USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 Single : A 1 SER N :NH3+ -129:sc= -0.179 (180deg=-1.86!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0485 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -48:sc= 0.297 USER MOD Single : A 12 GLN : amide:sc= -8.38! C(o=-8.4!,f=-9.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= 1.1 (180deg=0.767) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.153 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 30:sc= -0.733 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.33) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -3.19! K(o=-3.2!,f=-1.9) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00125 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 65:sc= 1.39 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -90:sc= -1.36 USER MOD Single : A 63 GLN : amide:sc= -0.769 K(o=-0.77,f=-2.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 66 THR OG1 : rot 56:sc= 0.782 USER MOD Single : A 68 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.018) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -60:sc= 0.141 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.405 4.195 -1.840 1.00 13.33 N ATOM 2 CA SER A 1 3.687 3.245 -2.681 1.00 35.35 C ATOM 3 C SER A 1 3.114 3.936 -3.914 1.00 73.53 C ATOM 4 O SER A 1 1.901 4.089 -4.065 1.00 4.24 O ATOM 5 CB SER A 1 2.561 2.578 -1.887 1.00 3.13 C ATOM 6 OG SER A 1 1.850 3.529 -1.113 1.00 63.02 O ATOM 0 H1 SER A 1 5.351 3.821 -1.623 1.00 13.33 H new ATOM 0 H2 SER A 1 4.498 5.101 -2.341 1.00 13.33 H new ATOM 0 H3 SER A 1 3.879 4.341 -0.955 1.00 13.33 H new ATOM 0 HA SER A 1 4.393 2.482 -3.009 1.00 35.35 H new ATOM 0 HB2 SER A 1 1.877 2.077 -2.571 1.00 3.13 H new ATOM 0 HB3 SER A 1 2.977 1.811 -1.234 1.00 3.13 H new ATOM 0 HG SER A 1 1.135 3.078 -0.617 1.00 63.02 H new ATOM 12 N PRO A 2 4.006 4.363 -4.820 1.00 20.20 N ATOM 13 CA PRO A 2 3.614 5.044 -6.057 1.00 71.04 C ATOM 14 C PRO A 2 2.919 4.107 -7.040 1.00 11.24 C ATOM 15 O PRO A 2 3.244 2.922 -7.120 1.00 41.50 O ATOM 16 CB PRO A 2 4.947 5.529 -6.633 1.00 12.00 C ATOM 17 CG PRO A 2 5.963 4.595 -6.073 1.00 5.21 C ATOM 18 CD PRO A 2 5.467 4.213 -4.706 1.00 55.30 C ATOM 0 HA PRO A 2 2.897 5.844 -5.872 1.00 71.04 H new ATOM 0 HB2 PRO A 2 4.941 5.501 -7.723 1.00 12.00 H new ATOM 0 HB3 PRO A 2 5.153 6.559 -6.342 1.00 12.00 H new ATOM 0 HG2 PRO A 2 6.076 3.715 -6.707 1.00 5.21 H new ATOM 0 HG3 PRO A 2 6.941 5.072 -6.014 1.00 5.21 H new ATOM 0 HD2 PRO A 2 5.747 3.192 -4.447 1.00 55.30 H new ATOM 0 HD3 PRO A 2 5.879 4.862 -3.933 1.00 55.30 H new ATOM 26 N LYS A 3 1.960 4.645 -7.786 1.00 3.41 N ATOM 27 CA LYS A 3 1.220 3.859 -8.765 1.00 34.41 C ATOM 28 C LYS A 3 1.557 4.301 -10.185 1.00 75.33 C ATOM 29 O LYS A 3 1.865 5.468 -10.427 1.00 52.32 O ATOM 30 CB LYS A 3 -0.286 3.990 -8.522 1.00 4.21 C ATOM 31 CG LYS A 3 -0.850 5.343 -8.921 1.00 32.41 C ATOM 32 CD LYS A 3 -2.235 5.563 -8.337 1.00 35.13 C ATOM 33 CE LYS A 3 -2.216 6.613 -7.237 1.00 1.23 C ATOM 34 NZ LYS A 3 -2.084 6.000 -5.886 1.00 71.32 N ATOM 0 H LYS A 3 1.677 5.623 -7.731 1.00 3.41 H new ATOM 0 HA LYS A 3 1.511 2.815 -8.650 1.00 34.41 H new ATOM 0 HB2 LYS A 3 -0.805 3.210 -9.080 1.00 4.21 H new ATOM 0 HB3 LYS A 3 -0.492 3.817 -7.466 1.00 4.21 H new ATOM 0 HG2 LYS A 3 -0.180 6.132 -8.580 1.00 32.41 H new ATOM 0 HG3 LYS A 3 -0.897 5.413 -10.008 1.00 32.41 H new ATOM 0 HD2 LYS A 3 -2.919 5.874 -9.127 1.00 35.13 H new ATOM 0 HD3 LYS A 3 -2.616 4.623 -7.938 1.00 35.13 H new ATOM 0 HE2 LYS A 3 -1.387 7.301 -7.406 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -3.133 7.201 -7.281 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -2.075 6.749 -5.164 1.00 71.32 H new ATOM 0 HZ2 LYS A 3 -2.888 5.363 -5.714 1.00 71.32 H new ATOM 0 HZ3 LYS A 3 -1.197 5.460 -5.835 1.00 71.32 H new ATOM 48 N THR A 4 1.494 3.361 -11.123 1.00 65.34 N ATOM 49 CA THR A 4 1.792 3.653 -12.520 1.00 5.43 C ATOM 50 C THR A 4 0.618 3.289 -13.421 1.00 1.14 C ATOM 51 O THR A 4 -0.313 2.605 -12.996 1.00 34.04 O ATOM 52 CB THR A 4 3.046 2.896 -12.997 1.00 73.24 C ATOM 53 OG1 THR A 4 3.770 2.388 -11.871 1.00 42.15 O ATOM 54 CG2 THR A 4 3.947 3.805 -13.819 1.00 22.10 C ATOM 0 H THR A 4 1.239 2.390 -10.940 1.00 65.34 H new ATOM 0 HA THR A 4 1.977 4.725 -12.586 1.00 5.43 H new ATOM 0 HB THR A 4 2.725 2.065 -13.626 1.00 73.24 H new ATOM 0 HG1 THR A 4 4.565 1.907 -12.183 1.00 42.15 H new ATOM 0 HG21 THR A 4 4.826 3.248 -14.145 1.00 22.10 H new ATOM 0 HG22 THR A 4 3.402 4.165 -14.691 1.00 22.10 H new ATOM 0 HG23 THR A 4 4.260 4.654 -13.211 1.00 22.10 H new ATOM 62 N ILE A 5 0.669 3.749 -14.666 1.00 52.40 N ATOM 63 CA ILE A 5 -0.391 3.470 -15.627 1.00 62.30 C ATOM 64 C ILE A 5 0.104 2.551 -16.739 1.00 40.21 C ATOM 65 O ILE A 5 1.195 2.743 -17.278 1.00 72.34 O ATOM 66 CB ILE A 5 -0.940 4.765 -16.253 1.00 4.51 C ATOM 67 CG1 ILE A 5 -1.784 4.443 -17.488 1.00 2.53 C ATOM 68 CG2 ILE A 5 0.202 5.704 -16.615 1.00 60.41 C ATOM 69 CD1 ILE A 5 -1.012 4.526 -18.786 1.00 2.31 C ATOM 0 H ILE A 5 1.433 4.317 -15.033 1.00 52.40 H new ATOM 0 HA ILE A 5 -1.192 2.975 -15.078 1.00 62.30 H new ATOM 0 HB ILE A 5 -1.576 5.263 -15.521 1.00 4.51 H new ATOM 0 HG12 ILE A 5 -2.197 3.440 -17.384 1.00 2.53 H new ATOM 0 HG13 ILE A 5 -2.627 5.132 -17.532 1.00 2.53 H new ATOM 0 HG21 ILE A 5 -0.202 6.615 -17.056 1.00 60.41 H new ATOM 0 HG22 ILE A 5 0.765 5.955 -15.716 1.00 60.41 H new ATOM 0 HG23 ILE A 5 0.862 5.215 -17.332 1.00 60.41 H new ATOM 0 HD11 ILE A 5 -1.673 4.285 -19.619 1.00 2.31 H new ATOM 0 HD12 ILE A 5 -0.621 5.536 -18.913 1.00 2.31 H new ATOM 0 HD13 ILE A 5 -0.185 3.817 -18.763 1.00 2.31 H new ATOM 81 N LEU A 6 -0.705 1.554 -17.079 1.00 52.12 N ATOM 82 CA LEU A 6 -0.351 0.606 -18.130 1.00 31.45 C ATOM 83 C LEU A 6 -1.150 0.877 -19.400 1.00 72.21 C ATOM 84 O LEU A 6 -0.736 0.506 -20.497 1.00 65.04 O ATOM 85 CB LEU A 6 -0.598 -0.827 -17.654 1.00 61.33 C ATOM 86 CG LEU A 6 -2.048 -1.309 -17.700 1.00 73.44 C ATOM 87 CD1 LEU A 6 -2.305 -2.110 -18.968 1.00 3.12 C ATOM 88 CD2 LEU A 6 -2.374 -2.140 -16.468 1.00 24.13 C ATOM 0 H LEU A 6 -1.610 1.381 -16.642 1.00 52.12 H new ATOM 0 HA LEU A 6 0.708 0.730 -18.357 1.00 31.45 H new ATOM 0 HB2 LEU A 6 0.007 -1.500 -18.262 1.00 61.33 H new ATOM 0 HB3 LEU A 6 -0.239 -0.915 -16.628 1.00 61.33 H new ATOM 0 HG LEU A 6 -2.700 -0.436 -17.708 1.00 73.44 H new ATOM 0 HD11 LEU A 6 -3.342 -2.445 -18.983 1.00 3.12 H new ATOM 0 HD12 LEU A 6 -2.113 -1.484 -19.839 1.00 3.12 H new ATOM 0 HD13 LEU A 6 -1.644 -2.976 -18.991 1.00 3.12 H new ATOM 0 HD21 LEU A 6 -3.410 -2.474 -16.518 1.00 24.13 H new ATOM 0 HD22 LEU A 6 -1.715 -3.007 -16.429 1.00 24.13 H new ATOM 0 HD23 LEU A 6 -2.231 -1.535 -15.573 1.00 24.13 H new ATOM 100 N GLY A 7 -2.298 1.529 -19.243 1.00 75.44 N ATOM 101 CA GLY A 7 -3.136 1.841 -20.386 1.00 74.55 C ATOM 102 C GLY A 7 -3.789 3.204 -20.272 1.00 43.03 C ATOM 103 O GLY A 7 -4.238 3.596 -19.195 1.00 2.21 O ATOM 0 H GLY A 7 -2.663 1.847 -18.345 1.00 75.44 H new ATOM 0 HA2 GLY A 7 -2.534 1.805 -21.294 1.00 74.55 H new ATOM 0 HA3 GLY A 7 -3.909 1.079 -20.485 1.00 74.55 H new ATOM 107 N ILE A 8 -3.840 3.929 -21.385 1.00 21.42 N ATOM 108 CA ILE A 8 -4.441 5.256 -21.404 1.00 54.23 C ATOM 109 C ILE A 8 -5.700 5.277 -22.265 1.00 60.11 C ATOM 110 O ILE A 8 -5.773 4.601 -23.291 1.00 20.14 O ATOM 111 CB ILE A 8 -3.454 6.314 -21.932 1.00 73.24 C ATOM 112 CG1 ILE A 8 -4.122 7.690 -21.977 1.00 35.44 C ATOM 113 CG2 ILE A 8 -2.945 5.922 -23.311 1.00 75.55 C ATOM 114 CD1 ILE A 8 -3.215 8.786 -22.490 1.00 73.31 C ATOM 0 H ILE A 8 -3.472 3.619 -22.285 1.00 21.42 H new ATOM 0 HA ILE A 8 -4.704 5.498 -20.374 1.00 54.23 H new ATOM 0 HB ILE A 8 -2.603 6.366 -21.253 1.00 73.24 H new ATOM 0 HG12 ILE A 8 -5.006 7.635 -22.612 1.00 35.44 H new ATOM 0 HG13 ILE A 8 -4.464 7.952 -20.976 1.00 35.44 H new ATOM 0 HG21 ILE A 8 -2.249 6.679 -23.671 1.00 75.55 H new ATOM 0 HG22 ILE A 8 -2.436 4.960 -23.251 1.00 75.55 H new ATOM 0 HG23 ILE A 8 -3.785 5.845 -24.001 1.00 75.55 H new ATOM 0 HD11 ILE A 8 -3.755 9.733 -22.494 1.00 73.31 H new ATOM 0 HD12 ILE A 8 -2.342 8.869 -21.842 1.00 73.31 H new ATOM 0 HD13 ILE A 8 -2.893 8.547 -23.504 1.00 73.31 H new ATOM 126 N GLU A 9 -6.688 6.059 -21.841 1.00 22.02 N ATOM 127 CA GLU A 9 -7.943 6.168 -22.574 1.00 53.33 C ATOM 128 C GLU A 9 -8.342 7.630 -22.756 1.00 45.14 C ATOM 129 O GLU A 9 -8.431 8.386 -21.789 1.00 0.11 O ATOM 130 CB GLU A 9 -9.055 5.413 -21.842 1.00 64.03 C ATOM 131 CG GLU A 9 -9.674 4.295 -22.664 1.00 51.11 C ATOM 132 CD GLU A 9 -11.020 3.851 -22.125 1.00 0.35 C ATOM 133 OE1 GLU A 9 -11.785 4.717 -21.652 1.00 53.40 O ATOM 134 OE2 GLU A 9 -11.308 2.637 -22.175 1.00 64.04 O ATOM 0 H GLU A 9 -6.643 6.626 -20.994 1.00 22.02 H new ATOM 0 HA GLU A 9 -7.798 5.723 -23.558 1.00 53.33 H new ATOM 0 HB2 GLU A 9 -8.652 4.994 -20.920 1.00 64.03 H new ATOM 0 HB3 GLU A 9 -9.836 6.119 -21.558 1.00 64.03 H new ATOM 0 HG2 GLU A 9 -9.792 4.629 -23.695 1.00 51.11 H new ATOM 0 HG3 GLU A 9 -8.995 3.443 -22.681 1.00 51.11 H new ATOM 141 N VAL A 10 -8.579 8.022 -24.004 1.00 70.43 N ATOM 142 CA VAL A 10 -8.968 9.392 -24.315 1.00 11.03 C ATOM 143 C VAL A 10 -10.450 9.619 -24.038 1.00 71.40 C ATOM 144 O VAL A 10 -11.308 8.929 -24.590 1.00 24.04 O ATOM 145 CB VAL A 10 -8.673 9.740 -25.786 1.00 22.22 C ATOM 146 CG1 VAL A 10 -9.379 8.766 -26.717 1.00 41.20 C ATOM 147 CG2 VAL A 10 -9.085 11.173 -26.087 1.00 70.22 C ATOM 0 H VAL A 10 -8.508 7.409 -24.816 1.00 70.43 H new ATOM 0 HA VAL A 10 -8.377 10.042 -23.670 1.00 11.03 H new ATOM 0 HB VAL A 10 -7.600 9.652 -25.954 1.00 22.22 H new ATOM 0 HG11 VAL A 10 -9.159 9.028 -27.752 1.00 41.20 H new ATOM 0 HG12 VAL A 10 -9.030 7.753 -26.517 1.00 41.20 H new ATOM 0 HG13 VAL A 10 -10.455 8.818 -26.550 1.00 41.20 H new ATOM 0 HG21 VAL A 10 -8.869 11.402 -27.131 1.00 70.22 H new ATOM 0 HG22 VAL A 10 -10.153 11.291 -25.903 1.00 70.22 