USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 661 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 35 CYS SG : rot -84:sc= 0.348 USER MOD Set 1.2: A 69 SER OG : rot -97:sc= 1.28 USER MOD Set 1.3: A 71 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.579 USER MOD Set 2.2: A 16 GLN : amide:sc=-0.00624 X(o=-0.59,f=-0.59) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.132 (180deg=-0.745) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0718 K(o=-0.072,f=-1) USER MOD Single : A 17 LYS NZ :NH3+ 155:sc=-0.000828 (180deg=-0.694) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.174 USER MOD Single : A 38 THR OG1 : rot -150:sc= -0.943 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -170:sc= -2.94! (180deg=-3.3!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.602 K(o=-0.6,f=-3.6!) USER MOD Single : A 53 THR OG1 : rot 163:sc= -0.58 USER MOD Single : A 58 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.039) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 156:sc= -1.18 (180deg=-2.83!) USER MOD Single : A 81 MET CE :methyl 169:sc= -1.46 (180deg=-2.61) USER MOD Single : A 84 CYS SG : rot -32:sc= 0.0185 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0739) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.135 -3.666 -0.811 1.00 5.10 N ATOM 2 CA MET A 1 2.740 -2.588 -0.037 1.00 54.51 C ATOM 3 C MET A 1 4.250 -2.550 -0.244 1.00 44.14 C ATOM 4 O MET A 1 4.996 -2.110 0.631 1.00 13.20 O ATOM 5 CB MET A 1 2.421 -2.758 1.450 1.00 42.54 C ATOM 6 CG MET A 1 3.040 -4.002 2.065 1.00 2.12 C ATOM 7 SD MET A 1 2.221 -4.503 3.592 1.00 42.45 S ATOM 8 CE MET A 1 3.633 -4.910 4.615 1.00 21.05 C ATOM 0 H1 MET A 1 1.208 -3.907 -0.405 1.00 5.10 H new ATOM 0 H2 MET A 1 2.012 -3.359 -1.797 1.00 5.10 H new ATOM 0 H3 MET A 1 2.753 -4.502 -0.784 1.00 5.10 H new ATOM 0 HA MET A 1 2.320 -1.645 -0.386 1.00 54.51 H new ATOM 0 HB2 MET A 1 2.774 -1.881 1.992 1.00 42.54 H new ATOM 0 HB3 MET A 1 1.339 -2.798 1.579 1.00 42.54 H new ATOM 0 HG2 MET A 1 2.992 -4.820 1.346 1.00 2.12 H new ATOM 0 HG3 MET A 1 4.095 -3.816 2.267 1.00 2.12 H new ATOM 0 HE1 MET A 1 3.289 -5.238 5.596 1.00 21.05 H new ATOM 0 HE2 MET A 1 4.205 -5.710 4.144 1.00 21.05 H new ATOM 0 HE3 MET A 1 4.266 -4.030 4.728 1.00 21.05 H new ATOM 18 N ASP A 2 4.695 -3.014 -1.407 1.00 21.11 N ATOM 19 CA ASP A 2 6.117 -3.033 -1.729 1.00 43.31 C ATOM 20 C ASP A 2 6.452 -1.973 -2.774 1.00 54.30 C ATOM 21 O ASP A 2 6.153 -2.137 -3.957 1.00 14.11 O ATOM 22 CB ASP A 2 6.529 -4.415 -2.237 1.00 72.34 C ATOM 23 CG ASP A 2 6.381 -5.489 -1.178 1.00 32.43 C ATOM 24 OD1 ASP A 2 7.114 -5.432 -0.169 1.00 24.10 O ATOM 25 OD2 ASP A 2 5.532 -6.388 -1.358 1.00 11.14 O ATOM 0 H ASP A 2 4.091 -3.382 -2.142 1.00 21.11 H new ATOM 0 HA ASP A 2 6.673 -2.809 -0.819 1.00 43.31 H new ATOM 0 HB2 ASP A 2 5.921 -4.677 -3.103 1.00 72.34 H new ATOM 0 HB3 ASP A 2 7.565 -4.381 -2.574 1.00 72.34 H new ATOM 30 N ASP A 3 7.072 -0.886 -2.329 1.00 1.21 N ATOM 31 CA ASP A 3 7.447 0.202 -3.225 1.00 61.32 C ATOM 32 C ASP A 3 8.459 -0.274 -4.263 1.00 52.01 C ATOM 33 O ASP A 3 8.562 0.295 -5.350 1.00 52.51 O ATOM 34 CB ASP A 3 8.027 1.371 -2.428 1.00 50.22 C ATOM 35 CG ASP A 3 8.337 2.570 -3.302 1.00 43.34 C ATOM 36 OD1 ASP A 3 7.506 2.900 -4.174 1.00 41.42 O ATOM 37 OD2 ASP A 3 9.411 3.179 -3.114 1.00 40.12 O ATOM 0 H ASP A 3 7.326 -0.734 -1.353 1.00 1.21 H new ATOM 0 HA ASP A 3 6.550 0.537 -3.745 1.00 61.32 H new ATOM 0 HB2 ASP A 3 7.320 1.664 -1.652 1.00 50.22 H new ATOM 0 HB3 ASP A 3 8.938 1.047 -1.924 1.00 50.22 H new ATOM 42 N ILE A 4 9.204 -1.319 -3.920 1.00 74.40 N ATOM 43 CA ILE A 4 10.207 -1.871 -4.822 1.00 72.02 C ATOM 44 C ILE A 4 9.557 -2.488 -6.056 1.00 32.21 C ATOM 45 O ILE A 4 10.179 -2.589 -7.114 1.00 0.24 O ATOM 46 CB ILE A 4 11.068 -2.938 -4.121 1.00 61.34 C ATOM 47 CG1 ILE A 4 12.076 -3.538 -5.104 1.00 51.34 C ATOM 48 CG2 ILE A 4 10.185 -4.027 -3.530 1.00 41.10 C ATOM 49 CD1 ILE A 4 13.450 -3.748 -4.508 1.00 41.30 C ATOM 0 H ILE A 4 9.132 -1.801 -3.024 1.00 74.40 H new ATOM 0 HA ILE A 4 10.847 -1.043 -5.127 1.00 72.02 H new ATOM 0 HB ILE A 4 11.619 -2.463 -3.309 1.00 61.34 H new ATOM 0 HG12 ILE A 4 11.695 -4.494 -5.464 1.00 51.34 H new ATOM 0 HG13 ILE A 4 12.161 -2.882 -5.970 1.00 51.34 H new ATOM 0 HG21 ILE A 4 10.808 -4.774 -3.038 1.00 41.10 H new ATOM 0 HG22 ILE A 4 9.503 -3.587 -2.802 1.00 41.10 H new ATOM 0 HG23 ILE A 4 9.610 -4.501 -4.326 1.00 41.10 H new ATOM 0 HD11 ILE A 4 14.112 -4.176 -5.261 1.00 41.30 H new ATOM 0 HD12 ILE A 4 13.851 -2.792 -4.173 1.00 41.30 H new ATOM 0 HD13 ILE A 4 13.378 -4.428 -3.659 1.00 41.30 H new ATOM 61 N TYR A 5 8.301 -2.898 -5.914 1.00 25.35 N ATOM 62 CA TYR A 5 7.566 -3.506 -7.016 1.00 64.42 C ATOM 63 C TYR A 5 7.046 -2.442 -7.977 1.00 11.52 C ATOM 64 O TYR A 5 7.001 -2.650 -9.189 1.00 62.14 O ATOM 65 CB TYR A 5 6.401 -4.340 -6.481 1.00 72.24 C ATOM 66 CG TYR A 5 6.787 -5.755 -6.114 1.00 20.03 C ATOM 67 CD1 TYR A 5 7.983 -6.022 -5.460 1.00 22.15 C ATOM 68 CD2 TYR A 5 5.955 -6.825 -6.420 1.00 12.21 C ATOM 69 CE1 TYR A 5 8.340 -7.313 -5.123 1.00 23.35 C ATOM 70 CE2 TYR A 5 6.303 -8.119 -6.085 1.00 60.23 C ATOM 71 CZ TYR A 5 7.497 -8.358 -5.437 1.00 71.33 C ATOM 72 OH TYR A 5 7.848 -9.646 -5.102 1.00 3.20 O ATOM 0 H TYR A 5 7.771 -2.820 -5.046 1.00 25.35 H new ATOM 0 HA TYR A 5 8.250 -4.157 -7.560 1.00 64.42 H new ATOM 0 HB2 TYR A 5 5.985 -3.846 -5.603 1.00 72.24 H new ATOM 0 HB3 TYR A 5 5.612 -4.371 -7.233 1.00 72.24 H new ATOM 0 HD1 TYR A 5 8.645 -5.206 -5.211 1.00 22.15 H new ATOM 0 HD2 TYR A 5 5.020 -6.642 -6.929 1.00 12.21 H new ATOM 0 HE1 TYR A 5 9.275 -7.503 -4.616 1.00 23.35 H new ATOM 0 HE2 TYR A 5 5.644 -8.939 -6.329 1.00 60.23 H new ATOM 0 HH TYR A 5 7.144 -10.263 -5.393 1.00 3.20 H new ATOM 82 N LYS A 6 6.653 -1.298 -7.426 1.00 24.03 N ATOM 83 CA LYS A 6 6.137 -0.197 -8.231 1.00 25.40 C ATOM 84 C LYS A 6 7.190 0.294 -9.219 1.00 63.13 C ATOM 85 O LYS A 6 6.884 0.575 -10.378 1.00 25.23 O ATOM 86 CB LYS A 6 5.691 0.956 -7.329 1.00 65.14 C ATOM 87 CG LYS A 6 4.350 0.719 -6.657 1.00 24.42 C ATOM 88 CD LYS A 6 4.437 -0.384 -5.615 1.00 13.35 C ATOM 89 CE LYS A 6 3.325 -0.264 -4.583 1.00 50.13 C ATOM 90 NZ LYS A 6 3.738 0.562 -3.415 1.00 45.13 N ATOM 0 H LYS A 6 6.682 -1.109 -6.424 1.00 24.03 H new ATOM 0 HA LYS A 6 5.278 -0.562 -8.794 1.00 25.40 H new ATOM 0 HB2 LYS A 6 6.448 1.120 -6.562 1.00 65.14 H new ATOM 0 HB3 LYS A 6 5.635 1.869 -7.922 1.00 65.14 H new ATOM 0 HG2 LYS A 6 4.010 1.641 -6.185 1.00 24.42 H new ATOM 0 HG3 LYS A 6 3.607 0.453 -7.409 1.00 24.42 H new ATOM 0 HD2 LYS A 6 4.376 -1.355 -6.106 1.00 13.35 H new ATOM 0 HD3 LYS A 6 5.405 -0.339 -5.116 1.00 13.35 H new ATOM 0 HE2 LYS A 6 2.445 0.179 -5.048 1.00 50.13 H new ATOM 0 HE3 LYS A 6 3.038 -1.258 -4.241 1.00 50.13 H new ATOM 0 HZ1 LYS A 6 2.953 0.619 -2.735 1.00 45.13 H new ATOM 0 HZ2 LYS A 6 4.563 0.126 -2.955 1.00 45.13 H new ATOM 0 HZ3 LYS A 6 3.987 1.519 -3.737 1.00 45.13 H new ATOM 104 N ALA A 7 8.431 0.394 -8.754 1.00 62.31 N ATOM 105 CA ALA A 7 9.529 0.847 -9.598 1.00 44.24 C ATOM 106 C ALA A 7 9.718 -0.076 -10.797 1.00 74.03 C ATOM 107 O ALA A 7 9.745 0.375 -11.942 1.00 13.21 O ATOM 108 CB ALA A 7 10.815 0.934 -8.790 1.00 4.50 C ATOM 0 H ALA A 7 8.701 0.167 -7.797 1.00 62.31 H new ATOM 0 HA ALA A 7 9.280 1.840 -9.973 1.00 44.24 H new ATOM 0 HB1 ALA A 7 11.627 1.274 -9.433 1.00 4.50 H new ATOM 0 HB2 ALA A 7 10.682 1.640 -7.970 1.00 4.50 H new ATOM 0 HB3 ALA A 7 11.059 -0.049 -8.387 1.00 4.50 H new ATOM 114 N ALA A 8 9.848 -1.371 -10.527 1.00 0.43 N ATOM 115 CA ALA A 8 10.032 -2.357 -11.584 1.00 24.24 C ATOM 116 C ALA A 8 8.916 -2.268 -12.619 1.00 30.35 C ATOM 117 O ALA A 8 9.120 -2.571 -13.794 1.00 40.13 O ATOM 118 CB ALA A 8 10.097 -3.758 -10.993 1.00 13.12 C ATOM 0 H ALA A 8 9.829 -1.761 -9.585 1.00 0.43 H new ATOM 0 HA ALA A 8 10.975 -2.143 -12.087 1.00 24.24 H new ATOM 0 HB1 ALA A 8 10.235 -4.485 -11.794 1.00 13.12 H new ATOM 0 HB2 ALA A 8 10.934 -3.821 -10.298 1.00 13.12 H new ATOM 0 HB3 ALA A 8 9.169 -3.973 -10.464 1.00 13.12 H new ATOM 124 N VAL A 9 7.735 -1.852 -12.174 1.00 14.24 N ATOM 125 CA VAL A 9 6.585 -1.723 -13.062 1.00 5.44 C ATOM 126 C VAL A 9 6.780 -0.577 -14.049 1.00 31.41 C ATOM 127 O VAL A 9 6.496 -0.716 -15.238 1.00 55.31 O ATOM 128 CB VAL A 9 5.287 -1.487 -12.268 1.00 13.20 C ATOM 129 CG1 VAL A 9 4.107 -1.314 -13.213 1.00 3.01 C ATOM 130 CG2 VAL A 9 5.040 -2.633 -11.298 1.00 51.52 C ATOM 0 H VAL A 9 7.549 -1.598 -11.204 1.00 14.24 H new ATOM 0 HA VAL A 9 6.501 -2.661 -13.610 1.00 5.44 H new ATOM 0 HB VAL A 9 5.397 -0.569 -11.690 1.00 13.20 H new ATOM 0 HG11 VAL A 9 3.198 -1.148 -12.634 1.00 3.01 H new ATOM 0 HG12 VAL A 9 4.284 -0.457 -13.863 1.00 3.01 H new ATOM 0 HG13 VAL A 9 3.992 -2.212 -13.820 1.00 3.01 H new ATOM 0 HG21 VAL A 9 4.119 -2.450 -10.745 1.00 51.52 H new ATOM 0 HG22 VAL A 9 4.950 -3.567 -11.853 1.00 51.52 H new ATOM 0 HG23 VAL A 9 5.874 -2.705 -10.600 1.00 51.52 H new ATOM 140 N GLU A 10 7.267 0.553 -13.547 1.00 52.20 N ATOM 141 CA GLU A 10 7.499 1.723 -14.386 1.00 40.00 C ATOM 142 C GLU A 10 8.604 1.453 -15.403 1.00 23.52 C ATOM 143 O GLU A 10 8.714 2.145 -16.414 1.00 12.40 O ATOM 144 CB GLU A 10 7.869 2.932 -13.524 1.00 30.55 C ATOM 145 CG GLU A 10 6.696 3.852 -13.230 1.00 61.22 C ATOM 146 CD GLU A 10 7.034 5.314 -13.444 1.00 43.44 C ATOM 147 OE1 GLU A 10 8.230 5.664 -13.361 1.00 3.54 O ATOM 148 OE2 GLU A 10 6.104 6.108 -13.696 1.00 0.55 O ATOM 0 H GLU A 10 7.508 0.683 -12.565 1.00 52.20 H new ATOM 0 HA GLU A 10 6.577 1.939 -14.926 1.00 40.00 H new ATOM 0 HB2 GLU A 10 8.289 2.581 -12.582 1.00 30.55 H new ATOM 0 HB3 GLU A 10 8.649 3.502 -14.028 1.00 30.55 H new ATOM 0 HG2 GLU A 10 5.856 3.580 -13.869 1.00 61.22 H new ATOM 0 HG3 GLU A 10 6.373 3.705 -12.199 1.00 61.22 H new ATOM 155 N GLN A 11 9.421 0.441 -15.126 1.00 13.05 N ATOM 156 CA GLN A 11 10.518 0.080 -16.015 1.00 22.10 C ATOM 157 C GLN A 11 10.051 -0.900 -17.086 1.00 52.44 C ATOM 