USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1047 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 114 THR OG1 : rot -28:sc= 0.407 USER MOD Set 1.2: A 125 THR OG1 : rot 54:sc= 1 USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 HIS : no HE2:sc= -6! C(o=-6!,f=-6.8!) USER MOD Set 3.1: A 67 CYS SG : rot -82:sc= -1.52 USER MOD Set 3.2: A 71 HIS : no HD1:sc= -5.65! C(o=-9.9!,f=-17!) USER MOD Set 3.3: A 90 SER OG : rot 169:sc= -2.04! USER MOD Set 3.4: A 94 THR OG1 : rot 79:sc= 1.04 USER MOD Set 3.5: A 120 SER OG : rot 167:sc= -1.72 USER MOD Set 4.1: A 77 HIS : no HD1:sc= -14.6! C(o=-18!,f=-14!) USER MOD Set 4.2: A 79 HIS : no HE2:sc= -3.56! C(o=-18!,f=-16!) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.155 (180deg=-0.708) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.309 (180deg=-1.82!) USER MOD Single : A 6 ASN : amide:sc= -0.329 K(o=-0.33,f=-5.1!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 10 SER OG : rot 41:sc= 0.0227 USER MOD Single : A 16 CYS SG : rot -55:sc= -1.37 USER MOD Single : A 18 THR OG1 : rot -35:sc= 0.365 USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= -0.357 (180deg=-1.66!) USER MOD Single : A 28 HIS : no HD1:sc= -4.11! K(o=-4.1!,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -1.56! (180deg=-2.84!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.64) USER MOD Single : A 58 CYS SG : rot 141:sc= -2.86! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -30:sc= -2.57 USER MOD Single : A 78 LYS NZ :NH3+ -137:sc= 0.826 (180deg=-2.64!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -3.88! C(o=-3.9!,f=-2.3!) USER MOD Single : A 98 HIS : no HD1:sc= -2.39! K(o=-2.4!,f=-0.94) USER MOD Single : A 104 HIS : no HD1:sc= -3.39! C(o=-3.4!,f=-2.8!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -2.05 K(o=-2.1,f=-1.4) USER MOD Single : A 108 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.16) USER MOD Single : A 113 SER OG : rot 100:sc= -2.16! USER MOD Single : A 116 SER OG : rot 28:sc= 0.296! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 124 TYR OH : rot 180:sc= -0.71 USER MOD Single : A 129 LYS NZ :NH3+ 155:sc= -0.518 (180deg=-1.02) USER MOD Single : A 131 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.018) USER MOD Single : A 132 THR OG1 : rot 32:sc= 0.476 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 11.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.246 1.00 3.05 C ATOM 3 C MET A 1 2.471 -1.422 -1.646 1.00 70.12 C ATOM 4 O MET A 1 3.253 -2.071 -0.952 1.00 53.35 O ATOM 5 CB MET A 1 3.331 0.856 -1.085 1.00 42.14 C ATOM 6 CG MET A 1 2.977 2.270 -0.620 1.00 35.10 C ATOM 7 SD MET A 1 4.390 3.027 0.163 1.00 4.41 S ATOM 8 CE MET A 1 4.627 4.430 -0.915 1.00 44.01 C ATOM 0 H1 MET A 1 0.708 0.836 0.034 1.00 11.00 H new ATOM 0 H2 MET A 1 0.745 -0.861 0.056 1.00 11.00 H new ATOM 0 H3 MET A 1 1.987 0.025 0.802 1.00 11.00 H new ATOM 0 HA MET A 1 1.438 0.414 -2.030 1.00 3.05 H new ATOM 0 HB2 MET A 1 4.002 0.390 -0.364 1.00 42.14 H new ATOM 0 HB3 MET A 1 3.866 0.905 -2.034 1.00 42.14 H new ATOM 0 HG2 MET A 1 2.657 2.872 -1.470 1.00 35.10 H new ATOM 0 HG3 MET A 1 2.140 2.233 0.078 1.00 35.10 H new ATOM 0 HE1 MET A 1 5.668 4.752 -0.870 1.00 44.01 H new ATOM 0 HE2 MET A 1 4.378 4.149 -1.938 1.00 44.01 H new ATOM 0 HE3 MET A 1 3.981 5.248 -0.596 1.00 44.01 H new ATOM 18 N ALA A 2 1.915 -1.865 -2.764 1.00 73.02 N ATOM 19 CA ALA A 2 2.202 -3.198 -3.266 1.00 34.34 C ATOM 20 C ALA A 2 2.529 -3.118 -4.758 1.00 2.21 C ATOM 21 O ALA A 2 2.510 -2.036 -5.344 1.00 31.42 O ATOM 22 CB ALA A 2 1.013 -4.118 -2.978 1.00 64.53 C ATOM 0 H ALA A 2 1.267 -1.324 -3.337 1.00 73.02 H new ATOM 0 HA ALA A 2 3.071 -3.619 -2.761 1.00 34.34 H new ATOM 0 HB1 ALA A 2 1.227 -5.118 -3.354 1.00 64.53 H new ATOM 0 HB2 ALA A 2 0.841 -4.164 -1.903 1.00 64.53 H new ATOM 0 HB3 ALA A 2 0.123 -3.728 -3.472 1.00 64.53 H new ATOM 28 N ALA A 3 2.822 -4.276 -5.330 1.00 65.21 N ATOM 29 CA ALA A 3 3.154 -4.350 -6.743 1.00 31.41 C ATOM 30 C ALA A 3 2.317 -5.449 -7.402 1.00 13.43 C ATOM 31 O ALA A 3 2.371 -6.607 -6.990 1.00 43.44 O ATOM 32 CB ALA A 3 4.657 -4.588 -6.903 1.00 51.31 C ATOM 0 H ALA A 3 2.837 -5.171 -4.841 1.00 65.21 H new ATOM 0 HA ALA A 3 2.918 -3.410 -7.242 1.00 31.41 H new ATOM 0 HB1 ALA A 3 4.906 -4.643 -7.963 1.00 51.31 H new ATOM 0 HB2 ALA A 3 5.206 -3.766 -6.444 1.00 51.31 H new ATOM 0 HB3 ALA A 3 4.931 -5.524 -6.417 1.00 51.31 H new ATOM 38 N ALA A 4 1.562 -5.046 -8.413 1.00 74.22 N ATOM 39 CA ALA A 4 0.714 -5.982 -9.133 1.00 1.31 C ATOM 40 C ALA A 4 0.925 -5.800 -10.637 1.00 74.44 C ATOM 41 O ALA A 4 -0.037 -5.780 -11.404 1.00 42.53 O ATOM 42 CB ALA A 4 -0.744 -5.773 -8.719 1.00 1.32 C ATOM 0 H ALA A 4 1.519 -4.085 -8.751 1.00 74.22 H new ATOM 0 HA ALA A 4 0.979 -7.010 -8.885 1.00 1.31 H new ATOM 0 HB1 ALA A 4 -1.380 -6.475 -9.259 1.00 1.32 H new ATOM 0 HB2 ALA A 4 -0.846 -5.942 -7.647 1.00 1.32 H new ATOM 0 HB3 ALA A 4 -1.047 -4.753 -8.956 1.00 1.32 H new ATOM 48 N VAL A 5 2.188 -5.674 -11.015 1.00 4.03 N ATOM 49 CA VAL A 5 2.537 -5.495 -12.414 1.00 24.12 C ATOM 50 C VAL A 5 2.186 -6.766 -13.189 1.00 74.33 C ATOM 51 O VAL A 5 2.824 -7.802 -13.012 1.00 64.52 O ATOM 52 CB VAL A 5 4.012 -5.107 -12.540 1.00 10.21 C ATOM 53 CG1 VAL A 5 4.298 -3.795 -11.806 1.00 60.02 C ATOM 54 CG2 VAL A 5 4.920 -6.229 -12.032 1.00 13.33 C ATOM 0 H VAL A 5 2.983 -5.692 -10.376 1.00 4.03 H new ATOM 0 HA VAL A 5 1.961 -4.678 -12.850 1.00 24.12 H new ATOM 0 HB VAL A 5 4.229 -4.954 -13.597 1.00 10.21 H new ATOM 0 HG11 VAL A 5 5.353 -3.542 -11.911 1.00 60.02 H new ATOM 0 HG12 VAL A 5 3.689 -2.998 -12.234 1.00 60.02 H new ATOM 0 HG13 VAL A 5 4.056 -3.909 -10.749 1.00 60.02 H new ATOM 0 HG21 VAL A 5 5.963 -5.927 -12.133 1.00 13.33 H new ATOM 0 HG22 VAL A 5 4.700 -6.429 -10.983 1.00 13.33 H new ATOM 0 HG23 VAL A 5 4.745 -7.132 -12.617 1.00 13.33 H new ATOM 64 N ASN A 6 1.171 -6.645 -14.032 1.00 74.21 N ATOM 65 CA ASN A 6 0.726 -7.772 -14.835 1.00 42.32 C ATOM 66 C ASN A 6 1.039 -7.498 -16.308 1.00 3.24 C ATOM 67 O ASN A 6 1.020 -8.412 -17.130 1.00 40.24 O ATOM 68 CB ASN A 6 -0.784 -7.980 -14.704 1.00 22.11 C ATOM 69 CG ASN A 6 -1.555 -6.875 -15.428 1.00 41.22 C ATOM 70 OD1 ASN A 6 -1.139 -5.730 -15.489 1.00 41.53 O ATOM 71 ND2 ASN A 6 -2.699 -7.281 -15.972 1.00 43.51 N ATOM 0 H ASN A 6 0.644 -5.784 -14.177 1.00 74.21 H new ATOM 0 HA ASN A 6 1.245 -8.663 -14.482 1.00 42.32 H new ATOM 0 HB2 ASN A 6 -1.058 -8.950 -15.118 1.00 22.11 H new ATOM 0 HB3 ASN A 6 -1.063 -7.992 -13.650 1.00 22.11 H new ATOM 0 HD21 ASN A 6 -3.287 -6.618 -16.478 1.00 43.51 H new ATOM 0 HD22 ASN A 6 -2.988 -8.255 -15.884 1.00 43.51 H new ATOM 78 N SER A 7 1.321 -6.235 -16.595 1.00 34.33 N ATOM 79 CA SER A 7 1.637 -5.830 -17.954 1.00 4.45 C ATOM 80 C SER A 7 2.866 -6.592 -18.454 1.00 41.41 C ATOM 81 O SER A 7 3.825 -6.788 -17.709 1.00 62.05 O ATOM 82 CB SER A 7 1.879 -4.321 -18.036 1.00 34.03 C ATOM 83 OG SER A 7 1.915 -3.859 -19.383 1.00 41.23 O ATOM 0 H SER A 7 1.337 -5.480 -15.910 1.00 34.33 H new ATOM 0 HA SER A 7 0.785 -6.070 -18.590 1.00 4.45 H new ATOM 0 HB2 SER A 7 1.091 -3.798 -17.494 1.00 34.03 H new ATOM 0 HB3 SER A 7 2.821 -4.077 -17.544 1.00 34.03 H new ATOM 0 HG SER A 7 2.070 -2.891 -19.393 1.00 41.23 H new ATOM 89 N GLY A 8 2.797 -7.000 -19.713 1.00 21.24 N ATOM 90 CA GLY A 8 3.892 -7.736 -20.322 1.00 31.45 C ATOM 91 C GLY A 8 4.302 -8.927 -19.453 1.00 32.50 C ATOM 92 O GLY A 8 3.677 -9.197 -18.428 1.00 61.33 O ATOM 0 H GLY A 8 2.000 -6.835 -20.328 1.00 21.24 H new ATOM 0 HA2 GLY A 8 3.594 -8.087 -21.310 1.00 31.45 H new ATOM 0 HA3 GLY A 8 4.746 -7.074 -20.464 1.00 31.45 H new ATOM 96 N SER A 9 5.349 -9.608 -19.894 1.00 62.25 N ATOM 97 CA SER A 9 5.850 -10.764 -19.170 1.00 71.12 C ATOM 98 C SER A 9 6.569 -10.313 -17.897 1.00 50.13 C ATOM 99 O SER A 9 6.176 -10.685 -16.793 1.00 21.41 O ATOM 100 CB SER A 9 6.790 -11.597 -20.044 1.00 41.31 C ATOM 101 OG SER A 9 7.568 -10.783 -20.918 1.00 14.41 O ATOM 0 H SER A 9 5.865 -9.381 -20.744 1.00 62.25 H new ATOM 0 HA SER A 9 5.001 -11.391 -18.897 1.00 71.12 H new ATOM 0 HB2 SER A 9 7.453 -12.182 -19.407 1.00 41.31 H new ATOM 0 HB3 SER A 9 6.206 -12.305 -20.632 1.00 41.31 H new ATOM 0 HG SER A 9 8.156 -11.352 -21.458 1.00 14.41 H new ATOM 107 N SER A 10 7.610 -9.517 -18.094 1.00 53.04 N ATOM 108 CA SER A 10 8.387 -9.011 -16.976 1.00 43.11 C ATOM 109 C SER A 10 9.384 -7.959 -17.466 1.00 5.23 C ATOM 110 O SER A 10 10.226 -8.244 -18.316 1.00 61.30 O ATOM 111 CB SER A 10 9.122 -10.145 -16.258 1.00 53.21 C ATOM 112 OG SER A 10 9.753 -11.036 -17.174 1.00 2.24 O ATOM 0 H SER A 10 7.933 -9.210 -19.012 1.00 53.04 H new ATOM 0 HA SER A 10 7.702 -8.550 -16.264 1.00 43.11 H new ATOM 0 HB2 SER A 10 9.871 -9.724 -15.587 1.00 53.21 H new ATOM 0 HB3 SER A 10 8.417 -10.700 -15.640 1.00 53.21 H new ATOM 0 HG SER A 10 10.170 -10.521 -17.896 1.00 2.24 H new ATOM 118 N LEU A 11 9.257 -6.764 -16.908 1.00 12.04 N ATOM 119 CA LEU A 11 10.136 -5.668 -17.277 1.00 3.23 C ATOM 120 C LEU A 11 10.774 -5.084 -16.014 1.00 54.23 C ATOM 121 O LEU A 11 10.242 -5.241 -14.916 1.00 71.14 O ATOM 122 CB LEU A 11 9.383 -4.636 -18.119 1.00 34.33 C ATOM 123 CG LEU A 11 8.915 -5.108 -19.497 1.00 30.20 C ATOM 124 CD1 LEU A 11 10.106 -5.478 -20.383 1.00 20.41 C ATOM 125 CD2 LEU A 11 7.914 -6.259 -19.372 1.00 40.42 C ATOM 0 H LEU A 11 8.558 -6.531 -16.203 1.00 12.04 H new ATOM 0 HA LEU A 11 10.948 -6.028 -17.908 1.00 3.23 H new ATOM 0 HB2 LEU A 11 8.511 -4.303 -17.556 1.00 34.33 H new ATOM 0 HB3 LEU A 11 10.027 -3.767 -18.254 1.00 34.33 H new ATOM 0 HG LEU A 11 8.396 -4.282 -19.983 1.00 30.20 H new ATOM 0 HD11 LEU A 11 9.746 -5.810 -21.357 1.00 20.41 H new ATOM 0 HD12 LEU A 11 10.748 -4.607 -20.512 1.00 20.41 H new ATOM 0 HD13 LEU A 11 10.674 -6.281 -19.913 1.00 20.41 H new ATOM 0 HD21 LEU A 11 7.597 -6.575 -20.366 1.00 40.42 H new ATOM 0 HD22 LEU A 11 8.385 -7.097 -18.857 1.00 40.42 H new ATOM 0 HD23 LEU A 11 7.046 -5.926 -18.804 1.00 40.42 H new ATOM 137 N PRO A 12 11.934 -4.404 -16.218 