H new ATOM 0 HG23 VAL A 10 -8.528 11.854 -25.444 1.00 70.22 H new ATOM 157 N SER A 11 -10.744 10.590 -23.180 1.00 55.32 N ATOM 158 CA SER A 11 -12.124 10.906 -22.827 1.00 45.41 C ATOM 159 C SER A 11 -12.338 12.416 -22.773 1.00 30.04 C ATOM 160 O SER A 11 -13.159 12.909 -21.999 1.00 63.23 O ATOM 161 CB SER A 11 -12.483 10.280 -21.479 1.00 35.24 C ATOM 162 OG SER A 11 -13.884 10.299 -21.265 1.00 73.52 O ATOM 0 H SER A 11 -10.046 11.172 -22.716 1.00 55.32 H new ATOM 0 HA SER A 11 -12.775 10.491 -23.597 1.00 45.41 H new ATOM 0 HB2 SER A 11 -12.120 9.253 -21.443 1.00 35.24 H new ATOM 0 HB3 SER A 11 -11.982 10.823 -20.677 1.00 35.24 H new ATOM 0 HG SER A 11 -14.232 11.195 -21.456 1.00 73.52 H new ATOM 168 N GLN A 12 -11.594 13.143 -23.599 1.00 43.25 N ATOM 169 CA GLN A 12 -11.702 14.597 -23.645 1.00 65.43 C ATOM 170 C GLN A 12 -12.494 15.045 -24.869 1.00 4.42 C ATOM 171 O GLN A 12 -12.223 14.611 -25.988 1.00 33.12 O ATOM 172 CB GLN A 12 -10.310 15.232 -23.662 1.00 71.05 C ATOM 173 CG GLN A 12 -9.368 14.607 -24.679 1.00 33.33 C ATOM 174 CD GLN A 12 -8.324 13.715 -24.036 1.00 13.24 C ATOM 175 OE1 GLN A 12 -7.153 13.740 -24.413 1.00 65.11 O ATOM 176 NE2 GLN A 12 -8.745 12.921 -23.058 1.00 3.00 N ATOM 0 H GLN A 12 -10.910 12.750 -24.246 1.00 43.25 H new ATOM 0 HA GLN A 12 -12.233 14.926 -22.752 1.00 65.43 H new ATOM 0 HB2 GLN A 12 -10.408 16.296 -23.876 1.00 71.05 H new ATOM 0 HB3 GLN A 12 -9.868 15.146 -22.669 1.00 71.05 H new ATOM 0 HG2 GLN A 12 -9.947 14.024 -25.395 1.00 33.33 H new ATOM 0 HG3 GLN A 12 -8.869 15.397 -25.240 1.00 33.33 H new ATOM 0 HE21 GLN A 12 -9.726 12.933 -22.778 1.00 3.00 H new ATOM 0 HE22 GLN A 12 -8.088 12.299 -22.587 1.00 3.00 H new ATOM 185 N GLU A 13 -13.472 15.917 -24.647 1.00 55.10 N ATOM 186 CA GLU A 13 -14.304 16.423 -25.733 1.00 13.25 C ATOM 187 C GLU A 13 -13.957 17.874 -26.053 1.00 44.13 C ATOM 188 O GLU A 13 -13.429 18.611 -25.220 1.00 52.32 O ATOM 189 CB GLU A 13 -15.785 16.312 -25.365 1.00 33.54 C ATOM 190 CG GLU A 13 -16.329 14.896 -25.453 1.00 73.42 C ATOM 191 CD GLU A 13 -16.403 14.213 -24.101 1.00 50.30 C ATOM 192 OE1 GLU A 13 -15.549 14.508 -23.240 1.00 4.24 O ATOM 193 OE2 GLU A 13 -17.316 13.384 -23.905 1.00 12.24 O ATOM 0 H GLU A 13 -13.708 16.288 -23.726 1.00 55.10 H new ATOM 0 HA GLU A 13 -14.110 15.817 -26.618 1.00 13.25 H new ATOM 0 HB2 GLU A 13 -15.928 16.685 -24.351 1.00 33.54 H new ATOM 0 HB3 GLU A 13 -16.364 16.957 -26.026 1.00 33.54 H new ATOM 0 HG2 GLU A 13 -17.324 14.920 -25.898 1.00 73.42 H new ATOM 0 HG3 GLU A 13 -15.696 14.309 -26.118 1.00 73.42 H new ATOM 200 N PRO A 14 -14.258 18.295 -27.291 1.00 33.42 N ATOM 201 CA PRO A 14 -13.987 19.660 -27.751 1.00 61.41 C ATOM 202 C PRO A 14 -14.887 20.689 -27.076 1.00 71.21 C ATOM 203 O PRO A 14 -16.097 20.490 -26.960 1.00 43.22 O ATOM 204 CB PRO A 14 -14.282 19.593 -29.252 1.00 10.24 C ATOM 205 CG PRO A 14 -15.251 18.471 -29.398 1.00 25.31 C ATOM 206 CD PRO A 14 -14.888 17.470 -28.336 1.00 30.03 C ATOM 0 HA PRO A 14 -12.970 19.975 -27.516 1.00 61.41 H new ATOM 0 HB2 PRO A 14 -14.704 20.530 -29.615 1.00 10.24 H new ATOM 0 HB3 PRO A 14 -13.374 19.409 -29.826 1.00 10.24 H new ATOM 0 HG2 PRO A 14 -16.275 18.821 -29.271 1.00 25.31 H new ATOM 0 HG3 PRO A 14 -15.187 18.027 -30.391 1.00 25.31 H new ATOM 0 HD2 PRO A 14 -15.767 16.947 -27.960 1.00 30.03 H new ATOM 0 HD3 PRO A 14 -14.204 16.711 -28.716 1.00 30.03 H new ATOM 214 N LYS A 15 -14.290 21.790 -26.632 1.00 71.33 N ATOM 215 CA LYS A 15 -15.038 22.852 -25.970 1.00 44.00 C ATOM 216 C LYS A 15 -14.132 24.038 -25.653 1.00 55.21 C ATOM 217 O LYS A 15 -14.183 25.068 -26.325 1.00 53.44 O ATOM 218 CB LYS A 15 -15.678 22.327 -24.683 1.00 2.32 C ATOM 219 CG LYS A 15 -16.431 23.390 -23.901 1.00 24.21 C ATOM 220 CD LYS A 15 -17.695 23.823 -24.624 1.00 32.25 C ATOM 221 CE LYS A 15 -18.925 23.127 -24.060 1.00 40.31 C ATOM 222 NZ LYS A 15 -19.612 22.296 -25.088 1.00 3.35 N ATOM 0 H LYS A 15 -13.290 21.970 -26.719 1.00 71.33 H new ATOM 0 HA LYS A 15 -15.823 23.187 -26.648 1.00 44.00 H new ATOM 0 HB2 LYS A 15 -16.364 21.517 -24.932 1.00 2.32 H new ATOM 0 HB3 LYS A 15 -14.901 21.903 -24.047 1.00 2.32 H new ATOM 0 HG2 LYS A 15 -16.689 23.003 -22.915 1.00 24.21 H new ATOM 0 HG3 LYS A 15 -15.785 24.254 -23.746 1.00 24.21 H new ATOM 0 HD2 LYS A 15 -17.814 24.903 -24.536 1.00 32.25 H new ATOM 0 HD3 LYS A 15 -17.603 23.598 -25.687 1.00 32.25 H new ATOM 0 HE2 LYS A 15 -18.633 22.497 -23.220 1.00 40.31 H new ATOM 0 HE3 LYS A 15 -19.619 23.873 -23.673 1.00 40.31 H new ATOM 0 HZ1 LYS A 15 -20.445 21.838 -24.665 1.00 3.35 H new ATOM 0 HZ2 LYS A 15 -19.914 22.901 -25.878 1.00 3.35 H new ATOM 0 HZ3 LYS A 15 -18.958 21.568 -25.439 1.00 3.35 H new ATOM 236 N LYS A 16 -13.303 23.886 -24.626 1.00 53.01 N ATOM 237 CA LYS A 16 -12.384 24.943 -24.221 1.00 71.11 C ATOM 238 C LYS A 16 -12.932 26.315 -24.600 1.00 41.21 C ATOM 239 O LYS A 16 -12.506 26.912 -25.589 1.00 10.52 O ATOM 240 CB LYS A 16 -11.014 24.732 -24.870 1.00 32.12 C ATOM 241 CG LYS A 16 -11.090 24.316 -26.329 1.00 23.54 C ATOM 242 CD LYS A 16 -10.994 22.807 -26.484 1.00 4.05 C ATOM 243 CE LYS A 16 -9.592 22.303 -26.177 1.00 4.42 C ATOM 244 NZ LYS A 16 -9.598 20.884 -25.727 1.00 32.15 N ATOM 0 H LYS A 16 -13.249 23.040 -24.058 1.00 53.01 H new ATOM 0 HA LYS A 16 -12.276 24.901 -23.137 1.00 71.11 H new ATOM 0 HB2 LYS A 16 -10.439 25.655 -24.793 1.00 32.12 H new ATOM 0 HB3 LYS A 16 -10.470 23.970 -24.311 1.00 32.12 H new ATOM 0 HG2 LYS A 16 -12.027 24.668 -26.760 1.00 23.54 H new ATOM 0 HG3 LYS A 16 -10.283 24.792 -26.887 1.00 23.54 H new ATOM 0 HD2 LYS A 16 -11.709 22.325 -25.817 1.00 4.05 H new ATOM 0 HD3 LYS A 16 -11.268 22.527 -27.501 1.00 4.05 H new ATOM 0 HE2 LYS A 16 -8.969 22.399 -27.066 1.00 4.42 H new ATOM 0 HE3 LYS A 16 -9.143 22.927 -25.404 1.00 4.42 H new ATOM 0 HZ1 LYS A 16 -8.689 20.659 -25.275 1.00 32.15 H new ATOM 0 HZ2 LYS A 16 -10.369 20.740 -25.044 1.00 32.15 H new ATOM 0 HZ3 LYS A 16 -9.741 20.260 -26.547 1.00 32.15 H new ATOM 258 N ASP A 17 -13.876 26.809 -23.808 1.00 15.54 N ATOM 259 CA ASP A 17 -14.480 28.113 -24.059 1.00 35.22 C ATOM 260 C ASP A 17 -14.374 29.008 -22.828 1.00 22.52 C ATOM 261 O ASP A 17 -14.855 28.658 -21.750 1.00 74.40 O ATOM 262 CB ASP A 17 -15.947 27.950 -24.461 1.00 12.12 C ATOM 263 CG ASP A 17 -16.620 29.278 -24.747 1.00 43.24 C ATOM 264 OD1 ASP A 17 -16.552 29.741 -25.906 1.00 24.53 O ATOM 265 OD2 ASP A 17 -17.215 29.855 -23.814 1.00 20.15 O ATOM 0 H ASP A 17 -14.240 26.327 -22.986 1.00 15.54 H new ATOM 0 HA ASP A 17 -13.937 28.586 -24.877 1.00 35.22 H new ATOM 0 HB2 ASP A 17 -16.010 27.316 -25.346 1.00 12.12 H new ATOM 0 HB3 ASP A 17 -16.485 27.438 -23.663 1.00 12.12 H new ATOM 270 N TYR A 18 -13.739 30.162 -22.996 1.00 14.45 N ATOM 271 CA TYR A 18 -13.566 31.106 -21.897 1.00 73.23 C ATOM 272 C TYR A 18 -14.260 32.430 -22.202 1.00 44.14 C ATOM 273 O TYR A 18 -14.198 32.933 -23.325 1.00 45.11 O ATOM 274 CB TYR A 18 -12.079 31.345 -21.633 1.00 1.24 C ATOM 275 CG TYR A 18 -11.195 30.195 -22.060 1.00 11.14 C ATOM 276 CD1 TYR A 18 -11.377 28.921 -21.536 1.00 10.35 C ATOM 277 CD2 TYR A 18 -10.178 30.382 -22.988 1.00 55.32 C ATOM 278 CE1 TYR A 18 -10.571 27.868 -21.922 1.00 53.03 C ATOM 279 CE2 TYR A 18 -9.369 29.334 -23.382 1.00 41.40 C ATOM 280 CZ TYR A 18 -9.569 28.079 -22.846 1.00 1.41 C ATOM 281 OH TYR A 18 -8.765 27.032 -23.235 1.00 11.42 O ATOM 0 H TYR A 18 -13.335 30.467 -23.882 1.00 14.45 H new ATOM 0 HA TYR A 18 -14.022 30.675 -21.006 1.00 73.23 H new ATOM 0 HB2 TYR A 18 -11.766 32.247 -22.158 1.00 1.24 H new ATOM 0 HB3 TYR A 18 -11.933 31.529 -20.569 1.00 1.24 H new ATOM 0 HD1 TYR A 18 -12.162 28.751 -20.814 1.00 10.35 H new ATOM 0 HD2 TYR A 18 -10.017 31.364 -23.409 1.00 55.32 H new ATOM 0 HE1 TYR A 18 -10.724 26.885 -21.503 1.00 53.03 H new ATOM 0 HE2 TYR A 18 -8.584 29.496 -24.106 1.00 41.40 H new ATOM 0 HH TYR A 18 -8.110 27.349 -23.892 1.00 11.42 H new ATOM 291 N LEU A 19 -14.920 32.990 -21.195 1.00 4.51 N ATOM 292 CA LEU A 19 -15.625 34.258 -21.353 1.00 31.51 C ATOM 293 C LEU A 19 -14.708 35.435 -21.037 1.00 21.41 C ATOM 294 O LEU A 19 -13.911 35.380 -20.100 1.00 11.30 O ATOM 295 CB LEU A 19 -16.855 34.296 -20.444 1.00 22.01 C ATOM 296 CG LEU A 19 -16.585 34.173 -18.944 1.00 23.21 C ATOM 297 CD1 LEU A 19 -16.237 35.529 -18.351 1.00 4.30 C ATOM 298 CD2 LEU A 19 -17.788 33.571 -18.233 1.00 30.10 C ATOM 0 H LEU A 19 -14.982 32.587 -20.260 1.00 4.51 H new ATOM 0 HA LEU A 19 -15.945 34.341 -22.392 1.00 31.51 H new ATOM 0 HB2 LEU A 19 -17.385 35.232 -20.622 1.00 22.01 H new ATOM 0 HB3 LEU A 19 -17.525 33.489 -20.740 1.00 22.01 H new ATOM 0 HG LEU A 19 -15.733 33.508 -18.801 1.00 23.21 H new ATOM 0 HD11 LEU A 19 -16.048 35.421 -17.283 1.00 4.30 H new ATOM 0 HD12 LEU A 19 -15.345 35.922 -18.839 1.00 4.30 H new ATOM 0 HD13 LEU A 19 -17.068 36.218 -18.505 1.00 4.30 H new ATOM 0 HD21 LEU A 19 -17.578 33.491 -17.166 1.00 30.10 H new ATOM 0 HD22 LEU A 19 -18.658 34.210 -18.384 1.00 30.10 H new ATOM 0 HD23 LEU A 19 -17.992 32.580 -18.638 1.00 30.10 H new ATOM 310 N VAL A 20 -14.827 36.499 -21.824 1.00 14.33 N ATOM 311 CA VAL A 20 -14.012 37.691 -21.626 1.00 43.50 C ATOM 312 C VAL A 20 -14.139 38.214 -20.199 1.00 64.24 C ATOM 313 O VAL A 20 -15.243 38.368 -19.679 1.00 61.15 O ATOM 314 CB VAL A 20 -14.406 38.811 -22.608 1.00 33.32 C ATOM 315 CG1 VAL A 20 -14.122 38.389 -24.041 1.00 62.32 C ATOM 316 CG2 VAL A 20 -15.872 39.180 -22.433 1.00 4.11 C ATOM 0 H VAL A 20 -15.480 36.560 -22.605 1.00 14.33 H new ATOM 0 HA VAL A 20 -12.978 37.401 -21.813 1.00 43.50 H new ATOM 0 HB VAL A 20 -13.804 39.692 -22.388 1.00 33.32 H new ATOM 0 HG11 VAL A 20 -14.407 39.193 -24.720 1.00 62.32 H new ATOM 0 HG12 VAL A 20 -13.059 38.178 -24.154 1.00 62.32 H new ATOM 0 HG13 VAL A 20 -14.697 37.494 -24.277 1.00 62.32 H new ATOM 0 HG21 VAL A 20 -16.134 39.972 -23.134 1.00 4.11 