158 O GLN A 11 10.844 -1.366 -17.905 1.00 24.43 O ATOM 159 CB GLN A 11 11.670 -0.532 -15.216 1.00 3.43 C ATOM 160 CG GLN A 11 12.004 0.235 -13.946 1.00 31.31 C ATOM 161 CD GLN A 11 13.496 0.412 -13.747 1.00 1.44 C ATOM 162 OE1 GLN A 11 14.299 -0.378 -14.243 1.00 30.41 O ATOM 163 NE2 GLN A 11 13.876 1.455 -13.017 1.00 62.21 N ATOM 0 H GLN A 11 9.343 -0.143 -14.293 1.00 13.05 H new ATOM 0 HA GLN A 11 10.867 0.988 -16.506 1.00 22.10 H new ATOM 0 HB2 GLN A 11 11.414 -1.559 -14.954 1.00 3.43 H new ATOM 0 HB3 GLN A 11 12.557 -0.576 -15.848 1.00 3.43 H new ATOM 0 HG2 GLN A 11 11.527 1.215 -13.982 1.00 31.31 H new ATOM 0 HG3 GLN A 11 11.587 -0.292 -13.088 1.00 31.31 H new ATOM 0 HE21 GLN A 11 13.176 2.085 -12.625 1.00 62.21 H new ATOM 0 HE22 GLN A 11 14.867 1.626 -12.849 1.00 62.21 H new ATOM 172 N LEU A 12 8.759 -1.208 -17.076 1.00 14.40 N ATOM 173 CA LEU A 12 8.185 -2.133 -18.047 1.00 52.31 C ATOM 174 C LEU A 12 8.194 -1.527 -19.447 1.00 72.41 C ATOM 175 O LEU A 12 8.485 -0.344 -19.622 1.00 51.32 O ATOM 176 CB LEU A 12 6.755 -2.500 -17.647 1.00 72.43 C ATOM 177 CG LEU A 12 6.609 -3.367 -16.396 1.00 65.41 C ATOM 178 CD1 LEU A 12 5.146 -3.498 -16.005 1.00 32.54 C ATOM 179 CD2 LEU A 12 7.228 -4.739 -16.623 1.00 73.32 C ATOM 0 H LEU A 12 8.089 -0.831 -16.406 1.00 14.40 H new ATOM 0 HA LEU A 12 8.796 -3.036 -18.058 1.00 52.31 H new ATOM 0 HB2 LEU A 12 6.194 -1.578 -17.493 1.00 72.43 H new ATOM 0 HB3 LEU A 12 6.288 -3.021 -18.482 1.00 72.43 H new ATOM 0 HG LEU A 12 7.140 -2.882 -15.577 1.00 65.41 H new ATOM 0 HD11 LEU A 12 5.062 -4.118 -15.113 1.00 32.54 H new ATOM 0 HD12 LEU A 12 4.734 -2.510 -15.800 1.00 32.54 H new ATOM 0 HD13 LEU A 12 4.591 -3.960 -16.822 1.00 32.54 H new ATOM 0 HD21 LEU A 12 7.115 -5.343 -15.722 1.00 73.32 H new ATOM 0 HD22 LEU A 12 6.726 -5.232 -17.455 1.00 73.32 H new ATOM 0 HD23 LEU A 12 8.287 -4.627 -16.854 1.00 73.32 H new ATOM 191 N THR A 13 7.871 -2.347 -20.443 1.00 20.11 N ATOM 192 CA THR A 13 7.841 -1.893 -21.827 1.00 51.14 C ATOM 193 C THR A 13 6.807 -0.790 -22.022 1.00 34.02 C ATOM 194 O THR A 13 5.779 -0.765 -21.346 1.00 74.31 O ATOM 195 CB THR A 13 7.526 -3.052 -22.792 1.00 43.10 C ATOM 196 OG1 THR A 13 7.747 -4.307 -22.139 1.00 2.23 O ATOM 197 CG2 THR A 13 8.390 -2.966 -24.041 1.00 42.22 C ATOM 0 H THR A 13 7.627 -3.329 -20.316 1.00 20.11 H new ATOM 0 HA THR A 13 8.833 -1.501 -22.052 1.00 51.14 H new ATOM 0 HB THR A 13 6.479 -2.976 -23.087 1.00 43.10 H new ATOM 0 HG1 THR A 13 7.543 -5.038 -22.758 1.00 2.23 H new ATOM 0 HG21 THR A 13 8.150 -3.795 -24.707 1.00 42.22 H new ATOM 0 HG22 THR A 13 8.198 -2.022 -24.552 1.00 42.22 H new ATOM 0 HG23 THR A 13 9.442 -3.019 -23.760 1.00 42.22 H new ATOM 205 N GLU A 14 7.086 0.120 -22.950 1.00 31.02 N ATOM 206 CA GLU A 14 6.178 1.226 -23.232 1.00 61.41 C ATOM 207 C GLU A 14 4.778 0.711 -23.554 1.00 40.34 C ATOM 208 O GLU A 14 3.781 1.268 -23.096 1.00 0.01 O ATOM 209 CB GLU A 14 6.707 2.063 -24.398 1.00 55.54 C ATOM 210 CG GLU A 14 7.949 2.868 -24.056 1.00 64.30 C ATOM 211 CD GLU A 14 7.635 4.111 -23.247 1.00 2.10 C ATOM 212 OE1 GLU A 14 6.564 4.711 -23.472 1.00 53.23 O ATOM 213 OE2 GLU A 14 8.462 4.484 -22.388 1.00 33.31 O ATOM 0 H GLU A 14 7.933 0.113 -23.519 1.00 31.02 H new ATOM 0 HA GLU A 14 6.120 1.852 -22.342 1.00 61.41 H new ATOM 0 HB2 GLU A 14 6.932 1.403 -25.236 1.00 55.54 H new ATOM 0 HB3 GLU A 14 5.923 2.744 -24.730 1.00 55.54 H new ATOM 0 HG2 GLU A 14 8.641 2.240 -23.496 1.00 64.30 H new ATOM 0 HG3 GLU A 14 8.455 3.157 -24.977 1.00 64.30 H new ATOM 220 N GLU A 15 4.713 -0.354 -24.347 1.00 21.24 N ATOM 221 CA GLU A 15 3.435 -0.943 -24.731 1.00 45.53 C ATOM 222 C GLU A 15 2.716 -1.523 -23.517 1.00 65.51 C ATOM 223 O GLU A 15 1.492 -1.457 -23.419 1.00 14.14 O ATOM 224 CB GLU A 15 3.647 -2.034 -25.783 1.00 2.22 C ATOM 225 CG GLU A 15 4.088 -1.499 -27.135 1.00 54.20 C ATOM 226 CD GLU A 15 4.201 -2.588 -28.184 1.00 40.53 C ATOM 227 OE1 GLU A 15 3.185 -2.881 -28.848 1.00 40.43 O ATOM 228 OE2 GLU A 15 5.307 -3.146 -28.341 1.00 71.33 O ATOM 0 H GLU A 15 5.529 -0.826 -24.736 1.00 21.24 H new ATOM 0 HA GLU A 15 2.814 -0.155 -25.156 1.00 45.53 H new ATOM 0 HB2 GLU A 15 4.395 -2.738 -25.419 1.00 2.22 H new ATOM 0 HB3 GLU A 15 2.719 -2.592 -25.908 1.00 2.22 H new ATOM 0 HG2 GLU A 15 3.376 -0.746 -27.473 1.00 54.20 H new ATOM 0 HG3 GLU A 15 5.052 -1.001 -27.028 1.00 54.20 H new ATOM 235 N GLN A 16 3.488 -2.093 -22.597 1.00 33.04 N ATOM 236 CA GLN A 16 2.924 -2.687 -21.390 1.00 4.21 C ATOM 237 C GLN A 16 2.191 -1.639 -20.559 1.00 22.13 C ATOM 238 O GLN A 16 1.016 -1.803 -20.229 1.00 24.41 O ATOM 239 CB GLN A 16 4.027 -3.338 -20.554 1.00 5.13 C ATOM 240 CG GLN A 16 4.624 -4.580 -21.195 1.00 64.02 C ATOM 241 CD GLN A 16 5.025 -5.628 -20.176 1.00 22.11 C ATOM 242 OE1 GLN A 16 6.208 -5.804 -19.881 1.00 13.41 O ATOM 243 NE2 GLN A 16 4.040 -6.332 -19.631 1.00 54.21 N ATOM 0 H GLN A 16 4.504 -2.156 -22.664 1.00 33.04 H new ATOM 0 HA GLN A 16 2.207 -3.451 -21.692 1.00 4.21 H new ATOM 0 HB2 GLN A 16 4.820 -2.610 -20.384 1.00 5.13 H new ATOM 0 HB3 GLN A 16 3.623 -3.602 -19.577 1.00 5.13 H new ATOM 0 HG2 GLN A 16 3.900 -5.010 -21.887 1.00 64.02 H new ATOM 0 HG3 GLN A 16 5.498 -4.297 -21.782 1.00 64.02 H new ATOM 0 HE21 GLN A 16 3.074 -6.153 -19.904 1.00 54.21 H new ATOM 0 HE22 GLN A 16 4.250 -7.051 -18.939 1.00 54.21 H new ATOM 252 N LYS A 17 2.892 -0.562 -20.222 1.00 40.54 N ATOM 253 CA LYS A 17 2.309 0.515 -19.430 1.00 74.43 C ATOM 254 C LYS A 17 1.097 1.115 -20.137 1.00 4.23 C ATOM 255 O LYS A 17 0.092 1.433 -19.503 1.00 21.11 O ATOM 256 CB LYS A 17 3.351 1.604 -19.167 1.00 14.15 C ATOM 257 CG LYS A 17 4.505 1.143 -18.294 1.00 63.12 C ATOM 258 CD LYS A 17 4.063 0.914 -16.859 1.00 31.23 C ATOM 259 CE LYS A 17 4.218 2.173 -16.020 1.00 1.11 C ATOM 260 NZ LYS A 17 2.990 3.014 -16.050 1.00 13.33 N ATOM 0 H LYS A 17 3.866 -0.411 -20.485 1.00 40.54 H new ATOM 0 HA LYS A 17 1.982 0.097 -18.478 1.00 74.43 H new ATOM 0 HB2 LYS A 17 3.745 1.956 -20.120 1.00 14.15 H new ATOM 0 HB3 LYS A 17 2.863 2.455 -18.691 1.00 14.15 H new ATOM 0 HG2 LYS A 17 4.922 0.221 -18.698 1.00 63.12 H new ATOM 0 HG3 LYS A 17 5.299 1.889 -18.316 1.00 63.12 H new ATOM 0 HD2 LYS A 17 3.022 0.592 -16.845 1.00 31.23 H new ATOM 0 HD3 LYS A 17 4.652 0.108 -16.420 1.00 31.23 H new ATOM 0 HE2 LYS A 17 4.444 1.897 -14.990 1.00 1.11 H new ATOM 0 HE3 LYS A 17 5.064 2.753 -16.388 1.00 1.11 H new ATOM 0 HZ1 LYS A 17 2.949 3.599 -15.191 1.00 13.33 H new ATOM 0 HZ2 LYS A 17 3.011 3.630 -16.888 1.00 13.33 H new ATOM 0 HZ3 LYS A 17 2.151 2.401 -16.092 1.00 13.33 H new ATOM 274 N ASN A 18 1.201 1.266 -21.453 1.00 54.51 N ATOM 275 CA ASN A 18 0.113 1.828 -22.246 1.00 13.04 C ATOM 276 C ASN A 18 -1.089 0.889 -22.262 1.00 73.52 C ATOM 277 O ASN A 18 -2.236 1.331 -22.198 1.00 4.05 O ATOM 278 CB ASN A 18 0.583 2.098 -23.676 1.00 52.33 C ATOM 279 CG ASN A 18 -0.571 2.196 -24.655 1.00 52.23 C ATOM 280 OD1 ASN A 18 -1.376 3.126 -24.592 1.00 61.35 O ATOM 281 ND2 ASN A 18 -0.657 1.234 -25.567 1.00 0.14 N ATOM 0 H ASN A 18 2.027 1.007 -21.993 1.00 54.51 H new ATOM 0 HA ASN A 18 -0.190 2.769 -21.787 1.00 13.04 H new ATOM 0 HB2 ASN A 18 1.155 3.026 -23.699 1.00 52.33 H new ATOM 0 HB3 ASN A 18 1.256 1.301 -23.991 1.00 52.33 H new ATOM 0 HD21 ASN A 18 -1.412 1.247 -26.252 1.00 0.14 H new ATOM 0 HD22 ASN A 18 0.032 0.482 -25.582 1.00 0.14 H new ATOM 288 N GLU A 19 -0.818 -0.410 -22.349 1.00 4.11 N ATOM 289 CA GLU A 19 -1.877 -1.411 -22.374 1.00 72.32 C ATOM 290 C GLU A 19 -2.640 -1.430 -21.052 1.00 65.34 C ATOM 291 O GLU A 19 -3.860 -1.592 -21.029 1.00 22.00 O ATOM 292 CB GLU A 19 -1.293 -2.797 -22.659 1.00 13.23 C ATOM 293 CG GLU A 19 -1.155 -3.107 -24.140 1.00 12.42 C ATOM 294 CD GLU A 19 -2.487 -3.403 -24.800 1.00 74.45 C ATOM 295 OE1 GLU A 19 -3.272 -2.453 -25.006 1.00 23.42 O ATOM 296 OE2 GLU A 19 -2.746 -4.585 -25.112 1.00 2.33 O ATOM 0 H GLU A 19 0.126 -0.793 -22.403 1.00 4.11 H new ATOM 0 HA GLU A 19 -2.572 -1.147 -23.171 1.00 72.32 H new ATOM 0 HB2 GLU A 19 -0.313 -2.873 -22.188 1.00 13.23 H new ATOM 0 HB3 GLU A 19 -1.929 -3.552 -22.196 1.00 13.23 H new ATOM 0 HG2 GLU A 19 -0.685 -2.261 -24.642 1.00 12.42 H new ATOM 0 HG3 GLU A 19 -0.492 -3.963 -24.268 1.00 12.42 H new ATOM 303 N PHE A 20 -1.911 -1.265 -19.953 1.00 41.45 N ATOM 304 CA PHE A 20 -2.517 -1.264 -18.627 1.00 70.02 C ATOM 305 C PHE A 20 -3.429 -0.054 -18.447 1.00 32.25 C ATOM 306 O PHE A 20 -4.571 -0.183 -18.005 1.00 74.35 O ATOM 307 CB PHE A 20 -1.433 -1.265 -17.548 1.00 23.13 C ATOM 308 CG PHE A 20 -0.381 -2.317 -17.755 1.00 60.14 C ATOM 309 CD1 PHE A 20 -0.685 -3.499 -18.413 1.00 5.53 C ATOM 310 CD2 PHE A 20 0.911 -2.124 -17.294 1.00 62.50 C ATOM 311 CE1 PHE A 20 0.281 -4.468 -18.604 1.00 62.54 C ATOM 312 CE2 PHE A 20 1.881 -3.091 -17.483 1.00 43.32 C ATOM 313 CZ PHE A 20 1.566 -4.264 -18.140 1.00 50.22 C ATOM 0 H PHE A 20 -0.900 -1.130 -19.955 1.00 41.45 H new ATOM 0 HA PHE A 20 -3.118 -2.168 -18.529 1.00 70.02 H new ATOM 0 HB2 PHE A 20 -0.956 -0.285 -17.523 1.00 23.13 H new ATOM 0 HB3 PHE A 20 -1.900 -1.417 -16.575 1.00 23.13 H new ATOM 0 HD1 PHE A 20 -1.687 -3.664 -18.780 1.00 5.53 H new ATOM 0 HD2 PHE A 20 1.163 -1.208 -16.781 1.00 62.50 H new ATOM 0 HE1 PHE A 20 0.031 -5.385 -19.116 1.00 62.54 H new ATOM 0 HE2 PHE A 20 2.884 -2.929 -17.117 1.00 43.32 H new ATOM 0 HZ PHE A 20 2.322 -5.020 -18.291 1.00 50.22 H new ATOM 323 N LYS A 21 -2.916 1.122 -18.790 1.00 52.41 N ATOM 324 CA LYS A 21 -3.683 2.357 -18.668 1.00 25.23 C ATOM 325 C LYS A 21 -4.806 2.404 -19.699 1.00 2.44 C ATOM 326 O LYS A 21 -5.866 2.978 -19.449 1.00 45.14 O ATOM 327 CB LYS A 21 -2.766 3.570 -18.840 1.00 64.25 C ATOM 328 CG LYS A 21 -3.276 4.821 -18.148 1.00 3.54 C ATOM 329 CD LYS A 21 -2.144 5.785 -17.832 1.00 62.05 C ATOM 330 CE LYS A 21 -2.584 6.859 -16.849 1.00 44.04 C ATOM 331 NZ LYS A 21 -3.323 7.961 -17.526 1.00 32.44 N ATOM 0 H LYS A 21 -1.972 1.247 -19.155 1.00 52.41 H new ATOM 0 HA LYS A 21 -4.127 2.383 -17.673 1.00 25.23 H new ATOM 0 HB2 LYS A 21 -1.778 3.326 -18.449 1.00 64.25 H new ATOM 0 HB3 LYS A 21 -2.646 3.776 -19.904 1.00 64.25 H new ATOM 0 HG2 LYS A 21 -4.010 5.316 -18.784 1.00 3.54 H new ATOM 0 HG3 LYS A 21 -3.788 4.545 -17.226 1.00 3.54 H new ATOM 0 HD2 LYS A 21 -1.301 5.234 -17.416 1.00 62.05 H new ATOM 0 HD3 LYS A 21 -1.796 6.254 -18.753 1.00 62.05 H new ATOM 0 HE2 LYS A 21 -3.219 6.413 -16.083 1.00 44.04 H new ATOM 0 HE3 LYS A 21 -1.710 7.266 -16.341 1.00 44.04 H new ATOM 0 HZ1 LYS A 21 -3.606 8.673 -16.822 1.00 32.44 H new ATOM 0 HZ2 LYS A 21 -2.709 8.404 -18.239 1.00 32.44 H new ATOM 0 HZ3 LYS A 21 -4.171 7.577 -17.990 1.00 32.44 H new ATOM 345 N ALA A 22 -4.567 1.797 -20.856 1.00 64.31 N ATOM 346 CA ALA A 22 -5.560 1.767 -21.923 1.00 4.22 C ATOM 347 C ALA A 22 -6.697 0.809 -21.588 1.00 31.55 C ATOM 348 O ALA A 22 -7.864 1.102 -21.843 1.00 55.12 O ATOM 349 CB ALA A 22 -4.907 1.375 -23.240 1.00 53.13 C ATOM 0 H ALA A 22 -3.694 1.319 -21.079 1.00 64.31 H new ATOM 0 HA ALA A 22 -5.981 2.767 -22.022 1.00 4.22 H new ATOM 0 HB1 ALA A 22 -5.660 1.356 -24.028 1.00 53.13 H new ATOM 0 HB2 ALA A 22 -4.134 2.101 -23.493 1.00 53.13 H new ATOM 0 HB3 ALA A 22 -4.458 0.386 -23.144 1.00 53.13 H new ATOM 355 N ALA A 23 -6.348 -0.339 -21.015 1.00 13.24 N ATOM 356 CA ALA A 23 -7.341 -1.340 -20.643 1.00 44.14 C ATOM 357 C ALA A 23 -8.033 -0.968 -19.336 1.00 62.53 C ATOM 358 O ALA A 23 -9.227 -1.212 -19.164 1.00 13.31 O ATOM 359 CB ALA A 23 -6.690 -2.710 -20.527 1.00 61.34 C ATOM 0 H ALA A 23 -5.386 -0.599 -20.799 1.00 13.24 H new ATOM 0 HA ALA A 23 -8.098 -1.374 -21.427 1.00 44.14 H new ATOM 0 HB1 ALA A 23 -7.442 -3.448 -20.249 1.00 61.34 H new ATOM 0 HB2 ALA A 23 -6.248 -2.985 -21.485 1.00 61.34 H new ATOM 0 HB3 ALA A 23 -5.912 -2.680 -19.764 1.00 61.34 H new ATOM 365 N PHE A 24 -7.275 -0.379 -18.418 1.00 0.33 N ATOM 366 CA PHE A 24 -7.816 0.025 -17.125 1.00 24.11 C ATOM 367 C PHE A 24 -8.966 1.012 -17.301 1.00 33.54 C ATOM 368 O PHE A 24 -9.930 1.001 -16.534 1.00 5.30 O ATOM 369 CB PHE A 24 -6.718 0.652 -16.263 1.00 12.23 C ATOM 370 CG PHE A 24 -7.229 1.245 -14.980 1.00 64.43 C ATOM 371 CD1 PHE A 24 -7.704 2.545 -14.944 1.00 14.33 C ATOM 372 CD2 PHE A 24 -7.232 0.501 -13.811 1.00 70.23 C ATOM 373 CE1 PHE A 24 -8.175 3.093 -13.765 1.00 51.53 C ATOM 374 CE2 PHE A 24 -7.702 1.043 -12.630 1.00 41.32 C ATOM 375 CZ PHE A 24 -8.173 2.342 -12.607 1.00 22.42 C ATOM 0 H PHE A 24 -6.285 -0.171 -18.545 1.00 0.33 H new ATOM 0 HA PHE A 24 -8.198 -0.865 -16.625 1.00 24.11 H new ATOM 0 HB2 PHE A 24 -5.971 -0.107 -16.031 1.00 12.23 H new ATOM 0 HB3 PHE A 24 -6.215 1.429 -16.838 1.00 12.23 H new ATOM 0 HD1 PHE A 24 -7.707 3.138 -15.847 1.00 14.33 H new ATOM 0 HD2 PHE A 24 -6.863 -0.514 -13.823 1.00 70.23 H new ATOM 0 HE1 PHE A 24 -8.544 4.108 -13.750 1.00 51.53 H new ATOM 0 HE2 PHE A 24 -7.701 0.452 -11.726 1.00 41.32 H new ATOM 0 HZ PHE A 24 -8.539 2.769 -11.685 1.00 22.42 H new ATOM 385 N ASP A 25 -8.858 1.863 -18.315 1.00 21.33 N ATOM 386 CA ASP A 25 -9.889 2.856 -18.593 1.00 3.25 C ATOM 387 C ASP A 25 -11.179 2.186 -19.055 1.00 43.12 C ATOM 388 O ASP A 25 -12.261 2.764 -18.952 1.00 51.02 O ATOM 389 CB ASP A 25 -9.403 3.843 -19.655 1.00 44.20 C ATOM 390 CG ASP A 25 -10.301 5.059 -19.770 1.00 73.34 C ATOM 391 OD1 ASP A 25 -11.028 5.353 -18.799 1.00 1.23 O ATOM 392 OD2 ASP A 25 -10.279 5.715 -20.833 1.00 3.01 O ATOM 0 H ASP A 25 -8.067 1.885 -18.958 1.00 21.33 H new ATOM 0 HA ASP A 25 -10.094 3.399 -17.670 1.00 3.25 H new ATOM 0 HB2 ASP A 25 -8.390 4.165 -19.412 1.00 44.20 H new ATOM 0 HB3 ASP A 25 -9.354 3.339 -20.620 1.00 44.20 H new ATOM 397 N ILE A 26 -11.055 0.966 -19.565 1.00 72.45 N ATOM 398 CA ILE A 26 -12.211 0.218 -20.044 1.00 33.43 C ATOM 399 C ILE A 26 -13.067 -0.274 -18.881 1.00 72.13 C ATOM 400 O ILE A 26 -14.292 -0.148 -18.901 1.00 62.43 O ATOM 401 CB ILE A 26 -11.786 -0.990 -20.900 1.00 3.12 C ATOM 402 CG1 ILE A 26 -10.682 -0.585 -21.879 1.00 1.11 C ATOM 403 CG2 ILE A 26 -12.983 -1.557 -21.648 1.00 21.12 C ATOM 404 CD1 ILE A 26 -11.058 0.583 -22.764 1.00 61.31 C ATOM 0 H ILE A 26 -10.166 0.474 -19.657 1.00 72.45 H new ATOM 0 HA ILE A 26 -12.795 0.901 -20.660 1.00 33.43 H new ATOM 0 HB ILE A 26 -11.395 -1.765 -20.240 1.00 3.12 H new ATOM 0 HG12 ILE A 26 -9.784 -0.330 -21.316 1.00 1.11 H new ATOM 0 HG13 ILE A 26 -10.432 -1.440 -22.507 1.00 1.11 H new ATOM 0 HG21 ILE A 26 -12.666 -2.410 -22.248 1.00 21.12 H new ATOM 0 HG22 ILE A 26 -13.740 -1.878 -20.933 1.00 21.12 H new ATOM 0 HG23 ILE A 26 -13.401 -0.790 -22.300 1.00 21.12 H new ATOM 0 HD11 ILE A 26 -10.229 0.815 -23.432 1.00 61.31 H new ATOM 0 HD12 ILE A 26 -11.938 0.324 -23.354 1.00 61.31 H new ATOM 0 HD13 ILE A 26 -11.279 1.452 -22.145 1.00 61.31 H new ATOM 416 N PHE A 27 -12.414 -0.833 -17.868 1.00 32.01 N ATOM 417 CA PHE A 27 -13.115 -1.343 -16.695 1.00 60.12 C ATOM 418 C PHE A 27 -13.892 -0.229 -15.999 1.00 24.54 C ATOM 419 O PHE A 27 -15.054 -0.403 -15.632 1.00 22.32 O ATOM 420 CB PHE A 27 -12.123 -1.977 -15.718 1.00 11.03 C ATOM 421 CG PHE A 27 -11.699 -3.364 -16.109 1.00 43.52 C ATOM 422 CD1 PHE A 27 -11.106 -3.600 -17.339 1.00 50.41 C ATOM 423 CD2 PHE A 27 -11.893 -4.431 -15.247 1.00 61.04 C ATOM 424 CE1 PHE A 27 -10.714 -4.874 -17.702 1.00 61.34 C ATOM 425 CE2 PHE A 27 -11.502 -5.708 -15.605 1.00 55.30 C ATOM 426 CZ PHE A 27 -10.913 -5.930 -16.834 1.00 54.25 C ATOM 0 H PHE A 27 -11.401 -0.945 -17.835 1.00 32.01 H new ATOM 0 HA PHE A 27 -13.823 -2.103 -17.027 1.00 60.12 H new ATOM 0 HB2 PHE A 27 -11.240 -1.342 -15.647 1.00 11.03 H new ATOM 0 HB3 PHE A 27 -12.573 -2.010 -14.726 1.00 11.03 H new ATOM 0 HD1 PHE A 27 -10.948 -2.778 -18.022 1.00 50.41 H new ATOM 0 HD2 PHE A 27 -12.355 -4.264 -14.285 1.00 61.04 H new ATOM 0 HE1 PHE A 27 -10.252 -5.044 -18.663 1.00 61.34 H new ATOM 0 HE2 PHE A 27 -11.657 -6.531 -14.924 1.00 55.30 H new ATOM 0 HZ PHE A 27 -10.609 -6.927 -17.116 1.00 54.25 H new ATOM 436 N VAL A 28 -13.240 0.915 -15.819 1.00 52.31 N ATOM 437 CA VAL A 28 -13.868 2.058 -15.167 1.00 53.34 C ATOM 438 C VAL A 28 -14.647 2.903 -16.170 1.00 34.44 C ATOM 439 O VAL A 28 -15.363 3.831 -15.792 1.00 50.30 O ATOM 440 CB VAL A 28 -12.825 2.947 -14.465 1.00 42.32 C ATOM 441 CG1 VAL A 28 -11.711 3.327 -15.429 1.00 54.44 C ATOM 442 CG2 VAL A 28 -13.486 4.189 -13.886 1.00 34.41 C ATOM 0 H VAL A 28 -12.277 1.075 -16.115 1.00 52.31 H new ATOM 0 HA VAL A 28 -14.555 1.659 -14.421 1.00 53.34 H new ATOM 0 HB VAL A 28 -12.385 2.381 -13.644 1.00 42.32 H new ATOM 0 HG11 VAL A 28 -10.984 3.955 -14.915 1.00 54.44 H new ATOM 0 HG12 VAL A 28 -11.219 2.424 -15.791 1.00 54.44 H new ATOM 0 HG13 VAL A 28 -12.131 3.874 -16.273 1.00 54.44 H new ATOM 0 HG21 VAL A 28 -12.734 4.805 -13.394 1.00 34.41 H new ATOM 0 HG22 VAL A 28 -13.954 4.759 -14.688 1.00 34.41 H new ATOM 0 HG23 VAL A 28 -14.244 3.893 -13.161 1.00 34.41 H new ATOM 452 N LEU A 29 -14.504 2.574 -17.449 1.00 13.22 N ATOM 453 CA LEU A 29 -15.195 3.302 -18.507 1.00 54.14 C ATOM 454 C LEU A 29 -16.686 3.416 -18.206 1.00 53.11 C ATOM 455 O LEU A 29 -17.359 4.327 -18.687 1.00 13.15 O ATOM 456 CB LEU A 29 -14.987 2.605 -19.853 1.00 32.52 C ATOM 457 CG LEU A 29 -16.183 1.820 -20.394 1.00 41.02 C ATOM 458 CD1 LEU A 29 -17.079 2.721 -21.229 1.00 43.55 C ATOM 459 CD2 LEU A 29 -15.712 0.627 -21.213 1.00 5.02 C ATOM 0 H LEU A 29 -13.916 1.808 -17.778 1.00 13.22 H new ATOM 0 HA LEU A 29 -14.775 4.307 -18.556 1.00 54.14 H new ATOM 0 HB2 LEU A 29 -14.709 3.358 -20.590 1.00 32.52 H new ATOM 0 HB3 LEU A 29 -14.142 1.923 -19.760 1.00 32.52 H new ATOM 0 HG LEU A 29 -16.762 1.449 -19.548 1.00 41.02 H new ATOM 0 HD11 LEU A 29 -17.925 2.145 -21.605 1.00 43.55 H new ATOM 0 HD12 LEU A 29 -17.445 3.542 -20.613 1.00 43.55 H new ATOM 0 HD13 LEU A 29 -16.511 3.122 -22.068 1.00 43.55 H new ATOM 0 HD21 LEU A 29 -16.576 0.080 -21.590 1.00 5.02 H new ATOM 0 HD22 LEU A 29 -15.110 0.976 -22.052 1.00 5.02 H new ATOM 0 HD23 LEU A 29 -15.112 -0.031 -20.585 1.00 5.02 H new ATOM 471 N GLY A 30 -17.196 2.485 -17.405 1.00 11.30 N ATOM 472 CA GLY A 30 -18.603 2.501 -17.051 1.00 75.44 C ATOM 473 C GLY A 30 -18.876 3.300 -15.793 1.00 14.02 C ATOM 474 O GLY A 30 -19.975 3.821 -15.607 1.00 15.33 O ATOM 0 H GLY A 30 -16.660 1.720 -16.995 1.00 11.30 H new ATOM 0 HA2 GLY A 30 -19.177 2.922 -17.876 1.00 75.44 H new ATOM 0 HA3 GLY A 30 -18.950 1.478 -16.910 1.00 75.44 H new ATOM 478 N ALA A 31 -17.874 3.396 -14.925 1.00 70.44 N ATOM 479 CA ALA A 31 -18.011 4.137 -13.678 1.00 52.42 C ATOM 480 C ALA A 31 -17.995 5.641 -13.929 1.00 41.43 C ATOM 481 O ALA A 31 -17.377 6.113 -14.883 1.00 1.52 O ATOM 482 CB ALA A 31 -16.904 3.750 -12.709 1.00 41.13 C ATOM 0 H ALA A 31 -16.958 2.969 -15.063 1.00 70.44 H new ATOM 0 HA ALA A 31 -18.973 3.879 -13.235 1.00 52.42 H new ATOM 0 HB1 ALA A 31 -17.019 4.312 -11.782 1.00 41.13 H new ATOM 0 HB2 ALA A 31 -16.963 2.683 -12.496 1.00 41.13 H new ATOM 0 HB3 ALA A 31 -15.935 3.978 -13.153 1.00 41.13 H new ATOM 488 N GLU A 32 -18.679 6.388 -13.068 1.00 2.12 N ATOM 489 CA GLU A 32 -18.743 7.839 -13.199 1.00 31.14 C ATOM 490 C GLU A 32 -17.901 8.520 -12.124 1.00 30.04 C ATOM 491 O GLU A 32 -17.904 9.745 -12.001 1.00 43.04 O ATOM 492 CB GLU A 32 -20.193 8.318 -13.105 1.00 74.15 C ATOM 493 CG GLU A 32 -20.911 7.846 -11.852 1.00 60.32 C ATOM 494 CD GLU A 32 -22.275 8.487 -11.684 1.00 42.02 C ATOM 495 OE1 GLU A 32 -22.877 8.875 -12.707 1.00 51.21 O ATOM 496 OE2 GLU A 32 -22.739 8.601 -10.531 1.00 34.01 O ATOM 0 H GLU A 32 -19.196 6.013 -12.273 1.00 2.12 H new ATOM 0 HA GLU A 32 -18.341 8.108 -14.176 1.00 31.14 H new ATOM 0 HB2 GLU A 32 -20.209 9.407 -13.134 1.00 74.15 H new ATOM 0 HB3 GLU A 32 -20.740 7.968 -13.980 1.00 74.15 H new ATOM 0 HG2 GLU A 32 -21.025 6.763 -11.890 1.00 60.32 H new ATOM 0 HG3 GLU A 32 -20.298 8.072 -10.980 1.00 60.32 H new ATOM 503 N ASP A 33 -17.182 7.717 -11.347 1.00 14.13 N ATOM 504 CA ASP A 33 -16.335 8.241 -10.282 1.00 1.02 C ATOM 505 C ASP A 33 -14.860 8.107 -10.646 1.00 45.52 C ATOM 506 O ASP A 33 -14.039 8.945 -10.273 1.00 32.34 O ATOM 507 CB ASP A 33 -16.617 7.508 -8.969 1.00 52.52 C ATOM 508 CG ASP A 33 -16.318 8.363 -7.753 1.00 52.23 C ATOM 509 OD1 ASP A 33 -15.457 9.261 -7.857 1.00 52.53 O ATOM 510 OD2 ASP A 33 -16.945 8.133 -6.697 1.00 45.34 O ATOM 0 H ASP A 33 -17.169 6.701 -11.435 1.00 14.13 H new ATOM 0 HA ASP A 33 -16.566 9.299 -10.155 1.00 1.02 H new ATOM 0 HB2 ASP A 33 -17.662 7.201 -8.945 1.00 52.52 H new ATOM 0 HB3 ASP A 33 -16.016 6.599 -8.927 1.00 52.52 H new ATOM 515 N GLY A 34 -14.529 7.047 -11.378 1.00 12.43 N ATOM 516 CA GLY A 34 -13.153 6.823 -11.779 1.00 62.21 C ATOM 517 C GLY A 34 -12.491 5.715 -10.985 1.00 24.42 C ATOM 518 O GLY A 34 -11.332 5.835 -10.586 1.00 65.21 O ATOM 0 H GLY A 34 -15.190 6.340 -11.700 1.00 12.43 H new ATOM 0 HA2 GLY A 34 -13.123 6.574 -12.840 1.00 62.21 H new ATOM 0 HA3 GLY A 34 -12.586 7.745 -11.652 1.00 62.21 H new ATOM 522 N CYS A 35 -13.227 4.634 -10.753 1.00 33.12 N ATOM 523 CA CYS A 35 -12.705 3.500 -9.998 1.00 12.20 C ATOM 524 C CYS A 35 -13.371 2.201 -10.438 1.00 73.34 C ATOM 525 O CYS A 35 -14.285 2.209 -11.264 1.00 21.11 O ATOM 526 CB CYS A 35 -12.921 3.716 -8.499 1.00 70.34 C ATOM 527 SG CYS A 35 -11.607 4.660 -7.693 1.00 11.33 S ATOM 0 H CYS A 35 -14.187 4.519 -11.077 1.00 33.12 H new ATOM 0 HA CYS A 35 -11.636 3.424 -10.197 1.00 12.20 H new ATOM 0 HB2 CYS A 35 -13.869 4.233 -8.350 1.00 70.34 H new ATOM 0 HB3 CYS A 35 -13.008 2.745 -8.012 1.00 70.34 H new ATOM 0 HG CYS A 35 -10.633 3.861 -7.373 1.00 11.33 H new ATOM 533 N ILE A 36 -12.907 1.086 -9.884 1.00 3.34 N ATOM 534 CA ILE A 36 -13.457 -0.221 -10.220 1.00 12.22 C ATOM 535 C ILE A 36 -13.820 -1.004 -8.963 1.00 21.32 C ATOM 536 O ILE A 36 -12.944 -1.436 -8.214 1.00 22.31 O ATOM 537 CB ILE A 36 -12.468 -1.049 -11.060 1.00 25.41 C ATOM 538 CG1 ILE A 36 -12.097 -0.297 -12.340 1.00 24.14 C ATOM 539 CG2 ILE A 36 -13.064 -2.409 -11.392 1.00 62.02 C ATOM 540 CD1 ILE A 36 -10.611 -0.287 -12.625 1.00 52.44 C ATOM 0 H ILE A 36 -12.151 1.062 -9.200 1.00 3.34 H new ATOM 0 HA ILE A 36 -14.358 -0.043 -10.807 1.00 12.22 H new ATOM 0 HB ILE A 36 -11.560 -1.204 -10.477 1.00 25.41 H new ATOM 0 HG12 ILE A 36 -12.617 -0.752 -13.183 1.00 24.14 H new ATOM 0 HG13 ILE A 36 -12.451 0.731 -12.264 1.00 24.14 H new ATOM 0 HG21 ILE A 36 -12.353 -2.983 -11.986 1.00 62.02 H new ATOM 0 HG22 ILE A 36 -13.282 -2.946 -10.469 1.00 62.02 H new ATOM 0 HG23 ILE A 36 -13.985 -2.274 -11.959 1.00 62.02 H new ATOM 0 HD11 ILE A 36 -10.421 0.263 -13.547 1.00 52.44 H new ATOM 0 HD12 ILE A 36 -10.086 0.194 -11.800 1.00 52.44 H new ATOM 0 HD13 ILE A 36 -10.254 -1.311 -12.734 1.00 52.44 H new ATOM 552 N SER A 37 -15.117 -1.185 -8.739 1.00 35.32 N ATOM 553 CA SER A 37 -15.597 -1.915 -7.571 1.00 70.52 C ATOM 554 C SER A 37 -15.854 -3.380 -7.914 1.00 52.30 C ATOM 555 O SER A 37 -16.179 -3.716 -9.053 1.00 41.35 O ATOM 556 CB SER A 37 -16.877 -1.274 -7.032 1.00 41.32 C ATOM 557 OG SER A 37 -17.730 -0.871 -8.090 1.00 2.23 O ATOM 0 H SER A 37 -15.855 -0.836 -9.351 1.00 35.32 H new ATOM 0 HA SER A 37 -14.825 -1.869 -6.803 1.00 70.52 H new ATOM 0 HB2 SER A 37 -17.399 -1.982 -6.389 1.00 41.32 H new ATOM 0 HB3 SER A 37 -16.624 -0.411 -6.416 1.00 41.32 H new ATOM 0 HG SER A 37 -18.542 -0.466 -7.719 1.00 2.23 H new ATOM 563 N THR A 38 -15.707 -4.249 -6.919 1.00 4.11 N ATOM 564 CA THR A 38 -15.921 -5.677 -7.113 1.00 71.24 C ATOM 565 C THR A 38 -17.268 -5.946 -7.776 1.00 4.24 C ATOM 566 O THR A 38 -17.428 -6.923 -8.508 1.00 5.42 O ATOM 567 CB THR A 38 -15.857 -6.442 -5.778 1.00 0.12 C ATOM 568 OG1 THR A 38 -16.356 -7.773 -5.951 1.00 64.11 O ATOM 569 CG2 THR A 38 -16.666 -5.727 -4.706 1.00 21.52 C ATOM 0 H THR A 38 -15.440 -3.988 -5.970 1.00 4.11 H new ATOM 0 HA THR A 38 -15.121 -6.030 -7.764 1.00 71.24 H new ATOM 0 HB THR A 38 -14.816 -6.484 -5.458 1.00 0.12 H new ATOM 0 HG1 THR A 38 -16.757 -8.083 -5.113 1.00 64.11 H new ATOM 0 HG21 THR A 38 -16.606 -6.286 -3.772 1.00 21.52 H new ATOM 0 HG22 THR A 38 -16.265 -4.725 -4.556 1.00 21.52 H new ATOM 0 HG23 THR A 38 -17.707 -5.658 -5.021 1.00 21.52 H new ATOM 577 N LYS A 39 -18.235 -5.073 -7.515 1.00 4.34 N ATOM 578 CA LYS A 39 -19.568 -5.214 -8.087 1.00 13.42 C ATOM 579 C LYS A 39 -19.519 -5.132 -9.609 1.00 64.41 C ATOM 580 O LYS A 39 -20.096 -5.969 -10.303 1.00 4.01 O ATOM 581 CB LYS A 39 -20.498 -4.129 -7.538 1.00 34.42 C ATOM 582 CG LYS A 39 -21.973 -4.459 -7.690 1.00 52.01 C ATOM 583 CD LYS A 39 -22.848 -3.256 -7.381 1.00 53.34 C ATOM 584 CE LYS A 39 -22.707 -2.821 -5.931 1.00 22.23 C ATOM 585 NZ LYS A 39 -23.869 -2.006 -5.480 1.00 45.21 N ATOM 0 H LYS A 39 -18.120 -4.260 -6.910 1.00 4.34 H new ATOM 0 HA LYS A 39 -19.955 -6.193 -7.806 1.00 13.42 H new ATOM 0 HB2 LYS A 39 -20.276 -3.972 -6.482 1.00 34.42 H new ATOM 0 HB3 LYS A 39 -20.290 -3.190 -8.051 1.00 34.42 H new ATOM 0 HG2 LYS A 39 -22.168 -4.800 -8.707 1.00 52.01 H new ATOM 0 HG3 LYS A 39 -22.234 -5.281 -7.023 1.00 52.01 H new ATOM 0 HD2 LYS A 39 -22.577 -2.429 -8.038 1.00 53.34 H new ATOM 0 HD3 LYS A 39 -23.890 -3.500 -7.589 1.00 53.34 H new ATOM 0 HE2 LYS A 39 -22.613 -3.701 -5.295 1.00 22.23 H new ATOM 0 HE3 LYS A 39 -21.790 -2.243 -5.813 1.00 22.23 H new ATOM 0 HZ1 LYS A 39 -23.734 -1.729 -4.487 1.00 45.21 H new ATOM 0 HZ2 LYS A 39 -23.944 -1.153 -6.070 1.00 45.21 H new ATOM 0 HZ3 LYS A 39 -24.741 -2.566 -5.568 1.00 45.21 H new ATOM 599 N GLU A 40 -18.824 -4.121 -10.121 1.00 54.21 N ATOM 600 CA GLU A 40 -18.700 -3.932 -11.562 1.00 24.54 C ATOM 601 C GLU A 40 -17.666 -4.890 -12.148 1.00 50.21 C ATOM 602 O GLU A 40 -17.839 -5.409 -13.252 1.00 12.42 O ATOM 603 CB GLU A 40 -18.309 -2.487 -11.877 1.00 72.15 C ATOM 604 CG GLU A 40 -19.187 -1.455 -11.189 1.00 71.34 C ATOM 605 CD GLU A 40 -19.076 -0.081 -11.820 1.00 43.20 C ATOM 606 OE1 GLU A 40 -19.201 0.016 -13.059 1.00 12.35 O ATOM 607 OE2 GLU A 40 -18.863 0.898 -11.074 1.00 51.00 O ATOM 0 H GLU A 40 -18.339 -3.421 -9.560 1.00 54.21 H new ATOM 0 HA GLU A 40 -19.667 -4.146 -12.016 1.00 24.54 H new ATOM 0 HB2 GLU A 40 -17.273 -2.327 -11.579 1.00 72.15 H new ATOM 0 HB3 GLU A 40 -18.358 -2.333 -12.955 1.00 72.15 H new ATOM 0 HG2 GLU A 40 -20.225 -1.785 -11.225 1.00 71.34 H new ATOM 0 HG3 GLU A 40 -18.910 -1.391 -10.137 1.00 71.34 H new ATOM 614 N LEU A 41 -16.591 -5.119 -11.402 1.00 43.15 N ATOM 615 CA LEU A 41 -15.528 -6.013 -11.847 1.00 63.44 C ATOM 616 C LEU A 41 -16.047 -7.439 -12.006 1.00 45.14 C ATOM 617 O LEU A 41 -15.722 -8.124 -12.975 1.00 24.30 O ATOM 618 CB LEU A 41 -14.365 -5.990 -10.854 1.00 0.44 C ATOM 619 CG LEU A 41 -13.193 -6.920 -11.169 1.00 34.21 C ATOM 620 CD1 LEU A 41 -12.876 -6.893 -12.656 1.00 23.51 C ATOM 621 CD2 LEU A 41 -11.969 -6.532 -10.353 1.00 50.41 C ATOM 0 H LEU A 41 -16.432 -4.698 -10.487 1.00 43.15 H new ATOM 0 HA LEU A 41 -15.176 -5.663 -12.817 1.00 63.44 H new ATOM 0 HB2 LEU A 41 -13.986 -4.970 -10.793 1.00 0.44 H new ATOM 0 HB3 LEU A 41 -14.751 -6.247 -9.867 1.00 0.44 H new ATOM 0 HG LEU A 41 -13.477 -7.937 -10.897 1.00 34.21 H new ATOM 0 HD11 LEU A 41 -12.039 -7.561 -12.862 1.00 23.51 H new ATOM 0 HD12 LEU A 41 -13.749 -7.221 -13.220 1.00 23.51 H new ATOM 0 HD13 LEU A 41 -12.612 -5.878 -12.953 1.00 23.51 H new ATOM 0 HD21 LEU A 41 -11.145 -7.205 -10.591 1.00 50.41 H new ATOM 0 HD22 LEU A 41 -11.682 -5.508 -10.592 1.00 50.41 H new ATOM 0 HD23 LEU A 41 -12.202 -6.605 -9.291 1.00 50.41 H new ATOM 633 N GLY A 42 -16.857 -7.879 -11.049 1.00 14.44 N ATOM 634 CA GLY A 42 -17.410 -9.219 -11.102 1.00 70.42 C ATOM 635 C GLY A 42 -18.150 -9.490 -12.397 1.00 61.31 C ATOM 636 O GLY A 42 -18.289 -10.641 -12.813 1.00 14.23 O ATOM 0 H GLY A 42 -17.140 -7.331 -10.237 1.00 14.44 H new ATOM 0 HA2 GLY A 42 -16.605 -9.946 -10.988 1.00 70.42 H new ATOM 0 HA3 GLY A 42 -18.090 -9.362 -10.262 1.00 70.42 H new ATOM 640 N LYS A 43 -18.628 -8.428 -13.037 1.00 24.31 N ATOM 641 CA LYS A 43 -19.358 -8.555 -14.292 1.00 71.44 C ATOM 642 C LYS A 43 -18.423 -8.959 -15.428 1.00 22.34 C ATOM 643 O LYS A 43 -18.669 -9.941 -16.129 1.00 0.22 O ATOM 644 CB LYS A 43 -20.055 -7.237 -14.636 1.00 74.23 C ATOM 645 CG LYS A 43 -21.143 -6.849 -13.649 1.00 43.24 C ATOM 646 CD LYS A 43 -22.222 -7.915 -13.560 1.00 43.14 C ATOM 647 CE LYS A 43 -22.877 -8.159 -14.911 1.00 63.23 C ATOM 648 NZ LYS A 43 -24.296 -8.588 -14.770 1.00 63.22 N ATOM 0 H LYS A 43 -18.522 -7.469 -12.706 1.00 24.31 H new ATOM 0 HA LYS A 43 -20.109 -9.335 -14.168 1.00 71.44 H new ATOM 0 HB2 LYS A 43 -19.311 -6.441 -14.675 1.00 74.23 H new ATOM 0 HB3 LYS A 43 -20.491 -7.315 -15.632 1.00 74.23 H new ATOM 0 HG2 LYS A 43 -20.703 -6.693 -12.664 1.00 43.24 H new ATOM 0 HG3 LYS A 43 -21.590 -5.902 -13.952 1.00 43.24 H new ATOM 0 HD2 LYS A 43 -21.787 -8.844 -13.192 1.00 43.14 H new ATOM 0 HD3 LYS A 43 -22.979 -7.609 -12.838 1.00 43.14 H new ATOM 0 HE2 LYS A 43 -22.831 -7.248 -15.507 1.00 63.23 H new ATOM 0 HE3 LYS A 43 -22.319 -8.923 -15.453 1.00 63.23 H new ATOM 0 HZ1 LYS A 43 -24.707 -8.744 -15.713 1.00 63.22 H new ATOM 0 HZ2 LYS A 43 -24.339 -9.471 -14.223 1.00 63.22 H new ATOM 0 HZ3 LYS A 43 -24.835 -7.848 -14.276 1.00 63.22 H new ATOM 662 N VAL A 44 -17.348 -8.197 -15.603 1.00 11.24 N ATOM 663 CA VAL A 44 -16.374 -8.477 -16.651 1.00 55.01 C ATOM 664 C VAL A 44 -15.912 -9.929 -16.598 1.00 1.32 C ATOM 665 O VAL A 44 -15.514 -10.501 -17.612 1.00 33.41 O ATOM 666 CB VAL A 44 -15.147 -7.554 -16.538 1.00 4.10 C ATOM 667 CG1 VAL A 44 -14.083 -8.185 -15.652 1.00 74.53 C ATOM 668 CG2 VAL A 44 -14.586 -7.242 -17.917 1.00 55.34 C ATOM 0 H VAL A 44 -17.130 -7.380 -15.032 1.00 11.24 H new ATOM 0 HA VAL A 44 -16.871 -8.292 -17.603 1.00 55.01 H new ATOM 0 HB VAL A 44 -15.461 -6.617 -16.078 1.00 4.10 H new ATOM 0 HG11 VAL A 44 -13.224 -7.518 -15.584 1.00 74.53 H new ATOM 0 HG12 VAL A 44 -14.492 -8.353 -14.656 1.00 74.53 H new ATOM 0 HG13 VAL A 44 -13.770 -9.137 -16.081 1.00 74.53 H new ATOM 0 HG21 VAL A 44 -13.719 -6.588 -17.818 1.00 