1.00 30.32 N ATOM 138 CA PRO A 12 12.649 -3.796 -15.109 1.00 44.01 C ATOM 139 C PRO A 12 11.946 -2.522 -14.636 1.00 22.35 C ATOM 140 O PRO A 12 10.773 -2.309 -14.935 1.00 54.24 O ATOM 141 CB PRO A 12 14.051 -3.539 -15.639 1.00 13.02 C ATOM 142 CG PRO A 12 13.938 -3.582 -17.154 1.00 51.11 C ATOM 143 CD PRO A 12 12.593 -4.198 -17.504 1.00 42.21 C ATOM 0 HA PRO A 12 12.682 -4.436 -14.228 1.00 44.01 H new ATOM 0 HB2 PRO A 12 14.425 -2.572 -15.302 1.00 13.02 H new ATOM 0 HB3 PRO A 12 14.750 -4.294 -15.278 1.00 13.02 H new ATOM 0 HG2 PRO A 12 14.018 -2.578 -17.571 1.00 51.11 H new ATOM 0 HG3 PRO A 12 14.750 -4.171 -17.581 1.00 51.11 H new ATOM 0 HD2 PRO A 12 12.010 -3.538 -18.146 1.00 42.21 H new ATOM 0 HD3 PRO A 12 12.716 -5.138 -18.041 1.00 42.21 H new ATOM 151 N LEU A 13 12.694 -1.709 -13.904 1.00 34.35 N ATOM 152 CA LEU A 13 12.157 -0.462 -13.386 1.00 34.44 C ATOM 153 C LEU A 13 12.908 0.712 -14.015 1.00 43.13 C ATOM 154 O LEU A 13 12.529 1.867 -13.830 1.00 53.45 O ATOM 155 CB LEU A 13 12.185 -0.461 -11.856 1.00 33.31 C ATOM 156 CG LEU A 13 13.311 -1.267 -11.205 1.00 40.11 C ATOM 157 CD1 LEU A 13 13.071 -2.770 -11.361 1.00 12.32 C ATOM 158 CD2 LEU A 13 14.675 -0.845 -11.754 1.00 42.54 C ATOM 0 H LEU A 13 13.667 -1.890 -13.657 1.00 34.35 H new ATOM 0 HA LEU A 13 11.108 -0.355 -13.663 1.00 34.44 H new ATOM 0 HB2 LEU A 13 12.260 0.571 -11.514 1.00 33.31 H new ATOM 0 HB3 LEU A 13 11.232 -0.848 -11.495 1.00 33.31 H new ATOM 0 HG LEU A 13 13.312 -1.050 -10.137 1.00 40.11 H new ATOM 0 HD11 LEU A 13 13.886 -3.319 -10.890 1.00 12.32 H new ATOM 0 HD12 LEU A 13 12.128 -3.039 -10.885 1.00 12.32 H new ATOM 0 HD13 LEU A 13 13.028 -3.024 -12.420 1.00 12.32 H new ATOM 0 HD21 LEU A 13 15.458 -1.433 -11.275 1.00 42.54 H new ATOM 0 HD22 LEU A 13 14.702 -1.014 -12.831 1.00 42.54 H new ATOM 0 HD23 LEU A 13 14.839 0.213 -11.548 1.00 42.54 H new ATOM 170 N PHE A 14 13.961 0.376 -14.746 1.00 71.13 N ATOM 171 CA PHE A 14 14.769 1.388 -15.404 1.00 42.34 C ATOM 172 C PHE A 14 15.859 0.746 -16.265 1.00 21.22 C ATOM 173 O PHE A 14 16.076 -0.463 -16.198 1.00 31.13 O ATOM 174 CB PHE A 14 15.430 2.219 -14.302 1.00 54.25 C ATOM 175 CG PHE A 14 16.583 3.097 -14.792 1.00 0.40 C ATOM 176 CD1 PHE A 14 16.322 4.286 -15.400 1.00 62.42 C ATOM 177 CD2 PHE A 14 17.869 2.690 -14.619 1.00 31.21 C ATOM 178 CE1 PHE A 14 17.393 5.101 -15.855 1.00 35.45 C ATOM 179 CE2 PHE A 14 18.939 3.505 -15.073 1.00 63.13 C ATOM 180 CZ PHE A 14 18.678 4.693 -15.682 1.00 5.15 C ATOM 0 H PHE A 14 14.273 -0.583 -14.897 1.00 71.13 H new ATOM 0 HA PHE A 14 14.143 1.999 -16.054 1.00 42.34 H new ATOM 0 HB2 PHE A 14 14.675 2.854 -13.838 1.00 54.25 H new ATOM 0 HB3 PHE A 14 15.802 1.547 -13.528 1.00 54.25 H new ATOM 0 HD1 PHE A 14 15.301 4.610 -15.537 1.00 62.42 H new ATOM 0 HD2 PHE A 14 18.076 1.746 -14.136 1.00 31.21 H new ATOM 0 HE1 PHE A 14 17.186 6.044 -16.338 1.00 35.45 H new ATOM 0 HE2 PHE A 14 19.960 3.182 -14.935 1.00 63.13 H new ATOM 0 HZ PHE A 14 19.492 5.312 -16.028 1.00 5.15 H new ATOM 190 N ASP A 15 16.516 1.583 -17.054 1.00 2.34 N ATOM 191 CA ASP A 15 17.578 1.112 -17.926 1.00 43.22 C ATOM 192 C ASP A 15 18.710 2.142 -17.947 1.00 54.02 C ATOM 193 O ASP A 15 18.572 3.208 -18.545 1.00 44.13 O ATOM 194 CB ASP A 15 17.075 0.934 -19.360 1.00 33.22 C ATOM 195 CG ASP A 15 17.880 -0.051 -20.210 1.00 40.22 C ATOM 196 OD1 ASP A 15 18.781 -0.739 -19.709 1.00 5.11 O ATOM 197 OD2 ASP A 15 17.545 -0.097 -21.455 1.00 41.41 O ATOM 0 H ASP A 15 16.333 2.585 -17.108 1.00 2.34 H new ATOM 0 HA ASP A 15 17.927 0.153 -17.544 1.00 43.22 H new ATOM 0 HB2 ASP A 15 16.038 0.599 -19.326 1.00 33.22 H new ATOM 0 HB3 ASP A 15 17.080 1.906 -19.854 1.00 33.22 H new ATOM 203 N CYS A 16 19.802 1.787 -17.287 1.00 42.11 N ATOM 204 CA CYS A 16 20.957 2.667 -17.222 1.00 54.25 C ATOM 205 C CYS A 16 21.494 2.859 -18.642 1.00 1.41 C ATOM 206 O CYS A 16 21.620 1.897 -19.398 1.00 14.24 O ATOM 207 CB CYS A 16 22.029 2.125 -16.275 1.00 14.33 C ATOM 208 SG CYS A 16 23.567 3.101 -16.447 1.00 64.54 S ATOM 0 H CYS A 16 19.912 0.902 -16.792 1.00 42.11 H new ATOM 0 HA CYS A 16 20.659 3.632 -16.813 1.00 54.25 H new ATOM 0 HB2 CYS A 16 21.673 2.170 -15.246 1.00 14.33 H new ATOM 0 HB3 CYS A 16 22.227 1.077 -16.498 1.00 14.33 H new ATOM 0 HG CYS A 16 23.940 3.107 -17.692 1.00 64.54 H new ATOM 214 N PRO A 17 21.805 4.142 -18.970 1.00 2.11 N ATOM 215 CA PRO A 17 22.326 4.473 -20.285 1.00 63.12 C ATOM 216 C PRO A 17 23.790 4.047 -20.418 1.00 50.31 C ATOM 217 O PRO A 17 24.273 3.222 -19.645 1.00 33.51 O ATOM 218 CB PRO A 17 22.130 5.974 -20.420 1.00 75.03 C ATOM 219 CG PRO A 17 21.937 6.498 -19.006 1.00 73.05 C ATOM 220 CD PRO A 17 21.670 5.307 -18.100 1.00 54.15 C ATOM 0 HA PRO A 17 21.811 3.944 -21.087 1.00 63.12 H new ATOM 0 HB2 PRO A 17 22.994 6.440 -20.895 1.00 75.03 H new ATOM 0 HB3 PRO A 17 21.264 6.200 -21.042 1.00 75.03 H new ATOM 0 HG2 PRO A 17 22.824 7.038 -18.675 1.00 73.05 H new ATOM 0 HG3 PRO A 17 21.104 7.200 -18.969 1.00 73.05 H new ATOM 0 HD2 PRO A 17 22.381 5.270 -17.275 1.00 54.15 H new ATOM 0 HD3 PRO A 17 20.674 5.359 -17.660 1.00 54.15 H new ATOM 228 N THR A 18 24.455 4.631 -21.404 1.00 63.32 N ATOM 229 CA THR A 18 25.854 4.322 -21.648 1.00 42.43 C ATOM 230 C THR A 18 26.728 5.545 -21.360 1.00 73.13 C ATOM 231 O THR A 18 27.952 5.472 -21.448 1.00 64.15 O ATOM 232 CB THR A 18 25.982 3.809 -23.084 1.00 33.01 C ATOM 233 OG1 THR A 18 27.287 3.240 -23.135 1.00 3.45 O ATOM 234 CG2 THR A 18 26.029 4.943 -24.109 1.00 43.44 C ATOM 0 H THR A 18 24.051 5.316 -22.043 1.00 63.32 H new ATOM 0 HA THR A 18 26.209 3.541 -20.976 1.00 42.43 H new ATOM 0 HB THR A 18 25.143 3.151 -23.310 1.00 33.01 H new ATOM 0 HG1 THR A 18 27.893 3.761 -22.568 1.00 3.45 H new ATOM 0 HG21 THR A 18 26.120 4.524 -25.111 1.00 43.44 H new ATOM 0 HG22 THR A 18 25.114 5.531 -24.043 1.00 43.44 H new ATOM 0 HG23 THR A 18 26.887 5.583 -23.904 1.00 43.44 H new ATOM 242 N TRP A 19 26.064 6.640 -21.022 1.00 13.30 N ATOM 243 CA TRP A 19 26.764 7.877 -20.721 1.00 3.15 C ATOM 244 C TRP A 19 26.957 7.954 -19.205 1.00 20.04 C ATOM 245 O TRP A 19 27.600 8.875 -18.703 1.00 33.11 O ATOM 246 CB TRP A 19 26.016 9.084 -21.290 1.00 31.11 C ATOM 247 CG TRP A 19 24.494 8.927 -21.295 1.00 70.41 C ATOM 248 CD1 TRP A 19 23.729 8.331 -22.220 1.00 42.14 C ATOM 249 CD2 TRP A 19 23.577 9.399 -20.285 1.00 64.32 C ATOM 250 NE1 TRP A 19 22.392 8.385 -21.882 1.00 62.33 N ATOM 251 CE2 TRP A 19 22.297 9.054 -20.668 1.00 41.40 C ATOM 252 CE3 TRP A 19 23.822 10.094 -19.088 1.00 21.44 C ATOM 253 CZ2 TRP A 19 21.161 9.363 -19.910 1.00 41.22 C ATOM 254 CZ3 TRP A 19 22.676 10.395 -18.342 1.00 23.24 C ATOM 255 CH2 TRP A 19 21.381 10.055 -18.713 1.00 53.43 C ATOM 0 H TRP A 19 25.048 6.696 -20.950 1.00 13.30 H new ATOM 0 HA TRP A 19 27.744 7.891 -21.198 1.00 3.15 H new ATOM 0 HB2 TRP A 19 26.278 9.968 -20.709 1.00 31.11 H new ATOM 0 HB3 TRP A 19 26.356 9.261 -22.310 1.00 31.11 H new ATOM 0 HD1 TRP A 19 24.111 7.867 -23.117 1.00 42.14 H new ATOM 0 HE1 TRP A 19 21.616 8.004 -22.424 1.00 62.33 H new ATOM 0 HE3 TRP A 19 24.815 10.374 -18.769 1.00 21.44 H new ATOM 0 HZ2 TRP A 19 20.169 9.083 -20.231 1.00 41.22 H new ATOM 0 HZ3 TRP A 19 22.808 10.929 -17.413 1.00 23.24 H new ATOM 0 HH2 TRP A 19 20.548 10.323 -18.081 1.00 53.43 H new ATOM 266 N ALA A 20 26.388 6.974 -18.518 1.00 4.14 N ATOM 267 CA ALA A 20 26.490 6.919 -17.069 1.00 54.11 C ATOM 268 C ALA A 20 27.875 6.401 -16.678 1.00 42.23 C ATOM 269 O ALA A 20 28.436 5.543 -17.358 1.00 75.13 O ATOM 270 CB ALA A 20 25.363 6.048 -16.511 1.00 74.42 C ATOM 0 H ALA A 20 25.855 6.212 -18.938 1.00 4.14 H new ATOM 0 HA ALA A 20 26.377 7.914 -16.639 1.00 54.11 H new ATOM 0 HB1 ALA A 20 25.439 6.006 -15.424 1.00 74.42 H new ATOM 0 HB2 ALA A 20 24.400 6.475 -16.791 1.00 74.42 H new ATOM 0 HB3 ALA A 20 25.446 5.041 -16.919 1.00 74.42 H new ATOM 276 N GLY A 21 28.388 6.945 -15.584 1.00 70.41 N ATOM 277 CA GLY A 21 29.697 6.548 -15.095 1.00 4.14 C ATOM 278 C GLY A 21 29.678 6.347 -13.578 1.00 1.41 C ATOM 279 O GLY A 21 28.919 5.526 -13.066 1.00 61.35 O ATOM 0 H GLY A 21 27.921 7.657 -15.023 1.00 70.41 H new ATOM 0 HA2 GLY A 21 30.007 5.624 -15.584 1.00 4.14 H new ATOM 0 HA3 GLY A 21 30.433 7.309 -15.355 1.00 4.14 H new ATOM 283 N LYS A 22 30.522 7.112 -12.901 1.00 42.32 N ATOM 284 CA LYS A 22 30.612 7.029 -11.453 1.00 73.23 C ATOM 285 C LYS A 22 30.828 8.430 -10.878 1.00 54.14 C ATOM 286 O LYS A 22 31.830 9.079 -11.175 1.00 14.02 O ATOM 287 CB LYS A 22 31.687 6.022 -11.040 1.00 43.11 C ATOM 288 CG LYS A 22 31.062 4.790 -10.383 1.00 13.10 C ATOM 289 CD LYS A 22 30.690 3.739 -11.431 1.00 23.12 C ATOM 290 CE LYS A 22 31.783 2.674 -11.551 1.00 13.44 C ATOM 291 NZ LYS A 22 32.085 2.091 -10.225 1.00 23.24 N ATOM 0 H LYS A 22 31.150 7.793 -13.329 1.00 42.32 H new ATOM 0 HA LYS A 22 29.678 6.653 -11.034 1.00 73.23 H new ATOM 0 HB2 LYS A 22 32.262 5.719 -11.915 1.00 43.11 H new ATOM 0 HB3 LYS A 22 32.385 6.493 -10.348 1.00 43.11 H new ATOM 0 HG2 LYS A 22 31.762 4.362 -9.666 1.00 13.10 H new ATOM 0 HG3 LYS A 22 30.173 5.083 -9.825 1.00 13.10 H new ATOM 0 HD2 LYS A 22 29.746 3.267 -11.159 1.00 23.12 H new ATOM 0 HD3 LYS A 22 30.539 4.221 -12.397 1.00 23.12 H new ATOM 0 HE2 LYS A 22 31.461 1.889 -12.235 1.00 13.44 H new ATOM 0 HE3 LYS A 22 32.685 3.116 -11.975 1.00 13.44 H new ATOM 0 HZ1 LYS A 22 32.330 1.086 -10.335 1.00 23.24 H new ATOM 0 HZ2 LYS A 22 32.886 2.598 -9.797 1.00 23.24 H new ATOM 0 HZ3 LYS A 22 31.251 2.178 -9.609 1.00 23.24 H new ATOM 304 N PRO A 23 29.846 8.867 -10.045 1.00 32.01 N ATOM 305 CA PRO A 23 29.919 10.179 -9.426 1.00 14.42 C ATOM 306 C PRO A 23 30.940 10.192 -8.286 1.00 54.32 C ATOM 307 O PRO A 23 31.099 9.198 -7.580 1.00 5.11 O ATOM 308 CB PRO A 23 28.503 10.473 -8.958 1.00 75.10 C ATOM 309 CG PRO A 23 27.791 9.130 -8.914 1.00 4.20 C ATOM 310 CD PRO A 23 28.645 8.126 -9.671 1.00 73.21 C ATOM 0 HA PRO A 23 30.265 10.950 -10.115 1.00 14.42 H new ATOM 0 HB2 PRO A 23 28.507 10.946 -7.976 1.00 75.10 H new ATOM 0 HB3 PRO A 23 28.001 