H new ATOM 0 HG22 VAL A 20 -16.493 38.305 -22.626 1.00 4.11 H new ATOM 0 HG23 VAL A 20 -16.041 39.527 -21.414 1.00 4.11 H new ATOM 326 N GLY A 21 -12.999 38.486 -19.571 1.00 22.53 N ATOM 327 CA GLY A 21 -13.004 38.988 -18.209 1.00 52.44 C ATOM 328 C GLY A 21 -12.565 37.943 -17.203 1.00 41.15 C ATOM 329 O GLY A 21 -12.528 38.206 -16.001 1.00 64.33 O ATOM 0 H GLY A 21 -12.072 38.368 -19.981 1.00 22.53 H new ATOM 0 HA2 GLY A 21 -12.344 39.852 -18.142 1.00 52.44 H new ATOM 0 HA3 GLY A 21 -14.007 39.332 -17.956 1.00 52.44 H new ATOM 333 N ASP A 22 -12.233 36.754 -17.695 1.00 10.32 N ATOM 334 CA ASP A 22 -11.795 35.665 -16.830 1.00 63.12 C ATOM 335 C ASP A 22 -10.744 34.807 -17.528 1.00 23.24 C ATOM 336 O ASP A 22 -9.630 34.645 -17.029 1.00 70.51 O ATOM 337 CB ASP A 22 -12.987 34.800 -16.420 1.00 32.51 C ATOM 338 CG ASP A 22 -12.752 34.072 -15.111 1.00 3.44 C ATOM 339 OD1 ASP A 22 -11.778 34.415 -14.408 1.00 45.20 O ATOM 340 OD2 ASP A 22 -13.542 33.161 -14.788 1.00 50.20 O ATOM 0 H ASP A 22 -12.259 36.520 -18.688 1.00 10.32 H new ATOM 0 HA ASP A 22 -11.348 36.100 -15.936 1.00 63.12 H new ATOM 0 HB2 ASP A 22 -13.873 35.428 -16.329 1.00 32.51 H new ATOM 0 HB3 ASP A 22 -13.191 34.072 -17.205 1.00 32.51 H new ATOM 345 N SER A 23 -11.106 34.259 -18.683 1.00 33.30 N ATOM 346 CA SER A 23 -10.196 33.413 -19.447 1.00 34.03 C ATOM 347 C SER A 23 -9.860 32.141 -18.674 1.00 42.13 C ATOM 348 O SER A 23 -9.889 32.122 -17.443 1.00 12.20 O ATOM 349 CB SER A 23 -8.913 34.177 -19.778 1.00 20.03 C ATOM 350 OG SER A 23 -9.152 35.572 -19.841 1.00 51.35 O ATOM 0 H SER A 23 -12.023 34.385 -19.111 1.00 33.30 H new ATOM 0 HA SER A 23 -10.693 33.132 -20.376 1.00 34.03 H new ATOM 0 HB2 SER A 23 -8.156 33.968 -19.022 1.00 20.03 H new ATOM 0 HB3 SER A 23 -8.515 33.830 -20.731 1.00 20.03 H new ATOM 0 HG SER A 23 -8.316 36.038 -20.052 1.00 51.35 H new ATOM 356 N LEU A 24 -9.540 31.079 -19.406 1.00 11.50 N ATOM 357 CA LEU A 24 -9.197 29.802 -18.791 1.00 72.33 C ATOM 358 C LEU A 24 -10.380 29.238 -18.011 1.00 12.25 C ATOM 359 O LEU A 24 -10.743 29.756 -16.954 1.00 41.01 O ATOM 360 CB LEU A 24 -7.992 29.966 -17.864 1.00 43.42 C ATOM 361 CG LEU A 24 -6.647 29.499 -18.422 1.00 40.24 C ATOM 362 CD1 LEU A 24 -5.583 30.566 -18.214 1.00 21.51 C ATOM 363 CD2 LEU A 24 -6.226 28.189 -17.773 1.00 11.03 C ATOM 0 H LEU A 24 -9.511 31.077 -20.426 1.00 11.50 H new ATOM 0 HA LEU A 24 -8.942 29.101 -19.586 1.00 72.33 H new ATOM 0 HB2 LEU A 24 -7.906 31.019 -17.596 1.00 43.42 H new ATOM 0 HB3 LEU A 24 -8.190 29.418 -16.943 1.00 43.42 H new ATOM 0 HG LEU A 24 -6.759 29.331 -19.493 1.00 40.24 H new ATOM 0 HD11 LEU A 24 -4.633 30.216 -18.617 1.00 21.51 H new ATOM 0 HD12 LEU A 24 -5.880 31.481 -18.727 1.00 21.51 H new ATOM 0 HD13 LEU A 24 -5.473 30.767 -17.148 1.00 21.51 H new ATOM 0 HD21 LEU A 24 -5.267 27.872 -18.182 1.00 11.03 H new ATOM 0 HD22 LEU A 24 -6.132 28.330 -16.696 1.00 11.03 H new ATOM 0 HD23 LEU A 24 -6.977 27.425 -17.975 1.00 11.03 H new ATOM 375 N ASP A 25 -10.976 28.174 -18.536 1.00 73.24 N ATOM 376 CA ASP A 25 -12.117 27.537 -17.887 1.00 45.33 C ATOM 377 C ASP A 25 -12.552 26.292 -18.653 1.00 21.43 C ATOM 378 O ASP A 25 -13.711 26.168 -19.051 1.00 42.34 O ATOM 379 CB ASP A 25 -13.284 28.520 -17.781 1.00 21.20 C ATOM 380 CG ASP A 25 -14.143 28.268 -16.557 1.00 44.32 C ATOM 381 OD1 ASP A 25 -13.687 28.582 -15.437 1.00 63.14 O ATOM 382 OD2 ASP A 25 -15.271 27.759 -16.719 1.00 61.21 O ATOM 0 H ASP A 25 -10.688 27.733 -19.410 1.00 73.24 H new ATOM 0 HA ASP A 25 -11.813 27.237 -16.884 1.00 45.33 H new ATOM 0 HB2 ASP A 25 -12.896 29.538 -17.746 1.00 21.20 H new ATOM 0 HB3 ASP A 25 -13.901 28.445 -18.676 1.00 21.20 H new ATOM 387 N LEU A 26 -11.616 25.371 -18.856 1.00 1.04 N ATOM 388 CA LEU A 26 -11.902 24.134 -19.574 1.00 52.45 C ATOM 389 C LEU A 26 -12.268 23.014 -18.606 1.00 73.14 C ATOM 390 O LEU A 26 -11.527 22.725 -17.667 1.00 14.23 O ATOM 391 CB LEU A 26 -10.695 23.721 -20.418 1.00 72.33 C ATOM 392 CG LEU A 26 -10.783 22.349 -21.088 1.00 21.10 C ATOM 393 CD1 LEU A 26 -11.917 22.321 -22.101 1.00 20.12 C ATOM 394 CD2 LEU A 26 -9.461 21.995 -21.754 1.00 53.34 C ATOM 0 H LEU A 26 -10.652 25.458 -18.533 1.00 1.04 H new ATOM 0 HA LEU A 26 -12.753 24.313 -20.231 1.00 52.45 H new ATOM 0 HB2 LEU A 26 -10.544 24.473 -21.193 1.00 72.33 H new ATOM 0 HB3 LEU A 26 -9.810 23.737 -19.782 1.00 72.33 H new ATOM 0 HG LEU A 26 -10.991 21.604 -20.320 1.00 21.10 H new ATOM 0 HD11 LEU A 26 -11.964 21.337 -22.567 1.00 20.12 H new ATOM 0 HD12 LEU A 26 -12.861 22.529 -21.597 1.00 20.12 H new ATOM 0 HD13 LEU A 26 -11.740 23.077 -22.866 1.00 20.12 H new ATOM 0 HD21 LEU A 26 -9.542 21.016 -22.226 1.00 53.34 H new ATOM 0 HD22 LEU A 26 -9.223 22.743 -22.510 1.00 53.34 H new ATOM 0 HD23 LEU A 26 -8.670 21.972 -21.004 1.00 53.34 H new ATOM 406 N SER A 27 -13.415 22.385 -18.844 1.00 22.31 N ATOM 407 CA SER A 27 -13.880 21.296 -17.992 1.00 51.50 C ATOM 408 C SER A 27 -14.397 20.132 -18.832 1.00 0.23 C ATOM 409 O SER A 27 -14.969 19.179 -18.304 1.00 63.01 O ATOM 410 CB SER A 27 -14.982 21.791 -17.053 1.00 3.23 C ATOM 411 OG SER A 27 -14.523 21.845 -15.713 1.00 35.11 O ATOM 0 H SER A 27 -14.039 22.610 -19.619 1.00 22.31 H new ATOM 0 HA SER A 27 -13.036 20.946 -17.398 1.00 51.50 H new ATOM 0 HB2 SER A 27 -15.315 22.780 -17.367 1.00 3.23 H new ATOM 0 HB3 SER A 27 -15.845 21.129 -17.119 1.00 3.23 H new ATOM 0 HG SER A 27 -15.245 22.166 -15.133 1.00 35.11 H new ATOM 417 N GLU A 28 -14.191 20.219 -20.142 1.00 61.42 N ATOM 418 CA GLU A 28 -14.637 19.173 -21.055 1.00 62.15 C ATOM 419 C GLU A 28 -13.461 18.316 -21.517 1.00 53.44 C ATOM 420 O GLU A 28 -13.645 17.204 -22.010 1.00 53.43 O ATOM 421 CB GLU A 28 -15.340 19.789 -22.267 1.00 34.33 C ATOM 422 CG GLU A 28 -16.852 19.854 -22.125 1.00 22.43 C ATOM 423 CD GLU A 28 -17.548 18.658 -22.745 1.00 61.30 C ATOM 424 OE1 GLU A 28 -17.286 17.522 -22.297 1.00 61.43 O ATOM 425 OE2 GLU A 28 -18.354 18.858 -23.678 1.00 23.54 O ATOM 0 H GLU A 28 -13.719 21.002 -20.595 1.00 61.42 H new ATOM 0 HA GLU A 28 -15.341 18.536 -20.520 1.00 62.15 H new ATOM 0 HB2 GLU A 28 -14.955 20.796 -22.427 1.00 34.33 H new ATOM 0 HB3 GLU A 28 -15.091 19.208 -23.155 1.00 34.33 H new ATOM 0 HG2 GLU A 28 -17.112 19.913 -21.068 1.00 22.43 H new ATOM 0 HG3 GLU A 28 -17.218 20.767 -22.595 1.00 22.43 H new ATOM 432 N GLY A 29 -12.252 18.844 -21.354 1.00 42.23 N ATOM 433 CA GLY A 29 -11.064 18.116 -21.760 1.00 22.12 C ATOM 434 C GLY A 29 -10.488 17.275 -20.638 1.00 2.55 C ATOM 435 O GLY A 29 -9.480 17.642 -20.032 1.00 54.44 O ATOM 0 H GLY A 29 -12.074 19.763 -20.948 1.00 42.23 H new ATOM 0 HA2 GLY A 29 -11.307 17.472 -22.605 1.00 22.12 H new ATOM 0 HA3 GLY A 29 -10.309 18.822 -22.105 1.00 22.12 H new ATOM 439 N ARG A 30 -11.129 16.145 -20.358 1.00 1.44 N ATOM 440 CA ARG A 30 -10.676 15.252 -19.298 1.00 44.13 C ATOM 441 C ARG A 30 -10.130 13.951 -19.880 1.00 52.44 C ATOM 442 O ARG A 30 -10.513 13.540 -20.976 1.00 14.41 O ATOM 443 CB ARG A 30 -11.822 14.950 -18.332 1.00 31.42 C ATOM 444 CG ARG A 30 -12.839 13.963 -18.883 1.00 1.34 C ATOM 445 CD ARG A 30 -14.256 14.502 -18.767 1.00 74.22 C ATOM 446 NE ARG A 30 -15.249 13.532 -19.223 1.00 40.54 N ATOM 447 CZ ARG A 30 -16.559 13.751 -19.190 1.00 62.23 C ATOM 448 NH1 ARG A 30 -17.031 14.899 -18.725 1.00 52.01 N ATOM 449 NH2 ARG A 30 -17.399 12.820 -19.623 1.00 71.35 N ATOM 0 H ARG A 30 -11.963 15.826 -20.850 1.00 1.44 H new ATOM 0 HA ARG A 30 -9.874 15.751 -18.754 1.00 44.13 H new ATOM 0 HB2 ARG A 30 -11.409 14.554 -17.404 1.00 31.42 H new ATOM 0 HB3 ARG A 30 -12.330 15.881 -18.082 1.00 31.42 H new ATOM 0 HG2 ARG A 30 -12.613 13.751 -19.928 1.00 1.34 H new ATOM 0 HG3 ARG A 30 -12.762 13.019 -18.343 1.00 1.34 H new ATOM 0 HD2 ARG A 30 -14.459 14.768 -17.730 1.00 74.22 H new ATOM 0 HD3 ARG A 30 -14.346 15.416 -19.354 1.00 74.22 H new ATOM 0 HE ARG A 30 -14.918 12.638 -19.586 1.00 40.54 H new ATOM 0 HH11 ARG A 30 -16.388 15.617 -18.391 1.00 52.01 H new ATOM 0 HH12 ARG A 30 -18.037 15.064 -18.701 1.00 52.01 H new ATOM 0 HH21 ARG A 30 -17.039 11.935 -19.981 1.00 71.35 H new ATOM 0 HH22 ARG A 30 -18.405 12.989 -19.597 1.00 71.35 H new ATOM 463 N PHE A 31 -9.233 13.308 -19.140 1.00 53.22 N ATOM 464 CA PHE A 31 -8.634 12.055 -19.583 1.00 62.22 C ATOM 465 C PHE A 31 -8.751 10.984 -18.503 1.00 31.14 C ATOM 466 O PHE A 31 -8.730 11.286 -17.310 1.00 23.32 O ATOM 467 CB PHE A 31 -7.163 12.269 -19.947 1.00 51.03 C ATOM 468 CG PHE A 31 -6.490 13.328 -19.123 1.00 4.35 C ATOM 469 CD1 PHE A 31 -6.526 14.657 -19.514 1.00 11.04 C ATOM 470 CD2 PHE A 31 -5.819 12.995 -17.956 1.00 54.34 C ATOM 471 CE1 PHE A 31 -5.908 15.634 -18.757 1.00 4.42 C ATOM 472 CE2 PHE A 31 -5.200 13.968 -17.195 1.00 44.34 C ATOM 473 CZ PHE A 31 -5.243 15.289 -17.597 1.00 4.23 C ATOM 0 H PHE A 31 -8.905 13.634 -18.231 1.00 53.22 H new ATOM 0 HA PHE A 31 -9.175 11.716 -20.467 1.00 62.22 H new ATOM 0 HB2 PHE A 31 -6.626 11.328 -19.824 1.00 51.03 H new ATOM 0 HB3 PHE A 31 -7.093 12.541 -21.000 1.00 51.03 H new ATOM 0 HD1 PHE A 31 -7.043 14.932 -20.421 1.00 11.04 H new ATOM 0 HD2 PHE A 31 -5.780 11.963 -17.638 1.00 54.34 H new ATOM 0 HE1 PHE A 31 -5.945 16.666 -19.072 1.00 4.42 H new ATOM 0 HE2 PHE A 31 -4.683 13.696 -16.287 1.00 44.34 H new ATOM 0 HZ PHE A 31 -4.757 16.051 -17.005 1.00 4.23 H new ATOM 483 N ALA A 32 -8.876 9.732 -18.930 1.00 61.31 N ATOM 484 CA ALA A 32 -8.995 8.616 -18.000 1.00 73.53 C ATOM 485 C ALA A 32 -7.725 7.772 -17.989 1.00 71.24 C ATOM 486 O ALA A 32 -7.326 7.220 -19.015 1.00 25.02 O ATOM 487 CB ALA A 32 -10.199 7.756 -18.359 1.00 2.41 C ATOM 0 H ALA A 32 -8.897 9.465 -19.914 1.00 61.31 H new ATOM 0 HA ALA A 32 -9.138 9.023 -16.999 1.00 73.53 H new ATOM 0 HB1 ALA A 32 -10.276 6.926 -17.656 1.00 2.41 H new ATOM 0 HB2 ALA A 32 -11.105 8.360 -18.308 1.00 2.41 H new ATOM 0 HB3 ALA A 32 -10.079 7.366 -19.370 1.00 2.41 