1.00 12.51 C ATOM 1648 CE1 HIS A 107 30.278 -5.848 9.990 1.00 64.43 C ATOM 1649 NE2 HIS A 107 29.793 -6.095 8.791 1.00 61.24 N ATOM 0 H HIS A 107 27.465 -10.673 12.927 1.00 71.30 H new ATOM 0 HA HIS A 107 29.022 -10.044 10.566 1.00 75.43 H new ATOM 0 HB2 HIS A 107 26.958 -8.628 10.230 1.00 53.13 H new ATOM 0 HB3 HIS A 107 27.287 -7.840 11.760 1.00 53.13 H new ATOM 0 HD2 HIS A 107 28.192 -7.411 8.077 1.00 12.51 H new ATOM 0 HE1 HIS A 107 31.077 -5.159 10.220 1.00 64.43 H new ATOM 0 HE2 HIS A 107 30.117 -5.667 7.924 1.00 61.24 H new ATOM 1658 N SER A 108 30.675 -9.907 12.493 1.00 55.24 N ATOM 1659 CA SER A 108 31.781 -9.626 13.426 1.00 41.30 C ATOM 1660 C SER A 108 32.689 -8.515 12.846 1.00 52.03 C ATOM 1661 O SER A 108 33.263 -8.694 11.763 1.00 21.02 O ATOM 1662 CB SER A 108 32.601 -10.911 13.699 1.00 75.31 C ATOM 1663 OG SER A 108 31.789 -11.924 14.280 1.00 21.43 O ATOM 0 H SER A 108 30.896 -10.627 11.805 1.00 55.24 H new ATOM 0 HA SER A 108 31.364 -9.282 14.373 1.00 41.30 H new ATOM 0 HB2 SER A 108 33.031 -11.276 12.767 1.00 75.31 H new ATOM 0 HB3 SER A 108 33.432 -10.681 14.365 1.00 75.31 H new ATOM 0 HG SER A 108 32.330 -12.725 14.441 1.00 21.43 H new ATOM 1669 N PRO A 109 32.787 -7.324 13.521 1.00 35.34 N ATOM 1670 CA PRO A 109 33.730 -6.249 13.130 1.00 4.21 C ATOM 1671 C PRO A 109 35.139 -6.433 13.760 1.00 5.14 C ATOM 1672 O PRO A 109 35.349 -7.333 14.584 1.00 74.14 O ATOM 1673 CB PRO A 109 32.999 -4.997 13.652 1.00 31.10 C ATOM 1674 CG PRO A 109 32.313 -5.450 14.909 1.00 53.10 C ATOM 1675 CD PRO A 109 31.962 -6.913 14.700 1.00 43.02 C ATOM 0 HA PRO A 109 33.946 -6.216 12.062 1.00 4.21 H new ATOM 0 HB2 PRO A 109 33.698 -4.186 13.853 1.00 31.10 H new ATOM 0 HB3 PRO A 109 32.281 -4.625 12.921 1.00 31.10 H new ATOM 0 HG2 PRO A 109 32.965 -5.326 15.774 1.00 53.10 H new ATOM 0 HG3 PRO A 109 31.417 -4.858 15.098 1.00 53.10 H new ATOM 0 HD2 PRO A 109 32.201 -7.509 15.580 1.00 43.02 H new ATOM 0 HD3 PRO A 109 30.897 -7.043 14.506 1.00 43.02 H new ATOM 1683 N GLU A 110 36.107 -5.588 13.349 1.00 13.45 N ATOM 1684 CA GLU A 110 37.521 -5.694 13.796 1.00 14.30 C ATOM 1685 C GLU A 110 37.740 -4.936 15.120 1.00 2.24 C ATOM 1686 O GLU A 110 37.377 -3.762 15.226 1.00 73.22 O ATOM 1687 CB GLU A 110 38.469 -5.140 12.706 1.00 61.53 C ATOM 1688 CG GLU A 110 38.344 -5.833 11.337 1.00 65.11 C ATOM 1689 CD GLU A 110 39.259 -5.212 10.275 1.00 60.31 C ATOM 1690 OE1 GLU A 110 40.269 -5.839 9.886 1.00 24.30 O ATOM 1691 OE2 GLU A 110 38.984 -4.071 9.839 1.00 51.14 O1- ATOM 0 H GLU A 110 35.938 -4.817 12.703 1.00 13.45 H new ATOM 0 HA GLU A 110 37.745 -6.747 13.963 1.00 14.30 H new ATOM 0 HB2 GLU A 110 38.273 -4.075 12.579 1.00 61.53 H new ATOM 0 HB3 GLU A 110 39.497 -5.235 13.054 1.00 61.53 H new ATOM 0 HG2 GLU A 110 38.586 -6.890 11.446 1.00 65.11 H new ATOM 0 HG3 GLU A 110 37.310 -5.776 10.998 1.00 65.11 H new ATOM 1698 N ASP A 111 38.328 -5.612 16.122 1.00 32.44 N ATOM 1699 CA ASP A 111 38.619 -5.019 17.441 1.00 40.33 C ATOM 1700 C ASP A 111 39.997 -4.290 17.419 1.00 55.42 C ATOM 1701 O ASP A 111 41.049 -4.944 17.274 1.00 60.45 O ATOM 1702 CB ASP A 111 38.521 -6.099 18.572 1.00 70.11 C ATOM 1703 CG ASP A 111 39.522 -7.272 18.460 1.00 23.11 C ATOM 1704 OD1 ASP A 111 39.380 -8.091 17.528 1.00 74.13 O ATOM 1705 OD2 ASP A 111 40.446 -7.380 19.304 1.00 3.50 O1- ATOM 1706 OXT ASP A 111 40.011 -3.044 17.505 1.00 37.89 O1- ATOM 0 H ASP A 111 38.616 -6.587 16.041 1.00 32.44 H new ATOM 0 HA ASP A 111 37.865 -4.265 17.666 1.00 40.33 H new ATOM 0 HB2 ASP A 111 38.670 -5.608 19.534 1.00 70.11 H new ATOM 0 HB3 ASP A 111 37.510 -6.506 18.575 1.00 70.11 H new TER 1711 ASP A 111