11.159 -9.640 1.00 75.10 H new ATOM 0 HG2 PRO A 23 27.647 8.808 -7.883 1.00 4.20 H new ATOM 0 HG3 PRO A 23 26.802 9.207 -9.365 1.00 4.20 H new ATOM 0 HD2 PRO A 23 28.889 7.265 -9.049 1.00 73.21 H new ATOM 0 HD3 PRO A 23 28.124 7.747 -10.550 1.00 73.21 H new ATOM 318 N PRO A 24 31.622 11.360 -8.139 1.00 35.33 N ATOM 319 CA PRO A 24 32.622 11.515 -7.097 1.00 4.20 C ATOM 320 C PRO A 24 31.965 11.686 -5.726 1.00 31.21 C ATOM 321 O PRO A 24 30.795 12.054 -5.636 1.00 51.51 O ATOM 322 CB PRO A 24 33.443 12.724 -7.517 1.00 33.11 C ATOM 323 CG PRO A 24 32.590 13.477 -8.525 1.00 72.31 C ATOM 324 CD PRO A 24 31.458 12.558 -8.957 1.00 24.04 C ATOM 0 HA PRO A 24 33.257 10.636 -6.990 1.00 4.20 H new ATOM 0 HB2 PRO A 24 33.680 13.353 -6.659 1.00 33.11 H new ATOM 0 HB3 PRO A 24 34.391 12.418 -7.959 1.00 33.11 H new ATOM 0 HG2 PRO A 24 32.192 14.390 -8.082 1.00 72.31 H new ATOM 0 HG3 PRO A 24 33.189 13.775 -9.385 1.00 72.31 H new ATOM 0 HD2 PRO A 24 30.486 13.022 -8.790 1.00 24.04 H new ATOM 0 HD3 PRO A 24 31.521 12.324 -10.020 1.00 24.04 H new ATOM 332 N PRO A 25 32.767 11.402 -4.665 1.00 12.23 N ATOM 333 CA PRO A 25 32.275 11.521 -3.303 1.00 23.44 C ATOM 334 C PRO A 25 32.177 12.988 -2.881 1.00 3.05 C ATOM 335 O PRO A 25 32.974 13.459 -2.070 1.00 51.23 O ATOM 336 CB PRO A 25 33.258 10.724 -2.459 1.00 54.32 C ATOM 337 CG PRO A 25 34.512 10.579 -3.306 1.00 13.21 C ATOM 338 CD PRO A 25 34.157 10.963 -4.733 1.00 65.13 C ATOM 0 HA PRO A 25 31.263 11.133 -3.186 1.00 23.44 H new ATOM 0 HB2 PRO A 25 33.476 11.238 -1.523 1.00 54.32 H new ATOM 0 HB3 PRO A 25 32.848 9.748 -2.198 1.00 54.32 H new ATOM 0 HG2 PRO A 25 35.307 11.220 -2.925 1.00 13.21 H new ATOM 0 HG3 PRO A 25 34.883 9.555 -3.267 1.00 13.21 H new ATOM 0 HD2 PRO A 25 34.805 11.758 -5.102 1.00 65.13 H new ATOM 0 HD3 PRO A 25 34.272 10.117 -5.411 1.00 65.13 H new ATOM 346 N GLY A 26 31.194 13.670 -3.449 1.00 35.41 N ATOM 347 CA GLY A 26 30.981 15.074 -3.142 1.00 31.23 C ATOM 348 C GLY A 26 29.665 15.573 -3.741 1.00 53.01 C ATOM 349 O GLY A 26 29.546 16.744 -4.100 1.00 65.52 O ATOM 0 H GLY A 26 30.535 13.276 -4.121 1.00 35.41 H new ATOM 0 HA2 GLY A 26 30.970 15.216 -2.061 1.00 31.23 H new ATOM 0 HA3 GLY A 26 31.810 15.665 -3.532 1.00 31.23 H new ATOM 353 N LEU A 27 28.708 14.660 -3.831 1.00 4.42 N ATOM 354 CA LEU A 27 27.405 14.993 -4.381 1.00 2.35 C ATOM 355 C LEU A 27 26.314 14.510 -3.423 1.00 60.12 C ATOM 356 O LEU A 27 26.572 13.685 -2.548 1.00 71.32 O ATOM 357 CB LEU A 27 27.266 14.442 -5.801 1.00 30.43 C ATOM 358 CG LEU A 27 28.405 14.777 -6.765 1.00 42.24 C ATOM 359 CD1 LEU A 27 28.370 13.866 -7.994 1.00 32.12 C ATOM 360 CD2 LEU A 27 28.380 16.258 -7.149 1.00 42.04 C ATOM 0 H LEU A 27 28.809 13.690 -3.532 1.00 4.42 H new ATOM 0 HA LEU A 27 27.294 16.074 -4.472 1.00 2.35 H new ATOM 0 HB2 LEU A 27 27.174 13.358 -5.741 1.00 30.43 H new ATOM 0 HB3 LEU A 27 26.335 14.818 -6.226 1.00 30.43 H new ATOM 0 HG LEU A 27 29.350 14.592 -6.254 1.00 42.24 H new ATOM 0 HD11 LEU A 27 29.191 14.126 -8.663 1.00 32.12 H new ATOM 0 HD12 LEU A 27 28.473 12.827 -7.680 1.00 32.12 H new ATOM 0 HD13 LEU A 27 27.422 13.995 -8.516 1.00 32.12 H new ATOM 0 HD21 LEU A 27 29.200 16.470 -7.835 1.00 42.04 H new ATOM 0 HD22 LEU A 27 27.432 16.492 -7.633 1.00 42.04 H new ATOM 0 HD23 LEU A 27 28.490 16.868 -6.253 1.00 42.04 H new ATOM 372 N HIS A 28 25.118 15.044 -3.622 1.00 1.54 N ATOM 373 CA HIS A 28 23.987 14.678 -2.787 1.00 33.12 C ATOM 374 C HIS A 28 22.723 15.371 -3.301 1.00 45.13 C ATOM 375 O HIS A 28 22.782 16.505 -3.774 1.00 11.21 O ATOM 376 CB HIS A 28 24.275 14.985 -1.316 1.00 14.50 C ATOM 377 CG HIS A 28 24.312 16.460 -0.993 1.00 5.20 C ATOM 378 ND1 HIS A 28 25.327 17.296 -1.424 1.00 44.34 N ATOM 379 CD2 HIS A 28 23.450 17.238 -0.278 1.00 1.40 C ATOM 380 CE1 HIS A 28 25.078 18.520 -0.982 1.00 75.03 C ATOM 381 NE2 HIS A 28 23.914 18.482 -0.272 1.00 30.14 N ATOM 0 H HIS A 28 24.908 15.727 -4.349 1.00 1.54 H new ATOM 0 HA HIS A 28 23.820 13.603 -2.847 1.00 33.12 H new ATOM 0 HB2 HIS A 28 23.513 14.507 -0.700 1.00 14.50 H new ATOM 0 HB3 HIS A 28 25.232 14.539 -1.043 1.00 14.50 H new ATOM 0 HD2 HIS A 28 22.544 16.900 0.202 1.00 1.40 H new ATOM 0 HE1 HIS A 28 25.689 19.394 -1.154 1.00 75.03 H new ATOM 0 HE2 HIS A 28 23.473 19.278 0.188 1.00 30.14 H new ATOM 389 N LEU A 29 21.611 14.660 -3.192 1.00 12.11 N ATOM 390 CA LEU A 29 20.335 15.193 -3.640 1.00 63.41 C ATOM 391 C LEU A 29 19.681 15.968 -2.495 1.00 53.12 C ATOM 392 O LEU A 29 20.180 15.962 -1.371 1.00 62.01 O ATOM 393 CB LEU A 29 19.458 14.075 -4.207 1.00 35.12 C ATOM 394 CG LEU A 29 18.448 14.493 -5.278 1.00 31.32 C ATOM 395 CD1 LEU A 29 17.085 14.803 -4.655 1.00 43.24 C ATOM 396 CD2 LEU A 29 18.980 15.664 -6.106 1.00 1.01 C ATOM 0 H LEU A 29 21.566 13.719 -2.800 1.00 12.11 H new ATOM 0 HA LEU A 29 20.482 15.898 -4.459 1.00 63.41 H new ATOM 0 HB2 LEU A 29 20.108 13.308 -4.628 1.00 35.12 H new ATOM 0 HB3 LEU A 29 18.914 13.614 -3.383 1.00 35.12 H new ATOM 0 HG LEU A 29 18.307 13.655 -5.960 1.00 31.32 H new ATOM 0 HD11 LEU A 29 16.386 15.097 -5.438 1.00 43.24 H new ATOM 0 HD12 LEU A 29 16.707 13.916 -4.146 1.00 43.24 H new ATOM 0 HD13 LEU A 29 17.190 15.616 -3.937 1.00 43.24 H new ATOM 0 HD21 LEU A 29 18.243 15.941 -6.860 1.00 1.01 H new ATOM 0 HD22 LEU A 29 19.169 16.516 -5.452 1.00 1.01 H new ATOM 0 HD23 LEU A 29 19.908 15.371 -6.597 1.00 1.01 H new ATOM 408 N ASP A 30 18.572 16.617 -2.820 1.00 45.33 N ATOM 409 CA ASP A 30 17.844 17.396 -1.833 1.00 62.01 C ATOM 410 C ASP A 30 16.398 17.578 -2.299 1.00 23.01 C ATOM 411 O ASP A 30 16.074 17.300 -3.453 1.00 23.15 O ATOM 412 CB ASP A 30 18.464 18.784 -1.661 1.00 14.34 C ATOM 413 CG ASP A 30 19.993 18.818 -1.688 1.00 30.01 C ATOM 414 OD1 ASP A 30 20.624 18.387 -2.665 1.00 11.23 O ATOM 415 OD2 ASP A 30 20.546 19.319 -0.636 1.00 1.22 O ATOM 0 H ASP A 30 18.160 16.619 -3.753 1.00 45.33 H new ATOM 0 HA ASP A 30 17.886 16.862 -0.884 1.00 62.01 H new ATOM 0 HB2 ASP A 30 18.087 19.434 -2.451 1.00 14.34 H new ATOM 0 HB3 ASP A 30 18.123 19.203 -0.714 1.00 14.34 H new ATOM 421 N VAL A 31 15.568 18.044 -1.378 1.00 34.32 N ATOM 422 CA VAL A 31 14.164 18.266 -1.680 1.00 12.13 C ATOM 423 C VAL A 31 13.701 19.560 -1.006 1.00 75.54 C ATOM 424 O VAL A 31 14.118 19.867 0.109 1.00 41.01 O ATOM 425 CB VAL A 31 13.339 17.047 -1.263 1.00 23.54 C ATOM 426 CG1 VAL A 31 11.844 17.303 -1.459 1.00 72.40 C ATOM 427 CG2 VAL A 31 13.786 15.796 -2.023 1.00 42.53 C ATOM 0 H VAL A 31 15.840 18.274 -0.422 1.00 34.32 H new ATOM 0 HA VAL A 31 14.019 18.388 -2.753 1.00 12.13 H new ATOM 0 HB VAL A 31 13.512 16.873 -0.201 1.00 23.54 H new ATOM 0 HG11 VAL A 31 11.281 16.421 -1.155 1.00 72.40 H new ATOM 0 HG12 VAL A 31 11.538 18.155 -0.852 1.00 72.40 H new ATOM 0 HG13 VAL A 31 11.646 17.516 -2.510 1.00 72.40 H new ATOM 0 HG21 VAL A 31 13.184 14.944 -1.708 1.00 42.53 H new ATOM 0 HG22 VAL A 31 13.657 15.955 -3.094 1.00 42.53 H new ATOM 0 HG23 VAL A 31 14.836 15.596 -1.810 1.00 42.53 H new ATOM 437 N VAL A 32 12.844 20.282 -1.713 1.00 13.45 N ATOM 438 CA VAL A 32 12.319 21.536 -1.197 1.00 61.32 C ATOM 439 C VAL A 32 10.824 21.624 -1.509 1.00 51.40 C ATOM 440 O VAL A 32 10.409 21.407 -2.647 1.00 5.44 O ATOM 441 CB VAL A 32 13.119 22.710 -1.764 1.00 52.44 C ATOM 442 CG1 VAL A 32 13.012 23.936 -0.855 1.00 41.11 C ATOM 443 CG2 VAL A 32 14.581 22.320 -1.990 1.00 0.24 C ATOM 0 H VAL A 32 12.500 20.023 -2.638 1.00 13.45 H new ATOM 0 HA VAL A 32 12.428 21.580 -0.113 1.00 61.32 H new ATOM 0 HB VAL A 32 12.690 22.972 -2.731 1.00 52.44 H new ATOM 0 HG11 VAL A 32 13.590 24.756 -1.281 1.00 41.11 H new ATOM 0 HG12 VAL A 32 11.967 24.235 -0.768 1.00 41.11 H new ATOM 0 HG13 VAL A 32 13.403 23.692 0.133 1.00 41.11 H new ATOM 0 HG21 VAL A 32 15.127 23.173 -2.393 1.00 0.24 H new ATOM 0 HG22 VAL A 32 15.028 22.018 -1.043 1.00 0.24 H new ATOM 0 HG23 VAL A 32 14.631 21.490 -2.695 1.00 0.24 H new ATOM 453 N LYS A 33 10.055 21.944 -0.478 1.00 70.34 N ATOM 454 CA LYS A 33 8.615 22.064 -0.628 1.00 73.21 C ATOM 455 C LYS A 33 8.293 23.333 -1.420 1.00 74.30 C ATOM 456 O LYS A 33 7.200 23.466 -1.968 1.00 73.24 O ATOM 457 CB LYS A 33 7.927 22.000 0.737 1.00 31.31 C ATOM 458 CG LYS A 33 8.361 23.167 1.625 1.00 5.43 C ATOM 459 CD LYS A 33 7.378 24.334 1.517 1.00 50.42 C ATOM 460 CE LYS A 33 6.120 24.071 2.347 1.00 24.52 C ATOM 461 NZ LYS A 33 5.438 25.343 2.673 1.00 22.11 N ATOM 0 H LYS A 33 10.402 22.124 0.464 1.00 70.34 H new ATOM 0 HA LYS A 33 8.220 21.223 -1.198 1.00 73.21 H new ATOM 0 HB2 LYS A 33 6.845 22.022 0.604 1.00 31.31 H new ATOM 0 HB3 LYS A 33 8.169 21.057 1.226 1.00 31.31 H new ATOM 0 HG2 LYS A 33 8.425 22.836 2.661 1.00 5.43 H new ATOM 0 HG3 LYS A 33 9.358 23.499 1.334 1.00 5.43 H new ATOM 0 HD2 LYS A 33 7.858 25.251 1.859 1.00 50.42 H new ATOM 0 HD3 LYS A 33 7.104 24.487 0.473 1.00 50.42 H new ATOM 0 HE2 LYS A 33 5.443 23.420 1.795 1.00 24.52 H new ATOM 0 HE3 LYS A 33 6.386 23.549 3.266 1.00 24.52 H new ATOM 0 HZ1 LYS A 33 4.586 25.146 3.237 1.00 22.11 H new ATOM 0 HZ2 LYS A 33 6.081 25.952 3.219 1.00 22.11 H new ATOM 0 HZ3 LYS A 33 5.167 25.827 1.793 1.00 22.11 H new ATOM 474 N GLY A 34 9.264 24.233 -1.455 1.00 22.24 N ATOM 475 CA GLY A 34 9.098 25.486 -2.170 1.00 52.43 C ATOM 476 C GLY A 34 10.208 26.476 -1.809 1.00 33.42 C ATOM 477 O GLY A 34 10.967 26.906 -2.676 1.00 11.15 O ATOM 0 H GLY A 34 10.169 24.119 -0.999 1.00 22.24 H new ATOM 0 HA2 GLY A 34 9.107 25.300 -3.244 1.00 52.43 H new ATOM 0 HA3 GLY A 34 8.127 25.920 -1.930 1.00 52.43 H new ATOM 481 N ASP A 35 10.267 26.807 -0.527 1.00 52.24 N ATOM 482 CA ASP A 35 11.271 27.738 -0.041 1.00 21.44 C ATOM 483 C ASP A 35 11.856 27.210 1.271 1.00 70.20 C ATOM 484 O ASP A 35 12.406 27.975 2.062 1.00 73.21 O ATOM 485 CB ASP A 35 10.660 29.113 0.234 1.00 45.32 C ATOM 486 CG ASP A 35 10.230 29.890 -1.012 1.00 72.22 C ATOM 487 OD1 ASP A 35 9.197 29.587 -1.628 1.00 40.21 O ATOM 488 OD2 ASP A 35 11.015 30.856 -1.351 1.00 32.02 O ATOM 0 H ASP A 35 9.636 26.447 0.189 1.00 52.24 H new ATOM 0 HA ASP