H new ATOM 493 N VAL A 33 -7.094 7.676 -16.824 1.00 4.24 N ATOM 494 CA VAL A 33 -5.868 6.899 -16.679 1.00 54.23 C ATOM 495 C VAL A 33 -6.127 5.601 -15.924 1.00 20.51 C ATOM 496 O VAL A 33 -6.735 5.603 -14.854 1.00 52.42 O ATOM 497 CB VAL A 33 -4.779 7.701 -15.942 1.00 60.24 C ATOM 498 CG1 VAL A 33 -5.196 7.972 -14.505 1.00 25.43 C ATOM 499 CG2 VAL A 33 -3.450 6.962 -15.991 1.00 0.20 C ATOM 0 H VAL A 33 -7.411 8.127 -15.966 1.00 4.24 H new ATOM 0 HA VAL A 33 -5.519 6.667 -17.685 1.00 54.23 H new ATOM 0 HB VAL A 33 -4.654 8.660 -16.445 1.00 60.24 H new ATOM 0 HG11 VAL A 33 -4.414 8.540 -14.000 1.00 25.43 H new ATOM 0 HG12 VAL A 33 -6.123 8.545 -14.497 1.00 25.43 H new ATOM 0 HG13 VAL A 33 -5.350 7.026 -13.986 1.00 25.43 H new ATOM 0 HG21 VAL A 33 -2.691 7.542 -15.466 1.00 0.20 H new ATOM 0 HG22 VAL A 33 -3.557 5.988 -15.513 1.00 0.20 H new ATOM 0 HG23 VAL A 33 -3.148 6.825 -17.029 1.00 0.20 H new ATOM 509 N ALA A 34 -5.660 4.491 -16.488 1.00 12.41 N ATOM 510 CA ALA A 34 -5.839 3.185 -15.866 1.00 45.04 C ATOM 511 C ALA A 34 -4.543 2.701 -15.225 1.00 23.22 C ATOM 512 O ALA A 34 -3.566 2.412 -15.917 1.00 31.22 O ATOM 513 CB ALA A 34 -6.331 2.175 -16.892 1.00 52.35 C ATOM 0 H ALA A 34 -5.155 4.471 -17.374 1.00 12.41 H new ATOM 0 HA ALA A 34 -6.588 3.283 -15.081 1.00 45.04 H new ATOM 0 HB1 ALA A 34 -6.460 1.204 -16.414 1.00 52.35 H new ATOM 0 HB2 ALA A 34 -7.285 2.508 -17.302 1.00 52.35 H new ATOM 0 HB3 ALA A 34 -5.601 2.089 -17.697 1.00 52.35 H new ATOM 519 N TYR A 35 -4.540 2.615 -13.899 1.00 55.23 N ATOM 520 CA TYR A 35 -3.363 2.169 -13.164 1.00 60.22 C ATOM 521 C TYR A 35 -3.238 0.649 -13.207 1.00 20.13 C ATOM 522 O TYR A 35 -4.144 -0.047 -13.665 1.00 21.11 O ATOM 523 CB TYR A 35 -3.431 2.646 -11.712 1.00 72.34 C ATOM 524 CG TYR A 35 -3.765 4.114 -11.572 1.00 71.33 C ATOM 525 CD1 TYR A 35 -2.803 5.090 -11.799 1.00 64.22 C ATOM 526 CD2 TYR A 35 -5.042 4.525 -11.212 1.00 75.32 C ATOM 527 CE1 TYR A 35 -3.103 6.432 -11.672 1.00 2.32 C ATOM 528 CE2 TYR A 35 -5.352 5.865 -11.084 1.00 30.21 C ATOM 529 CZ TYR A 35 -4.379 6.815 -11.314 1.00 61.35 C ATOM 530 OH TYR A 35 -4.683 8.151 -11.186 1.00 61.33 O ATOM 0 H TYR A 35 -5.340 2.849 -13.311 1.00 55.23 H new ATOM 0 HA TYR A 35 -2.483 2.601 -13.640 1.00 60.22 H new ATOM 0 HB2 TYR A 35 -4.180 2.059 -11.180 1.00 72.34 H new ATOM 0 HB3 TYR A 35 -2.473 2.452 -11.229 1.00 72.34 H new ATOM 0 HD1 TYR A 35 -1.803 4.794 -12.080 1.00 64.22 H new ATOM 0 HD2 TYR A 35 -5.806 3.784 -11.029 1.00 75.32 H new ATOM 0 HE1 TYR A 35 -2.343 7.178 -11.852 1.00 2.32 H new ATOM 0 HE2 TYR A 35 -6.351 6.167 -10.805 1.00 30.21 H new ATOM 0 HH TYR A 35 -4.123 8.674 -11.797 1.00 61.33 H new ATOM 540 N SER A 36 -2.108 0.141 -12.725 1.00 32.04 N ATOM 541 CA SER A 36 -1.861 -1.296 -12.710 1.00 34.13 C ATOM 542 C SER A 36 -2.603 -1.963 -11.555 1.00 2.42 C ATOM 543 O SER A 36 -2.640 -3.188 -11.452 1.00 12.12 O ATOM 544 CB SER A 36 -0.362 -1.576 -12.597 1.00 65.22 C ATOM 545 OG SER A 36 0.307 -1.269 -13.808 1.00 72.44 O ATOM 0 H SER A 36 -1.349 0.703 -12.340 1.00 32.04 H new ATOM 0 HA SER A 36 -2.232 -1.713 -13.646 1.00 34.13 H new ATOM 0 HB2 SER A 36 0.061 -0.986 -11.784 1.00 65.22 H new ATOM 0 HB3 SER A 36 -0.203 -2.625 -12.346 1.00 65.22 H new ATOM 0 HG SER A 36 1.264 -1.455 -13.709 1.00 72.44 H new ATOM 551 N ASN A 37 -3.192 -1.145 -10.688 1.00 24.33 N ATOM 552 CA ASN A 37 -3.932 -1.654 -9.539 1.00 30.50 C ATOM 553 C ASN A 37 -5.422 -1.751 -9.852 1.00 12.35 C ATOM 554 O ASN A 37 -6.259 -1.730 -8.949 1.00 21.24 O ATOM 555 CB ASN A 37 -3.712 -0.752 -8.323 1.00 63.12 C ATOM 556 CG ASN A 37 -4.151 -1.409 -7.029 1.00 11.43 C ATOM 557 OD1 ASN A 37 -3.538 -2.372 -6.569 1.00 72.43 O ATOM 558 ND2 ASN A 37 -5.218 -0.888 -6.434 1.00 73.11 N ATOM 0 H ASN A 37 -3.171 -0.128 -10.759 1.00 24.33 H new ATOM 0 HA ASN A 37 -3.560 -2.653 -9.313 1.00 30.50 H new ATOM 0 HB2 ASN A 37 -2.656 -0.490 -8.254 1.00 63.12 H new ATOM 0 HB3 ASN A 37 -4.263 0.179 -8.460 1.00 63.12 H new ATOM 0 HD21 ASN A 37 -5.560 -1.287 -5.560 1.00 73.11 H new ATOM 0 HD22 ASN A 37 -5.695 -0.089 -6.851 1.00 73.11 H new ATOM 565 N ASP A 38 -5.746 -1.856 -11.136 1.00 30.25 N ATOM 566 CA ASP A 38 -7.135 -1.958 -11.568 1.00 11.51 C ATOM 567 C ASP A 38 -7.931 -0.731 -11.132 1.00 43.02 C ATOM 568 O ASP A 38 -9.136 -0.811 -10.894 1.00 32.44 O ATOM 569 CB ASP A 38 -7.777 -3.225 -11.001 1.00 41.21 C ATOM 570 CG ASP A 38 -8.974 -3.680 -11.812 1.00 70.12 C ATOM 571 OD1 ASP A 38 -8.768 -4.267 -12.895 1.00 31.12 O ATOM 572 OD2 ASP A 38 -10.117 -3.449 -11.365 1.00 10.42 O ATOM 0 H ASP A 38 -5.066 -1.873 -11.896 1.00 30.25 H new ATOM 0 HA ASP A 38 -7.148 -2.010 -12.657 1.00 11.51 H new ATOM 0 HB2 ASP A 38 -7.036 -4.024 -10.974 1.00 41.21 H new ATOM 0 HB3 ASP A 38 -8.087 -3.043 -9.972 1.00 41.21 H new ATOM 577 N THR A 39 -7.248 0.405 -11.029 1.00 41.21 N ATOM 578 CA THR A 39 -7.890 1.648 -10.620 1.00 44.10 C ATOM 579 C THR A 39 -7.913 2.657 -11.763 1.00 21.14 C ATOM 580 O THR A 39 -7.038 2.648 -12.628 1.00 54.14 O ATOM 581 CB THR A 39 -7.175 2.277 -9.409 1.00 41.32 C ATOM 582 OG1 THR A 39 -5.785 1.934 -9.428 1.00 20.52 O ATOM 583 CG2 THR A 39 -7.802 1.806 -8.106 1.00 23.22 C ATOM 0 H THR A 39 -6.250 0.490 -11.223 1.00 41.21 H new ATOM 0 HA THR A 39 -8.913 1.398 -10.339 1.00 44.10 H new ATOM 0 HB THR A 39 -7.282 3.360 -9.474 1.00 41.32 H new ATOM 0 HG1 THR A 39 -5.338 2.339 -8.656 1.00 20.52 H new ATOM 0 HG21 THR A 39 -7.281 2.263 -7.265 1.00 23.22 H new ATOM 0 HG22 THR A 39 -8.853 2.095 -8.082 1.00 23.22 H new ATOM 0 HG23 THR A 39 -7.723 0.721 -8.035 1.00 23.22 H new ATOM 591 N MET A 40 -8.919 3.526 -11.758 1.00 65.33 N ATOM 592 CA MET A 40 -9.054 4.543 -12.795 1.00 24.24 C ATOM 593 C MET A 40 -9.287 5.919 -12.179 1.00 33.31 C ATOM 594 O MET A 40 -9.948 6.043 -11.148 1.00 72.44 O ATOM 595 CB MET A 40 -10.206 4.191 -13.738 1.00 22.24 C ATOM 596 CG MET A 40 -9.758 3.482 -15.006 1.00 13.13 C ATOM 597 SD MET A 40 -11.135 3.080 -16.099 1.00 65.01 S ATOM 598 CE MET A 40 -10.405 3.417 -17.700 1.00 2.13 C ATOM 0 H MET A 40 -9.652 3.546 -11.049 1.00 65.33 H new ATOM 0 HA MET A 40 -8.125 4.572 -13.364 1.00 24.24 H new ATOM 0 HB2 MET A 40 -10.917 3.557 -13.209 1.00 22.24 H new ATOM 0 HB3 MET A 40 -10.735 5.105 -14.010 1.00 22.24 H new ATOM 0 HG2 MET A 40 -9.048 4.114 -15.540 1.00 13.13 H new ATOM 0 HG3 MET A 40 -9.231 2.566 -14.739 1.00 13.13 H new ATOM 0 HE1 MET A 40 -11.136 3.215 -18.483 1.00 2.13 H new ATOM 0 HE2 MET A 40 -10.101 4.463 -17.748 1.00 2.13 H new ATOM 0 HE3 MET A 40 -9.533 2.779 -17.844 1.00 2.13 H new ATOM 608 N GLU A 41 -8.741 6.949 -12.817 1.00 65.43 N ATOM 609 CA GLU A 41 -8.890 8.315 -12.330 1.00 64.11 C ATOM 610 C GLU A 41 -9.290 9.256 -13.463 1.00 35.33 C ATOM 611 O GLU A 41 -8.719 9.211 -14.551 1.00 61.04 O ATOM 612 CB GLU A 41 -7.586 8.797 -11.689 1.00 73.44 C ATOM 613 CG GLU A 41 -7.789 9.525 -10.371 1.00 63.42 C ATOM 614 CD GLU A 41 -7.738 8.592 -9.176 1.00 52.42 C ATOM 615 OE1 GLU A 41 -6.631 8.376 -8.640 1.00 13.34 O ATOM 616 OE2 GLU A 41 -8.804 8.079 -8.778 1.00 15.11 O ATOM 0 H GLU A 41 -8.192 6.864 -13.672 1.00 65.43 H new ATOM 0 HA GLU A 41 -9.680 8.321 -11.579 1.00 64.11 H new ATOM 0 HB2 GLU A 41 -6.933 7.940 -11.524 1.00 73.44 H new ATOM 0 HB3 GLU A 41 -7.072 9.460 -12.385 1.00 73.44 H new ATOM 0 HG2 GLU A 41 -7.022 10.292 -10.262 1.00 63.42 H new ATOM 0 HG3 GLU A 41 -8.751 10.037 -10.387 1.00 63.42 H new ATOM 623 N GLU A 42 -10.277 10.106 -13.197 1.00 33.13 N ATOM 624 CA GLU A 42 -10.756 11.056 -14.194 1.00 5.20 C ATOM 625 C GLU A 42 -10.551 12.492 -13.719 1.00 51.03 C ATOM 626 O GLU A 42 -10.842 12.825 -12.570 1.00 5.11 O ATOM 627 CB GLU A 42 -12.236 10.813 -14.494 1.00 60.42 C ATOM 628 CG GLU A 42 -13.142 11.009 -13.290 1.00 44.21 C ATOM 629 CD GLU A 42 -13.795 12.377 -13.269 1.00 10.51 C ATOM 630 OE1 GLU A 42 -14.190 12.862 -14.350 1.00 0.40 O ATOM 631 OE2 GLU A 42 -13.911 12.963 -12.172 1.00 52.23 O ATOM 0 H GLU A 42 -10.760 10.156 -12.300 1.00 33.13 H new ATOM 0 HA GLU A 42 -10.179 10.907 -15.107 1.00 5.20 H new ATOM 0 HB2 GLU A 42 -12.552 11.488 -15.290 1.00 60.42 H new ATOM 0 HB3 GLU A 42 -12.360 9.797 -14.870 1.00 60.42 H new ATOM 0 HG2 GLU A 42 -13.916 10.241 -13.293 1.00 44.21 H new ATOM 0 HG3 GLU A 42 -12.562 10.873 -12.377 1.00 44.21 H new ATOM 638 N HIS A 43 -10.049 13.339 -14.613 1.00 24.54 N ATOM 639 CA HIS A 43 -9.805 14.739 -14.286 1.00 2.00 C ATOM 640 C HIS A 43 -9.852 15.606 -15.541 1.00 32.33 C ATOM 641 O HIS A 43 -9.377 15.204 -16.603 1.00 34.31 O ATOM 642 CB HIS A 43 -8.450 14.895 -13.595 1.00 42.11 C ATOM 643 CG HIS A 43 -8.554 15.137 -12.121 1.00 25.44 C ATOM 644 ND1 HIS A 43 -7.657 14.621 -11.209 1.00 4.53 N ATOM 645 CD2 HIS A 43 -9.455 15.845 -11.401 1.00 21.22 C ATOM 646 CE1 HIS A 43 -8.003 15.001 -9.992 1.00 23.14 C ATOM 647 NE2 HIS A 43 -9.091 15.745 -10.081 1.00 24.34 N ATOM 0 H HIS A 43 -9.804 13.080 -15.569 1.00 24.54 H new ATOM 0 HA HIS A 43 -10.591 15.070 -13.607 1.00 2.00 H new ATOM 0 HB2 HIS A 43 -7.858 13.996 -13.766 1.00 42.11 H new ATOM 0 HB3 HIS A 43 -7.911 15.724 -14.054 1.00 42.11 H new ATOM 0 HD2 HIS A 43 -10.303 16.388 -11.792 1.00 21.22 H new ATOM 0 HE1 HIS A 43 -7.485 14.747 -9.079 1.00 23.14 H new ATOM 0 HE2 HIS A 43 -9.581 16.175 -9.297 1.00 24.34 H new ATOM 655 N SER A 44 -10.429 16.796 -15.410 1.00 42.24 N ATOM 656 CA SER A 44 -10.542 17.718 -16.535 1.00 34.22 C ATOM 657 C SER A 44 -9.765 19.003 -16.265 1.00 32.42 C ATOM 658 O SER A 44 -10.002 19.688 -15.270 1.00 30.45 O ATOM 659 CB SER A 44 -12.012 18.045 -16.807 1.00 21.10 C ATOM 660 OG SER A 44 -12.868 17.248 -16.008 1.00 34.53 O ATOM 0 H SER A 44 -10.825 17.145 -14.537 1.00 42.24 H new ATOM 0 HA SER A 44 -10.115 17.234 -17.414 1.00 34.22 H new ATOM 0 HB2 SER A 44 -12.197 19.100 -16.603 1.00 21.10 H new ATOM 0 HB3 SER A 44 -12.235 17.880 -17.861 1.00 21.10 H new ATOM 0 HG SER A 44 -13.801 