55.34 H new ATOM 0 HG22 VAL A 44 -14.287 -8.169 -18.407 1.00 55.34 H new ATOM 0 HG23 VAL A 44 -15.349 -6.745 -18.516 1.00 55.34 H new ATOM 678 N MET A 45 -15.967 -10.518 -15.408 1.00 73.31 N ATOM 679 CA MET A 45 -15.555 -11.905 -15.223 1.00 13.10 C ATOM 680 C MET A 45 -16.253 -12.818 -16.227 1.00 4.24 C ATOM 681 O MET A 45 -15.708 -13.847 -16.626 1.00 32.43 O ATOM 682 CB MET A 45 -15.864 -12.365 -13.797 1.00 73.10 C ATOM 683 CG MET A 45 -15.355 -11.413 -12.727 1.00 42.23 C ATOM 684 SD MET A 45 -13.601 -11.036 -12.911 1.00 30.32 S ATOM 685 CE MET A 45 -12.947 -12.656 -13.307 1.00 4.03 C ATOM 0 H MET A 45 -16.292 -10.057 -14.558 1.00 73.31 H new ATOM 0 HA MET A 45 -14.480 -11.964 -15.391 1.00 13.10 H new ATOM 0 HB2 MET A 45 -16.942 -12.479 -13.687 1.00 73.10 H new ATOM 0 HB3 MET A 45 -15.421 -13.348 -13.637 1.00 73.10 H new ATOM 0 HG2 MET A 45 -15.928 -10.487 -12.768 1.00 42.23 H new ATOM 0 HG3 MET A 45 -15.527 -11.851 -11.744 1.00 42.23 H new ATOM 0 HE1 MET A 45 -11.858 -12.626 -13.276 1.00 4.03 H new ATOM 0 HE2 MET A 45 -13.311 -13.383 -12.581 1.00 4.03 H new ATOM 0 HE3 MET A 45 -13.274 -12.946 -14.306 1.00 4.03 H new ATOM 695 N ARG A 46 -17.459 -12.434 -16.630 1.00 52.02 N ATOM 696 CA ARG A 46 -18.231 -13.219 -17.586 1.00 22.21 C ATOM 697 C ARG A 46 -17.519 -13.287 -18.934 1.00 30.41 C ATOM 698 O ARG A 46 -17.565 -14.308 -19.620 1.00 52.22 O ATOM 699 CB ARG A 46 -19.626 -12.618 -17.764 1.00 12.22 C ATOM 700 CG ARG A 46 -19.627 -11.288 -18.500 1.00 60.34 C ATOM 701 CD ARG A 46 -20.780 -10.404 -18.052 1.00 5.43 C ATOM 702 NE ARG A 46 -21.645 -10.026 -19.166 1.00 12.45 N ATOM 703 CZ ARG A 46 -22.458 -8.976 -19.141 1.00 14.52 C ATOM 704 NH1 ARG A 46 -22.516 -8.203 -18.065 1.00 13.02 N ATOM 705 NH2 ARG A 46 -23.215 -8.696 -20.194 1.00 75.21 N ATOM 0 H ARG A 46 -17.923 -11.584 -16.310 1.00 52.02 H new ATOM 0 HA ARG A 46 -18.327 -14.231 -17.193 1.00 22.21 H new ATOM 0 HB2 ARG A 46 -20.250 -13.326 -18.309 1.00 12.22 H new ATOM 0 HB3 ARG A 46 -20.081 -12.481 -16.783 1.00 12.22 H new ATOM 0 HG2 ARG A 46 -18.683 -10.773 -18.324 1.00 60.34 H new ATOM 0 HG3 ARG A 46 -19.698 -11.465 -19.573 1.00 60.34 H new ATOM 0 HD2 ARG A 46 -21.368 -10.929 -17.299 1.00 5.43 H new ATOM 0 HD3 ARG A 46 -20.385 -9.505 -17.579 1.00 5.43 H new ATOM 0 HE ARG A 46 -21.624 -10.599 -20.009 1.00 12.45 H new ATOM 0 HH11 ARG A 46 -21.935 -8.414 -17.253 1.00 13.02 H new ATOM 0 HH12 ARG A 46 -23.141 -7.397 -18.049 1.00 13.02 H new ATOM 0 HH21 ARG A 46 -23.173 -9.287 -21.024 1.00 75.21 H new ATOM 0 HH22 ARG A 46 -23.839 -7.889 -20.174 1.00 75.21 H new ATOM 719 N MET A 47 -16.862 -12.194 -19.306 1.00 40.22 N ATOM 720 CA MET A 47 -16.140 -12.130 -20.572 1.00 30.23 C ATOM 721 C MET A 47 -14.941 -13.073 -20.562 1.00 33.42 C ATOM 722 O MET A 47 -14.659 -13.745 -21.555 1.00 21.21 O ATOM 723 CB MET A 47 -15.675 -10.699 -20.847 1.00 12.22 C ATOM 724 CG MET A 47 -16.807 -9.751 -21.207 1.00 15.31 C ATOM 725 SD MET A 47 -17.573 -10.153 -22.789 1.00 53.40 S ATOM 726 CE MET A 47 -16.446 -9.348 -23.925 1.00 12.21 C ATOM 0 H MET A 47 -16.814 -11.341 -18.749 1.00 40.22 H new ATOM 0 HA MET A 47 -16.819 -12.442 -21.365 1.00 30.23 H new ATOM 0 HB2 MET A 47 -15.159 -10.318 -19.966 1.00 12.22 H new ATOM 0 HB3 MET A 47 -14.950 -10.711 -21.661 1.00 12.22 H new ATOM 0 HG2 MET A 47 -17.564 -9.781 -20.423 1.00 15.31 H new ATOM 0 HG3 MET A 47 -16.424 -8.731 -21.242 1.00 15.31 H new ATOM 0 HE1 MET A 47 -16.786 -9.507 -24.948 1.00 12.21 H new ATOM 0 HE2 MET A 47 -16.418 -8.279 -23.713 1.00 12.21 H new ATOM 0 HE3 MET A 47 -15.447 -9.768 -23.805 1.00 12.21 H new ATOM 736 N LEU A 48 -14.239 -13.119 -19.435 1.00 35.01 N ATOM 737 CA LEU A 48 -13.070 -13.980 -19.296 1.00 73.30 C ATOM 738 C LEU A 48 -13.476 -15.451 -19.280 1.00 42.34 C ATOM 739 O LEU A 48 -12.685 -16.327 -19.627 1.00 20.01 O ATOM 740 CB LEU A 48 -12.308 -13.636 -18.015 1.00 70.12 C ATOM 741 CG LEU A 48 -12.211 -12.150 -17.671 1.00 13.54 C ATOM 742 CD1 LEU A 48 -11.330 -11.941 -16.449 1.00 1.00 C ATOM 743 CD2 LEU A 48 -11.677 -11.361 -18.857 1.00 41.31 C ATOM 0 H LEU A 48 -14.459 -12.570 -18.604 1.00 35.01 H new ATOM 0 HA LEU A 48 -12.420 -13.810 -20.155 1.00 73.30 H new ATOM 0 HB2 LEU A 48 -12.787 -14.151 -17.182 1.00 70.12 H new ATOM 0 HB3 LEU A 48 -11.297 -14.036 -18.099 1.00 70.12 H new ATOM 0 HG LEU A 48 -13.211 -11.785 -17.439 1.00 13.54 H new ATOM 0 HD11 LEU A 48 -11.273 -10.877 -16.219 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -11.755 -12.473 -15.598 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -10.329 -12.323 -16.652 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -11.615 -10.305 -18.593 1.00 41.31 H new ATOM 0 HD22 LEU A 48 -10.685 -11.728 -19.121 1.00 41.31 H new ATOM 0 HD23 LEU A 48 -12.348 -11.484 -19.707 1.00 41.31 H new ATOM 755 N GLY A 49 -14.716 -15.713 -18.878 1.00 24.23 N ATOM 756 CA GLY A 49 -15.205 -17.078 -18.826 1.00 74.35 C ATOM 757 C GLY A 49 -15.269 -17.619 -17.412 1.00 12.23 C ATOM 758 O GLY A 49 -15.303 -18.832 -17.205 1.00 55.55 O ATOM 0 H GLY A 49 -15.390 -15.005 -18.588 1.00 24.23 H new ATOM 0 HA2 GLY A 49 -16.198 -17.122 -19.273 1.00 74.35 H new ATOM 0 HA3 GLY A 49 -14.556 -17.716 -19.426 1.00 74.35 H new ATOM 762 N GLN A 50 -15.284 -16.717 -16.436 1.00 5.05 N ATOM 763 CA GLN A 50 -15.341 -17.111 -15.033 1.00 31.11 C ATOM 764 C GLN A 50 -16.401 -16.309 -14.285 1.00 72.21 C ATOM 765 O GLN A 50 -16.587 -15.120 -14.539 1.00 10.12 O ATOM 766 CB GLN A 50 -13.976 -16.917 -14.370 1.00 72.13 C ATOM 767 CG GLN A 50 -12.992 -18.037 -14.665 1.00 62.25 C ATOM 768 CD GLN A 50 -11.784 -18.009 -13.750 1.00 21.01 C ATOM 769 OE1 GLN A 50 -11.598 -18.900 -12.921 1.00 31.14 O ATOM 770 NE2 GLN A 50 -10.954 -16.983 -13.896 1.00 11.45 N ATOM 0 H GLN A 50 -15.258 -15.709 -16.591 1.00 5.05 H new ATOM 0 HA GLN A 50 -15.611 -18.166 -14.989 1.00 31.11 H new ATOM 0 HB2 GLN A 50 -13.549 -15.972 -14.706 1.00 72.13 H new ATOM 0 HB3 GLN A 50 -14.113 -16.840 -13.291 1.00 72.13 H new ATOM 0 HG2 GLN A 50 -13.498 -18.997 -14.562 1.00 62.25 H new ATOM 0 HG3 GLN A 50 -12.660 -17.961 -15.701 1.00 62.25 H new ATOM 0 HE21 GLN A 50 -11.147 -16.267 -14.596 1.00 11.45 H new ATOM 0 HE22 GLN A 50 -10.124 -16.911 -13.308 1.00 11.45 H new ATOM 779 N ASN A 51 -17.094 -16.969 -13.363 1.00 20.14 N ATOM 780 CA ASN A 51 -18.137 -16.317 -12.578 1.00 64.43 C ATOM 781 C ASN A 51 -18.071 -16.753 -11.118 1.00 33.33 C ATOM 782 O ASN A 51 -18.958 -17.440 -10.609 1.00 5.23 O ATOM 783 CB ASN A 51 -19.516 -16.640 -13.157 1.00 42.42 C ATOM 784 CG ASN A 51 -19.725 -18.128 -13.358 1.00 71.01 C ATOM 785 OD1 ASN A 51 -19.043 -18.950 -12.746 1.00 61.35 O ATOM 786 ND2 ASN A 51 -20.672 -18.481 -14.219 1.00 74.22 N ATOM 0 H ASN A 51 -16.953 -17.954 -13.141 1.00 20.14 H new ATOM 0 HA ASN A 51 -17.974 -15.240 -12.625 1.00 64.43 H new ATOM 0 HB2 ASN A 51 -20.287 -16.255 -12.489 1.00 42.42 H new ATOM 0 HB3 ASN A 51 -19.635 -16.127 -14.111 1.00 42.42 H new ATOM 0 HD21 ASN A 51 -20.859 -19.468 -14.395 1.00 74.22 H new ATOM 0 HD22 ASN A 51 -21.213 -17.765 -14.704 1.00 74.22 H new ATOM 793 N PRO A 52 -16.997 -16.345 -10.426 1.00 30.30 N ATOM 794 CA PRO A 52 -16.791 -16.681 -9.014 1.00 5.30 C ATOM 795 C PRO A 52 -17.775 -15.962 -8.098 1.00 32.54 C ATOM 796 O PRO A 52 -18.458 -15.026 -8.514 1.00 73.21 O ATOM 797 CB PRO A 52 -15.362 -16.204 -8.742 1.00 25.44 C ATOM 798 CG PRO A 52 -15.123 -15.129 -9.745 1.00 21.23 C ATOM 799 CD PRO A 52 -15.901 -15.525 -10.969 1.00 14.21 C ATOM 0 HA PRO A 52 -16.946 -17.742 -8.820 1.00 5.30 H new ATOM 0 HB2 PRO A 52 -15.258 -15.826 -7.725 1.00 25.44 H new ATOM 0 HB3 PRO A 52 -14.645 -17.017 -8.855 1.00 25.44 H new ATOM 0 HG2 PRO A 52 -15.455 -14.162 -9.367 1.00 21.23 H new ATOM 0 HG3 PRO A 52 -14.061 -15.035 -9.971 1.00 21.23 H new ATOM 0 HD2 PRO A 52 -16.278 -14.654 -11.505 1.00 14.21 H new ATOM 0 HD3 PRO A 52 -15.287 -16.089 -11.671 1.00 14.21 H new ATOM 807 N THR A 53 -17.844 -16.406 -6.846 1.00 62.22 N ATOM 808 CA THR A 53 -18.745 -15.806 -5.871 1.00 34.22 C ATOM 809 C THR A 53 -18.495 -14.308 -5.739 1.00 62.40 C ATOM 810 O THR A 53 -17.432 -13.799 -6.095 1.00 10.44 O ATOM 811 CB THR A 53 -18.594 -16.464 -4.486 1.00 62.44 C ATOM 812 OG1 THR A 53 -17.272 -16.994 -4.338 1.00 3.01 O ATOM 813 CG2 THR A 53 -19.615 -17.577 -4.301 1.00 41.34 C ATOM 0 H THR A 53 -17.286 -17.179 -6.484 1.00 62.22 H new ATOM 0 HA THR A 53 -19.759 -15.972 -6.235 1.00 34.22 H new ATOM 0 HB THR A 53 -18.768 -15.703 -3.725 1.00 62.44 H new ATOM 0 HG1 THR A 53 -17.091 -17.161 -3.389 1.00 3.01 H new ATOM 0 HG21 THR A 53 -19.489 -18.026 -3.316 1.00 41.34 H new ATOM 0 HG22 THR A 53 -20.621 -17.166 -4.386 1.00 41.34 H new ATOM 0 HG23 THR A 53 -19.468 -18.337 -5.068 1.00 41.34 H new ATOM 821 N PRO A 54 -19.495 -13.584 -5.215 1.00 61.21 N ATOM 822 CA PRO A 54 -19.406 -12.134 -5.023 1.00 44.41 C ATOM 823 C PRO A 54 -18.423 -11.754 -3.921 1.00 25.32 C ATOM 824 O PRO A 54 -17.574 -10.883 -4.107 1.00 62.02 O ATOM 825 CB PRO A 54 -20.831 -11.740 -4.627 1.00 42.23 C ATOM 826 CG PRO A 54 -21.413 -12.974 -4.030 1.00 22.21 C ATOM 827 CD PRO A 54 -20.790 -14.126 -4.769 1.00 43.34 C ATOM 0 HA PRO A 54 -19.041 -11.627 -5.916 1.00 44.41 H new ATOM 0 HB2 PRO A 54 -20.830 -10.917 -3.912 1.00 42.23 H new ATOM 0 HB3 PRO A 54 -21.406 -11.410 -5.493 1.00 42.23 H new ATOM 0 HG2 PRO A 54 -21.196 -13.031 -2.963 1.00 22.21 H new ATOM 0 HG3 PRO A 54 -22.498 -12.984 -4.135 1.00 22.21 H new ATOM 0 HD2 PRO A 54 -20.661 -14.995 -4.124 1.00 43.34 H new ATOM 0 HD3 PRO A 54 -21.405 -14.443 -5.611 1.00 43.34 H new ATOM 835 N GLU A 55 -18.543 -12.414 -2.773 1.00 74.53 N ATOM 836 CA GLU A 55 -17.664 -12.145 -1.641 1.00 55.15 C ATOM 837 C GLU A 55 -16.220 -12.503 -1.977 1.00 64.41 C ATOM 838 O GLU A 55 -15.283 -11.911 -1.442 1.00 62.55 O ATOM 839 CB GLU A 55 -18.124 -12.931 -0.412 1.00 11.12 C ATOM 840 CG GLU A 55 -19.517 -12.555 0.065 1.00 70.40 C ATOM 841 CD GLU A 55 -19.966 -13.375 1.259 1.00 5.14 C ATOM 