A 35 12.042 27.833 -0.806 1.00 21.44 H new ATOM 0 HB2 ASP A 35 9.793 28.986 0.882 1.00 45.32 H new ATOM 0 HB3 ASP A 35 11.384 29.712 0.786 1.00 45.32 H new ATOM 494 N LYS A 36 11.718 25.906 1.461 1.00 35.01 N ATOM 495 CA LYS A 36 12.225 25.267 2.663 1.00 23.13 C ATOM 496 C LYS A 36 12.714 23.859 2.319 1.00 21.53 C ATOM 497 O LYS A 36 11.999 23.088 1.680 1.00 0.24 O ATOM 498 CB LYS A 36 11.172 25.299 3.773 1.00 61.44 C ATOM 499 CG LYS A 36 11.371 24.139 4.751 1.00 3.20 C ATOM 500 CD LYS A 36 10.476 24.300 5.981 1.00 32.12 C ATOM 501 CE LYS A 36 9.176 23.510 5.820 1.00 55.14 C ATOM 502 NZ LYS A 36 8.482 23.382 7.121 1.00 61.42 N ATOM 0 H LYS A 36 11.262 25.275 0.802 1.00 35.01 H new ATOM 0 HA LYS A 36 13.082 25.816 3.054 1.00 23.13 H new ATOM 0 HB2 LYS A 36 11.232 26.246 4.309 1.00 61.44 H new ATOM 0 HB3 LYS A 36 10.175 25.244 3.335 1.00 61.44 H new ATOM 0 HG2 LYS A 36 11.145 23.196 4.253 1.00 3.20 H new ATOM 0 HG3 LYS A 36 12.415 24.094 5.060 1.00 3.20 H new ATOM 0 HD2 LYS A 36 11.007 23.957 6.869 1.00 32.12 H new ATOM 0 HD3 LYS A 36 10.248 25.355 6.134 1.00 32.12 H new ATOM 0 HE2 LYS A 36 8.526 24.011 5.102 1.00 55.14 H new ATOM 0 HE3 LYS A 36 9.393 22.520 5.418 1.00 55.14 H new ATOM 0 HZ1 LYS A 36 7.602 22.843 6.993 1.00 61.42 H new ATOM 0 HZ2 LYS A 36 9.098 22.885 7.795 1.00 61.42 H new ATOM 0 HZ3 LYS A 36 8.258 24.328 7.490 1.00 61.42 H new ATOM 515 N LEU A 37 13.929 23.565 2.758 1.00 22.23 N ATOM 516 CA LEU A 37 14.522 22.263 2.505 1.00 70.51 C ATOM 517 C LEU A 37 13.791 21.204 3.333 1.00 13.22 C ATOM 518 O LEU A 37 13.775 21.273 4.561 1.00 3.42 O ATOM 519 CB LEU A 37 16.031 22.303 2.753 1.00 1.34 C ATOM 520 CG LEU A 37 16.823 21.085 2.274 1.00 40.24 C ATOM 521 CD1 LEU A 37 16.360 19.814 2.989 1.00 44.25 C ATOM 522 CD2 LEU A 37 16.747 20.947 0.752 1.00 63.32 C ATOM 0 H LEU A 37 14.519 24.207 3.288 1.00 22.23 H new ATOM 0 HA LEU A 37 14.402 21.988 1.457 1.00 70.51 H new ATOM 0 HB2 LEU A 37 16.436 23.189 2.265 1.00 1.34 H new ATOM 0 HB3 LEU A 37 16.200 22.423 3.823 1.00 1.34 H new ATOM 0 HG LEU A 37 17.871 21.235 2.532 1.00 40.24 H new ATOM 0 HD11 LEU A 37 16.939 18.963 2.630 1.00 44.25 H new ATOM 0 HD12 LEU A 37 16.508 19.926 4.063 1.00 44.25 H new ATOM 0 HD13 LEU A 37 15.303 19.646 2.784 1.00 44.25 H new ATOM 0 HD21 LEU A 37 17.318 20.074 0.437 1.00 63.32 H new ATOM 0 HD22 LEU A 37 15.707 20.829 0.449 1.00 63.32 H new ATOM 0 HD23 LEU A 37 17.162 21.840 0.285 1.00 63.32 H new ATOM 534 N ILE A 38 13.202 20.249 2.628 1.00 44.31 N ATOM 535 CA ILE A 38 12.471 19.178 3.283 1.00 61.13 C ATOM 536 C ILE A 38 13.464 18.157 3.843 1.00 55.11 C ATOM 537 O ILE A 38 13.701 18.114 5.049 1.00 33.11 O ATOM 538 CB ILE A 38 11.439 18.573 2.329 1.00 60.11 C ATOM 539 CG1 ILE A 38 10.476 19.644 1.812 1.00 65.24 C ATOM 540 CG2 ILE A 38 10.699 17.408 2.989 1.00 21.22 C ATOM 541 CD1 ILE A 38 9.592 20.178 2.940 1.00 22.43 C ATOM 0 H ILE A 38 13.216 20.195 1.610 1.00 44.31 H new ATOM 0 HA ILE A 38 11.902 19.566 4.128 1.00 61.13 H new ATOM 0 HB ILE A 38 11.968 18.171 1.465 1.00 60.11 H new ATOM 0 HG12 ILE A 38 11.042 20.464 1.370 1.00 65.24 H new ATOM 0 HG13 ILE A 38 9.851 19.226 1.023 1.00 65.24 H new ATOM 0 HG21 ILE A 38 9.971 16.996 2.290 1.00 21.22 H new ATOM 0 HG22 ILE A 38 11.414 16.634 3.267 1.00 21.22 H new ATOM 0 HG23 ILE A 38 10.184 17.763 3.881 1.00 21.22 H new ATOM 0 HD11 ILE A 38 8.917 20.938 2.545 1.00 22.43 H new ATOM 0 HD12 ILE A 38 9.009 19.360 3.364 1.00 22.43 H new ATOM 0 HD13 ILE A 38 10.218 20.617 3.716 1.00 22.43 H new ATOM 553 N GLU A 39 14.017 17.361 2.940 1.00 31.53 N ATOM 554 CA GLU A 39 14.978 16.343 3.329 1.00 23.23 C ATOM 555 C GLU A 39 16.223 16.422 2.443 1.00 0.12 C ATOM 556 O GLU A 39 16.347 17.328 1.620 1.00 74.30 O ATOM 557 CB GLU A 39 14.353 14.948 3.273 1.00 70.43 C ATOM 558 CG GLU A 39 14.194 14.477 1.826 1.00 75.52 C ATOM 559 CD GLU A 39 13.045 13.473 1.699 1.00 4.13 C ATOM 560 OE1 GLU A 39 12.144 13.663 0.869 1.00 43.40 O ATOM 561 OE2 GLU A 39 13.112 12.465 2.501 1.00 15.05 O ATOM 0 H GLU A 39 13.818 17.400 1.940 1.00 31.53 H new ATOM 0 HA GLU A 39 15.277 16.529 4.360 1.00 23.23 H new ATOM 0 HB2 GLU A 39 14.977 14.243 3.822 1.00 70.43 H new ATOM 0 HB3 GLU A 39 13.380 14.961 3.764 1.00 70.43 H new ATOM 0 HG2 GLU A 39 14.006 15.334 1.179 1.00 75.52 H new ATOM 0 HG3 GLU A 39 15.122 14.018 1.485 1.00 75.52 H new ATOM 569 N LYS A 40 17.114 15.462 2.642 1.00 60.10 N ATOM 570 CA LYS A 40 18.345 15.412 1.871 1.00 32.32 C ATOM 571 C LYS A 40 18.670 13.956 1.532 1.00 70.30 C ATOM 572 O LYS A 40 18.383 13.053 2.317 1.00 64.13 O ATOM 573 CB LYS A 40 19.470 16.137 2.611 1.00 24.03 C ATOM 574 CG LYS A 40 20.409 16.840 1.629 1.00 53.45 C ATOM 575 CD LYS A 40 21.622 17.427 2.353 1.00 13.31 C ATOM 576 CE LYS A 40 21.211 18.064 3.683 1.00 62.35 C ATOM 577 NZ LYS A 40 22.396 18.600 4.388 1.00 4.41 N ATOM 0 H LYS A 40 17.008 14.713 3.326 1.00 60.10 H new ATOM 0 HA LYS A 40 18.224 15.941 0.925 1.00 32.32 H new ATOM 0 HB2 LYS A 40 19.045 16.867 3.300 1.00 24.03 H new ATOM 0 HB3 LYS A 40 20.034 15.423 3.211 1.00 24.03 H new ATOM 0 HG2 LYS A 40 20.742 16.133 0.869 1.00 53.45 H new ATOM 0 HG3 LYS A 40 19.871 17.634 1.111 1.00 53.45 H new ATOM 0 HD2 LYS A 40 22.357 16.643 2.533 1.00 13.31 H new ATOM 0 HD3 LYS A 40 22.101 18.174 1.720 1.00 13.31 H new ATOM 0 HE2 LYS A 40 20.494 18.865 3.503 1.00 62.35 H new ATOM 0 HE3 LYS A 40 20.712 17.324 4.309 1.00 62.35 H new ATOM 0 HZ1 LYS A 40 22.100 19.029 5.288 1.00 4.41 H new ATOM 0 HZ2 LYS A 40 23.067 17.828 4.576 1.00 4.41 H new ATOM 0 HZ3 LYS A 40 22.856 19.321 3.796 1.00 4.41 H new ATOM 590 N LEU A 41 19.264 13.773 0.362 1.00 60.40 N ATOM 591 CA LEU A 41 19.631 12.442 -0.091 1.00 23.43 C ATOM 592 C LEU A 41 21.027 12.487 -0.716 1.00 52.43 C ATOM 593 O LEU A 41 21.562 13.565 -0.970 1.00 4.45 O ATOM 594 CB LEU A 41 18.558 11.878 -1.023 1.00 75.44 C ATOM 595 CG LEU A 41 17.127 12.358 -0.768 1.00 25.13 C ATOM 596 CD1 LEU A 41 16.285 12.274 -2.042 1.00 10.11 C ATOM 597 CD2 LEU A 41 16.490 11.590 0.392 1.00 4.02 C ATOM 0 H LEU A 41 19.500 14.524 -0.286 1.00 60.40 H new ATOM 0 HA LEU A 41 19.681 11.753 0.752 1.00 23.43 H new ATOM 0 HB2 LEU A 41 18.827 12.130 -2.049 1.00 75.44 H new ATOM 0 HB3 LEU A 41 18.574 10.791 -0.947 1.00 75.44 H new ATOM 0 HG LEU A 41 17.166 13.408 -0.477 1.00 25.13 H new ATOM 0 HD11 LEU A 41 15.273 12.621 -1.833 1.00 10.11 H new ATOM 0 HD12 LEU A 41 16.731 12.900 -2.815 1.00 10.11 H new ATOM 0 HD13 LEU A 41 16.250 11.241 -2.388 1.00 10.11 H new ATOM 0 HD21 LEU A 41 15.474 11.950 0.552 1.00 4.02 H new ATOM 0 HD22 LEU A 41 16.465 10.527 0.154 1.00 4.02 H new ATOM 0 HD23 LEU A 41 17.077 11.745 1.297 1.00 4.02 H new ATOM 609 N ILE A 42 21.576 11.304 -0.947 1.00 51.05 N ATOM 610 CA ILE A 42 22.899 11.195 -1.539 1.00 12.44 C ATOM 611 C ILE A 42 22.772 10.667 -2.969 1.00 12.11 C ATOM 612 O ILE A 42 21.863 9.895 -3.271 1.00 25.43 O ATOM 613 CB ILE A 42 23.815 10.351 -0.650 1.00 51.33 C ATOM 614 CG1 ILE A 42 24.207 11.116 0.616 1.00 65.33 C ATOM 615 CG2 ILE A 42 25.039 9.866 -1.430 1.00 31.15 C ATOM 616 CD1 ILE A 42 22.968 11.575 1.386 1.00 74.53 C ATOM 0 H ILE A 42 21.129 10.412 -0.735 1.00 51.05 H new ATOM 0 HA ILE A 42 23.370 12.176 -1.603 1.00 12.44 H new ATOM 0 HB ILE A 42 23.264 9.466 -0.333 1.00 51.33 H new ATOM 0 HG12 ILE A 42 24.821 10.480 1.254 1.00 65.33 H new ATOM 0 HG13 ILE A 42 24.814 11.981 0.349 1.00 65.33 H new ATOM 0 HG21 ILE A 42 25.674 9.269 -0.776 1.00 31.15 H new ATOM 0 HG22 ILE A 42 24.715 9.258 -2.275 1.00 31.15 H new ATOM 0 HG23 ILE A 42 25.601 10.725 -1.796 1.00 31.15 H new ATOM 0 HD11 ILE A 42 23.275 12.116 2.281 1.00 74.53 H new ATOM 0 HD12 ILE A 42 22.369 12.230 0.754 1.00 74.53 H new ATOM 0 HD13 ILE A 42 22.375 10.706 1.673 1.00 74.53 H new ATOM 628 N ILE A 43 23.696 11.105 -3.812 1.00 32.25 N ATOM 629 CA ILE A 43 23.699 10.686 -5.203 1.00 34.32 C ATOM 630 C ILE A 43 25.139 10.429 -5.651 1.00 32.54 C ATOM 631 O ILE A 43 25.410 10.313 -6.845 1.00 21.43 O ATOM 632 CB ILE A 43 22.957 11.705 -6.071 1.00 23.42 C ATOM 633 CG1 ILE A 43 23.462 13.124 -5.802 1.00 34.11 C ATOM 634 CG2 ILE A 43 21.444 11.588 -5.881 1.00 14.41 C ATOM 635 CD1 ILE A 43 24.372 13.606 -6.933 1.00 53.03 C ATOM 0 H ILE A 43 24.448 11.746 -3.558 1.00 32.25 H new ATOM 0 HA ILE A 43 23.157 9.748 -5.319 1.00 34.32 H new ATOM 0 HB ILE A 43 23.167 11.482 -7.117 1.00 23.42 H new ATOM 0 HG12 ILE A 43 22.615 13.802 -5.698 1.00 34.11 H new ATOM 0 HG13 ILE A 43 24.006 13.147 -4.858 1.00 34.11 H new ATOM 0 HG21 ILE A 43 20.941 12.323 -6.509 1.00 14.41 H new ATOM 0 HG22 ILE A 43 21.118 10.587 -6.162 1.00 14.41 H new ATOM 0 HG23 ILE A 43 21.193 11.771 -4.836 1.00 14.41 H new ATOM 0 HD11 ILE A 43 24.717 14.617 -6.717 1.00 53.03 H new ATOM 0 HD12 ILE A 43 25.231 12.940 -7.018 1.00 53.03 H new ATOM 0 HD13 ILE A 43 23.818 13.605 -7.872 1.00 53.03 H new ATOM 647 N ASP A 44 26.024 10.347 -4.668 1.00 63.15 N ATOM 648 CA ASP A 44 27.430 10.106 -4.946 1.00 60.54 C ATOM 649 C ASP A 44 27.791 8.679 -4.526 1.00 0.52 C ATOM 650 O ASP A 44 28.747 8.472 -3.781 1.00 23.44 O ATOM 651 CB ASP A 44 28.320 11.070 -4.160 1.00 63.03 C ATOM 652 CG ASP A 44 28.145 11.019 -2.641 1.00 44.12 C ATOM 653 OD1 ASP A 44 28.445 11.990 -1.931 1.00 14.51 O ATOM 654 OD2 ASP A 44 27.674 9.909 -2.184 1.00 32.14 O ATOM 0 H ASP A 44 25.795 10.443 -3.679 1.00 63.15 H new ATOM 0 HA ASP A 44 27.593 10.254 -6.013 1.00 60.54 H new ATOM 0 HB2 ASP A 44 29.362 10.855 -4.398 1.00 63.03 H new ATOM 0 HB3 ASP A 44 28.119 12.086 -4.500 1.00 63.03 H new ATOM 660 N GLU A 45 27.007 7.734 -5.022 1.00 34.14 N ATOM 661 CA GLU A 45 27.232 6.333 -4.707 1.00 14.44 C ATOM 662 C GLU A 45 27.061 5.473 -5.960 1.00 41.34 C ATOM 663 O GLU A 45 27.881 4.598 -6.233 1.00 43.35 O ATOM 664 CB GLU A 45 26.297 5.866 -3.590 1.00 33.45 C ATOM 665 CG GLU A 45 25.961 7.016 -2.638 1.00 74.21 C ATOM 666 CD GLU A 45 25.622 6.491 -1.242 1.00 34.25 C ATOM 667 OE1 GLU A 45 26.503 5.963 -0.547 1.00 12.43 O ATOM 668 OE2 GLU A 45 24.392 6.648 -0.884 1.00 21.52 