17.477 -16.199 1.00 34.53 H new ATOM 666 N PHE A 45 -8.836 19.323 -17.159 1.00 3.23 N ATOM 667 CA PHE A 45 -8.022 20.525 -17.018 1.00 23.02 C ATOM 668 C PHE A 45 -7.590 20.722 -15.568 1.00 5.22 C ATOM 669 O PHE A 45 -8.054 21.638 -14.888 1.00 32.33 O ATOM 670 CB PHE A 45 -8.798 21.752 -17.502 1.00 24.31 C ATOM 671 CG PHE A 45 -7.917 22.910 -17.873 1.00 45.04 C ATOM 672 CD1 PHE A 45 -7.402 23.023 -19.155 1.00 25.33 C ATOM 673 CD2 PHE A 45 -7.603 23.886 -16.941 1.00 61.11 C ATOM 674 CE1 PHE A 45 -6.591 24.088 -19.500 1.00 63.41 C ATOM 675 CE2 PHE A 45 -6.793 24.953 -17.281 1.00 11.13 C ATOM 676 CZ PHE A 45 -6.285 25.053 -18.561 1.00 53.43 C ATOM 0 H PHE A 45 -8.628 18.767 -17.989 1.00 3.23 H new ATOM 0 HA PHE A 45 -7.129 20.403 -17.631 1.00 23.02 H new ATOM 0 HB2 PHE A 45 -9.401 21.473 -18.366 1.00 24.31 H new ATOM 0 HB3 PHE A 45 -9.489 22.067 -16.720 1.00 24.31 H new ATOM 0 HD1 PHE A 45 -7.637 22.270 -19.893 1.00 25.33 H new ATOM 0 HD2 PHE A 45 -7.996 23.812 -15.938 1.00 61.11 H new ATOM 0 HE1 PHE A 45 -6.197 24.165 -20.503 1.00 63.41 H new ATOM 0 HE2 PHE A 45 -6.557 25.708 -16.546 1.00 11.13 H new ATOM 0 HZ PHE A 45 -5.649 25.885 -18.827 1.00 53.43 H new ATOM 686 N THR A 46 -6.697 19.856 -15.100 1.00 25.45 N ATOM 687 CA THR A 46 -6.202 19.932 -13.731 1.00 11.13 C ATOM 688 C THR A 46 -4.973 19.051 -13.540 1.00 31.20 C ATOM 689 O THR A 46 -4.034 19.423 -12.837 1.00 4.13 O ATOM 690 CB THR A 46 -7.284 19.511 -12.718 1.00 61.13 C ATOM 691 OG1 THR A 46 -6.760 19.572 -11.387 1.00 42.52 O ATOM 692 CG2 THR A 46 -7.778 18.102 -13.009 1.00 54.05 C ATOM 0 H THR A 46 -6.301 19.093 -15.649 1.00 25.45 H new ATOM 0 HA THR A 46 -5.931 20.972 -13.551 1.00 11.13 H new ATOM 0 HB THR A 46 -8.123 20.200 -12.809 1.00 61.13 H new ATOM 0 HG1 THR A 46 -7.454 19.304 -10.749 1.00 42.52 H new ATOM 0 HG21 THR A 46 -8.541 17.826 -12.281 1.00 54.05 H new ATOM 0 HG22 THR A 46 -8.203 18.065 -14.012 1.00 54.05 H new ATOM 0 HG23 THR A 46 -6.944 17.403 -12.943 1.00 54.05 H new ATOM 700 N ASP A 47 -4.986 17.882 -14.171 1.00 24.23 N ATOM 701 CA ASP A 47 -3.870 16.948 -14.072 1.00 32.43 C ATOM 702 C ASP A 47 -2.695 17.412 -14.926 1.00 41.02 C ATOM 703 O ASP A 47 -2.883 17.957 -16.013 1.00 73.33 O ATOM 704 CB ASP A 47 -4.310 15.548 -14.504 1.00 64.13 C ATOM 705 CG ASP A 47 -4.084 14.510 -13.422 1.00 40.14 C ATOM 706 OD1 ASP A 47 -4.639 14.676 -12.316 1.00 51.34 O ATOM 707 OD2 ASP A 47 -3.351 13.532 -13.681 1.00 55.03 O ATOM 0 H ASP A 47 -5.756 17.559 -14.756 1.00 24.23 H new ATOM 0 HA ASP A 47 -3.547 16.914 -13.031 1.00 32.43 H new ATOM 0 HB2 ASP A 47 -5.367 15.568 -14.769 1.00 64.13 H new ATOM 0 HB3 ASP A 47 -3.762 15.259 -15.401 1.00 64.13 H new ATOM 712 N GLU A 48 -1.483 17.193 -14.426 1.00 1.34 N ATOM 713 CA GLU A 48 -0.278 17.592 -15.143 1.00 64.30 C ATOM 714 C GLU A 48 0.276 16.430 -15.963 1.00 5.10 C ATOM 715 O GLU A 48 1.463 16.394 -16.285 1.00 23.53 O ATOM 716 CB GLU A 48 0.785 18.090 -14.162 1.00 4.51 C ATOM 717 CG GLU A 48 1.236 19.517 -14.426 1.00 50.31 C ATOM 718 CD GLU A 48 2.704 19.733 -14.113 1.00 12.02 C ATOM 719 OE1 GLU A 48 3.028 19.976 -12.931 1.00 41.35 O ATOM 720 OE2 GLU A 48 3.528 19.659 -15.048 1.00 72.10 O ATOM 0 H GLU A 48 -1.310 16.742 -13.528 1.00 1.34 H new ATOM 0 HA GLU A 48 -0.542 18.402 -15.823 1.00 64.30 H new ATOM 0 HB2 GLU A 48 0.391 18.024 -13.148 1.00 4.51 H new ATOM 0 HB3 GLU A 48 1.651 17.429 -14.211 1.00 4.51 H new ATOM 0 HG2 GLU A 48 1.051 19.765 -15.471 1.00 50.31 H new ATOM 0 HG3 GLU A 48 0.636 20.201 -13.825 1.00 50.31 H new ATOM 727 N GLY A 49 -0.593 15.481 -16.297 1.00 51.33 N ATOM 728 CA GLY A 49 -0.173 14.331 -17.076 1.00 20.12 C ATOM 729 C GLY A 49 -0.133 14.621 -18.563 1.00 63.31 C ATOM 730 O GLY A 49 0.678 14.049 -19.293 1.00 14.13 O ATOM 0 H GLY A 49 -1.581 15.488 -16.042 1.00 51.33 H new ATOM 0 HA2 GLY A 49 0.815 14.013 -16.744 1.00 20.12 H new ATOM 0 HA3 GLY A 49 -0.854 13.501 -16.889 1.00 20.12 H new ATOM 734 N VAL A 50 -1.011 15.511 -19.015 1.00 63.51 N ATOM 735 CA VAL A 50 -1.073 15.875 -20.426 1.00 22.15 C ATOM 736 C VAL A 50 -0.573 17.298 -20.648 1.00 33.10 C ATOM 737 O VAL A 50 -0.907 18.208 -19.891 1.00 13.53 O ATOM 738 CB VAL A 50 -2.507 15.754 -20.974 1.00 12.43 C ATOM 739 CG1 VAL A 50 -3.061 14.361 -20.718 1.00 15.20 C ATOM 740 CG2 VAL A 50 -3.404 16.816 -20.355 1.00 73.12 C ATOM 0 H VAL A 50 -1.689 15.993 -18.425 1.00 63.51 H new ATOM 0 HA VAL A 50 -0.428 15.179 -20.962 1.00 22.15 H new ATOM 0 HB VAL A 50 -2.481 15.915 -22.052 1.00 12.43 H new ATOM 0 HG11 VAL A 50 -4.075 14.295 -21.112 1.00 15.20 H new ATOM 0 HG12 VAL A 50 -2.430 13.622 -21.212 1.00 15.20 H new ATOM 0 HG13 VAL A 50 -3.075 14.166 -19.646 1.00 15.20 H new ATOM 0 HG21 VAL A 50 -4.414 16.716 -20.753 1.00 73.12 H new ATOM 0 HG22 VAL A 50 -3.426 16.688 -19.273 1.00 73.12 H new ATOM 0 HG23 VAL A 50 -3.015 17.806 -20.595 1.00 73.12 H new ATOM 750 N GLU A 51 0.228 17.481 -21.692 1.00 44.44 N ATOM 751 CA GLU A 51 0.774 18.795 -22.014 1.00 63.21 C ATOM 752 C GLU A 51 0.107 19.371 -23.260 1.00 23.02 C ATOM 753 O GLU A 51 0.061 18.725 -24.307 1.00 63.11 O ATOM 754 CB GLU A 51 2.287 18.705 -22.228 1.00 32.35 C ATOM 755 CG GLU A 51 3.075 18.551 -20.938 1.00 4.32 C ATOM 756 CD GLU A 51 4.055 17.394 -20.987 1.00 15.42 C ATOM 757 OE1 GLU A 51 3.600 16.231 -20.986 1.00 42.43 O ATOM 758 OE2 GLU A 51 5.276 17.653 -21.026 1.00 52.00 O ATOM 0 H GLU A 51 0.514 16.737 -22.329 1.00 44.44 H new ATOM 0 HA GLU A 51 0.572 19.460 -21.174 1.00 63.21 H new ATOM 0 HB2 GLU A 51 2.504 17.859 -22.880 1.00 32.35 H new ATOM 0 HB3 GLU A 51 2.626 19.602 -22.747 1.00 32.35 H new ATOM 0 HG2 GLU A 51 3.618 19.474 -20.736 1.00 4.32 H new ATOM 0 HG3 GLU A 51 2.383 18.401 -20.110 1.00 4.32 H new ATOM 765 N ILE A 52 -0.409 20.589 -23.137 1.00 44.35 N ATOM 766 CA ILE A 52 -1.072 21.253 -24.253 1.00 34.33 C ATOM 767 C ILE A 52 -0.163 22.297 -24.892 1.00 21.25 C ATOM 768 O ILE A 52 0.524 23.045 -24.196 1.00 42.15 O ATOM 769 CB ILE A 52 -2.380 21.932 -23.806 1.00 13.12 C ATOM 770 CG1 ILE A 52 -3.144 21.029 -22.836 1.00 32.35 C ATOM 771 CG2 ILE A 52 -3.242 22.269 -25.014 1.00 4.33 C ATOM 772 CD1 ILE A 52 -3.503 19.681 -23.420 1.00 61.43 C ATOM 0 H ILE A 52 -0.381 21.136 -22.277 1.00 44.35 H new ATOM 0 HA ILE A 52 -1.304 20.481 -24.986 1.00 34.33 H new ATOM 0 HB ILE A 52 -2.132 22.860 -23.290 1.00 13.12 H new ATOM 0 HG12 ILE A 52 -2.541 20.879 -21.941 1.00 32.35 H new ATOM 0 HG13 ILE A 52 -4.057 21.535 -22.524 1.00 32.35 H new ATOM 0 HG21 ILE A 52 -4.163 22.748 -24.682 1.00 4.33 H new ATOM 0 HG22 ILE A 52 -2.697 22.946 -25.672 1.00 4.33 H new ATOM 0 HG23 ILE A 52 -3.484 21.354 -25.555 1.00 4.33 H new ATOM 0 HD11 ILE A 52 -4.043 19.094 -22.677 1.00 61.43 H new ATOM 0 HD12 ILE A 52 -4.133 19.821 -24.299 1.00 61.43 H new ATOM 0 HD13 ILE A 52 -2.593 19.154 -23.706 1.00 61.43 H new ATOM 784 N SER A 53 -0.165 22.342 -26.220 1.00 13.40 N ATOM 785 CA SER A 53 0.661 23.294 -26.954 1.00 22.24 C ATOM 786 C SER A 53 -0.087 23.842 -28.165 1.00 62.01 C ATOM 787 O SER A 53 -0.737 23.097 -28.897 1.00 21.32 O ATOM 788 CB SER A 53 1.964 22.630 -27.402 1.00 64.32 C ATOM 789 OG SER A 53 3.071 23.137 -26.677 1.00 21.43 O ATOM 0 H SER A 53 -0.729 21.731 -26.810 1.00 13.40 H new ATOM 0 HA SER A 53 0.895 24.124 -26.288 1.00 22.24 H new ATOM 0 HB2 SER A 53 1.894 21.552 -27.258 1.00 64.32 H new ATOM 0 HB3 SER A 53 2.115 22.800 -28.468 1.00 64.32 H new ATOM 0 HG SER A 53 3.891 22.695 -26.981 1.00 21.43 H new ATOM 795 N GLY A 54 0.011 25.152 -28.370 1.00 51.11 N ATOM 796 CA GLY A 54 -0.661 25.779 -29.493 1.00 41.32 C ATOM 797 C GLY A 54 -1.692 26.800 -29.055 1.00 40.54 C ATOM 798 O GLY A 54 -2.031 27.713 -29.809 1.00 4.40 O ATOM 0 H GLY A 54 0.544 25.790 -27.779 1.00 51.11 H new ATOM 0 HA2 GLY A 54 0.078 26.264 -30.130 1.00 41.32 H new ATOM 0 HA3 GLY A 54 -1.147 25.012 -30.096 1.00 41.32 H new ATOM 802 N TYR A 55 -2.194 26.646 -27.835 1.00 43.32 N ATOM 803 CA TYR A 55 -3.196 27.560 -27.300 1.00 3.23 C ATOM 804 C TYR A 55 -2.541 28.821 -26.744 1.00 12.23 C ATOM 805 O TYR A 55 -1.620 28.749 -25.930 1.00 35.14 O ATOM 806 CB TYR A 55 -4.012 26.871 -26.205 1.00 70.22 C ATOM 807 CG TYR A 55 -4.726 27.835 -25.285 1.00 35.52 C ATOM 808 CD1 TYR A 55 -5.492 28.875 -25.796 1.00 12.31 C ATOM 809 CD2 TYR A 55 -4.635 27.705 -23.905 1.00 11.24 C ATOM 810 CE1 TYR A 55 -6.146 29.759 -24.959 1.00 72.20 C ATOM 811 CE2 TYR A 55 -5.287 28.583 -23.060 1.00 62.12 C ATOM 812 CZ TYR A 55 -6.041 29.608 -23.592 1.00 41.11 C ATOM 813 OH TYR A 55 -6.690 30.485 -22.754 1.00 54.52 O ATOM 0 H TYR A 55 -1.923 25.897 -27.198 1.00 43.32 H new ATOM 0 HA TYR A 55 -3.862 27.846 -28.114 1.00 3.23 H new ATOM 0 HB2 TYR A 55 -4.747 26.214 -26.670 1.00 70.22 H new ATOM 0 HB3 TYR A 55 -3.350 26.240 -25.613 1.00 70.22 H new ATOM 0 HD1 TYR A 55 -5.578 28.995 -26.866 1.00 12.31 H new ATOM 0 HD2 TYR A 55 -4.045 26.904 -23.485 1.00 11.24 H new ATOM 0 HE1 TYR A 55 -6.736 30.563 -25.373 1.00 72.20 H new ATOM 0 HE2 TYR A 55 -5.207 28.467 -21.989 1.00 62.12 H new ATOM 0 HH TYR A 55 -7.659 30.388 -22.865 1.00 54.52 H new ATOM 823 N ASP A 56 -3.024 29.976 -27.189 1.00 60.21 N ATOM 824 CA ASP A 56 -2.488 31.254 -26.736 1.00 14.21 C ATOM 825 C ASP A 56 -3.378 31.864 -25.657 1.00 25.14 C ATOM 826 O ASP A 56 -4.452 32.388 -25.947 1.00 13.20 O ATOM 827 CB ASP A 56 -2.357 32.222 -27.913 1.00 1.33 C ATOM 828 CG ASP A 56 -0.975 32.193 -28.535 1.00 22.10 C ATOM 829 OD1 ASP A 56 -0.295 31.152 -28.421 1.00 32.35 O ATOM 830 OD2 ASP A 56 -0.572 33.211 -29.136 1.00 13.34 O ATOM 0 H ASP A 56 -3.786 30.053 -27.863 1.00 60.21 H new ATOM 0 HA ASP A 56 -1.501 31.076 -26.310 1.00 14.21 H new ATOM 0 HB2 ASP A 56 -3.099 31.970 -28.671 1.00 1.33 H new ATOM 0 HB3 ASP A 56 -2.579 33.234 -27.574 1.00 1.33 H new ATOM 835 N ALA A 57 -2.922 31.790 -24.410 1.00 42.13 N ATOM 836 CA ALA A 57 -3.675 32.335 -23.288 1.00 11.31 C ATOM 