842 OE1 GLU A 55 -19.525 -13.069 2.387 1.00 11.43 O ATOM 843 OE2 GLU A 55 -20.756 -14.322 1.067 1.00 60.13 O ATOM 0 H GLU A 55 -19.240 -13.139 -2.603 1.00 74.53 H new ATOM 0 HA GLU A 55 -17.713 -11.079 -1.420 1.00 55.15 H new ATOM 0 HB2 GLU A 55 -18.104 -13.996 -0.644 1.00 11.12 H new ATOM 0 HB3 GLU A 55 -17.415 -12.768 0.400 1.00 11.12 H new ATOM 0 HG2 GLU A 55 -19.534 -11.497 0.328 1.00 70.40 H new ATOM 0 HG3 GLU A 55 -20.226 -12.691 -0.752 1.00 70.40 H new ATOM 850 N GLU A 56 -16.049 -13.477 -2.866 1.00 22.32 N ATOM 851 CA GLU A 56 -14.719 -13.916 -3.271 1.00 44.44 C ATOM 852 C GLU A 56 -13.976 -12.799 -4.000 1.00 12.24 C ATOM 853 O GLU A 56 -12.790 -12.567 -3.760 1.00 73.11 O ATOM 854 CB GLU A 56 -14.816 -15.149 -4.171 1.00 72.24 C ATOM 855 CG GLU A 56 -13.467 -15.683 -4.621 1.00 24.33 C ATOM 856 CD GLU A 56 -13.518 -17.150 -5.004 1.00 5.42 C ATOM 857 OE1 GLU A 56 -13.836 -17.447 -6.174 1.00 2.10 O ATOM 858 OE2 GLU A 56 -13.238 -18.000 -4.132 1.00 55.25 O ATOM 0 H GLU A 56 -16.814 -13.976 -3.319 1.00 22.32 H new ATOM 0 HA GLU A 56 -14.161 -14.175 -2.371 1.00 44.44 H new ATOM 0 HB2 GLU A 56 -15.349 -15.936 -3.638 1.00 72.24 H new ATOM 0 HB3 GLU A 56 -15.410 -14.900 -5.050 1.00 72.24 H new ATOM 0 HG2 GLU A 56 -13.116 -15.101 -5.473 1.00 24.33 H new ATOM 0 HG3 GLU A 56 -12.741 -15.546 -3.820 1.00 24.33 H new ATOM 865 N LEU A 57 -14.682 -12.110 -4.890 1.00 22.03 N ATOM 866 CA LEU A 57 -14.091 -11.017 -5.654 1.00 61.12 C ATOM 867 C LEU A 57 -13.482 -9.971 -4.727 1.00 1.45 C ATOM 868 O LEU A 57 -12.303 -9.636 -4.842 1.00 72.24 O ATOM 869 CB LEU A 57 -15.146 -10.368 -6.552 1.00 3.43 C ATOM 870 CG LEU A 57 -15.738 -11.259 -7.644 1.00 14.41 C ATOM 871 CD1 LEU A 57 -17.065 -10.696 -8.130 1.00 41.14 C ATOM 872 CD2 LEU A 57 -14.762 -11.404 -8.802 1.00 21.12 C ATOM 0 H LEU A 57 -15.664 -12.289 -5.100 1.00 22.03 H new ATOM 0 HA LEU A 57 -13.297 -11.429 -6.276 1.00 61.12 H new ATOM 0 HB2 LEU A 57 -15.960 -10.010 -5.922 1.00 3.43 H new ATOM 0 HB3 LEU A 57 -14.702 -9.493 -7.026 1.00 3.43 H new ATOM 0 HG LEU A 57 -15.918 -12.248 -7.222 1.00 14.41 H new ATOM 0 HD11 LEU A 57 -17.472 -11.343 -8.907 1.00 41.14 H new ATOM 0 HD12 LEU A 57 -17.766 -10.645 -7.297 1.00 41.14 H new ATOM 0 HD13 LEU A 57 -16.910 -9.696 -8.535 1.00 41.14 H new ATOM 0 HD21 LEU A 57 -15.200 -12.042 -9.570 1.00 21.12 H new ATOM 0 HD22 LEU A 57 -14.549 -10.422 -9.224 1.00 21.12 H new ATOM 0 HD23 LEU A 57 -13.836 -11.853 -8.443 1.00 21.12 H new ATOM 884 N GLN A 58 -14.293 -9.460 -3.806 1.00 0.31 N ATOM 885 CA GLN A 58 -13.833 -8.452 -2.857 1.00 62.44 C ATOM 886 C GLN A 58 -12.692 -8.992 -2.001 1.00 44.34 C ATOM 887 O GLN A 58 -11.878 -8.228 -1.483 1.00 41.23 O ATOM 888 CB GLN A 58 -14.987 -7.999 -1.962 1.00 74.22 C ATOM 889 CG GLN A 58 -14.542 -7.172 -0.767 1.00 31.53 C ATOM 890 CD GLN A 58 -13.872 -5.874 -1.172 1.00 31.41 C ATOM 891 OE1 GLN A 58 -14.466 -5.045 -1.861 1.00 42.34 O ATOM 892 NE2 GLN A 58 -12.628 -5.691 -0.745 1.00 32.35 N ATOM 0 H GLN A 58 -15.271 -9.727 -3.697 1.00 0.31 H new ATOM 0 HA GLN A 58 -13.465 -7.597 -3.424 1.00 62.44 H new ATOM 0 HB2 GLN A 58 -15.689 -7.414 -2.557 1.00 74.22 H new ATOM 0 HB3 GLN A 58 -15.525 -8.877 -1.605 1.00 74.22 H new ATOM 0 HG2 GLN A 58 -15.407 -6.950 -0.141 1.00 31.53 H new ATOM 0 HG3 GLN A 58 -13.852 -7.759 -0.161 1.00 31.53 H new ATOM 0 HE21 GLN A 58 -12.174 -6.405 -0.176 1.00 32.35 H new ATOM 0 HE22 GLN A 58 -12.127 -4.836 -0.986 1.00 32.35 H new ATOM 901 N GLU A 59 -12.639 -10.312 -1.857 1.00 72.35 N ATOM 902 CA GLU A 59 -11.598 -10.953 -1.063 1.00 2.34 C ATOM 903 C GLU A 59 -10.213 -10.628 -1.616 1.00 55.44 C ATOM 904 O GLU A 59 -9.340 -10.153 -0.892 1.00 5.23 O ATOM 905 CB GLU A 59 -11.805 -12.468 -1.036 1.00 34.43 C ATOM 906 CG GLU A 59 -11.250 -13.137 0.211 1.00 53.31 C ATOM 907 CD GLU A 59 -12.034 -12.783 1.460 1.00 25.13 C ATOM 908 OE1 GLU A 59 -13.248 -12.517 1.345 1.00 60.35 O ATOM 909 OE2 GLU A 59 -11.431 -12.773 2.554 1.00 10.33 O ATOM 0 H GLU A 59 -13.305 -10.958 -2.280 1.00 72.35 H new ATOM 0 HA GLU A 59 -11.664 -10.566 -0.046 1.00 2.34 H new ATOM 0 HB2 GLU A 59 -12.871 -12.682 -1.109 1.00 34.43 H new ATOM 0 HB3 GLU A 59 -11.332 -12.906 -1.914 1.00 34.43 H new ATOM 0 HG2 GLU A 59 -11.260 -14.218 0.074 1.00 53.31 H new ATOM 0 HG3 GLU A 59 -10.209 -12.843 0.344 1.00 53.31 H new ATOM 916 N MET A 60 -10.022 -10.888 -2.906 1.00 13.15 N ATOM 917 CA MET A 60 -8.745 -10.623 -3.557 1.00 41.50 C ATOM 918 C MET A 60 -8.488 -9.122 -3.660 1.00 75.43 C ATOM 919 O MET A 60 -7.340 -8.680 -3.688 1.00 65.41 O ATOM 920 CB MET A 60 -8.718 -11.253 -4.951 1.00 20.45 C ATOM 921 CG MET A 60 -8.714 -12.773 -4.929 1.00 70.35 C ATOM 922 SD MET A 60 -8.541 -13.490 -6.575 1.00 31.32 S ATOM 923 CE MET A 60 -10.255 -13.799 -6.992 1.00 34.04 C ATOM 0 H MET A 60 -10.735 -11.282 -3.520 1.00 13.15 H new ATOM 0 HA MET A 60 -7.957 -11.068 -2.950 1.00 41.50 H new ATOM 0 HB2 MET A 60 -9.585 -10.908 -5.514 1.00 20.45 H new ATOM 0 HB3 MET A 60 -7.833 -10.903 -5.482 1.00 20.45 H new ATOM 0 HG2 MET A 60 -7.897 -13.121 -4.297 1.00 70.35 H new ATOM 0 HG3 MET A 60 -9.640 -13.129 -4.477 1.00 70.35 H new ATOM 0 HE1 MET A 60 -10.313 -14.244 -7.986 1.00 34.04 H new ATOM 0 HE2 MET A 60 -10.689 -14.483 -6.263 1.00 34.04 H new ATOM 0 HE3 MET A 60 -10.807 -12.859 -6.982 1.00 34.04 H new ATOM 933 N ILE A 61 -9.565 -8.345 -3.717 1.00 22.30 N ATOM 934 CA ILE A 61 -9.455 -6.895 -3.816 1.00 70.23 C ATOM 935 C ILE A 61 -9.060 -6.281 -2.478 1.00 2.13 C ATOM 936 O ILE A 61 -8.516 -5.177 -2.426 1.00 33.43 O ATOM 937 CB ILE A 61 -10.777 -6.262 -4.289 1.00 2.42 C ATOM 938 CG1 ILE A 61 -11.112 -6.726 -5.708 1.00 5.22 C ATOM 939 CG2 ILE A 61 -10.688 -4.744 -4.229 1.00 62.03 C ATOM 940 CD1 ILE A 61 -12.385 -6.122 -6.256 1.00 75.23 C ATOM 0 H ILE A 61 -10.523 -8.695 -3.696 1.00 22.30 H new ATOM 0 HA ILE A 61 -8.678 -6.687 -4.551 1.00 70.23 H new ATOM 0 HB ILE A 61 -11.577 -6.587 -3.623 1.00 2.42 H new ATOM 0 HG12 ILE A 61 -10.284 -6.471 -6.370 1.00 5.22 H new ATOM 0 HG13 ILE A 61 -11.203 -7.812 -5.715 1.00 5.22 H new ATOM 0 HG21 ILE A 61 -11.630 -4.311 -4.566 1.00 62.03 H new ATOM 0 HG22 ILE A 61 -10.491 -4.431 -3.204 1.00 62.03 H new ATOM 0 HG23 ILE A 61 -9.879 -4.401 -4.874 1.00 62.03 H new ATOM 0 HD11 ILE A 61 -12.560 -6.495 -7.265 1.00 75.23 H new ATOM 0 HD12 ILE A 61 -13.223 -6.398 -5.617 1.00 75.23 H new ATOM 0 HD13 ILE A 61 -12.291 -5.036 -6.282 1.00 75.23 H new ATOM 952 N ASP A 62 -9.335 -7.003 -1.397 1.00 62.34 N ATOM 953 CA ASP A 62 -9.005 -6.531 -0.058 1.00 35.15 C ATOM 954 C ASP A 62 -7.494 -6.435 0.129 1.00 74.52 C ATOM 955 O ASP A 62 -6.980 -5.417 0.590 1.00 71.20 O ATOM 956 CB ASP A 62 -9.604 -7.464 0.997 1.00 42.14 C ATOM 957 CG ASP A 62 -9.430 -6.932 2.406 1.00 62.53 C ATOM 958 OD1 ASP A 62 -9.591 -5.710 2.602 1.00 5.03 O ATOM 959 OD2 ASP A 62 -9.132 -7.739 3.312 1.00 41.02 O ATOM 0 H ASP A 62 -9.786 -7.918 -1.422 1.00 62.34 H new ATOM 0 HA ASP A 62 -9.431 -5.535 0.064 1.00 35.15 H new ATOM 0 HB2 ASP A 62 -10.666 -7.604 0.793 1.00 42.14 H new ATOM 0 HB3 ASP A 62 -9.133 -8.444 0.921 1.00 42.14 H new ATOM 964 N GLU A 63 -6.790 -7.503 -0.232 1.00 61.51 N ATOM 965 CA GLU A 63 -5.338 -7.539 -0.103 1.00 21.54 C ATOM 966 C GLU A 63 -4.677 -6.623 -1.128 1.00 53.41 C ATOM 967 O GLU A 63 -3.545 -6.177 -0.941 1.00 31.02 O ATOM 968 CB GLU A 63 -4.824 -8.970 -0.275 1.00 64.21 C ATOM 969 CG GLU A 63 -3.908 -9.428 0.848 1.00 13.52 C ATOM 970 CD GLU A 63 -3.669 -10.925 0.833 1.00 51.22 C ATOM 971 OE1 GLU A 63 -3.513 -11.489 -0.271 1.00 12.33 O ATOM 972 OE2 GLU A 63 -3.638 -11.533 1.923 1.00 11.41 O ATOM 0 H GLU A 63 -7.201 -8.354 -0.616 1.00 61.51 H new ATOM 0 HA GLU A 63 -5.079 -7.185 0.895 1.00 21.54 H new ATOM 0 HB2 GLU A 63 -5.675 -9.648 -0.337 1.00 64.21 H new ATOM 0 HB3 GLU A 63 -4.289 -9.043 -1.222 1.00 64.21 H new ATOM 0 HG2 GLU A 63 -2.952 -8.911 0.766 1.00 13.52 H new ATOM 0 HG3 GLU A 63 -4.343 -9.143 1.806 1.00 13.52 H new ATOM 979 N VAL A 64 -5.393 -6.346 -2.213 1.00 51.44 N ATOM 980 CA VAL A 64 -4.878 -5.482 -3.269 1.00 40.10 C ATOM 981 C VAL A 64 -5.048 -4.011 -2.907 1.00 44.31 C ATOM 982 O VAL A 64 -4.103 -3.226 -2.995 1.00 61.24 O ATOM 983 CB VAL A 64 -5.584 -5.754 -4.611 1.00 5.31 C ATOM 984 CG1 VAL A 64 -5.149 -4.739 -5.658 1.00 34.22 C ATOM 985 CG2 VAL A 64 -5.302 -7.172 -5.082 1.00 72.45 C ATOM 0 H VAL A 64 -6.331 -6.707 -2.384 1.00 51.44 H new ATOM 0 HA VAL A 64 -3.817 -5.707 -3.373 1.00 40.10 H new ATOM 0 HB VAL A 64 -6.659 -5.651 -4.464 1.00 5.31 H new ATOM 0 HG11 VAL A 64 -5.658 -4.947 -6.599 1.00 34.22 H new ATOM 0 HG12 VAL A 64 -5.406 -3.735 -5.320 1.00 34.22 H new ATOM 0 HG13 VAL A 64 -4.071 -4.807 -5.805 1.00 34.22 H new ATOM 0 HG21 VAL A 64 -5.808 -7.348 -6.031 1.00 72.45 H new ATOM 0 HG22 VAL A 64 -4.228 -7.305 -5.213 1.00 72.45 H new ATOM 0 HG23 VAL A 64 -5.667 -7.881 -4.339 1.00 72.45 H new ATOM 995 N ASP A 65 -6.257 -3.643 -2.499 1.00 72.30 N ATOM 996 CA ASP A 65 -6.551 -2.266 -2.122 1.00 11.33 C ATOM 997 C ASP A 65 -5.737 -1.851 -0.900 1.00 20.31 C ATOM 998 O ASP A 65 -6.005 -2.296 0.216 1.00 52.23 O ATOM 999 CB ASP A 65 -8.044 -2.100 -1.835 1.00 34.52 C ATOM 1000 CG ASP A 65 -8.512 -0.668 -2.005 1.00 63.42 C ATOM 1001 OD1 ASP A 65 -7.705 0.253 -1.759 1.00 21.34 O ATOM 1002 OD2 ASP A 65 -9.684 -0.469 -2.386 1.00 1.40 O ATOM 0 H ASP A 65 -7.050 -4.280 -2.421 1.00 72.30 H new ATOM 0 HA ASP A 65 -6.275 -1.621 -2.956 1.00 11.33 H new ATOM 0 HB2 ASP A 65 -8.613 -2.747 -2.503 1.00 34.52 H new ATOM 0 HB3 ASP A 65 -8.254 -2.429 -0.817 1.00 34.52 H new ATOM 1007 N GLU A 66 -4.741 -0.998 -1.120 1.00 73.40 N ATOM 1008 CA GLU A 66 -3.887 -0.526 -0.037 1.00 32.35 C ATOM 1009 C GLU A 66 -4.679 0.331 0.947 1.00 73.24 C ATOM 1010 O GLU A 66 -4.396 0.343 2.145 1.00 60.43 O ATOM 1011 CB GLU A 66 -2.711 0.276 -0.597 1.00 51.11 C ATOM 1012 CG GLU A 66 -1.937 -0.455 -1.681 1.00 20.00 C ATOM 1013 CD GLU A 66 -1.157 -1.639 -1.143 1.00 73.22 C ATOM 1014 OE1 GLU A 66 -0.338 -1.442 -0.222 1.00 44.32 O ATOM 1015 OE2 GLU A 66 -1.368 -2.764 -1.644 1.00 3.12 O ATOM 0 H GLU A 66 -4.506 -0.620 -2.038 1.00 73.40 H new ATOM 0 HA GLU A 66 -3.503 -1.397 0.494 1.00 32.35 H new ATOM 0 HB2 GLU A 66 -3.084 1.218 -1.000 1.00 51.11 H new ATOM 0 HB3 GLU A 66 -2.031 0.525 0.218 1.00 51.11 H new ATOM 0 HG2 GLU A 66 -2.631 -0.800 -2.448 1.00 20.00 H new ATOM 0 HG3 GLU A 66 -1.249 0.240 -2.163 1.00 20.00 H new ATOM 1022 N ASP A 67 -5.672 1.047 0.431 1.00 33.01 N ATOM 1023 CA ASP A 67 -6.506 1.907 1.262 1.00 15.04 C ATOM 1024 C ASP A 67 -7.801 1.199 1.649 1.00 53.01 C ATOM 1025 O ASP A 67 -8.573 1.698 2.467 1.00 71.41 O ATOM 1026 CB ASP A 67 -6.823 3.211 0.528 1.00 71.31 C ATOM 1027 CG ASP A 67 -7.219 2.980 -0.917 1.00 60.41 C ATOM 1028 OD1 ASP A 67 -6.337 2.617 -1.724 1.00 21.44 O ATOM 1029 OD2 ASP A 67 -8.411 3.161 -1.242 1.00 0.04 O ATOM 0 H ASP A 67 -5.919 1.049 -0.559 1.00 33.01 H new ATOM 0 HA ASP A 67 -5.953 2.137 2.172 1.00 15.04 H new ATOM 0 HB2 ASP A 67 -7.631 3.728 1.045 1.00 71.31 H new ATOM 0 HB3 ASP A 67 -5.952 3.865 0.563 1.00 71.31 H new ATOM 1034 N GLY A 68 -8.033 0.033 1.053 1.00 11.11 N ATOM 1035 CA GLY A 68 -9.236 -0.724 1.347 1.00 41.22 C ATOM 1036 C GLY A 68 -10.499 0.085 1.124 1.00 64.30 C ATOM 1037 O GLY A 68 -11.436 0.016 1.919 1.00 72.25 O ATOM 0 H GLY A 68 -7.409 -0.401 0.372 1.00 11.11 H new ATOM 0 HA2 GLY A 68 -9.263 -1.615 0.720 1.00 41.22 H new ATOM 0 HA3 GLY A 68 -9.204 -1.064 2.382 1.00 41.22 H new ATOM 1041 N SER A 69 -10.523 0.855 0.041 1.00 60.32 N ATOM 1042 CA SER A 69 -11.678 1.685 -0.281 1.00 61.53 C ATOM 1043 C SER A 69 -12.802 0.843 -0.878 1.00 10.10 C ATOM 1044 O SER A 69 -13.958 1.263 -0.908 1.00 40.04 O ATOM 1045 CB SER A 69 -11.280 2.792 -1.259 1.00 71.22 C ATOM 1046 OG SER A 69 -10.575 2.263 -2.369 1.00 11.01 O ATOM 0 H SER A 69 -9.756 0.921 -0.628 1.00 60.32 H new ATOM 0 HA SER A 69 -12.038 2.138 0.643 1.00 61.53 H new ATOM 0 HB2 SER A 69 -12.172 3.313 -1.606 1.00 71.22 H new ATOM 0 HB3 SER A 69 -10.660 3.528 -0.747 1.00 71.22 H new ATOM 0 HG SER A 69 -9.611 2.357 -2.219 1.00 11.01 H new ATOM 1052 N GLY A 70 -12.453 -0.349 -1.352 1.00 62.03 N ATOM 1053 CA GLY A 70 -13.442 -1.232 -1.942 1.00 54.41 C ATOM 1054 C GLY A 70 -13.360 -1.266 -3.455 1.00 53.33 C ATOM 1055 O GLY A 70 -14.217 -1.850 -4.119 1.00 35.32 O ATOM 0 H GLY A 70 -11.503 -0.719 -1.338 1.00 62.03 H new ATOM 0 HA2 GLY A 70 -13.304 -2.240 -1.551 1.00 54.41 H new ATOM 0 HA3 GLY A 70 -14.439 -0.908 -1.642 1.00 54.41 H new ATOM 1059 N THR A 71 -12.327 -0.636 -4.005 1.00 4.42 N ATOM 1060 CA THR A 71 -12.137 -0.593 -5.449 1.00 72.53 C ATOM 1061 C THR A 71 -10.656 -0.608 -5.810 1.00 72.32 C ATOM 1062 O THR A 71 -9.804 -0.261 -4.992 1.00 70.04 O ATOM 1063 CB THR A 71 -12.792 0.657 -6.065 1.00 44.44 C ATOM 1064 OG1 THR A 71 -12.097 1.834 -5.639 1.00 4.52 O ATOM 1065 CG2 THR A 71 -14.256 0.754 -5.666 1.00 12.41 C ATOM 0 H THR A 71 -11.608 -0.148 -3.471 1.00 4.42 H new ATOM 0 HA THR A 71 -12.616 -1.483 -5.857 1.00 72.53 H new ATOM 0 HB THR A 71 -12.733 0.573 -7.150 1.00 44.44 H new ATOM 0 HG1 THR A 71 -12.676 2.616 -5.757 1.00 4.52 H new ATOM 0 HG21 THR A 71 -14.697 1.645 -6.113 1.00 12.41 H new ATOM 0 HG22 THR A 71 -14.788 -0.130 -6.018 1.00 12.41 H new ATOM 0 HG23 THR A 71 -14.334 0.817 -4.581 1.00 12.41 H new ATOM 1073 N VAL A 72 -10.356 -1.012 -7.041 1.00 23.05 N ATOM 1074 CA VAL A 72 -8.977 -1.070 -7.511 1.00 22.14 C ATOM 1075 C VAL A 72 -8.654 0.113 -8.416 1.00 14.52 C ATOM 1076 O VAL A 72 -9.329 0.342 -9.420 1.00 11.00 O ATOM 1077 CB VAL A 72 -8.699 -2.378 -8.276 1.00 12.15 C ATOM 1078 CG1 VAL A 72 -7.755 -2.125 -9.441 1.00 53.22 C ATOM 1079 CG2 VAL A 72 -8.131 -3.433 -7.338 1.00 51.40 C ATOM 0 H VAL A 72 -11.049 -1.304 -7.730 1.00 23.05 H new ATOM 0 HA VAL A 72 -8.340 -1.032 -6.627 1.00 22.14 H new ATOM 0 HB VAL A 72 -9.641 -2.751 -8.678 1.00 12.15 H new ATOM 0 HG11 VAL A 72 -7.570 -3.060 -9.969 1.00 53.22 H new ATOM 0 HG12 VAL A 72 -8.205 -1.405 -10.124 1.00 53.22 H new ATOM 0 HG13 VAL A 72 -6.812 -1.728 -9.065 1.00 53.22 H new ATOM 0 HG21 VAL A 72 -7.941 -4.350 -7.895 1.00 51.40 H new ATOM 0 HG22 VAL A 72 -7.198 -3.071 -6.905 1.00 51.40 H new ATOM 0 HG23 VAL A 72 -8.847 -3.634 -6.541 1.00 51.40 H new ATOM 1089 N ASP A 73 -7.619 0.863 -8.054 1.00 61.11 N ATOM 1090 CA ASP A 73 -7.205 2.023 -8.835 1.00 11.24 C ATOM 1091 C ASP A 73 -6.050 1.668 -9.765 1.00 41.14 C ATOM 1092 O ASP A 73 -5.411 0.627 -9.610 1.00 75.23 O ATOM 1093 CB ASP A 73 -6.796 3.169 -7.907 1.00 62.44 C ATOM 1094 CG ASP A 73 -7.983 3.798 -7.206 1.00 52.41 C ATOM 1095 OD1 ASP A 73 -8.860 3.046 -6.733 1.00 22.32 O ATOM 1096 OD2 ASP A 73 -8.036 5.044 -7.131 1.00 54.14 O ATOM 0 H ASP A 73 -7.051 0.689 -7.225 1.00 61.11 H new ATOM 0 HA ASP A 73 -8.052 2.342 -9.443 1.00 11.24 H new ATOM 0 HB2 ASP A 73 -6.094 2.796 -7.162 1.00 62.44 H new ATOM 0 HB3 ASP A 73 -6.273 3.931 -8.485 1.00 62.44 H new ATOM 1101 N PHE A 74 -5.787 2.540 -10.733 1.00 73.24 N ATOM 1102 CA PHE A 74 -4.710 2.317 -11.691 1.00 52.41 C ATOM 1103 C PHE A 74 -3.409 1.967 -10.975 1.00 13.13 C ATOM 1104 O PHE A 74 -2.596 1.196 -11.484 1.00 21.21 O ATOM 1105 CB PHE A 74 -4.508 3.560 -12.561 1.00 30.20 C ATOM 1106 CG PHE A 74 -3.442 3.393 -13.606 1.00 21.03 C ATOM 1107 CD1 PHE A 74 -3.243 2.168 -14.222 1.00 41.21 C ATOM 1108 CD2 PHE A 74 -2.638 4.461 -13.971 1.00 12.00 C ATOM 1109 CE1 PHE A 74 -2.263 2.011 -15.184 1.00 41.32 C ATOM 1110 CE2 PHE A 74 -1.657 4.310 -14.933 1.00 11.34 C ATOM 1111 CZ PHE A 74 -1.468 3.084 -15.539 1.00 73.31 C ATOM 0 H PHE A 74 -6.305 3.407 -10.875 1.00 73.24 H new ATOM 0 HA PHE A 74 -4.991 1.478 -12.327 1.00 52.41 H new ATOM 0 HB2 PHE A 74 -5.450 3.808 -13.050 1.00 30.20 H new ATOM 0 HB3 PHE A 74 -4.249 4.404 -11.921 1.00 30.20 H new ATOM 0 HD1 PHE A 74 -3.861 1.326 -13.947 1.00 41.21 H new ATOM 0 HD2 PHE A 74 -2.779 5.422 -13.499 1.00 12.00 H new ATOM 0 HE1 PHE A 74 -2.119 1.051 -15.658 1.00 41.32 H new ATOM 0 HE2 PHE A 74 -1.039 5.151 -15.210 1.00 11.34 H new ATOM 0 HZ PHE A 74 -0.700 2.964 -16.289 1.00 73.31 H new ATOM 1121 N ASP A 75 -3.220 2.540 -9.791 1.00 71.21 N ATOM 1122 CA ASP A 75 -2.019 2.289 -9.003 1.00 62.44 C ATOM 1123 C ASP A 75 -1.957 0.832 -8.556 1.00 32.51 C ATOM 1124 O ASP A 75 -1.017 0.110 -8.888 1.00 55.12 O ATOM 1125 CB ASP A 75 -1.980 3.212 -7.784 1.00 73.44 C ATOM 1126 CG ASP A 75 -0.656 3.144 -7.049 1.00 52.40 C ATOM 1127 OD1 ASP A 75 0.373 2.871 -7.702 1.00 54.25 O ATOM 1128 OD2 ASP A 75 -0.649 3.366 -5.820 1.00 64.03 O ATOM 0 H ASP A 75 -3.883 3.181 -9.356 1.00 71.21 H new ATOM 0 HA ASP A 75 -1.153 2.494 -9.632 1.00 62.44 H new ATOM 0 HB2 ASP A 75 -2.163 4.238 -8.103 1.00 73.44 H new ATOM 0 HB3 ASP A 75 -2.786 2.942 -7.101 1.00 73.44 H new ATOM 1133 N GLU A 76 -2.965 0.407 -7.800 1.00 23.14 N ATOM 1134 CA GLU A 76 -3.023 -0.964 -7.305 1.00 41.24 C ATOM 1135 C GLU A 76 -3.209 -1.949 -8.455 1.00 65.45 C ATOM 1136 O GLU A 76 -2.891 -3.132 -8.330 1.00 74.32 O ATOM 1137 CB GLU A 76 -4.164 -1.118 -6.298 1.00 31.12 C ATOM 1138 CG GLU A 76 -4.083 -0.146 -5.133 1.00 11.21 C ATOM 1139 CD GLU A 76 -5.437 0.131 -4.509 1.00 31.01 C ATOM 1140 OE1 GLU A 76 -6.456 -0.013 -5.216 1.00 53.35 O ATOM 1141 OE2 GLU A 76 -5.478 0.491 -3.314 1.00 41.31 O ATOM 0 H GLU A 76 -3.752 0.992 -7.517 1.00 23.14 H new ATOM 0 HA GLU A 76 -2.078 -1.185 -6.809 1.00 41.24 H new ATOM 0 HB2 GLU A 76 -5.114 -0.976 -6.813 1.00 31.12 H new ATOM 0 HB3 GLU A 76 -4.161 -2.137 -5.911 1.00 31.12 H new ATOM 0 HG2 GLU A 76 -3.413 -0.550 -4.374 1.00 11.21 H new ATOM 0 HG3 GLU A 76 -3.647 0.792 -5.477 1.00 11.21 H new ATOM 1148 N TRP A 77 -3.724 -1.453 -9.574 1.00 75.31 N ATOM 1149 CA TRP A 77 -3.953 -2.290 -10.747 1.00 13.13 C ATOM 1150 C TRP A 77 -2.632 -2.747 -11.355 1.00 72.13 C ATOM 1151 O TRP A 77 -2.465 -3.921 -11.690 1.00 44.31 O ATOM 1152 CB TRP A 77 -4.773 -1.529 -11.790 1.00 11.43 C ATOM 1153 CG TRP A 77 -5.430 -2.423 -12.797 1.00 14.01 C ATOM 1154 CD1 TRP A 77 -6.702 -2.917 -12.747 1.00 74.44 C ATOM 1155 CD2 TRP A 77 -4.847 -2.930 -14.002 1.00 73.22 C ATOM 1156 NE1 TRP A 77 -6.945 -3.702 -13.849 1.00 53.43 N ATOM 1157 CE2 TRP A 77 -5.823 -3.725 -14.635 1.00 14.22 C ATOM 1158 CE3 TRP A 77 -3.597 -2.789 -14.610 1.00 3.05 C ATOM 1159 CZ2 TRP A 77 -5.585 -4.375 -15.843 1.00 10.22 C ATOM 1160 CZ3 TRP A 77 -3.362 -3.435 -15.808 1.00 63.12 C ATOM 1161 CH2 TRP A 77 -4.352 -4.219 -16.415 1.00 62.20 C ATOM 0 H TRP A 77 -3.991 -0.476 -9.694 1.00 75.31 H new ATOM 0 HA TRP A 77 -4.510 -3.172 -10.431 1.00 13.13 H new ATOM 0 HB2 TRP A 77 -5.538 -0.942 -11.282 1.00 11.43 H new ATOM 0 HB3 TRP A 77 -4.123 -0.825 -12.309 1.00 11.43 H new ATOM 0 HD1 TRP A 77 -7.413 -2.720 -11.958 1.00 74.44 H new ATOM 0 HE1 TRP A 77 -7.819 -4.188 -14.049 1.00 53.43 H new ATOM 0 HE3 TRP A 77 -2.828 -2.185 -14.151 1.00 3.05 H new ATOM 0 HZ2 TRP A 77 -6.346 -4.981 -16.312 1.00 10.22 H new ATOM 0 HZ3 TRP A 77 -2.398 -3.334 -16.285 1.00 63.12 H new ATOM 0 HH2 TRP A 77 -4.138 -4.710 -17.353 1.00 62.20 H new ATOM 1172 N LEU A 78 -1.697 -1.815 -11.496 1.00 44.31 N ATOM 1173 CA LEU A 78 -0.389 -2.123 -12.065 1.00 1.33 C ATOM 1174 C LEU A 78 0.384 -3.082 -11.165 1.00 72.13 C ATOM 1175 O LEU A 78 0.856 -4.126 -11.615 1.00 25.35 O ATOM 1176 CB LEU A 78 0.416 -0.838 -12.269 1.00 55.24 C ATOM 1177 CG LEU A 78 -0.104 0.115 -13.346 1.00 52.23 C ATOM 1178 CD1 LEU A 78 0.822 1.313 -13.492 1.00 31.35 C ATOM 1179 CD2 LEU A 78 -0.252 -0.611 -14.675 1.00 62.42 C ATOM 0 H LEU A 78 -1.819 -0.839 -11.224 1.00 44.31 H new ATOM 0 HA LEU A 78 -0.545 -2.605 -13.030 1.00 1.33 H new ATOM 0 HB2 LEU A 78 0.450 -0.300 -11.322 1.00 55.24 H new ATOM 0 HB3 LEU A 78 1.442 -1.111 -12.518 1.00 55.24 H new ATOM 0 HG LEU A 78 -1.086 0.476 -13.040 1.00 52.23 H new ATOM 0 HD11 LEU A 78 0.436 1.980 -14.263 1.00 31.35 H new ATOM 0 HD12 LEU A 78 0.877 1.848 -12.544 1.00 31.35 H new ATOM 0 HD13 LEU A 78 1.818 0.971 -13.774 1.00 31.35 H new ATOM 0 HD21 LEU A 78 -0.623 