O ATOM 0 H GLU A 45 26.215 7.910 -5.640 1.00 34.14 H new ATOM 0 HA GLU A 45 28.256 6.221 -4.350 1.00 14.44 H new ATOM 0 HB2 GLU A 45 25.379 5.467 -4.022 1.00 33.45 H new ATOM 0 HB3 GLU A 45 26.766 5.054 -3.034 1.00 33.45 H new ATOM 0 HG2 GLU A 45 26.806 7.701 -2.577 1.00 74.21 H new ATOM 0 HG3 GLU A 45 25.118 7.584 -3.031 1.00 74.21 H new ATOM 676 N LYS A 46 25.990 5.752 -6.689 1.00 45.14 N ATOM 677 CA LYS A 46 25.702 5.015 -7.908 1.00 31.22 C ATOM 678 C LYS A 46 25.802 5.960 -9.107 1.00 0.13 C ATOM 679 O LYS A 46 26.249 7.098 -8.969 1.00 71.20 O ATOM 680 CB LYS A 46 24.352 4.303 -7.797 1.00 11.44 C ATOM 681 CG LYS A 46 23.304 5.213 -7.152 1.00 2.32 C ATOM 682 CD LYS A 46 23.025 6.435 -8.029 1.00 54.13 C ATOM 683 CE LYS A 46 23.588 7.707 -7.393 1.00 51.41 C ATOM 684 NZ LYS A 46 22.815 8.891 -7.830 1.00 50.44 N ATOM 0 H LYS A 46 25.311 6.478 -6.459 1.00 45.14 H new ATOM 0 HA LYS A 46 26.440 4.228 -8.060 1.00 31.22 H new ATOM 0 HB2 LYS A 46 24.015 3.999 -8.788 1.00 11.44 H new ATOM 0 HB3 LYS A 46 24.464 3.394 -7.205 1.00 11.44 H new ATOM 0 HG2 LYS A 46 22.381 4.656 -6.994 1.00 2.32 H new ATOM 0 HG3 LYS A 46 23.652 5.537 -6.171 1.00 2.32 H new ATOM 0 HD2 LYS A 46 23.469 6.289 -9.014 1.00 54.13 H new ATOM 0 HD3 LYS A 46 21.951 6.543 -8.177 1.00 54.13 H new ATOM 0 HE2 LYS A 46 23.553 7.623 -6.307 1.00 51.41 H new ATOM 0 HE3 LYS A 46 24.635 7.826 -7.670 1.00 51.41 H new ATOM 0 HZ1 LYS A 46 23.456 9.702 -7.941 1.00 50.44 H new ATOM 0 HZ2 LYS A 46 22.353 8.688 -8.739 1.00 50.44 H new ATOM 0 HZ3 LYS A 46 22.092 9.116 -7.117 1.00 50.44 H new ATOM 697 N LYS A 47 25.379 5.454 -10.256 1.00 15.14 N ATOM 698 CA LYS A 47 25.415 6.239 -11.478 1.00 11.22 C ATOM 699 C LYS A 47 23.993 6.395 -12.021 1.00 61.22 C ATOM 700 O LYS A 47 23.775 7.095 -13.009 1.00 25.11 O ATOM 701 CB LYS A 47 26.393 5.624 -12.481 1.00 32.02 C ATOM 702 CG LYS A 47 25.658 4.742 -13.493 1.00 1.23 C ATOM 703 CD LYS A 47 25.149 3.459 -12.833 1.00 73.15 C ATOM 704 CE LYS A 47 26.305 2.650 -12.242 1.00 51.11 C ATOM 705 NZ LYS A 47 25.895 1.245 -12.020 1.00 54.51 N ATOM 0 H LYS A 47 25.009 4.510 -10.366 1.00 15.14 H new ATOM 0 HA LYS A 47 25.791 7.242 -11.276 1.00 11.22 H new ATOM 0 HB2 LYS A 47 26.928 6.416 -13.005 1.00 32.02 H new ATOM 0 HB3 LYS A 47 27.139 5.032 -11.951 1.00 32.02 H new ATOM 0 HG2 LYS A 47 24.820 5.293 -13.920 1.00 1.23 H new ATOM 0 HG3 LYS A 47 26.327 4.491 -14.316 1.00 1.23 H new ATOM 0 HD2 LYS A 47 24.436 3.708 -12.047 1.00 73.15 H new ATOM 0 HD3 LYS A 47 24.616 2.855 -13.567 1.00 73.15 H new ATOM 0 HE2 LYS A 47 27.161 2.683 -12.916 1.00 51.11 H new ATOM 0 HE3 LYS A 47 26.624 3.095 -11.299 1.00 51.11 H new ATOM 0 HZ1 LYS A 47 26.692 0.710 -11.619 1.00 54.51 H new ATOM 0 HZ2 LYS A 47 25.092 1.218 -11.360 1.00 54.51 H new ATOM 0 HZ3 LYS A 47 25.613 0.818 -12.926 1.00 54.51 H new ATOM 718 N TYR A 48 23.062 5.730 -11.352 1.00 42.44 N ATOM 719 CA TYR A 48 21.667 5.786 -11.756 1.00 4.11 C ATOM 720 C TYR A 48 20.754 5.266 -10.644 1.00 72.44 C ATOM 721 O TYR A 48 20.922 4.142 -10.173 1.00 72.01 O ATOM 722 CB TYR A 48 21.544 4.868 -12.973 1.00 73.24 C ATOM 723 CG TYR A 48 20.926 3.503 -12.663 1.00 53.11 C ATOM 724 CD1 TYR A 48 19.595 3.413 -12.308 1.00 71.33 C ATOM 725 CD2 TYR A 48 21.699 2.362 -12.738 1.00 12.41 C ATOM 726 CE1 TYR A 48 19.013 2.128 -12.016 1.00 42.22 C ATOM 727 CE2 TYR A 48 21.117 1.078 -12.446 1.00 21.12 C ATOM 728 CZ TYR A 48 19.803 1.024 -12.099 1.00 50.25 C ATOM 729 OH TYR A 48 19.254 -0.189 -11.824 1.00 14.14 O ATOM 0 H TYR A 48 23.246 5.150 -10.533 1.00 42.44 H new ATOM 0 HA TYR A 48 21.371 6.812 -11.975 1.00 4.11 H new ATOM 0 HB2 TYR A 48 20.939 5.366 -13.731 1.00 73.24 H new ATOM 0 HB3 TYR A 48 22.534 4.718 -13.404 1.00 73.24 H new ATOM 0 HD1 TYR A 48 18.990 4.306 -12.249 1.00 71.33 H new ATOM 0 HD2 TYR A 48 22.740 2.432 -13.016 1.00 12.41 H new ATOM 0 HE1 TYR A 48 17.973 2.043 -11.738 1.00 42.22 H new ATOM 0 HE2 TYR A 48 21.711 0.178 -12.501 1.00 21.12 H new ATOM 0 HH TYR A 48 19.935 -0.887 -11.925 1.00 14.14 H new ATOM 739 N TYR A 49 19.807 6.108 -10.258 1.00 32.32 N ATOM 740 CA TYR A 49 18.866 5.747 -9.211 1.00 24.34 C ATOM 741 C TYR A 49 17.430 5.749 -9.739 1.00 23.24 C ATOM 742 O TYR A 49 17.210 5.793 -10.948 1.00 12.51 O ATOM 743 CB TYR A 49 19.002 6.824 -8.132 1.00 62.43 C ATOM 744 CG TYR A 49 19.891 6.417 -6.955 1.00 71.03 C ATOM 745 CD1 TYR A 49 19.860 5.121 -6.483 1.00 20.53 C ATOM 746 CD2 TYR A 49 20.724 7.346 -6.366 1.00 14.51 C ATOM 747 CE1 TYR A 49 20.697 4.738 -5.375 1.00 35.21 C ATOM 748 CE2 TYR A 49 21.560 6.964 -5.258 1.00 61.31 C ATOM 749 CZ TYR A 49 21.505 5.678 -4.817 1.00 43.33 C ATOM 750 OH TYR A 49 22.295 5.317 -3.771 1.00 24.20 O ATOM 0 H TYR A 49 19.671 7.039 -10.651 1.00 32.32 H new ATOM 0 HA TYR A 49 19.078 4.747 -8.833 1.00 24.34 H new ATOM 0 HB2 TYR A 49 19.408 7.728 -8.585 1.00 62.43 H new ATOM 0 HB3 TYR A 49 18.010 7.074 -7.755 1.00 62.43 H new ATOM 0 HD1 TYR A 49 19.208 4.394 -6.944 1.00 20.53 H new ATOM 0 HD2 TYR A 49 20.749 8.360 -6.736 1.00 14.51 H new ATOM 0 HE1 TYR A 49 20.683 3.727 -4.996 1.00 35.21 H new ATOM 0 HE2 TYR A 49 22.216 7.682 -4.788 1.00 61.31 H new ATOM 0 HH TYR A 49 22.819 6.090 -3.475 1.00 24.20 H new ATOM 760 N LEU A 50 16.491 5.700 -8.806 1.00 33.22 N ATOM 761 CA LEU A 50 15.082 5.696 -9.162 1.00 30.50 C ATOM 762 C LEU A 50 14.349 6.758 -8.340 1.00 44.25 C ATOM 763 O LEU A 50 14.940 7.386 -7.463 1.00 43.45 O ATOM 764 CB LEU A 50 14.496 4.290 -9.012 1.00 52.23 C ATOM 765 CG LEU A 50 15.019 3.237 -9.991 1.00 42.33 C ATOM 766 CD1 LEU A 50 16.079 2.353 -9.331 1.00 1.51 C ATOM 767 CD2 LEU A 50 13.870 2.414 -10.577 1.00 43.11 C ATOM 0 H LEU A 50 16.678 5.663 -7.804 1.00 33.22 H new ATOM 0 HA LEU A 50 14.954 5.960 -10.212 1.00 30.50 H new ATOM 0 HB2 LEU A 50 14.691 3.943 -7.997 1.00 52.23 H new ATOM 0 HB3 LEU A 50 13.414 4.355 -9.124 1.00 52.23 H new ATOM 0 HG LEU A 50 15.501 3.753 -10.821 1.00 42.33 H new ATOM 0 HD11 LEU A 50 16.434 1.613 -10.049 1.00 1.51 H new ATOM 0 HD12 LEU A 50 16.915 2.971 -9.003 1.00 1.51 H new ATOM 0 HD13 LEU A 50 15.644 1.844 -8.471 1.00 1.51 H new ATOM 0 HD21 LEU A 50 14.269 1.673 -11.270 1.00 43.11 H new ATOM 0 HD22 LEU A 50 13.337 1.908 -9.772 1.00 43.11 H new ATOM 0 HD23 LEU A 50 13.184 3.074 -11.108 1.00 43.11 H new ATOM 779 N PHE A 51 13.073 6.927 -8.654 1.00 21.43 N ATOM 780 CA PHE A 51 12.254 7.902 -7.955 1.00 54.44 C ATOM 781 C PHE A 51 10.765 7.631 -8.182 1.00 50.24 C ATOM 782 O PHE A 51 10.249 7.858 -9.275 1.00 74.05 O ATOM 783 CB PHE A 51 12.603 9.275 -8.533 1.00 5.42 C ATOM 784 CG PHE A 51 13.608 10.067 -7.692 1.00 35.51 C ATOM 785 CD1 PHE A 51 13.234 10.576 -6.487 1.00 73.24 C ATOM 786 CD2 PHE A 51 14.874 10.261 -8.149 1.00 34.52 C ATOM 787 CE1 PHE A 51 14.165 11.310 -5.707 1.00 44.11 C ATOM 788 CE2 PHE A 51 15.805 10.995 -7.368 1.00 64.14 C ATOM 789 CZ PHE A 51 15.432 11.504 -6.164 1.00 54.20 C ATOM 0 H PHE A 51 12.586 6.405 -9.383 1.00 21.43 H new ATOM 0 HA PHE A 51 12.447 7.850 -6.883 1.00 54.44 H new ATOM 0 HB2 PHE A 51 13.008 9.143 -9.536 1.00 5.42 H new ATOM 0 HB3 PHE A 51 11.688 9.859 -8.633 1.00 5.42 H new ATOM 0 HD1 PHE A 51 12.229 10.421 -6.124 1.00 73.24 H new ATOM 0 HD2 PHE A 51 15.171 9.857 -9.106 1.00 34.52 H new ATOM 0 HE1 PHE A 51 13.868 11.715 -4.751 1.00 44.11 H new ATOM 0 HE2 PHE A 51 16.811 11.149 -7.731 1.00 64.14 H new ATOM 0 HZ PHE A 51 16.141 12.062 -5.570 1.00 54.20 H new ATOM 799 N GLY A 52 10.117 7.150 -7.132 1.00 21.52 N ATOM 800 CA GLY A 52 8.698 6.845 -7.203 1.00 21.03 C ATOM 801 C GLY A 52 8.082 6.774 -5.804 1.00 52.51 C ATOM 802 O GLY A 52 7.761 7.803 -5.210 1.00 44.05 O ATOM 0 H GLY A 52 10.548 6.964 -6.227 1.00 21.52 H new ATOM 0 HA2 GLY A 52 8.187 7.608 -7.791 1.00 21.03 H new ATOM 0 HA3 GLY A 52 8.552 5.895 -7.717 1.00 21.03 H new ATOM 806 N ARG A 53 7.934 5.551 -5.318 1.00 65.32 N ATOM 807 CA ARG A 53 7.362 5.333 -4.000 1.00 63.44 C ATOM 808 C ARG A 53 7.746 3.947 -3.478 1.00 72.41 C ATOM 809 O ARG A 53 8.071 3.791 -2.302 1.00 71.41 O ATOM 810 CB ARG A 53 5.838 5.453 -4.035 1.00 55.03 C ATOM 811 CG ARG A 53 5.364 6.043 -5.365 1.00 64.14 C ATOM 812 CD ARG A 53 3.837 6.027 -5.460 1.00 3.32 C ATOM 813 NE ARG A 53 3.345 4.632 -5.463 1.00 34.20 N ATOM 814 CZ ARG A 53 2.140 4.256 -5.942 1.00 71.41 C ATOM 815 NH1 ARG A 53 1.293 5.170 -6.462 1.00 23.32 N ATOM 816 NH2 ARG A 53 1.802 2.980 -5.895 1.00 1.42 N ATOM 0 H ARG A 53 8.200 4.700 -5.813 1.00 65.32 H new ATOM 0 HA ARG A 53 7.760 6.099 -3.334 1.00 63.44 H new ATOM 0 HB2 ARG A 53 5.389 4.471 -3.888 1.00 55.03 H new ATOM 0 HB3 ARG A 53 5.500 6.084 -3.213 1.00 55.03 H new ATOM 0 HG2 ARG A 53 5.727 7.066 -5.463 1.00 64.14 H new ATOM 0 HG3 ARG A 53 5.789 5.473 -6.191 1.00 64.14 H new ATOM 0 HD2 ARG A 53 3.406 6.571 -4.620 1.00 3.32 H new ATOM 0 HD3 ARG A 53 3.516 6.537 -6.368 1.00 3.32 H new ATOM 0 HE ARG A 53 3.954 3.909 -5.079 1.00 34.20 H new ATOM 0 HH11 ARG A 53 1.562 6.153 -6.495 1.00 23.32 H new ATOM 0 HH12 ARG A 53 0.385 4.877 -6.822 1.00 23.32 H new ATOM 0 HH21 ARG A 53 2.448 2.296 -5.501 1.00 1.42 H new ATOM 0 HH22 ARG A 53 0.895 2.679 -6.253 1.00 1.42 H new ATOM 829 N ASN A 54 7.695 2.975 -4.378 1.00 0.32 N ATOM 830 CA ASN A 54 8.033 1.608 -4.022 1.00 70.54 C ATOM 831 C ASN A 54 9.554 1.440 -4.047 1.00 75.44 C ATOM 832 O ASN A 54 10.168 1.477 -5.112 1.00 24.20 O ATOM 833 CB ASN A 54 7.431 0.615 -5.019 1.00 23.21 C ATOM 834 CG ASN A 54 6.600 -0.449 -4.299 1.00 62.11 C ATOM 835 OD1 ASN A 54 5.435 -0.664 -4.588 1.00 74.24 O ATOM 836 ND2 ASN A 54 7.263 -1.101 -3.348 1.00 14.35 N ATOM 0 H ASN A 54 7.425 3.108 -5.353 1.00 0.32 H new ATOM 0 HA ASN A 54 7.632 1.409 -3.028 1.00 70.54 H new ATOM 0 HB2 ASN A 54 6.805 1.147 -5.735 1.00 23.21 H new ATOM 0 HB3 ASN A 54 8.228 0.136 -5.587 1.00 23.21 H new ATOM 0 HD21 ASN A 54 6.796 -1.831 -2.810 1.00 14.35 H new ATOM 0 HD22 ASN A 54 8.238 -0.871 -3.157 1.00 14.35 H new ATOM 843 N PRO A 55 10.131 1.253 -2.830 1.00 43.53 N ATOM 844 CA PRO A 55 11.568 1.080 -2.703 1.00 22.33 C ATOM 845 C PRO A 55 