837 C ALA A 57 -3.877 33.839 -23.441 1.00 31.00 C ATOM 838 O ALA A 57 -4.740 34.427 -22.790 1.00 54.25 O ATOM 839 CB ALA A 57 -2.967 32.027 -21.977 1.00 62.32 C ATOM 0 H ALA A 57 -2.035 31.358 -24.152 1.00 42.13 H new ATOM 0 HA ALA A 57 -4.657 31.862 -23.278 1.00 11.31 H new ATOM 0 HB1 ALA A 57 -3.541 32.440 -21.148 1.00 62.32 H new ATOM 0 HB2 ALA A 57 -2.880 30.947 -21.856 1.00 62.32 H new ATOM 0 HB3 ALA A 57 -1.972 32.473 -21.987 1.00 62.32 H new ATOM 845 N GLN A 58 -3.075 34.454 -24.304 1.00 11.31 N ATOM 846 CA GLN A 58 -3.166 35.890 -24.540 1.00 40.23 C ATOM 847 C GLN A 58 -4.222 36.202 -25.596 1.00 2.44 C ATOM 848 O GLN A 58 -4.851 37.260 -25.566 1.00 15.13 O ATOM 849 CB GLN A 58 -1.809 36.443 -24.980 1.00 72.12 C ATOM 850 CG GLN A 58 -0.959 36.955 -23.829 1.00 42.30 C ATOM 851 CD GLN A 58 0.371 37.518 -24.291 1.00 61.40 C ATOM 852 OE1 GLN A 58 0.486 38.708 -24.585 1.00 64.34 O ATOM 853 NE2 GLN A 58 1.385 36.663 -24.357 1.00 31.50 N ATOM 0 H GLN A 58 -2.356 33.981 -24.851 1.00 11.31 H new ATOM 0 HA GLN A 58 -3.460 36.368 -23.606 1.00 40.23 H new ATOM 0 HB2 GLN A 58 -1.261 35.661 -25.506 1.00 72.12 H new ATOM 0 HB3 GLN A 58 -1.969 37.254 -25.691 1.00 72.12 H new ATOM 0 HG2 GLN A 58 -1.509 37.727 -23.292 1.00 42.30 H new ATOM 0 HG3 GLN A 58 -0.780 36.142 -23.125 1.00 42.30 H new ATOM 0 HE21 GLN A 58 1.245 35.685 -24.104 1.00 31.50 H new ATOM 0 HE22 GLN A 58 2.304 36.984 -24.661 1.00 31.50 H new ATOM 862 N LYS A 59 -4.411 35.275 -26.529 1.00 2.54 N ATOM 863 CA LYS A 59 -5.391 35.450 -27.594 1.00 1.11 C ATOM 864 C LYS A 59 -5.860 34.101 -28.128 1.00 60.42 C ATOM 865 O LYS A 59 -5.058 33.188 -28.331 1.00 10.20 O ATOM 866 CB LYS A 59 -4.795 36.282 -28.732 1.00 32.02 C ATOM 867 CG LYS A 59 -5.212 37.742 -28.701 1.00 14.12 C ATOM 868 CD LYS A 59 -4.311 38.598 -29.574 1.00 51.35 C ATOM 869 CE LYS A 59 -4.098 39.978 -28.972 1.00 11.44 C ATOM 870 NZ LYS A 59 -2.710 40.472 -29.191 1.00 73.43 N ATOM 0 H LYS A 59 -3.898 34.394 -26.569 1.00 2.54 H new ATOM 0 HA LYS A 59 -6.251 35.976 -27.180 1.00 1.11 H new ATOM 0 HB2 LYS A 59 -3.708 36.222 -28.684 1.00 32.02 H new ATOM 0 HB3 LYS A 59 -5.096 35.847 -29.685 1.00 32.02 H new ATOM 0 HG2 LYS A 59 -6.244 37.834 -29.041 1.00 14.12 H new ATOM 0 HG3 LYS A 59 -5.181 38.108 -27.675 1.00 14.12 H new ATOM 0 HD2 LYS A 59 -3.348 38.103 -29.701 1.00 51.35 H new ATOM 0 HD3 LYS A 59 -4.751 38.697 -30.566 1.00 51.35 H new ATOM 0 HE2 LYS A 59 -4.807 40.679 -29.413 1.00 11.44 H new ATOM 0 HE3 LYS A 59 -4.306 39.944 -27.903 1.00 11.44 H new ATOM 0 HZ1 LYS A 59 -2.606 41.415 -28.766 1.00 73.43 H new ATOM 0 HZ2 LYS A 59 -2.034 39.817 -28.749 1.00 73.43 H new ATOM 0 HZ3 LYS A 59 -2.519 40.530 -30.212 1.00 73.43 H new ATOM 884 N THR A 60 -7.164 33.980 -28.356 1.00 52.22 N ATOM 885 CA THR A 60 -7.740 32.743 -28.867 1.00 63.44 C ATOM 886 C THR A 60 -8.108 32.875 -30.341 1.00 24.22 C ATOM 887 O THR A 60 -7.361 32.444 -31.218 1.00 64.22 O ATOM 888 CB THR A 60 -8.994 32.336 -28.071 1.00 70.53 C ATOM 889 OG1 THR A 60 -9.628 33.499 -27.527 1.00 25.42 O ATOM 890 CG2 THR A 60 -8.634 31.375 -26.948 1.00 1.10 C ATOM 0 H THR A 60 -7.842 34.725 -28.194 1.00 52.22 H new ATOM 0 HA THR A 60 -6.980 31.970 -28.753 1.00 63.44 H new ATOM 0 HB THR A 60 -9.682 31.833 -28.751 1.00 70.53 H new ATOM 0 HG1 THR A 60 -9.263 33.685 -26.637 1.00 25.42 H new ATOM 0 HG21 THR A 60 -9.536 31.102 -26.400 1.00 1.10 H new ATOM 0 HG22 THR A 60 -8.179 30.478 -27.368 1.00 1.10 H new ATOM 0 HG23 THR A 60 -7.929 31.856 -26.270 1.00 1.10 H new ATOM 898 N GLY A 61 -9.264 33.475 -30.606 1.00 33.40 N ATOM 899 CA GLY A 61 -9.710 33.653 -31.975 1.00 55.23 C ATOM 900 C GLY A 61 -9.584 32.385 -32.796 1.00 41.43 C ATOM 901 O GLY A 61 -8.971 32.388 -33.864 1.00 23.22 O ATOM 0 H GLY A 61 -9.900 33.841 -29.897 1.00 33.40 H new ATOM 0 HA2 GLY A 61 -10.750 33.980 -31.975 1.00 55.23 H new ATOM 0 HA3 GLY A 61 -9.126 34.445 -32.444 1.00 55.23 H new ATOM 905 N ARG A 62 -10.164 31.299 -32.297 1.00 63.42 N ATOM 906 CA ARG A 62 -10.110 30.017 -32.991 1.00 13.34 C ATOM 907 C ARG A 62 -8.676 29.505 -33.076 1.00 23.43 C ATOM 908 O ARG A 62 -8.078 29.483 -34.151 1.00 45.10 O ATOM 909 CB ARG A 62 -10.700 30.149 -34.396 1.00 34.21 C ATOM 910 CG ARG A 62 -11.142 28.825 -34.997 1.00 71.43 C ATOM 911 CD ARG A 62 -10.311 28.463 -36.218 1.00 71.44 C ATOM 912 NE ARG A 62 -10.734 29.200 -37.406 1.00 63.32 N ATOM 913 CZ ARG A 62 -10.099 29.142 -38.572 1.00 21.34 C ATOM 914 NH1 ARG A 62 -9.019 28.385 -38.705 1.00 22.50 N ATOM 915 NH2 ARG A 62 -10.545 29.842 -39.607 1.00 22.21 N ATOM 0 H ARG A 62 -10.677 31.280 -31.415 1.00 63.42 H new ATOM 0 HA ARG A 62 -10.701 29.299 -32.422 1.00 13.34 H new ATOM 0 HB2 ARG A 62 -11.554 30.825 -34.360 1.00 34.21 H new ATOM 0 HB3 ARG A 62 -9.958 30.606 -35.051 1.00 34.21 H new ATOM 0 HG2 ARG A 62 -11.054 28.037 -34.249 1.00 71.43 H new ATOM 0 HG3 ARG A 62 -12.194 28.884 -35.276 1.00 71.43 H new ATOM 0 HD2 ARG A 62 -9.260 28.672 -36.017 1.00 71.44 H new ATOM 0 HD3 ARG A 62 -10.392 27.393 -36.407 1.00 71.44 H new ATOM 0 HE ARG A 62 -11.562 29.792 -37.337 1.00 63.32 H new ATOM 0 HH11 ARG A 62 -8.674 27.845 -37.911 1.00 22.50 H new ATOM 0 HH12 ARG A 62 -8.533 28.342 -39.601 1.00 22.50 H new ATOM 0 HH21 ARG A 62 -11.376 30.425 -39.508 1.00 22.21 H new ATOM 0 HH22 ARG A 62 -10.057 29.797 -40.502 1.00 22.21 H new ATOM 929 N GLN A 63 -8.131 29.094 -31.935 1.00 60.42 N ATOM 930 CA GLN A 63 -6.766 28.582 -31.881 1.00 54.54 C ATOM 931 C GLN A 63 -6.758 27.060 -31.794 1.00 35.13 C ATOM 932 O GLN A 63 -7.640 26.458 -31.180 1.00 21.52 O ATOM 933 CB GLN A 63 -6.023 29.178 -30.684 1.00 71.05 C ATOM 934 CG GLN A 63 -5.281 30.465 -31.008 1.00 30.31 C ATOM 935 CD GLN A 63 -3.816 30.231 -31.318 1.00 5.13 C ATOM 936 OE1 GLN A 63 -2.942 30.934 -30.809 1.00 41.43 O ATOM 937 NE2 GLN A 63 -3.538 29.239 -32.156 1.00 11.04 N ATOM 0 H GLN A 63 -8.613 29.106 -31.036 1.00 60.42 H new ATOM 0 HA GLN A 63 -6.257 28.877 -32.799 1.00 54.54 H new ATOM 0 HB2 GLN A 63 -6.737 29.372 -29.883 1.00 71.05 H new ATOM 0 HB3 GLN A 63 -5.312 28.444 -30.306 1.00 71.05 H new ATOM 0 HG2 GLN A 63 -5.756 30.949 -31.861 1.00 30.31 H new ATOM 0 HG3 GLN A 63 -5.365 31.151 -30.165 1.00 30.31 H new ATOM 0 HE21 GLN A 63 -4.293 28.681 -32.555 1.00 11.04 H new ATOM 0 HE22 GLN A 63 -2.569 29.035 -32.401 1.00 11.04 H new ATOM 946 N THR A 64 -5.757 26.442 -32.412 1.00 72.52 N ATOM 947 CA THR A 64 -5.635 24.989 -32.406 1.00 11.35 C ATOM 948 C THR A 64 -4.873 24.507 -31.176 1.00 55.22 C ATOM 949 O THR A 64 -3.912 25.142 -30.740 1.00 70.14 O ATOM 950 CB THR A 64 -4.920 24.480 -33.671 1.00 62.20 C ATOM 951 OG1 THR A 64 -3.904 25.408 -34.067 1.00 24.24 O ATOM 952 CG2 THR A 64 -5.909 24.286 -34.811 1.00 3.52 C ATOM 0 H THR A 64 -5.018 26.925 -32.923 1.00 72.52 H new ATOM 0 HA THR A 64 -6.648 24.587 -32.384 1.00 11.35 H new ATOM 0 HB THR A 64 -4.462 23.518 -33.440 1.00 62.20 H new ATOM 0 HG1 THR A 64 -3.453 25.076 -34.871 1.00 24.24 H new ATOM 0 HG21 THR A 64 -5.381 23.926 -35.694 1.00 3.52 H new ATOM 0 HG22 THR A 64 -6.664 23.557 -34.518 1.00 3.52 H new ATOM 0 HG23 THR A 64 -6.392 25.236 -35.039 1.00 3.52 H new ATOM 960 N LEU A 65 -5.308 23.381 -30.621 1.00 42.20 N ATOM 961 CA LEU A 65 -4.666 22.813 -29.441 1.00 23.21 C ATOM 962 C LEU A 65 -4.211 21.381 -29.705 1.00 20.12 C ATOM 963 O LEU A 65 -4.911 20.605 -30.357 1.00 42.40 O ATOM 964 CB LEU A 65 -5.625 22.844 -28.249 1.00 45.14 C ATOM 965 CG LEU A 65 -6.124 24.226 -27.826 1.00 72.21 C ATOM 966 CD1 LEU A 65 -7.374 24.603 -28.605 1.00 55.23 C ATOM 967 CD2 LEU A 65 -6.396 24.259 -26.329 1.00 52.12 C ATOM 0 H LEU A 65 -6.102 22.844 -30.969 1.00 42.20 H new ATOM 0 HA LEU A 65 -3.789 23.417 -29.209 1.00 23.21 H new ATOM 0 HB2 LEU A 65 -6.490 22.225 -28.488 1.00 45.14 H new ATOM 0 HB3 LEU A 65 -5.128 22.382 -27.396 1.00 45.14 H new ATOM 0 HG LEU A 65 -5.347 24.957 -28.050 1.00 72.21 H new ATOM 0 HD11 LEU A 65 -7.715 25.589 -28.291 1.00 55.23 H new ATOM 0 HD12 LEU A 65 -7.147 24.620 -29.671 1.00 55.23 H new ATOM 0 HD13 LEU A 65 -8.158 23.870 -28.413 1.00 55.23 H new ATOM 0 HD21 LEU A 65 -6.750 25.250 -26.045 1.00 52.12 H new ATOM 0 HD22 LEU A 65 -7.155 23.517 -26.081 1.00 52.12 H new ATOM 0 HD23 LEU A 65 -5.477 24.033 -25.787 1.00 52.12 H new ATOM 979 N THR A 66 -3.034 21.035 -29.192 1.00 32.02 N ATOM 980 CA THR A 66 -2.486 19.696 -29.371 1.00 12.52 C ATOM 981 C THR A 66 -1.966 19.135 -28.053 1.00 23.33 C ATOM 982 O THR A 66 -0.960 19.605 -27.520 1.00 23.13 O ATOM 983 CB THR A 66 -1.345 19.690 -30.405 1.00 4.52 C ATOM 984 OG1 THR A 66 -1.030 21.032 -30.795 1.00 70.21 O ATOM 985 CG2 THR A 66 -1.730 18.877 -31.631 1.00 44.13 C ATOM 0 H THR A 66 -2.442 21.664 -28.649 1.00 32.02 H new ATOM 0 HA THR A 66 -3.299 19.067 -29.735 1.00 12.52 H new ATOM 0 HB THR A 66 -0.470 19.231 -29.945 1.00 4.52 H new ATOM 0 HG1 THR A 66 -0.816 21.562 -29.999 1.00 70.21 H new ATOM 0 HG21 THR A 66 -0.908 18.887 -32.347 1.00 44.13 H new ATOM 0 HG22 THR A 66 -1.940 17.849 -31.335 1.00 44.13 H new ATOM 0 HG23 THR A 66 -2.618 19.311 -32.091 1.00 44.13 H new ATOM 993 N LEU A 67 -2.656 18.126 -27.531 1.00 44.24 N ATOM 994 CA LEU A 67 -2.262 17.499 -26.275 1.00 30.15 C ATOM 995 C LEU A 67 -1.485 16.211 -26.529 1.00 34.15 C ATOM 996 O LEU A 67 -1.905 15.367 -27.321 1.00 64.21 O ATOM 997 CB LEU A 67 -3.496 17.204 -25.421 1.00 34.33 C ATOM 998 CG LEU A 67 -4.221 15.891 -25.720 1.00 32.02 C ATOM 999 CD1 LEU A 67 -3.634 14.757 -24.894 1.00 61.22 C ATOM 1000 CD2 LEU A 67 -5.712 16.032 -25.451 1.00 74.14 C ATOM 0 H LEU A 67 -3.491 17.725 -27.959 1.00 44.24 H new ATOM 0 HA LEU A 67 -1.614 18.192 -25.739 1.00 30.15 H new ATOM 0 HB2 LEU A 67 -3.195 17.199 -24.373 1.00 34.33 H new ATOM 0 HB3 LEU A 67 -4.204 18.023 -25.546 1.00 34.33 H new ATOM 0 HG LEU A 67 -4.083 15.654 -26.775 1.00 32.02 H new ATOM 0 HD11 LEU A 67 -4.162 13.831 -25.120 1.00 61.22 H