0.083 -15.429 1.00 62.42 H new ATOM 0 HD22 LEU A 78 0.717 -1.001 -14.986 1.00 62.42 H new ATOM 0 HD23 LEU A 78 -0.956 -1.435 -14.563 1.00 62.42 H new ATOM 1191 N VAL A 79 0.507 -2.722 -9.892 1.00 13.14 N ATOM 1192 CA VAL A 79 1.219 -3.552 -8.928 1.00 31.14 C ATOM 1193 C VAL A 79 0.553 -4.915 -8.779 1.00 20.43 C ATOM 1194 O VAL A 79 1.219 -5.917 -8.519 1.00 73.44 O ATOM 1195 CB VAL A 79 1.289 -2.874 -7.547 1.00 3.24 C ATOM 1196 CG1 VAL A 79 1.894 -1.483 -7.665 1.00 13.01 C ATOM 1197 CG2 VAL A 79 -0.092 -2.812 -6.913 1.00 13.50 C ATOM 0 H VAL A 79 0.123 -1.861 -9.504 1.00 13.14 H new ATOM 0 HA VAL A 79 2.231 -3.685 -9.311 1.00 31.14 H new ATOM 0 HB VAL A 79 1.933 -3.471 -6.901 1.00 3.24 H new ATOM 0 HG11 VAL A 79 1.935 -1.019 -6.679 1.00 13.01 H new ATOM 0 HG12 VAL A 79 2.902 -1.558 -8.073 1.00 13.01 H new ATOM 0 HG13 VAL A 79 1.279 -0.874 -8.327 1.00 13.01 H new ATOM 0 HG21 VAL A 79 -0.023 -2.330 -5.938 1.00 13.50 H new ATOM 0 HG22 VAL A 79 -0.762 -2.239 -7.555 1.00 13.50 H new ATOM 0 HG23 VAL A 79 -0.482 -3.822 -6.791 1.00 13.50 H new ATOM 1207 N MET A 80 -0.765 -4.945 -8.945 1.00 32.31 N ATOM 1208 CA MET A 80 -1.521 -6.187 -8.831 1.00 15.03 C ATOM 1209 C MET A 80 -1.002 -7.232 -9.813 1.00 55.02 C ATOM 1210 O MET A 80 -0.617 -8.331 -9.418 1.00 25.55 O ATOM 1211 CB MET A 80 -3.008 -5.928 -9.081 1.00 74.44 C ATOM 1212 CG MET A 80 -3.826 -7.199 -9.253 1.00 3.53 C ATOM 1213 SD MET A 80 -5.594 -6.921 -9.038 1.00 13.30 S ATOM 1214 CE MET A 80 -5.794 -5.349 -9.873 1.00 2.42 C ATOM 0 H MET A 80 -1.332 -4.124 -9.159 1.00 32.31 H new ATOM 0 HA MET A 80 -1.392 -6.571 -7.819 1.00 15.03 H new ATOM 0 HB2 MET A 80 -3.414 -5.355 -8.248 1.00 74.44 H new ATOM 0 HB3 MET A 80 -3.116 -5.312 -9.974 1.00 74.44 H new ATOM 0 HG2 MET A 80 -3.645 -7.611 -10.246 1.00 3.53 H new ATOM 0 HG3 MET A 80 -3.489 -7.944 -8.532 1.00 3.53 H new ATOM 0 HE1 MET A 80 -6.827 -5.241 -10.203 1.00 2.42 H new ATOM 0 HE2 MET A 80 -5.546 -4.539 -9.187 1.00 2.42 H new ATOM 0 HE3 MET A 80 -5.131 -5.309 -10.737 1.00 2.42 H new ATOM 1224 N MET A 81 -0.997 -6.881 -11.095 1.00 64.21 N ATOM 1225 CA MET A 81 -0.524 -7.790 -12.133 1.00 41.54 C ATOM 1226 C MET A 81 0.979 -8.018 -12.012 1.00 64.34 C ATOM 1227 O MET A 81 1.476 -9.108 -12.296 1.00 75.03 O ATOM 1228 CB MET A 81 -0.857 -7.232 -13.519 1.00 21.33 C ATOM 1229 CG MET A 81 -0.433 -5.785 -13.710 1.00 30.04 C ATOM 1230 SD MET A 81 -0.529 -5.254 -15.430 1.00 72.21 S ATOM 1231 CE MET A 81 -1.853 -6.299 -16.033 1.00 52.12 C ATOM 0 H MET A 81 -1.315 -5.975 -11.440 1.00 64.21 H new ATOM 0 HA MET A 81 -1.030 -8.746 -12.002 1.00 41.54 H new ATOM 0 HB2 MET A 81 -0.370 -7.847 -14.276 1.00 21.33 H new ATOM 0 HB3 MET A 81 -1.931 -7.312 -13.685 1.00 21.33 H new ATOM 0 HG2 MET A 81 -1.066 -5.141 -13.099 1.00 30.04 H new ATOM 0 HG3 MET A 81 0.589 -5.660 -13.352 1.00 30.04 H new ATOM 0 HE1 MET A 81 -2.164 -5.958 -17.021 1.00 52.12 H new ATOM 0 HE2 MET A 81 -1.503 -7.329 -16.098 1.00 52.12 H new ATOM 0 HE3 MET A 81 -2.699 -6.246 -15.348 1.00 52.12 H new ATOM 1241 N ALA A 82 1.699 -6.984 -11.590 1.00 13.23 N ATOM 1242 CA ALA A 82 3.145 -7.073 -11.430 1.00 32.31 C ATOM 1243 C ALA A 82 3.527 -8.250 -10.538 1.00 12.41 C ATOM 1244 O ALA A 82 4.616 -8.809 -10.665 1.00 2.22 O ATOM 1245 CB ALA A 82 3.694 -5.775 -10.858 1.00 51.41 C ATOM 0 H ALA A 82 1.304 -6.074 -11.353 1.00 13.23 H new ATOM 0 HA ALA A 82 3.585 -7.238 -12.414 1.00 32.31 H new ATOM 0 HB1 ALA A 82 4.775 -5.856 -10.744 1.00 51.41 H new ATOM 0 HB2 ALA A 82 3.461 -4.952 -11.534 1.00 51.41 H new ATOM 0 HB3 ALA A 82 3.240 -5.585 -9.885 1.00 51.41 H new ATOM 1251 N ARG A 83 2.624 -8.619 -9.635 1.00 61.44 N ATOM 1252 CA ARG A 83 2.868 -9.728 -8.721 1.00 30.41 C ATOM 1253 C ARG A 83 3.025 -11.039 -9.486 1.00 35.43 C ATOM 1254 O ARG A 83 3.663 -11.977 -9.006 1.00 44.22 O ATOM 1255 CB ARG A 83 1.723 -9.847 -7.713 1.00 24.12 C ATOM 1256 CG ARG A 83 2.191 -9.970 -6.272 1.00 2.42 C ATOM 1257 CD ARG A 83 1.190 -9.355 -5.307 1.00 13.42 C ATOM 1258 NE ARG A 83 1.726 -9.254 -3.952 1.00 51.32 N ATOM 1259 CZ ARG A 83 1.837 -10.289 -3.127 1.00 1.52 C ATOM 1260 NH1 ARG A 83 1.452 -11.496 -3.516 1.00 52.14 N ATOM 1261 NH2 ARG A 83 2.335 -10.117 -1.909 1.00 2.11 N ATOM 0 H ARG A 83 1.718 -8.166 -9.517 1.00 61.44 H new ATOM 0 HA ARG A 83 3.796 -9.527 -8.185 1.00 30.41 H new ATOM 0 HB2 ARG A 83 1.078 -8.973 -7.803 1.00 24.12 H new ATOM 0 HB3 ARG A 83 1.117 -10.717 -7.965 1.00 24.12 H new ATOM 0 HG2 ARG A 83 2.338 -11.021 -6.025 1.00 2.42 H new ATOM 0 HG3 ARG A 83 3.157 -9.478 -6.159 1.00 2.42 H new ATOM 0 HD2 ARG A 83 0.909 -8.363 -5.660 1.00 13.42 H new ATOM 0 HD3 ARG A 83 0.282 -9.958 -5.294 1.00 13.42 H new ATOM 0 HE ARG A 83 2.032 -8.339 -3.621 1.00 51.32 H new ATOM 0 HH11 ARG A 83 1.069 -11.632 -4.452 1.00 52.14 H new ATOM 0 HH12 ARG A 83 1.539 -12.289 -2.880 1.00 52.14 H new ATOM 0 HH21 ARG A 83 2.633 -9.190 -1.606 1.00 2.11 H new ATOM 0 HH22 ARG A 83 2.420 -10.912 -1.276 1.00 2.11 H new ATOM 1275 N CYS A 84 2.437 -11.098 -10.676 1.00 2.33 N ATOM 1276 CA CYS A 84 2.510 -12.294 -11.507 1.00 21.45 C ATOM 1277 C CYS A 84 3.920 -12.491 -12.055 1.00 12.34 C ATOM 1278 O CYS A 84 4.269 -13.574 -12.524 1.00 14.44 O ATOM 1279 CB CYS A 84 1.510 -12.202 -12.660 1.00 12.53 C ATOM 1280 SG CYS A 84 1.260 -13.757 -13.548 1.00 5.34 S ATOM 0 H CYS A 84 1.904 -10.331 -11.087 1.00 2.33 H new ATOM 0 HA CYS A 84 2.258 -13.153 -10.885 1.00 21.45 H new ATOM 0 HB2 CYS A 84 0.551 -11.862 -12.269 1.00 12.53 H new ATOM 0 HB3 CYS A 84 1.854 -11.445 -13.365 1.00 12.53 H new ATOM 0 HG CYS A 84 2.365 -14.443 -13.542 1.00 5.34 H new ATOM 1286 N MET A 85 4.725 -11.435 -11.993 1.00 62.41 N ATOM 1287 CA MET A 85 6.097 -11.492 -12.484 1.00 23.11 C ATOM 1288 C MET A 85 7.008 -12.184 -11.474 1.00 74.44 C ATOM 1289 O MET A 85 7.691 -13.155 -11.802 1.00 52.21 O ATOM 1290 CB MET A 85 6.617 -10.083 -12.774 1.00 13.43 C ATOM 1291 CG MET A 85 5.891 -9.391 -13.916 1.00 43.35 C ATOM 1292 SD MET A 85 6.449 -9.955 -15.536 1.00 34.03 S ATOM 1293 CE MET A 85 4.971 -9.691 -16.513 1.00 42.12 C ATOM 0 H MET A 85 4.451 -10.531 -11.608 1.00 62.41 H new ATOM 0 HA MET A 85 6.101 -12.071 -13.408 1.00 23.11 H new ATOM 0 HB2 MET A 85 6.522 -9.477 -11.873 1.00 13.43 H new ATOM 0 HB3 MET A 85 7.680 -10.138 -13.010 1.00 13.43 H new ATOM 0 HG2 MET A 85 4.820 -9.570 -13.822 1.00 43.35 H new ATOM 0 HG3 MET A 85 6.042 -8.314 -13.838 1.00 43.35 H new ATOM 0 HE1 MET A 85 5.157 -9.994 -17.543 1.00 42.12 H new ATOM 0 HE2 MET A 85 4.153 -10.284 -16.103 1.00 42.12 H new ATOM 0 HE3 MET A 85 4.702 -8.635 -16.488 1.00 42.12 H new ATOM 1303 N LYS A 86 7.013 -11.680 -10.245 1.00 54.54 N ATOM 1304 CA LYS A 86 7.838 -12.249 -9.187 1.00 31.20 C ATOM 1305 C LYS A 86 7.209 -13.524 -8.634 1.00 24.33 C ATOM 1306 O LYS A 86 7.037 -13.668 -7.423 1.00 41.12 O ATOM 1307 CB LYS A 86 8.031 -11.233 -8.060 1.00 2.44 C ATOM 1308 CG LYS A 86 8.938 -10.073 -8.435 1.00 22.42 C ATOM 1309 CD LYS A 86 10.342 -10.549 -8.769 1.00 70.30 C ATOM 1310 CE LYS A 86 11.359 -9.426 -8.631 1.00 73.45 C ATOM 1311 NZ LYS A 86 11.654 -9.117 -7.205 1.00 71.20 N ATOM 0 H LYS A 86 6.454 -10.877 -9.957 1.00 54.54 H new ATOM 0 HA LYS A 86 8.810 -12.499 -9.613 1.00 31.20 H new ATOM 0 HB2 LYS A 86 7.058 -10.841 -7.765 1.00 2.44 H new ATOM 0 HB3 LYS A 86 8.447 -11.742 -7.191 1.00 2.44 H new ATOM 0 HG2 LYS A 86 8.519 -9.544 -9.291 1.00 22.42 H new ATOM 0 HG3 LYS A 86 8.980 -9.362 -7.610 1.00 22.42 H new ATOM 0 HD2 LYS A 86 10.615 -11.372 -8.108 1.00 70.30 H new ATOM 0 HD3 LYS A 86 10.363 -10.937 -9.787 1.00 70.30 H new ATOM 0 HE2 LYS A 86 12.281 -9.707 -9.140 1.00 73.45 H new ATOM 0 HE3 LYS A 86 10.981 -8.531 -9.126 1.00 73.45 H new ATOM 0 HZ1 LYS A 86 12.478 -8.485 -7.150 1.00 71.20 H new ATOM 0 HZ2 LYS A 86 10.831 -8.651 -6.773 1.00 71.20 H new ATOM 0 HZ3 LYS A 86 11.859 -9.999 -6.694 1.00 71.20 H new ATOM 1325 N ASP A 87 6.871 -14.447 -9.527 1.00 74.11 N ATOM 1326 CA ASP A 87 6.264 -15.712 -9.128 1.00 13.43 C ATOM 1327 C ASP A 87 7.310 -16.657 -8.545 1.00 41.45 C ATOM 1328 O ASP A 87 6.996 -17.514 -7.720 1.00 12.35 O ATOM 1329 CB ASP A 87 5.572 -16.370 -10.323 1.00 5.03 C ATOM 1330 CG ASP A 87 5.059 -17.760 -10.001 1.00 13.51 C ATOM 1331 OD1 ASP A 87 3.959 -17.865 -9.419 1.00 3.05 O ATOM 1332 OD2 ASP A 87 5.756 -18.742 -10.331 1.00 5.44 O ATOM 0 H ASP A 87 7.007 -14.343 -10.533 1.00 74.11 H new ATOM 0 HA ASP A 87 5.521 -15.503 -8.358 1.00 13.43 H new ATOM 0 HB2 ASP A 87 4.740 -15.745 -10.647 1.00 5.03 H new ATOM 0 HB3 ASP A 87 6.271 -16.428 -11.157 1.00 5.03 H new ATOM 1337 N ASP A 88 8.554 -16.495 -8.982 1.00 42.32 N ATOM 1338 CA ASP A 88 9.647 -17.333 -8.505 1.00 25.35 C ATOM 1339 C ASP A 88 10.433 -16.627 -7.404 1.00 62.11 C ATOM 1340 O ASP A 88 10.014 -15.586 -6.899 1.00 11.04 O ATOM 1341 CB ASP A 88 10.580 -17.699 -9.660 1.00 64.10 C ATOM 1342 CG ASP A 88 10.926 -19.175 -9.680 1.00 23.03 C ATOM 1343 OD1 ASP A 88 10.006 -20.003 -9.513 1.00 51.13 O ATOM 1344 OD2 ASP A 88 12.117 -19.502 -9.862 1.00 63.45 O ATOM 0 H ASP A 88 8.830 -15.791 -9.666 1.00 42.32 H new ATOM 0 HA ASP A 88 9.218 -18.246 -8.092 1.00 25.35 H new ATOM 0 HB2 ASP A 88 10.109 -17.427 -10.604 1.00 64.10 H new ATOM 0 HB3 ASP A 88 11.497 -17.115 -9.581 1.00 64.10 H new ATOM 1349 N SER A 89 11.574 -17.201 -7.037 1.00 65.21 N ATOM 1350 CA SER A 89 12.417 -16.630 -5.993 1.00 14.51 C ATOM 1351 C SER A 89 11.680 -16.598 -4.657 1.00 71.13 C ATOM 1352 O SER A 89 11.960 -15.728 -3.834 1.00 50.13 O ATOM 1353 CB SER A 89 12.856 -15.216 -6.379 1.00 53.14 C ATOM 1354 OG SER A 89 13.158 -15.136 -7.762 1.00 11.34 O ATOM 0 H SER A 89 11.936 -18.062 -7.447 1.00 65.21 H new ATOM 0 HA SER A 89 13.299 -17.261 -5.887 1.00 14.51 H new ATOM 0 HB2 SER A 89 12.065 -14.507 -6.134 1.00 53.14 H new ATOM 0 HB3 SER A 89 13.731 -14.931 -5.795 1.00 53.14 H new ATOM 0 HG SER A 89 13.434 -14.222 -7.984 1.00 11.34 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -8.148 1.334 -3.431 1.00 12.24 CA