11.994 -0.318 -3.157 1.00 40.11 C ATOM 846 O PRO A 55 13.157 -0.539 -3.490 1.00 44.30 O ATOM 847 CB PRO A 55 11.868 1.345 -1.236 1.00 72.53 C ATOM 848 CG PRO A 55 10.542 1.199 -0.507 1.00 51.41 C ATOM 849 CD PRO A 55 9.435 1.204 -1.548 1.00 74.23 C ATOM 0 HA PRO A 55 12.132 1.761 -3.341 1.00 22.33 H new ATOM 0 HB2 PRO A 55 12.604 0.638 -0.854 1.00 72.53 H new ATOM 0 HB3 PRO A 55 12.283 2.343 -1.096 1.00 72.53 H new ATOM 0 HG2 PRO A 55 10.522 0.273 0.067 1.00 51.41 H new ATOM 0 HG3 PRO A 55 10.404 2.016 0.201 1.00 51.41 H new ATOM 0 HD2 PRO A 55 8.813 0.312 -1.469 1.00 74.23 H new ATOM 0 HD3 PRO A 55 8.777 2.064 -1.422 1.00 74.23 H new ATOM 857 N ASP A 56 11.029 -1.225 -3.156 1.00 74.34 N ATOM 858 CA ASP A 56 11.289 -2.595 -3.565 1.00 32.34 C ATOM 859 C ASP A 56 11.813 -2.604 -5.002 1.00 51.20 C ATOM 860 O ASP A 56 12.373 -3.600 -5.456 1.00 70.24 O ATOM 861 CB ASP A 56 10.010 -3.435 -3.523 1.00 5.25 C ATOM 862 CG ASP A 56 10.167 -4.876 -4.013 1.00 13.25 C ATOM 863 OD1 ASP A 56 10.538 -5.120 -5.170 1.00 43.00 O ATOM 864 OD2 ASP A 56 9.885 -5.782 -3.139 1.00 24.22 O ATOM 0 H ASP A 56 10.065 -1.038 -2.878 1.00 74.34 H new ATOM 0 HA ASP A 56 12.021 -3.018 -2.878 1.00 32.34 H new ATOM 0 HB2 ASP A 56 9.639 -3.454 -2.498 1.00 5.25 H new ATOM 0 HB3 ASP A 56 9.249 -2.942 -4.128 1.00 5.25 H new ATOM 870 N LEU A 57 11.612 -1.482 -5.678 1.00 5.13 N ATOM 871 CA LEU A 57 12.058 -1.348 -7.054 1.00 51.43 C ATOM 872 C LEU A 57 12.983 -0.134 -7.170 1.00 75.14 C ATOM 873 O LEU A 57 14.062 -0.226 -7.752 1.00 44.43 O ATOM 874 CB LEU A 57 10.859 -1.300 -8.003 1.00 54.02 C ATOM 875 CG LEU A 57 9.536 -1.822 -7.439 1.00 14.22 C ATOM 876 CD1 LEU A 57 8.360 -1.410 -8.327 1.00 42.12 C ATOM 877 CD2 LEU A 57 9.590 -3.336 -7.225 1.00 52.14 C ATOM 0 H LEU A 57 11.146 -0.658 -5.298 1.00 5.13 H new ATOM 0 HA LEU A 57 12.638 -2.221 -7.353 1.00 51.43 H new ATOM 0 HB2 LEU A 57 10.713 -0.268 -8.321 1.00 54.02 H new ATOM 0 HB3 LEU A 57 11.104 -1.877 -8.895 1.00 54.02 H new ATOM 0 HG LEU A 57 9.377 -1.364 -6.462 1.00 14.22 H new ATOM 0 HD11 LEU A 57 7.432 -1.794 -7.903 1.00 42.12 H new ATOM 0 HD12 LEU A 57 8.310 -0.323 -8.384 1.00 42.12 H new ATOM 0 HD13 LEU A 57 8.499 -1.820 -9.328 1.00 42.12 H new ATOM 0 HD21 LEU A 57 8.637 -3.681 -6.824 1.00 52.14 H new ATOM 0 HD22 LEU A 57 9.784 -3.831 -8.176 1.00 52.14 H new ATOM 0 HD23 LEU A 57 10.388 -3.576 -6.522 1.00 52.14 H new ATOM 889 N CYS A 58 12.525 0.974 -6.607 1.00 50.44 N ATOM 890 CA CYS A 58 13.298 2.205 -6.641 1.00 34.45 C ATOM 891 C CYS A 58 14.182 2.250 -5.393 1.00 63.01 C ATOM 892 O CYS A 58 14.003 1.455 -4.471 1.00 51.54 O ATOM 893 CB CYS A 58 12.396 3.436 -6.746 1.00 10.21 C ATOM 894 SG CYS A 58 11.299 3.286 -8.203 1.00 45.23 S ATOM 0 H CYS A 58 11.629 1.046 -6.125 1.00 50.44 H new ATOM 0 HA CYS A 58 13.926 2.219 -7.532 1.00 34.45 H new ATOM 0 HB2 CYS A 58 11.799 3.538 -5.840 1.00 10.21 H new ATOM 0 HB3 CYS A 58 13.004 4.337 -6.830 1.00 10.21 H new ATOM 0 HG CYS A 58 10.118 3.741 -7.906 1.00 45.23 H new ATOM 900 N ASP A 59 15.118 3.188 -5.404 1.00 62.41 N ATOM 901 CA ASP A 59 16.031 3.347 -4.285 1.00 62.00 C ATOM 902 C ASP A 59 15.478 4.405 -3.328 1.00 21.32 C ATOM 903 O ASP A 59 15.680 4.318 -2.118 1.00 32.15 O ATOM 904 CB ASP A 59 17.409 3.813 -4.760 1.00 53.31 C ATOM 905 CG ASP A 59 18.534 2.792 -4.583 1.00 72.44 C ATOM 906 OD1 ASP A 59 19.048 2.594 -3.473 1.00 20.34 O ATOM 907 OD2 ASP A 59 18.886 2.176 -5.661 1.00 54.22 O ATOM 0 H ASP A 59 15.264 3.845 -6.170 1.00 62.41 H new ATOM 0 HA ASP A 59 16.128 2.381 -3.789 1.00 62.00 H new ATOM 0 HB2 ASP A 59 17.342 4.078 -5.815 1.00 53.31 H new ATOM 0 HB3 ASP A 59 17.675 4.721 -4.219 1.00 53.31 H new ATOM 913 N PHE A 60 14.792 5.379 -3.906 1.00 54.13 N ATOM 914 CA PHE A 60 14.208 6.452 -3.120 1.00 0.43 C ATOM 915 C PHE A 60 12.683 6.338 -3.083 1.00 13.15 C ATOM 916 O PHE A 60 12.122 5.330 -3.510 1.00 14.41 O ATOM 917 CB PHE A 60 14.593 7.767 -3.802 1.00 34.22 C ATOM 918 CG PHE A 60 15.985 8.278 -3.427 1.00 63.14 C ATOM 919 CD1 PHE A 60 16.861 7.458 -2.788 1.00 24.43 C ATOM 920 CD2 PHE A 60 16.347 9.552 -3.734 1.00 42.43 C ATOM 921 CE1 PHE A 60 18.154 7.932 -2.440 1.00 71.12 C ATOM 922 CE2 PHE A 60 17.640 10.027 -3.387 1.00 33.22 C ATOM 923 CZ PHE A 60 18.516 9.206 -2.747 1.00 52.50 C ATOM 0 H PHE A 60 14.627 5.448 -4.910 1.00 54.13 H new ATOM 0 HA PHE A 60 14.574 6.403 -2.094 1.00 0.43 H new ATOM 0 HB2 PHE A 60 14.546 7.631 -4.883 1.00 34.22 H new ATOM 0 HB3 PHE A 60 13.856 8.528 -3.544 1.00 34.22 H new ATOM 0 HD1 PHE A 60 16.574 6.446 -2.545 1.00 24.43 H new ATOM 0 HD2 PHE A 60 15.651 10.203 -4.242 1.00 42.43 H new ATOM 0 HE1 PHE A 60 18.849 7.281 -1.932 1.00 71.12 H new ATOM 0 HE2 PHE A 60 17.927 11.039 -3.631 1.00 33.22 H new ATOM 0 HZ PHE A 60 19.499 9.566 -2.483 1.00 52.50 H new ATOM 933 N THR A 61 12.055 7.385 -2.567 1.00 41.15 N ATOM 934 CA THR A 61 10.606 7.415 -2.469 1.00 33.11 C ATOM 935 C THR A 61 10.101 8.859 -2.466 1.00 0.20 C ATOM 936 O THR A 61 10.456 9.643 -1.587 1.00 22.11 O ATOM 937 CB THR A 61 10.200 6.627 -1.222 1.00 4.03 C ATOM 938 OG1 THR A 61 11.226 6.921 -0.277 1.00 32.01 O ATOM 939 CG2 THR A 61 10.304 5.114 -1.425 1.00 40.14 C ATOM 0 H THR A 61 12.524 8.219 -2.212 1.00 41.15 H new ATOM 0 HA THR A 61 10.142 6.943 -3.335 1.00 33.11 H new ATOM 0 HB THR A 61 9.178 6.887 -0.946 1.00 4.03 H new ATOM 0 HG1 THR A 61 11.041 6.452 0.563 1.00 32.01 H new ATOM 0 HG21 THR A 61 10.005 4.603 -0.510 1.00 40.14 H new ATOM 0 HG22 THR A 61 9.649 4.811 -2.241 1.00 40.14 H new ATOM 0 HG23 THR A 61 11.333 4.849 -1.668 1.00 40.14 H new ATOM 947 N ILE A 62 9.281 9.168 -3.459 1.00 74.45 N ATOM 948 CA ILE A 62 8.723 10.504 -3.583 1.00 24.14 C ATOM 949 C ILE A 62 7.775 10.766 -2.411 1.00 53.12 C ATOM 950 O ILE A 62 7.681 11.892 -1.924 1.00 31.53 O ATOM 951 CB ILE A 62 8.072 10.688 -4.955 1.00 10.54 C ATOM 952 CG1 ILE A 62 9.021 10.257 -6.075 1.00 31.14 C ATOM 953 CG2 ILE A 62 7.583 12.126 -5.140 1.00 55.22 C ATOM 954 CD1 ILE A 62 8.394 10.501 -7.449 1.00 2.42 C ATOM 0 H ILE A 62 8.989 8.515 -4.186 1.00 74.45 H new ATOM 0 HA ILE A 62 9.512 11.254 -3.529 1.00 24.14 H new ATOM 0 HB ILE A 62 7.197 10.040 -5.008 1.00 10.54 H new ATOM 0 HG12 ILE A 62 9.958 10.809 -5.995 1.00 31.14 H new ATOM 0 HG13 ILE A 62 9.264 9.200 -5.964 1.00 31.14 H new ATOM 0 HG21 ILE A 62 7.124 12.231 -6.123 1.00 55.22 H new ATOM 0 HG22 ILE A 62 6.849 12.363 -4.370 1.00 55.22 H new ATOM 0 HG23 ILE A 62 8.427 12.811 -5.059 1.00 55.22 H new ATOM 0 HD11 ILE A 62 9.089 10.186 -8.227 1.00 2.42 H new ATOM 0 HD12 ILE A 62 7.470 9.929 -7.534 1.00 2.42 H new ATOM 0 HD13 ILE A 62 8.175 11.562 -7.566 1.00 2.42 H new ATOM 966 N ASP A 63 7.095 9.708 -1.993 1.00 43.22 N ATOM 967 CA ASP A 63 6.157 9.810 -0.888 1.00 63.12 C ATOM 968 C ASP A 63 4.901 10.547 -1.357 1.00 62.33 C ATOM 969 O ASP A 63 4.484 11.525 -0.740 1.00 11.05 O ATOM 970 CB ASP A 63 6.761 10.598 0.276 1.00 51.32 C ATOM 971 CG ASP A 63 6.086 10.371 1.630 1.00 72.12 C ATOM 972 OD1 ASP A 63 6.710 10.530 2.689 1.00 20.24 O ATOM 973 OD2 ASP A 63 4.849 10.011 1.568 1.00 34.45 O ATOM 0 H ASP A 63 7.175 8.776 -2.400 1.00 43.22 H new ATOM 0 HA ASP A 63 5.918 8.800 -0.554 1.00 63.12 H new ATOM 0 HB2 ASP A 63 7.815 10.336 0.364 1.00 51.32 H new ATOM 0 HB3 ASP A 63 6.716 11.661 0.038 1.00 51.32 H new ATOM 979 N HIS A 64 4.334 10.049 -2.446 1.00 35.51 N ATOM 980 CA HIS A 64 3.133 10.647 -3.005 1.00 4.30 C ATOM 981 C HIS A 64 2.322 9.579 -3.741 1.00 42.23 C ATOM 982 O HIS A 64 2.882 8.762 -4.471 1.00 2.15 O ATOM 983 CB HIS A 64 3.486 11.842 -3.894 1.00 33.23 C ATOM 984 CG HIS A 64 2.511 12.991 -3.793 1.00 73.43 C ATOM 985 ND1 HIS A 64 1.138 12.811 -3.793 1.00 44.34 N ATOM 986 CD2 HIS A 64 2.724 14.334 -3.689 1.00 33.22 C ATOM 987 CE1 HIS A 64 0.561 14.000 -3.694 1.00 64.20 C ATOM 988 NE2 HIS A 64 1.546 14.942 -3.630 1.00 15.11 N ATOM 0 H HIS A 64 4.684 9.238 -2.956 1.00 35.51 H new ATOM 0 HA HIS A 64 2.508 11.037 -2.202 1.00 4.30 H new ATOM 0 HB2 HIS A 64 4.481 12.199 -3.628 1.00 33.23 H new ATOM 0 HB3 HIS A 64 3.534 11.509 -4.931 1.00 33.23 H new ATOM 0 HD2 HIS A 64 3.688 14.820 -3.660 1.00 33.22 H new ATOM 0 HE1 HIS A 64 -0.502 14.190 -3.668 1.00 64.20 H new ATOM 0 HE2 HIS A 64 1.401 15.948 -3.550 1.00 15.11 H new ATOM 996 N GLN A 65 1.016 9.620 -3.525 1.00 12.42 N ATOM 997 CA GLN A 65 0.122 8.666 -4.159 1.00 13.43 C ATOM 998 C GLN A 65 0.045 8.930 -5.664 1.00 22.31 C ATOM 999 O GLN A 65 0.018 7.993 -6.461 1.00 13.21 O ATOM 1000 CB GLN A 65 -1.269 8.712 -3.523 1.00 10.23 C ATOM 1001 CG GLN A 65 -2.117 9.828 -4.137 1.00 64.13 C ATOM 1002 CD GLN A 65 -3.475 9.932 -3.440 1.00 43.13 C ATOM 1003 OE1 GLN A 65 -4.429 9.252 -3.779 1.00 71.13 O ATOM 1004 NE2 GLN A 65 -3.508 10.819 -2.450 1.00 2.11 N ATOM 0 H GLN A 65 0.555 10.299 -2.920 1.00 12.42 H new ATOM 0 HA GLN A 65 0.523 7.664 -4.005 1.00 13.43 H new ATOM 0 HB2 GLN A 65 -1.768 7.753 -3.662 1.00 10.23 H new ATOM 0 HB3 GLN A 65 -1.176 8.870 -2.449 1.00 10.23 H new ATOM 0 HG2 GLN A 65 -1.589 10.778 -4.055 1.00 64.13 H new ATOM 0 HG3 GLN A 65 -2.264 9.635 -5.200 1.00 64.13 H new ATOM 0 HE21 GLN A 65 -2.672 11.356 -2.218 1.00 2.11 H new ATOM 0 HE22 GLN A 65 -4.369 10.963 -1.923 1.00 2.11 H new ATOM 1013 N SER A 66 0.013 10.209 -6.008 1.00 20.13 N ATOM 1014 CA SER A 66 -0.060 10.607 -7.403 1.00 42.22 C ATOM 1015 C SER A 66 1.049 9.919 -8.202 1.00 50.22 C ATOM 1016 O SER A 66 0.781 9.273 -9.214 1.00 14.20 O ATOM 1017 CB SER A 66 0.046 12.127 -7.548 1.00 72.55 C ATOM 1018 OG SER A 66 -1.235 12.748 -7.598 1.00 55.41 O ATOM 0 H SER A 66 0.036 10.983 -5.344 1.00 20.13 H new ATOM 0 HA SER A 66 -1.028 10.298 -7.797 1.00 42.22 H new ATOM 0 HB2 SER A 66 0.613 12.533 -6.710 1.00 72.55 H new ATOM 0 HB3 SER A 66 0.601 12.367 -8.455 1.00 72.55 H new ATOM 0 HG SER A 66 -1.125 13.718 -7.689 1.00 55.41 H new ATOM 1024 N CYS A 67 2.271 10.081 -7.718 1.00 4.43 N ATOM 1025 CA CYS A 67 3.422 9.484 -8.374 1.00 11.10 C ATOM 1026 C CYS A 67 3.160 7.985 -8.533 1.00 53.22 C ATOM 1027 O CYS A 67 2.063 7.509 -8.243 1.00 4.04 O ATOM 1028 CB CYS A 67 4.717 9.759 -7.606 1.00 73.43 C ATOM 1029 SG CYS A 67 4.920 11.558 -7.345 1.00 15.42 S ATOM 0 H CYS A 67 2.490 10.618 -6.879 1.00 4.43 H new ATOM 0 HA CYS A 67 3.558 9.935 -9.357 1.00 11.10 H new ATOM 0 HB2 CYS A 67 4.696 9.244 -6.646 1.00 73.43 H new ATOM 0 HB3 CYS A 67 5.569 9.365 -8.160 1.00 73.43 H new ATOM 0 HG CYS A 67 5.430 12.097 -8.413 1.00 15.42 H new ATOM 1035 N SER A 68 4.184 7.283 -8.994 1.00 44.32 N ATOM 1036 CA SER A 68 4.078 5.848 -9.195 1.00 44.25 C ATOM 1037 C SER A 68 5.331 5.151 -8.660 1.00 73.23 C ATOM 1038 O SER A 68 6.333 5.803 -8.371 1.00 32.41 O ATOM 1039 CB SER A 68 3.875 5.513 -10.674 1.00 63.04 C ATOM 1040 OG SER A 68 2.983 6.424 -11.311 1.00 1.04 O ATOM 0 H SER A 68 5.092 7.681 -9.234 1.00 44.32 H new ATOM 0 HA SER A 68 3.208 5.489 -8.646 1.00 44.25 H new ATOM 0 HB2 SER A 68 4.838 5.531 -11.185 1.00 63.04 H new ATOM 0 HB3 SER A 68 3.484 4.500 -10.766 1.00 63.04 H new ATOM 0 HG SER A 68 2.881 6.177 -12.254 1.00 1.04 H new ATOM 1046 N ARG A 69 5.232 3.835 -8.545 1.00 23.42 N ATOM 1047 CA ARG A 69 6.345 3.042 -8.049 1.00 74.44 C ATOM 1048 C ARG A 69 7.663 3.555 -8.631 1.00 42.13 C ATOM 1049 O ARG A 69 8.636 3.742 -7.902 1.00 42.55 O ATOM 1050 CB ARG A 69 6.174 1.566 -8.415 1.00 24.45 C ATOM 1051 CG ARG A 69 5.083 0.913 -7.564 1.00 71.20 C ATOM 1052 CD ARG A 69 3.729 0.966 -8.275 1.00 31.14 C ATOM 1053 NE ARG A 69 2.907 -0.202 -7.886 1.00 1.23 N ATOM 1054 CZ ARG A 69 1.715 -0.507 -8.440 1.00 53.34 C ATOM 1055 NH1 ARG A 69 1.194 0.269 -9.415 1.00 11.22 N ATOM 1056 NH2 ARG A 69 1.066 -1.575 -8.016 1.00 15.33 N ATOM 0 H ARG A 69 4.399 3.298 -8.786 1.00 23.42 H new ATOM 0 HA ARG A 69 6.363 3.137 -6.963 1.00 74.44 H new ATOM 0 HB2 ARG A 69 5.919 1.477 -9.471 1.00 24.45 H new ATOM 0 HB3 ARG A 69 7.117 1.040 -8.269 1.00 24.45 H new ATOM 0 HG2 ARG A 69 5.349 -0.124 -7.358 1.00 71.20 H new ATOM 0 HG3 ARG A 69 5.013 1.422 -6.603 1.00 71.20 H new ATOM 0 HD2 ARG A 69 3.209 1.889 -8.017 1.00 31.14 H new ATOM 0 HD3 ARG A 69 3.876 0.974 -9.355 1.00 31.14 H new ATOM 0 HE ARG A 69 3.264 -0.815 -7.153 1.00 1.23 H new ATOM 0 HH11 ARG A 69 1.702 1.092 -9.738 1.00 11.22 H new ATOM 0 HH12 ARG A 69 0.292 0.032 -9.829 1.00 11.22 H new ATOM 0 HH21 ARG A 69 1.467 -2.156 -7.280 1.00 15.33 H new ATOM 0 HH22 ARG A 69 0.164 -1.819 -8.425 1.00 15.33 H new ATOM 1069 N VAL A 70 7.653 3.768 -9.939 1.00 0.11 N ATOM 1070 CA VAL A 70 8.836 4.256 -10.627 1.00 1.21 C ATOM 1071 C VAL A 70 8.479 5.520 -11.412 1.00 3.23 C ATOM 1072 O VAL A 70 8.521 5.524 -12.641 1.00 41.50 O ATOM 1073 CB VAL A 70 9.422 3.151 -11.508 1.00 5.11 C ATOM 1074 CG1 VAL A 70 10.906 3.401 -11.786 1.00 20.10 C ATOM 1075 CG2 VAL A 70 9.207 1.774 -10.876 1.00 40.34 C ATOM 0 H VAL A 70 6.844 3.611 -10.540 1.00 0.11 H new ATOM 0 HA VAL A 70 9.611 4.527 -9.910 1.00 1.21 H new ATOM 0 HB VAL A 70 8.895 3.168 -12.462 1.00 5.11 H new ATOM 0 HG11 VAL A 70 11.298 2.601 -12.414 1.00 20.10 H new ATOM 0 HG12 VAL A 70 11.024 4.356 -12.298 1.00 20.10 H new ATOM 0 HG13 VAL A 70 11.454 3.424 -10.844 1.00 20.10 H new ATOM 0 HG21 VAL A 70 9.633 1.007 -11.522 1.00 40.34 H new ATOM 0 HG22 VAL A 70 9.696 1.740 -9.902 1.00 40.34 H new ATOM 0 HG23 VAL A 70 8.139 1.593 -10.753 1.00 40.34 H new ATOM 1085 N HIS A 71 8.136 6.562 -10.669 1.00 5.32 N ATOM 1086 CA HIS A 71 7.773 7.830 -11.280 1.00 34.53 C ATOM 1087 C HIS A 71 8.831 8.224 -12.312 1.00 54.11 C ATOM 1088 O HIS A 71 8.498 8.592 -13.438 1.00 10.44 O ATOM 1089 CB HIS A 71 7.555 8.904 -10.213 1.00 4.32 C ATOM 1090 CG HIS A 71 7.149 10.248 -10.769 1.00 11.32 C ATOM 1091 ND1 HIS A 71 5.994 10.903 -10.378 1.00 72.11 N ATOM 1092 CD2 HIS A 71 7.756 11.053 -11.688 1.00 13.02 C ATOM 1093 CE1 HIS A 71 5.918 12.048 -11.039 1.00 43.54 C ATOM 1094 NE2 HIS A 71 7.011 12.139 -11.851 1.00 11.40 N ATOM 0 H HIS A 71 8.102 6.554 -9.650 1.00 5.32 H new ATOM 0 HA HIS A 71 6.824 7.726 -11.806 1.00 34.53 H new ATOM 0 HB2 HIS A 71 6.787 8.562 -9.519 1.00 4.32 H new ATOM 0 HB3 HIS A 71 8.474 9.022 -9.638 1.00 4.32 H new ATOM 0 HD2 HIS A 71 8.685 10.842 -12.197 1.00 13.02 H new ATOM 0 HE1 HIS A 71 5.130 12.781 -10.951 1.00 43.54 H new ATOM 0 HE2 HIS A 71 7.221 12.914 -12.480 1.00 11.40 H new ATOM 1103 N ALA A 72 10.084 8.133 -11.892 1.00 52.40 N ATOM 1104 CA ALA A 72 11.193 8.476 -12.766 1.00 52.30 C ATOM 1105 C ALA A 72 12.481 7.862 -12.214 1.00 75.50 C ATOM 1106 O ALA A 72 12.450 7.137 -11.220 1.00 64.05 O ATOM 1107 CB ALA A 72 11.285 9.998 -12.902 1.00 35.51 C ATOM 0 H ALA A 72 10.356 7.827 -10.958 1.00 52.40 H new ATOM 0 HA ALA A 72 11.034 8.068 -13.764 1.00 52.30 H new ATOM 0 HB1 ALA A 72 12.117 10.255 -13.558 1.00 35.51 H new ATOM 0 HB2 ALA A 72 10.357 10.382 -13.326 1.00 35.51 H new ATOM 0 HB3 ALA A 72 11.447 10.442 -11.920 1.00 35.51 H new ATOM 1113 N ALA A 73 13.581 8.173 -12.882 1.00 41.34 N ATOM 1114 CA ALA A 73 14.877 7.660 -12.471 1.00 40.52 C ATOM 1115 C ALA A 73 15.955 8.700 -12.785 1.00 71.11 C ATOM 1116 O ALA A 73 15.844 9.439 -13.762 1.00 71.12 O ATOM 1117 CB ALA A 73 15.139 6.321 -13.163 1.00 43.30 C ATOM 0 H ALA A 73 13.602 8.774 -13.706 1.00 41.34 H new ATOM 0 HA ALA A 73 14.896 7.480 -11.396 1.00 40.52 H new ATOM 0 HB1 ALA A 73 16.111 5.936 -12.855 1.00 43.30 H new ATOM 0 HB2 ALA A 73 14.362 5.609 -12.884 1.00 43.30 H new ATOM 0 HB3 ALA A 73 15.131 6.462 -14.244 1.00 43.30 H new ATOM 1123 N LEU A 74 16.974 8.724 -11.938 1.00 75.42 N ATOM 1124 CA LEU A 74 18.071 9.660 -12.113 1.00 54.20 C ATOM 1125 C LEU A 74 19.248 8.942 -12.776 1.00 54.24 C ATOM 1126 O LEU A 74 19.317 7.714 -12.764 1.00 1.22 O ATOM 1127 CB LEU A 74 18.426 10.323 -10.781 1.00 4.32 C ATOM 1128 CG LEU A 74 19.724 11.133 -10.760 1.00 44.23 C ATOM 1129 CD1 LEU A 74 19.753 12.093 -9.569 1.00 52.24 C ATOM 1130 CD2 LEU A 74 20.946 10.212 -10.783 1.00 52.14 C ATOM 0 H LEU A 74 17.063 8.110 -11.128 1.00 75.42 H new ATOM 0 HA LEU A 74 17.777 10.472 -12.779 1.00 54.20 H new ATOM 0 HB2 LEU A 74 17.606 10.981 -10.495 1.00 4.32 H new ATOM 0 HB3 LEU A 74 18.493 9.547 -10.018 1.00 4.32 H new ATOM 0 HG LEU A 74 19.761 11.741 -11.664 1.00 44.23 H new ATOM 0 HD11 LEU A 74 20.686 12.656 -9.578 1.00 52.24 H new ATOM 0 HD12 LEU A 74 18.912 12.783 -9.637 1.00 52.24 H new ATOM 0 HD13 LEU A 74 19.681 11.525 -8.642 1.00 52.24 H new ATOM 0 HD21 LEU A 74 21.855 10.813 -10.767 1.00 52.14 H new ATOM 0 HD22 LEU A 74 20.927 9.560 -9.909 1.00 52.14 H new ATOM 0 HD23 LEU A 74 20.928 9.606 -11.689 1.00 52.14 H new ATOM 1142 N VAL A 75 20.144 9.739 -13.340 1.00 73.10 N ATOM 1143 CA VAL A 75 21.314 9.195 -14.007 1.00 63.22 C ATOM 1144 C VAL A 75 22.435 10.236 -13.992 1.00 12.41 C ATOM 1145 O VAL A 75 22.233 11.377 -14.406 1.00 13.05 O ATOM 1146 CB VAL A 75 20.945 8.734 -15.419 1.00 3.41 C ATOM 1147 CG1 VAL A 75 22.171 8.192 -16.157 1.00 1.43 C ATOM 1148 CG2 VAL A 75 19.824 7.694 -15.381 1.00 12.32 C ATOM 0 H VAL A 75 20.083 10.757 -13.349 1.00 73.10 H new ATOM 0 HA VAL A 75 21.680 8.315 -13.478 1.00 63.22 H new ATOM 0 HB VAL A 75 20.579 9.601 -15.969 1.00 3.41 H new ATOM 0 HG11 VAL A 75 21.881 7.871 -17.158 1.00 1.43 H new ATOM 0 HG12 VAL A 75 22.926 8.974 -16.231 1.00 1.43 H new ATOM 0 HG13 VAL A 75 22.580 7.344 -15.608 1.00 1.43 H new ATOM 0 HG21 VAL A 75 19.581 7.383 -16.397 1.00 12.32 H new ATOM 0 HG22 VAL A 75 20.150 6.828 -14.805 1.00 12.32 H new ATOM 0 HG23 VAL A 75 18.940 8.128 -14.914 1.00 12.32 H new ATOM 1158 N TYR A 76 23.592 9.807 -13.511 1.00 20.25 N ATOM 1159 CA TYR A 76 24.745 10.688 -13.436 1.00 10.02 C ATOM 1160 C TYR A 76 25.618 10.556 -14.685 1.00 61.33 C ATOM 1161 O TYR A 76 26.260 9.527 -14.892 1.00 42.11 O ATOM 1162 CB TYR A 76 25.547 10.230 -12.216 1.00 45.05 C ATOM 1163 CG TYR A 76 26.744 11.125 -11.887 1.00 14.13 C ATOM 1164 CD1 TYR A 76 26.559 12.283 -11.159 1.00 22.13 C ATOM 1165 CD2 TYR A 76 28.007 10.775 -12.317 1.00 63.24 C ATOM 1166 CE1 TYR A 76 27.685 13.125 -10.848 1.00 50.44 C ATOM 1167 CE2 TYR A 76 29.133 11.617 -12.007 1.00 41.31 C ATOM 1168 CZ TYR A 76 28.916 12.751 -11.288 1.00 4.11 C ATOM 1169 OH TYR A 76 29.980 13.547 -10.995 1.00 34.22 O ATOM 0 H TYR A 76 23.756 8.860 -13.169 1.00 20.25 H new ATOM 0 HA TYR A 76 24.429 11.729 -13.362 1.00 10.02 H new ATOM 0 HB2 TYR A 76 24.885 10.194 -11.351 1.00 45.05 H new ATOM 0 HB3 TYR A 76 25.902 9.214 -12.388 1.00 45.05 H new ATOM 0 HD1 TYR A 76 25.570 12.557 -10.823 1.00 22.13 H new ATOM 0 HD2 TYR A 76 28.151 9.869 -12.887 1.00 63.24 H new ATOM 0 HE1 TYR A 76 27.555 14.033 -10.278 1.00 50.44 H new ATOM 0 HE2 TYR A 76 30.127 11.354 -12.338 1.00 41.31 H new ATOM 0 HH TYR A 76 29.683 14.479 -10.929 1.00 34.22 H new ATOM 1179 N HIS A 77 25.614 11.611 -15.486 1.00 11.42 N ATOM 1180 CA HIS A 77 26.398 11.626 -16.709 1.00 54.03 C ATOM 1181 C HIS A 77 27.885 11.513 -16.368 1.00 34.34 C ATOM 1182 O HIS A 77 28.298 11.846 -15.258 1.00 54.40 O ATOM 1183 CB HIS A 77 26.074 12.865 -17.547 1.00 4.14 C ATOM 1184 CG HIS A 77 26.002 12.601 -19.032 1.00 22.13 C ATOM 1185 ND1 HIS A 77 27.128 12.460 -19.824 1.00 24.44 N ATOM 1186 CD2 HIS A 77 24.928 12.453 -19.859 1.00 43.15 C ATOM 1187 CE1 HIS A 77 26.738 12.238 -21.070 1.00 41.11 C ATOM 1188 NE2 HIS A 77 25.374 12.235 -21.090 1.00 62.14 N ATOM 0 H HIS A 77 25.080 12.462 -15.312 1.00 11.42 H new ATOM 0 HA HIS A 77 26.136 10.765 -17.323 1.00 54.03 H new ATOM 0 HB2 HIS A 77 25.121 13.276 -17.215 1.00 4.14 H new ATOM 0 HB3 HIS A 77 26.832 13.626 -17.360 1.00 4.14 H new ATOM 0 HD2 HIS A 77 23.891 12.504 -19.563 1.00 43.15 H new ATOM 0 HE1 HIS A 77 27.386 12.086 -21.921 1.00 41.11 H new ATOM 0 HE2 HIS A 77 24.792 12.089 -21.915 1.00 62.14 H new ATOM 1196 N LYS A 78 28.648 11.041 -17.342 1.00 24.42 N ATOM 1197 CA LYS A 78 30.081 10.879 -17.158 1.00 72.13 C ATOM 1198 C LYS A 78 30.822 11.829 -18.102 1.00 33.53 C ATOM 1199 O LYS A 78 31.796 12.467 -17.706 1.00 70.04 O ATOM 1200 CB LYS A 78 30.480 9.411 -17.325 1.00 10.34 C ATOM 1201 CG LYS A 78 30.467 9.003 -18.799 1.00 42.43 C ATOM 1202 CD LYS A 78 30.366 7.484 -18.947 1.00 34.11 C ATOM 