new ATOM 0 HD12 LEU A 67 -2.577 14.640 -25.135 1.00 61.22 H new ATOM 0 HD13 LEU A 67 -3.741 14.986 -23.834 1.00 61.22 H new ATOM 0 HD21 LEU A 67 -6.212 15.088 -25.669 1.00 74.14 H new ATOM 0 HD22 LEU A 67 -5.870 16.293 -24.405 1.00 74.14 H new ATOM 0 HD23 LEU A 67 -6.124 16.816 -26.086 1.00 74.14 H new ATOM 1012 N HIS A 68 -0.352 16.065 -25.849 1.00 52.30 N ATOM 1013 CA HIS A 68 0.482 14.878 -25.999 1.00 10.31 C ATOM 1014 C HIS A 68 0.698 14.192 -24.653 1.00 53.43 C ATOM 1015 O HIS A 68 1.391 14.718 -23.782 1.00 31.43 O ATOM 1016 CB HIS A 68 1.830 15.251 -26.616 1.00 41.24 C ATOM 1017 CG HIS A 68 2.438 14.154 -27.435 1.00 10.10 C ATOM 1018 ND1 HIS A 68 3.762 13.783 -27.331 1.00 70.15 N ATOM 1019 CD2 HIS A 68 1.894 13.345 -28.374 1.00 22.32 C ATOM 1020 CE1 HIS A 68 4.007 12.794 -28.172 1.00 52.05 C ATOM 1021 NE2 HIS A 68 2.890 12.509 -28.817 1.00 34.12 N ATOM 0 H HIS A 68 0.009 16.754 -25.189 1.00 52.30 H new ATOM 0 HA HIS A 68 -0.033 14.184 -26.662 1.00 10.31 H new ATOM 0 HB2 HIS A 68 1.702 16.133 -27.243 1.00 41.24 H new ATOM 0 HB3 HIS A 68 2.522 15.525 -25.819 1.00 41.24 H new ATOM 0 HD2 HIS A 68 0.868 13.355 -28.712 1.00 22.32 H new ATOM 0 HE1 HIS A 68 4.959 12.302 -28.309 1.00 52.05 H new ATOM 0 HE2 HIS A 68 2.784 11.786 -29.528 1.00 34.12 H new ATOM 1029 N TYR A 69 0.099 13.018 -24.491 1.00 63.30 N ATOM 1030 CA TYR A 69 0.223 12.262 -23.250 1.00 63.45 C ATOM 1031 C TYR A 69 0.347 10.768 -23.533 1.00 65.51 C ATOM 1032 O TYR A 69 -0.439 10.202 -24.292 1.00 22.40 O ATOM 1033 CB TYR A 69 -0.983 12.522 -22.347 1.00 11.51 C ATOM 1034 CG TYR A 69 -0.993 11.680 -21.092 1.00 20.43 C ATOM 1035 CD1 TYR A 69 0.182 11.418 -20.398 1.00 2.44 C ATOM 1036 CD2 TYR A 69 -2.177 11.144 -20.600 1.00 62.53 C ATOM 1037 CE1 TYR A 69 0.178 10.648 -19.251 1.00 3.33 C ATOM 1038 CE2 TYR A 69 -2.190 10.374 -19.453 1.00 74.45 C ATOM 1039 CZ TYR A 69 -1.010 10.129 -18.782 1.00 75.44 C ATOM 1040 OH TYR A 69 -1.020 9.361 -17.640 1.00 64.14 O ATOM 0 H TYR A 69 -0.477 12.569 -25.203 1.00 63.30 H new ATOM 0 HA TYR A 69 1.128 12.594 -22.741 1.00 63.45 H new ATOM 0 HB2 TYR A 69 -0.996 13.575 -22.068 1.00 11.51 H new ATOM 0 HB3 TYR A 69 -1.896 12.330 -22.910 1.00 11.51 H new ATOM 0 HD1 TYR A 69 1.115 11.823 -20.762 1.00 2.44 H new ATOM 0 HD2 TYR A 69 -3.103 11.333 -21.123 1.00 62.53 H new ATOM 0 HE1 TYR A 69 1.101 10.454 -18.724 1.00 3.33 H new ATOM 0 HE2 TYR A 69 -3.119 9.966 -19.084 1.00 74.45 H new ATOM 0 HH TYR A 69 -1.937 9.075 -17.446 1.00 64.14 H new ATOM 1050 N GLN A 70 1.341 10.136 -22.916 1.00 72.10 N ATOM 1051 CA GLN A 70 1.569 8.708 -23.101 1.00 33.42 C ATOM 1052 C GLN A 70 1.864 8.388 -24.562 1.00 43.15 C ATOM 1053 O GLN A 70 1.676 7.258 -25.012 1.00 3.33 O ATOM 1054 CB GLN A 70 0.352 7.910 -22.628 1.00 40.10 C ATOM 1055 CG GLN A 70 0.623 7.059 -21.398 1.00 11.22 C ATOM 1056 CD GLN A 70 0.770 5.587 -21.728 1.00 21.25 C ATOM 1057 OE1 GLN A 70 -0.218 4.889 -21.960 1.00 45.24 O ATOM 1058 NE2 GLN A 70 2.008 5.106 -21.749 1.00 75.52 N ATOM 0 H GLN A 70 2.000 10.590 -22.284 1.00 72.10 H new ATOM 0 HA GLN A 70 2.436 8.424 -22.504 1.00 33.42 H new ATOM 0 HB2 GLN A 70 -0.462 8.601 -22.409 1.00 40.10 H new ATOM 0 HB3 GLN A 70 0.014 7.265 -23.439 1.00 40.10 H new ATOM 0 HG2 GLN A 70 1.532 7.411 -20.911 1.00 11.22 H new ATOM 0 HG3 GLN A 70 -0.191 7.188 -20.685 1.00 11.22 H new ATOM 0 HE21 GLN A 70 2.797 5.721 -21.551 1.00 75.52 H new ATOM 0 HE22 GLN A 70 2.169 4.122 -21.964 1.00 75.52 H new ATOM 1067 N GLY A 71 2.328 9.392 -25.301 1.00 10.13 N ATOM 1068 CA GLY A 71 2.641 9.198 -26.704 1.00 65.33 C ATOM 1069 C GLY A 71 1.464 9.503 -27.609 1.00 21.20 C ATOM 1070 O GLY A 71 1.633 9.715 -28.810 1.00 43.12 O ATOM 0 H GLY A 71 2.492 10.336 -24.952 1.00 10.13 H new ATOM 0 HA2 GLY A 71 3.481 9.837 -26.977 1.00 65.33 H new ATOM 0 HA3 GLY A 71 2.960 8.168 -26.863 1.00 65.33 H new ATOM 1074 N HIS A 72 0.266 9.523 -27.032 1.00 45.55 N ATOM 1075 CA HIS A 72 -0.945 9.804 -27.796 1.00 24.34 C ATOM 1076 C HIS A 72 -1.099 11.302 -28.038 1.00 14.11 C ATOM 1077 O HIS A 72 -0.823 12.114 -27.156 1.00 13.23 O ATOM 1078 CB HIS A 72 -2.172 9.265 -27.061 1.00 31.45 C ATOM 1079 CG HIS A 72 -2.849 8.134 -27.773 1.00 44.54 C ATOM 1080 ND1 HIS A 72 -2.240 6.919 -28.006 1.00 2.31 N ATOM 1081 CD2 HIS A 72 -4.090 8.039 -28.305 1.00 0.44 C ATOM 1082 CE1 HIS A 72 -3.077 6.126 -28.651 1.00 3.32 C ATOM 1083 NE2 HIS A 72 -4.207 6.782 -28.844 1.00 21.11 N ATOM 0 H HIS A 72 0.108 9.348 -26.040 1.00 45.55 H new ATOM 0 HA HIS A 72 -0.861 9.305 -28.762 1.00 24.34 H new ATOM 0 HB2 HIS A 72 -1.872 8.931 -26.068 1.00 31.45 H new ATOM 0 HB3 HIS A 72 -2.887 10.076 -26.922 1.00 31.45 H new ATOM 0 HD2 HIS A 72 -4.847 8.809 -28.305 1.00 0.44 H new ATOM 0 HE1 HIS A 72 -2.872 5.114 -28.967 1.00 3.32 H new ATOM 0 HE2 HIS A 72 -5.033 6.414 -29.317 1.00 21.11 H new ATOM 1091 N GLU A 73 -1.542 11.660 -29.239 1.00 61.14 N ATOM 1092 CA GLU A 73 -1.731 13.061 -29.597 1.00 33.20 C ATOM 1093 C GLU A 73 -3.175 13.326 -30.013 1.00 35.32 C ATOM 1094 O GLU A 73 -3.768 12.553 -30.766 1.00 34.35 O ATOM 1095 CB GLU A 73 -0.782 13.454 -30.731 1.00 73.52 C ATOM 1096 CG GLU A 73 -0.507 14.946 -30.805 1.00 53.04 C ATOM 1097 CD GLU A 73 0.442 15.309 -31.931 1.00 13.10 C ATOM 1098 OE1 GLU A 73 0.606 14.488 -32.857 1.00 51.24 O ATOM 1099 OE2 GLU A 73 1.020 16.415 -31.885 1.00 11.20 O ATOM 0 H GLU A 73 -1.777 11.000 -29.980 1.00 61.14 H new ATOM 0 HA GLU A 73 -1.507 13.667 -28.719 1.00 33.20 H new ATOM 0 HB2 GLU A 73 0.162 12.925 -30.603 1.00 73.52 H new ATOM 0 HB3 GLU A 73 -1.206 13.124 -31.679 1.00 73.52 H new ATOM 0 HG2 GLU A 73 -1.448 15.479 -30.942 1.00 53.04 H new ATOM 0 HG3 GLU A 73 -0.086 15.282 -29.857 1.00 53.04 H new ATOM 1106 N VAL A 74 -3.736 14.424 -29.516 1.00 71.13 N ATOM 1107 CA VAL A 74 -5.110 14.792 -29.836 1.00 12.23 C ATOM 1108 C VAL A 74 -5.212 16.268 -30.203 1.00 14.45 C ATOM 1109 O VAL A 74 -4.509 17.108 -29.641 1.00 51.31 O ATOM 1110 CB VAL A 74 -6.058 14.501 -28.657 1.00 61.41 C ATOM 1111 CG1 VAL A 74 -7.509 14.649 -29.089 1.00 2.21 C ATOM 1112 CG2 VAL A 74 -5.799 13.110 -28.098 1.00 33.15 C ATOM 0 H VAL A 74 -3.260 15.074 -28.890 1.00 71.13 H new ATOM 0 HA VAL A 74 -5.409 14.186 -30.691 1.00 12.23 H new ATOM 0 HB VAL A 74 -5.863 15.228 -27.868 1.00 61.41 H new ATOM 0 HG11 VAL A 74 -8.164 14.440 -28.243 1.00 2.21 H new ATOM 0 HG12 VAL A 74 -7.682 15.667 -29.439 1.00 2.21 H new ATOM 0 HG13 VAL A 74 -7.722 13.947 -29.895 1.00 2.21 H new ATOM 0 HG21 VAL A 74 -6.477 12.920 -27.266 1.00 33.15 H new ATOM 0 HG22 VAL A 74 -5.966 12.367 -28.878 1.00 33.15 H new ATOM 0 HG23 VAL A 74 -4.769 13.044 -27.749 1.00 33.15 H new ATOM 1122 N SER A 75 -6.094 16.578 -31.148 1.00 64.13 N ATOM 1123 CA SER A 75 -6.286 17.953 -31.593 1.00 52.22 C ATOM 1124 C SER A 75 -7.619 18.504 -31.095 1.00 71.31 C ATOM 1125 O SER A 75 -8.590 17.763 -30.939 1.00 53.30 O ATOM 1126 CB SER A 75 -6.228 18.031 -33.120 1.00 30.50 C ATOM 1127 OG SER A 75 -6.317 19.372 -33.566 1.00 55.54 O ATOM 0 H SER A 75 -6.687 15.895 -31.620 1.00 64.13 H new ATOM 0 HA SER A 75 -5.482 18.559 -31.175 1.00 52.22 H new ATOM 0 HB2 SER A 75 -5.298 17.588 -33.475 1.00 30.50 H new ATOM 0 HB3 SER A 75 -7.043 17.447 -33.548 1.00 30.50 H new ATOM 0 HG SER A 75 -6.276 19.395 -34.545 1.00 55.54 H new ATOM 1133 N PHE A 76 -7.657 19.809 -30.847 1.00 75.32 N ATOM 1134 CA PHE A 76 -8.870 20.460 -30.366 1.00 11.03 C ATOM 1135 C PHE A 76 -8.939 21.906 -30.849 1.00 33.23 C ATOM 1136 O PHE A 76 -7.983 22.426 -31.424 1.00 72.21 O ATOM 1137 CB PHE A 76 -8.924 20.418 -28.837 1.00 75.02 C ATOM 1138 CG PHE A 76 -9.313 19.075 -28.288 1.00 11.11 C ATOM 1139 CD1 PHE A 76 -10.637 18.668 -28.291 1.00 34.40 C ATOM 1140 CD2 PHE A 76 -8.354 18.220 -27.769 1.00 12.20 C ATOM 1141 CE1 PHE A 76 -10.998 17.433 -27.785 1.00 63.24 C ATOM 1142 CE2 PHE A 76 -8.709 16.984 -27.262 1.00 65.14 C ATOM 1143 CZ PHE A 76 -10.032 16.589 -27.272 1.00 10.44 C ATOM 0 H PHE A 76 -6.862 20.436 -30.971 1.00 75.32 H new ATOM 0 HA PHE A 76 -9.727 19.920 -30.768 1.00 11.03 H new ATOM 0 HB2 PHE A 76 -7.948 20.695 -28.439 1.00 75.02 H new ATOM 0 HB3 PHE A 76 -9.636 21.165 -28.486 1.00 75.02 H new ATOM 0 HD1 PHE A 76 -11.396 19.323 -28.693 1.00 34.40 H new ATOM 0 HD2 PHE A 76 -7.317 18.523 -27.761 1.00 12.20 H new ATOM 0 HE1 PHE A 76 -12.034 17.128 -27.791 1.00 63.24 H new ATOM 0 HE2 PHE A 76 -7.952 16.328 -26.858 1.00 65.14 H new ATOM 0 HZ PHE A 76 -10.311 15.622 -26.880 1.00 10.44 H new ATOM 1153 N ASP A 77 -10.077 22.549 -30.611 1.00 33.41 N ATOM 1154 CA ASP A 77 -10.273 23.934 -31.021 1.00 4.53 C ATOM 1155 C ASP A 77 -10.781 24.779 -29.856 1.00 72.25 C ATOM 1156 O ASP A 77 -11.679 24.366 -29.122 1.00 23.11 O ATOM 1157 CB ASP A 77 -11.257 24.009 -32.189 1.00 45.33 C ATOM 1158 CG ASP A 77 -12.429 23.064 -32.020 1.00 73.41 C ATOM 1159 OD1 ASP A 77 -12.308 21.889 -32.428 1.00 14.14 O ATOM 1160 OD2 ASP A 77 -13.468 23.498 -31.480 1.00 23.34 O ATOM 0 H ASP A 77 -10.878 22.133 -30.136 1.00 33.41 H new ATOM 0 HA ASP A 77 -9.310 24.331 -31.342 1.00 4.53 H new ATOM 0 HB2 ASP A 77 -11.628 25.030 -32.283 1.00 45.33 H new ATOM 0 HB3 ASP A 77 -10.735 23.773 -33.116 1.00 45.33 H new ATOM 1165 N VAL A 78 -10.201 25.964 -29.693 1.00 62.43 N ATOM 1166 CA VAL A 78 -10.595 26.866 -28.618 1.00 50.44 C ATOM 1167 C VAL A 78 -11.150 28.173 -29.174 1.00 72.01 C ATOM 1168 O VAL A 78 -10.623 28.723 -30.142 1.00 62.20 O ATOM 1169 CB VAL A 78 -9.410 27.180 -27.686 1.00 41.31 C ATOM 1170 CG1 VAL A 78 -8.332 27.951 -28.433 1.00 61.53 C ATOM 1171 CG2 VAL A 78 -9.883 27.957 -26.467 1.00 31.35 C ATOM 0 H VAL A 78 -9.457 26.321 -30.292 1.00 62.43 H new ATOM 0 HA VAL A 78 -11.372 26.358 -28.047 1.00 50.44 H new ATOM 0 HB VAL A 78 -8.980 26.238 -27.345 1.00 41.31 H new ATOM 0 HG11 VAL A 78 -7.503 28.164 -27.758 1.00 61.53 H new ATOM 0 HG12 VAL A 78 -7.973 27.355 -29.272 1.00 61.53 H new ATOM 0 HG13 VAL A 78 -8.746 28.888 -28.805 1.00 61.53 H new ATOM 0 HG21 VAL A 78 -9.033 28.170 -25.819 1.00 31.35 H new ATOM 0 HG22 VAL A 78 -10.339 28.894 -26.787 1.00 31.35 H new ATOM 0 HG23 VAL A 78 -10.616 27.364 -25.920 1.00 31.35 H new ATOM 1181 N LEU A 79 -12.217 28.666 -28.556 1.00 15.22 N ATOM 1182 CA LEU A 79 -12.845 29.910 -28.988 1.00 13.12 C ATOM 1183 C LEU A 79 -13.338 30.716 -27.790 1.00 74.22 C ATOM 1184 O LEU A 79 -13.956 30.172 -26.874 1.00 42.05 O ATOM 1185 CB LEU A 79 -14.011 29.614 -29.933 1.00 12.40 C ATOM 1186 CG LEU A 79 -13.851 30.108 -31.371 1.00 51.13 C ATOM 1187 CD1 LEU A 79 -13.692 28.934 -32.324 1.00 64.42 C ATOM 1188 CD2 LEU A 79 -15.040 30.968 -31.776 1.00 21.34 C ATOM 0 H LEU A 79 -12.666 28.224 -27.754 1.00 15.22 H new ATOM 0 HA LEU A 79 -12.098 30.501 -29.517 1.00 13.12 H new ATOM 0 HB2 LEU A 79 -14.169 28.536 -29.956 1.00 12.40 H new ATOM 0 HB3 LEU A 79 -14.914 30.060 -29.515 1.00 12.40 H new ATOM 0 HG LEU A 79 -12.950 30.719 -31.426 1.00 51.13 H new ATOM 0 HD11 LEU A 79 -13.579 29.305 -33.343 1.00 64.42 H new ATOM 0 HD12 LEU A 79 -12.809 28.358 -32.048 1.00 64.42 H new ATOM 0 HD13 LEU A 79 -14.574 28.296 -32.266 1.00 64.42 H new ATOM 0 HD21 LEU A 79 -14.908 31.311 -32.802 1.00 21.34 H new ATOM 0 HD22 LEU A 79 -15.955 30.381 -31.704 1.00 21.34 H new ATOM 0 HD23 LEU A 79 -15.109 31.830 -31.112 1.00 21.34 H new ATOM 1200 N VAL A 80 -13.063 32.016 -27.805 1.00 14.33 N ATOM 1201 CA VAL A 80 -13.482 32.898 -26.722 1.00 3.23 C ATOM 1202 C VAL A 80 -14.761 33.644 -27.084 1.00 10.34 C ATOM 1203 O VAL A 80 -14.883 34.193 -28.179 1.00 12.14 O ATOM 1204 CB VAL A 80 -12.384 33.922 -26.376 1.00 30.24 C ATOM 1205 CG1 VAL A 80 -12.160 34.878 -27.537 1.00 50.11 C ATOM 1206 CG2 VAL A 80 -12.746 34.683 -25.110 1.00 13.35 C ATOM 0 H VAL A 80 -12.552 32.482 -28.555 1.00 14.33 H new ATOM 0 HA VAL A 80 -13.667 32.266 -25.853 1.00 3.23 H new ATOM 0 HB VAL A 80 -11.453 33.384 -26.196 1.00 30.24 H new ATOM 0 HG11 VAL A 80 -11.381 35.594 -27.274 1.00 50.11 H new ATOM 0 HG12 VAL A 80 -11.853 34.315 -28.418 1.00 50.11 H new ATOM 0 HG13 VAL A 80 -13.086 35.412 -27.752 1.00 50.11 H new ATOM 0 HG21 VAL A 80 -11.960 35.402 -24.880 1.00 13.35 H new ATOM 0 HG22 VAL A 80 -13.688 35.211 -25.260 1.00 13.35 H new ATOM 0 HG23 VAL A 80 -12.850 33.982 -24.282 1.00 13.35 H new ATOM 1216 N SER A 81 -15.713 33.661 -26.156 1.00 23.33 N ATOM 1217 CA SER A 81 -16.985 34.337 -26.378 1.00 34.11 C ATOM 1218 C SER A 81 -16.991 35.713 -25.720 1.00 52.41 C ATOM 1219 O SER A 81 -16.190 36.009 -24.833 1.00 41.45 O ATOM 1220 CB SER A 81 -18.138 33.493 -25.831 1.00 21.43 C ATOM 1221 OG SER A 81 -17.696 32.193 -25.478 1.00 42.24 O ATOM 0 H SER A 81 -15.627 33.214 -25.243 1.00 23.33 H new ATOM 0 HA SER A 81 -17.117 34.466 -27.452 1.00 34.11 H new ATOM 0 HB2 SER A 81 -18.570 33.983 -24.958 1.00 21.43 H new ATOM 0 HB3 SER A 81 -18.927 33.421 -26.579 1.00 21.43 H new ATOM 0 HG SER A 81 -17.324 31.748 -26.268 1.00 42.24 H new ATOM 1227 N PRO A 82 -17.917 36.576 -26.164 1.00 12.41 N ATOM 1228 CA PRO A 82 -18.051 37.936 -25.633 1.00 14.04 C ATOM 1229 C PRO A 82 -18.582 37.950 -24.203 1.00 51.12 C ATOM 1230 O PRO A 82 -18.545 38.978 -23.526 1.00 72.30 O ATOM 1231 CB PRO A 82 -19.057 38.591 -26.583 1.00 32.51 C ATOM 1232 CG PRO A 82 -19.851 37.457 -27.134 1.00 31.32 C ATOM 1233 CD PRO A 82 -18.905 36.291 -27.218 1.00 42.13 C ATOM 0 HA PRO A 82 -17.092 38.451 -25.585 1.00 14.04 H new ATOM 0 HB2 PRO A 82 -19.694 39.301 -26.056 1.00 32.51 H new ATOM 0 HB3 PRO A 82 -18.552 39.143 -27.376 1.00 32.51 H new ATOM 0 HG2 PRO A 82 -20.699 37.225 -26.490 1.00 31.32 H new ATOM 0 HG3 PRO A 82 -20.254 37.704 -28.116 1.00 31.32 H new ATOM 0 HD2 PRO A 82 -19.417 35.345 -27.043 1.00 42.13 H new ATOM 0 HD3 PRO A 82 -18.437 36.223 -28.200 1.00 42.13 H new ATOM 1241 N LYS A 83 -19.075 36.803 -23.749 1.00 15.01 N ATOM 1242 CA LYS A 83 -19.613 36.682 -22.399 1.00 24.12 C ATOM 1243 C LYS A 83 -20.120 35.267 -22.140 1.00 22.21 C ATOM 1244 O LYS A 83 -20.172 34.440 -23.050 1.00 12.11 O ATOM 1245 CB LYS A 83 -20.746 37.688 -22.187 1.00 10.15 C ATOM 1246 CG LYS A 83 -20.600 38.510 -20.918 1.00 2.32 C ATOM 1247 CD LYS A 83 -21.792 39.429 -20.708 1.00 61.21 C ATOM 1248 CE LYS A 83 -21.352 40.842 -20.356 1.00 62.43 C ATOM 1249 NZ LYS A 83 -22.510 41.716 -20.021 1.00 23.10 N ATOM 0 H LYS A 83 -19.113 35.943 -24.296 1.00 15.01 H new ATOM 0 HA LYS A 83 -18.809 36.896 -21.694 1.00 24.12 H new ATOM 0 HB2 LYS A 83 -20.788 38.361 -23.043 1.00 10.15 H new ATOM 0 HB3 LYS A 83 -21.695 37.153 -22.156 1.00 10.15 H new ATOM 0 HG2 LYS A 83 -20.498 37.844 -20.062 1.00 2.32 H new ATOM 0 HG3 LYS A 83 -19.687 39.103 -20.971 1.00 2.32 H new ATOM 0 HD2 LYS A 83 -22.400 39.451 -21.613 1.00 61.21 H new ATOM 0 HD3 LYS A 83 -22.421 39.034 -19.911 1.00 61.21 H new ATOM 0 HE2 LYS A 83 -20.666 40.808 -19.510 1.00 62.43 H new ATOM 0 HE3 LYS A 83 -20.804 41.271 -21.195 1.00 62.43 H new ATOM 0 HZ1 LYS A 83 -22.169 42.670 -19.787 1.00 23.10 H new ATOM 0 HZ2 LYS A 83 -23.153 41.769 -20.837 1.00 23.10 H new ATOM 0 HZ3 LYS A 83 -23.019 41.320 -19.205 1.00 23.10 H new ATOM 1263 N ALA A 84 -20.493 34.996 -20.894 1.00 35.23 N ATOM 1264 CA ALA A 84 -21.000 33.682 -20.517 1.00 22.04 C ATOM 1265 C ALA A 84 -21.413 33.653 -19.049 1.00 55.52 C ATOM 1266 O ALA A 84 -21.212 32.656 -18.357 1.00 1.20 O ATOM 1267 CB ALA A 84 -19.952 32.614 -20.793 1.00 33.55 C ATOM 0 H ALA A 84 -20.454 35.669 -20.128 1.00 35.23 H new ATOM 0 HA ALA A 84 -21.884 33.474 -21.120 1.00 22.04 H new ATOM 0 HB1 ALA A 84 -20.343 31.638 -20.507 1.00 33.55 H new ATOM 0 HB2 ALA A 84 -19.708 32.610 -21.855 1.00 33.55 H new ATOM 0 HB3 ALA A 84 -19.053 32.828 -20.215 1.00 33.55 H new ATOM 1273 N ALA A 85 -21.992 34.754 -18.581 1.00 13.41 N ATOM 1274 CA ALA A 85 -22.435 34.854 -17.196 1.00 13.52 C ATOM 1275 C ALA A 85 -23.666 33.989 -16.949 1.00 71.42 C ATOM 1276 O ALA A 85 -24.616 34.004 -17.733 1.00 12.40 O ATOM 1277 CB ALA A 85 -22.727 36.304 -16.839 1.00 14.34 C ATOM 0 H ALA A 85 -22.165 35.589 -19.141 1.00 13.41 H new ATOM 0 HA ALA A 85 -21.632 34.488 -16.557 1.00 13.52 H new ATOM 0 HB1 ALA A 85 -23.057 36.364 -15.802 1.00 14.34 H new ATOM 0 HB2 ALA A 85 -21.823 36.899 -16.967 1.00 14.34 H new ATOM 0 HB3 ALA A 85 -23.511 36.689 -17.492 1.00 14.34 H new ATOM 1283 N LEU A 86 -23.643 33.233 -15.857 1.00 2.33 N ATOM 1284 CA LEU A 86 -24.757 32.359 -15.507 1.00 14.41 C ATOM 1285 C LEU A 86 -24.597 31.813 -14.092 1.00 35.12 C ATOM 1286 O LEU A 86 -25.432 32.060 -13.222 1.00 41.44 O ATOM 1287 CB LEU A 86 -24.857 31.204 -16.504 1.00 33.41 C ATOM 1288 CG LEU A 86 -26.266 30.682 -16.788 1.00 54.43 C ATOM 1289 CD1 LEU A 86 -26.996 31.611 -17.746 1.00 41.23 C ATOM 1290 CD2 LEU A 86 -26.209 29.270 -17.352 1.00 20.03 C ATOM 0 H LEU A 86 -22.865 33.208 -15.198 1.00 2.33 H new ATOM 0 HA LEU A 86 -25.674 32.946 -15.548 1.00 14.41 H new ATOM 0 HB2 LEU A 86 -24.413 31.525 -17.447 1.00 33.41 H new ATOM 0 HB3 LEU A 86 -24.253 30.376 -16.132 1.00 33.41 H new ATOM 0 HG LEU A 86 -26.818 30.654 -15.849 1.00 54.43 H new ATOM 0 HD11 LEU A 86 -27.997 31.224 -17.937 1.00 41.23 H new ATOM 0 HD12 LEU A 86 -27.069 32.605 -17.304 1.00 41.23 H new ATOM 0 HD13 LEU A 86 -26.445 31.671 -18.685 1.00 41.23 H new ATOM 0 HD21 LEU A 86 -27.221 28.915 -17.548 1.00 20.03 H new ATOM 0 HD22 LEU A 86 -25.639 29.272 -18.281 1.00 20.03 H new ATOM 0 HD23 LEU A 86 -25.726 28.610 -16.632 1.00 20.03 H new ATOM 1302 N ASN A 87 -23.518 31.070 -13.868 1.00 73.03 N ATOM 1303 CA ASN A 87 -23.248 30.490 -12.558 1.00 22.31 C ATOM 1304 C ASN A 87 -22.040 31.156 -11.907 1.00 3.12 C ATOM 1305 O ASN A 87 -21.084 31.531 -12.586 1.00 24.12 O ATOM 1306 CB ASN A 87 -23.008 28.984 -12.684 1.00 24.14 C ATOM 1307 CG ASN A 87 -23.252 28.249 -11.380 1.00 24.31 C ATOM 1308 OD1 ASN A 87 -22.349 28.109 -10.555 1.00 24.40 O ATOM 1309 ND2 ASN A 87 -24.477 27.775 -11.189 1.00 33.35 N ATOM 0 H ASN A 87 -22.817 30.856 -14.577 1.00 73.03 H new ATOM 0 HA ASN A 87 -24.119 30.661 -11.926 1.00 22.31 H new ATOM 0 HB2 ASN A 87 -23.663 28.578 -13.455 1.00 24.14 H new ATOM 0 HB3 ASN A 87 -21.983 28.808 -13.011 1.00 24.14 H new ATOM 0 HD21 ASN A 87 -24.701 27.271 -10.331 1.00 33.35 H new ATOM 0 HD22 ASN A 87 -25.195 27.915 -11.900 1.00 33.35 H new ATOM 1316 N ASP A 88 -22.090 31.300 -10.587 1.00 71.41 N ATOM 1317 CA ASP A 88 -20.999 31.919 -9.843 1.00 55.11 C ATOM 1318 C ASP A 88 -20.330 30.908 -8.917 1.00 54.21 C ATOM 1319 O ASP A 88 -20.600 29.710 -8.993 1.00 50.01 O ATOM 1320 CB ASP A 88 -21.518 33.108 -9.032 1.00 24.42 C ATOM 1321 CG ASP A 88 -22.399 32.679 -7.875 1.00 74.15 C ATOM 1322 OD1 ASP A 88 -23.288 31.827 -8.090 1.00 45.31 O ATOM 1323 OD2 ASP A 88 -22.201 33.194 -6.756 1.00 2.23 O ATOM 0 H ASP A 88 -22.875 30.996 -10.010 1.00 71.41 H new ATOM 0 HA ASP A 88 -20.258 32.273 -10.559 1.00 55.11 H new ATOM 0 HB2 ASP A 88 -20.673 33.679 -8.649 1.00 24.42 H new ATOM 0 HB3 ASP A 88 -22.081 33.773 -9.687 1.00 24.42 H new ATOM 1328 N GLU A 89 -19.456 31.400 -8.045 1.00 13.33 N ATOM 1329 CA GLU A 89 -18.748 30.539 -7.106 1.00 25.32 C ATOM 1330 C GLU A 89 -19.680 30.060 -5.997 1.00 23.05 C ATOM 1331 O GLU A 89 -19.228 29.595 -4.951 1.00 21.32 O ATOM 1332 CB GLU A 89 -17.554 31.280 -6.500 1.00 12.33 C ATOM 1333 CG GLU A 89 -16.214 30.838 -7.061 1.00 65.22 C ATOM 1334 CD GLU A 89 -15.108 31.840 -6.790 1.00 30.42 C ATOM 1335 OE1 GLU A 89 -15.404 32.910 -6.219 1.00 24.02 O ATOM 1336 OE2 GLU A 89 -13.947 31.552 -7.149 1.00 3.34 O ATOM 0 H GLU A 89 -19.221 32.390 -7.969 1.00 13.33 H new ATOM 0 HA GLU A 89 -18.386 29.669 -7.653 1.00 25.32 H new ATOM 0 HB2 GLU A 89 -17.675 32.349 -6.673 1.00 12.33 H new ATOM 0 HB3 GLU A 89 -17.554 31.129 -5.420 1.00 12.33 H new ATOM 0 HG2 GLU A 89 -15.942 29.876 -6.626 1.00 65.22 H new ATOM 0 HG3 GLU A 89 -16.307 30.687 -8.137 1.00 65.22 H new TER 1343 GLU A 89