1203 CE LYS A 78 31.598 6.792 -18.360 1.00 13.54 C ATOM 1204 NZ LYS A 78 31.235 5.467 -17.810 1.00 3.14 N ATOM 0 H LYS A 78 28.302 10.765 -18.261 1.00 24.42 H new ATOM 0 HA LYS A 78 30.368 11.150 -16.142 1.00 72.13 H new ATOM 0 HB2 LYS A 78 31.475 9.251 -16.909 1.00 10.34 H new ATOM 0 HB3 LYS A 78 29.794 8.778 -16.763 1.00 10.34 H new ATOM 0 HG2 LYS A 78 29.626 9.478 -19.304 1.00 42.43 H new ATOM 0 HG3 LYS A 78 31.374 9.360 -19.287 1.00 42.43 H new ATOM 0 HD2 LYS A 78 29.468 7.125 -18.443 1.00 34.11 H new ATOM 0 HD3 LYS A 78 30.266 7.224 -20.001 1.00 34.11 H new ATOM 0 HE2 LYS A 78 32.359 6.676 -19.131 1.00 13.54 H new ATOM 0 HE3 LYS A 78 32.031 7.412 -17.575 1.00 13.54 H new ATOM 0 HZ1 LYS A 78 31.707 5.331 -16.893 1.00 3.14 H new ATOM 0 HZ2 LYS A 78 30.204 5.415 -17.680 1.00 3.14 H new ATOM 0 HZ3 LYS A 78 31.539 4.722 -18.469 1.00 3.14 H new ATOM 1217 N HIS A 79 30.332 11.892 -19.331 1.00 73.31 N ATOM 1218 CA HIS A 79 30.935 12.753 -20.334 1.00 63.30 C ATOM 1219 C HIS A 79 30.582 14.212 -20.038 1.00 32.51 C ATOM 1220 O HIS A 79 31.147 15.125 -20.637 1.00 3.01 O ATOM 1221 CB HIS A 79 30.525 12.317 -21.742 1.00 13.10 C ATOM 1222 CG HIS A 79 30.388 10.822 -21.907 1.00 15.31 C ATOM 1223 ND1 HIS A 79 31.451 10.005 -22.246 1.00 25.31 N ATOM 1224 CD2 HIS A 79 29.302 10.007 -21.775 1.00 21.10 C ATOM 1225 CE1 HIS A 79 31.014 8.756 -22.313 1.00 64.22 C ATOM 1226 NE2 HIS A 79 29.682 8.759 -22.022 1.00 11.35 N ATOM 0 H HIS A 79 29.524 11.361 -19.655 1.00 73.31 H new ATOM 0 HA HIS A 79 32.020 12.663 -20.291 1.00 63.30 H new ATOM 0 HB2 HIS A 79 29.575 12.789 -21.995 1.00 13.10 H new ATOM 0 HB3 HIS A 79 31.263 12.685 -22.454 1.00 13.10 H new ATOM 0 HD1 HIS A 79 32.409 10.312 -22.416 1.00 25.31 H new ATOM 0 HD2 HIS A 79 28.303 10.323 -21.514 1.00 21.10 H new ATOM 0 HE1 HIS A 79 31.609 7.888 -22.556 1.00 64.22 H new ATOM 1234 N LEU A 80 29.648 14.385 -19.114 1.00 22.21 N ATOM 1235 CA LEU A 80 29.212 15.717 -18.731 1.00 4.01 C ATOM 1236 C LEU A 80 29.544 15.953 -17.256 1.00 31.10 C ATOM 1237 O LEU A 80 29.750 17.091 -16.837 1.00 21.23 O ATOM 1238 CB LEU A 80 27.733 15.914 -19.068 1.00 42.51 C ATOM 1239 CG LEU A 80 27.338 15.664 -20.525 1.00 30.43 C ATOM 1240 CD1 LEU A 80 25.876 16.043 -20.769 1.00 62.03 C ATOM 1241 CD2 LEU A 80 28.286 16.388 -21.483 1.00 20.14 C ATOM 0 H LEU A 80 29.181 13.625 -18.620 1.00 22.21 H new ATOM 0 HA LEU A 80 29.749 16.473 -19.304 1.00 4.01 H new ATOM 0 HB2 LEU A 80 27.145 15.251 -18.434 1.00 42.51 H new ATOM 0 HB3 LEU A 80 27.454 16.935 -18.807 1.00 42.51 H new ATOM 0 HG LEU A 80 27.432 14.597 -20.726 1.00 30.43 H new ATOM 0 HD11 LEU A 80 25.621 15.856 -21.812 1.00 62.03 H new ATOM 0 HD12 LEU A 80 25.232 15.444 -20.125 1.00 62.03 H new ATOM 0 HD13 LEU A 80 25.732 17.100 -20.544 1.00 62.03 H new ATOM 0 HD21 LEU A 80 27.982 16.193 -22.512 1.00 20.14 H new ATOM 0 HD22 LEU A 80 28.249 17.460 -21.290 1.00 20.14 H new ATOM 0 HD23 LEU A 80 29.303 16.027 -21.330 1.00 20.14 H new ATOM 1253 N LYS A 81 29.585 14.859 -16.509 1.00 53.24 N ATOM 1254 CA LYS A 81 29.888 14.933 -15.090 1.00 75.32 C ATOM 1255 C LYS A 81 28.735 15.628 -14.363 1.00 3.34 C ATOM 1256 O LYS A 81 28.958 16.378 -13.413 1.00 44.03 O ATOM 1257 CB LYS A 81 31.247 15.598 -14.866 1.00 61.32 C ATOM 1258 CG LYS A 81 32.381 14.725 -15.409 1.00 35.22 C ATOM 1259 CD LYS A 81 32.688 15.069 -16.868 1.00 13.45 C ATOM 1260 CE LYS A 81 33.362 16.439 -16.977 1.00 72.51 C ATOM 1261 NZ LYS A 81 34.834 16.298 -16.918 1.00 71.42 N ATOM 0 H LYS A 81 29.413 13.917 -16.860 1.00 53.24 H new ATOM 0 HA LYS A 81 29.976 13.933 -14.666 1.00 75.32 H new ATOM 0 HB2 LYS A 81 31.265 16.571 -15.357 1.00 61.32 H new ATOM 0 HB3 LYS A 81 31.398 15.776 -13.801 1.00 61.32 H new ATOM 0 HG2 LYS A 81 33.276 14.866 -14.802 1.00 35.22 H new ATOM 0 HG3 LYS A 81 32.105 13.674 -15.330 1.00 35.22 H new ATOM 0 HD2 LYS A 81 33.337 14.305 -17.297 1.00 13.45 H new ATOM 0 HD3 LYS A 81 31.765 15.066 -17.448 1.00 13.45 H new ATOM 0 HE2 LYS A 81 33.074 16.919 -17.912 1.00 72.51 H new ATOM 0 HE3 LYS A 81 33.020 17.085 -16.168 1.00 72.51 H new ATOM 0 HZ1 LYS A 81 35.276 17.236 -16.993 1.00 71.42 H new ATOM 0 HZ2 LYS A 81 35.105 15.859 -16.015 1.00 71.42 H new ATOM 0 HZ3 LYS A 81 35.157 15.699 -17.704 1.00 71.42 H new ATOM 1274 N ARG A 82 27.528 15.355 -14.836 1.00 2.15 N ATOM 1275 CA ARG A 82 26.341 15.945 -14.242 1.00 14.31 C ATOM 1276 C ARG A 82 25.304 14.862 -13.939 1.00 73.44 C ATOM 1277 O ARG A 82 25.614 13.672 -13.979 1.00 42.13 O ATOM 1278 CB ARG A 82 25.720 16.989 -15.173 1.00 4.34 C ATOM 1279 CG ARG A 82 26.653 17.301 -16.345 1.00 54.31 C ATOM 1280 CD ARG A 82 25.940 18.147 -17.402 1.00 52.22 C ATOM 1281 NE ARG A 82 26.842 19.214 -17.890 1.00 24.12 N ATOM 1282 CZ ARG A 82 27.138 20.332 -17.193 1.00 65.23 C ATOM 1283 NH1 ARG A 82 26.605 20.539 -15.971 1.00 33.12 N ATOM 1284 NH2 ARG A 82 27.958 21.219 -17.726 1.00 13.43 N ATOM 0 H ARG A 82 27.347 14.733 -15.624 1.00 2.15 H new ATOM 0 HA ARG A 82 26.642 16.434 -13.315 1.00 14.31 H new ATOM 0 HB2 ARG A 82 24.765 16.623 -15.551 1.00 4.34 H new ATOM 0 HB3 ARG A 82 25.513 17.902 -14.615 1.00 4.34 H new ATOM 0 HG2 ARG A 82 27.533 17.831 -15.983 1.00 54.31 H new ATOM 0 HG3 ARG A 82 27.003 16.371 -16.793 1.00 54.31 H new ATOM 0 HD2 ARG A 82 25.626 17.516 -18.234 1.00 52.22 H new ATOM 0 HD3 ARG A 82 25.038 18.588 -16.979 1.00 52.22 H new ATOM 0 HE ARG A 82 27.267 19.098 -18.810 1.00 24.12 H new ATOM 0 HH11 ARG A 82 25.973 19.848 -15.567 1.00 33.12 H new ATOM 0 HH12 ARG A 82 26.834 21.386 -15.452 1.00 33.12 H new ATOM 0 HH21 ARG A 82 28.357 21.054 -18.650 1.00 13.43 H new ATOM 0 HH22 ARG A 82 28.193 22.069 -17.214 1.00 13.43 H new ATOM 1297 N VAL A 83 24.093 15.312 -13.644 1.00 22.32 N ATOM 1298 CA VAL A 83 23.009 14.395 -13.335 1.00 12.33 C ATOM 1299 C VAL A 83 21.906 14.544 -14.385 1.00 1.22 C ATOM 1300 O VAL A 83 21.894 15.511 -15.145 1.00 2.32 O ATOM 1301 CB VAL A 83 22.512 14.635 -11.908 1.00 32.13 C ATOM 1302 CG1 VAL A 83 21.304 13.751 -11.592 1.00 73.32 C ATOM 1303 CG2 VAL A 83 23.634 14.413 -10.892 1.00 1.13 C ATOM 0 H VAL A 83 23.839 16.299 -13.612 1.00 22.32 H new ATOM 0 HA VAL A 83 23.358 13.363 -13.374 1.00 12.33 H new ATOM 0 HB VAL A 83 22.194 15.675 -11.835 1.00 32.13 H new ATOM 0 HG11 VAL A 83 20.971 13.941 -10.572 1.00 73.32 H new ATOM 0 HG12 VAL A 83 20.495 13.978 -12.286 1.00 73.32 H new ATOM 0 HG13 VAL A 83 21.584 12.702 -11.692 1.00 73.32 H new ATOM 0 HG21 VAL A 83 23.254 14.590 -9.886 1.00 1.13 H new ATOM 0 HG22 VAL A 83 23.996 13.388 -10.968 1.00 1.13 H new ATOM 0 HG23 VAL A 83 24.453 15.103 -11.097 1.00 1.13 H new ATOM 1313 N PHE A 84 21.006 13.572 -14.393 1.00 61.04 N ATOM 1314 CA PHE A 84 19.902 13.583 -15.338 1.00 33.33 C ATOM 1315 C PHE A 84 18.647 12.962 -14.721 1.00 33.12 C ATOM 1316 O PHE A 84 18.741 12.086 -13.862 1.00 11.51 O ATOM 1317 CB PHE A 84 20.334 12.742 -16.541 1.00 34.14 C ATOM 1318 CG PHE A 84 21.072 13.535 -17.621 1.00 24.31 C ATOM 1319 CD1 PHE A 84 22.417 13.719 -17.530 1.00 31.53 C ATOM 1320 CD2 PHE A 84 20.385 14.056 -18.672 1.00 74.41 C ATOM 1321 CE1 PHE A 84 23.102 14.454 -18.532 1.00 44.31 C ATOM 1322 CE2 PHE A 84 21.070 14.791 -19.675 1.00 2.44 C ATOM 1323 CZ PHE A 84 22.415 14.975 -19.583 1.00 53.24 C ATOM 0 H PHE A 84 21.018 12.772 -13.761 1.00 61.04 H new ATOM 0 HA PHE A 84 19.666 14.608 -15.623 1.00 33.33 H new ATOM 0 HB2 PHE A 84 20.978 11.934 -16.194 1.00 34.14 H new ATOM 0 HB3 PHE A 84 19.452 12.279 -16.983 1.00 34.14 H new ATOM 0 HD1 PHE A 84 22.963 13.306 -16.695 1.00 31.53 H new ATOM 0 HD2 PHE A 84 19.317 13.911 -18.744 1.00 74.41 H new ATOM 0 HE1 PHE A 84 24.170 14.600 -18.460 1.00 44.31 H new ATOM 0 HE2 PHE A 84 20.524 15.204 -20.510 1.00 2.44 H new ATOM 0 HZ PHE A 84 22.937 15.535 -20.345 1.00 53.24 H new ATOM 1333 N LEU A 85 17.501 13.440 -15.183 1.00 34.41 N ATOM 1334 CA LEU A 85 16.228 12.942 -14.687 1.00 44.53 C ATOM 1335 C LEU A 85 15.406 12.402 -15.859 1.00 13.14 C ATOM 1336 O LEU A 85 14.902 13.172 -16.675 1.00 73.32 O ATOM 1337 CB LEU A 85 15.509 14.023 -13.878 1.00 4.53 C ATOM 1338 CG LEU A 85 14.102 13.672 -13.391 1.00 10.21 C ATOM 1339 CD1 LEU A 85 13.926 12.157 -13.270 1.00 0.32 C ATOM 1340 CD2 LEU A 85 13.779 14.393 -12.081 1.00 1.32 C ATOM 0 H LEU A 85 17.427 14.166 -15.895 1.00 34.41 H new ATOM 0 HA LEU A 85 16.385 12.112 -13.998 1.00 44.53 H new ATOM 0 HB2 LEU A 85 16.122 14.267 -13.010 1.00 4.53 H new ATOM 0 HB3 LEU A 85 15.447 14.924 -14.488 1.00 4.53 H new ATOM 0 HG LEU A 85 13.386 14.021 -14.135 1.00 10.21 H new ATOM 0 HD11 LEU A 85 12.917 11.935 -12.922 1.00 0.32 H new ATOM 0 HD12 LEU A 85 14.084 11.693 -14.244 1.00 0.32 H new ATOM 0 HD13 LEU A 85 14.651 11.762 -12.558 1.00 0.32 H new ATOM 0 HD21 LEU A 85 12.773 14.126 -11.757 1.00 1.32 H new ATOM 0 HD22 LEU A 85 14.497 14.097 -11.316 1.00 1.32 H new ATOM 0 HD23 LEU A 85 13.836 15.471 -12.235 1.00 1.32 H new ATOM 1352 N ILE A 86 15.295 11.083 -15.904 1.00 22.44 N ATOM 1353 CA ILE A 86 14.542 10.430 -16.961 1.00 43.24 C ATOM 1354 C ILE A 86 13.108 10.188 -16.486 1.00 24.10 C ATOM 1355 O ILE A 86 12.868 9.329 -15.639 1.00 2.23 O ATOM 1356 CB ILE A 86 15.259 9.161 -17.425 1.00 24.42 C ATOM 1357 CG1 ILE A 86 16.766 9.261 -17.180 1.00 3.53 C ATOM 1358 CG2 ILE A 86 14.936 8.851 -18.888 1.00 0.30 C ATOM 1359 CD1 ILE A 86 17.533 8.282 -18.070 1.00 23.52 C ATOM 0 H ILE A 86 15.714 10.448 -15.225 1.00 22.44 H new ATOM 0 HA ILE A 86 14.483 11.073 -17.839 1.00 43.24 H new ATOM 0 HB ILE A 86 14.891 8.325 -16.830 1.00 24.42 H new ATOM 0 HG12 ILE A 86 17.103 10.278 -17.378 1.00 3.53 H new ATOM 0 HG13 ILE A 86 16.982 9.051 -16.132 1.00 3.53 H new ATOM 0 HG21 ILE A 86 15.459 7.944 -19.192 1.00 0.30 H new ATOM 0 HG22 ILE A 86 13.862 8.706 -19.000 1.00 0.30 H new ATOM 0 HG23 ILE A 86 15.257 9.682 -19.516 1.00 0.30 H new ATOM 0 HD11 ILE A 86 18.602 8.374 -17.876 1.00 23.52 H new ATOM 0 HD12 ILE A 86 17.211 7.264 -17.853 1.00 23.52 H new ATOM 0 HD13 ILE A 86 17.334 8.510 -19.117 1.00 23.52 H new ATOM 1371 N ASP A 87 12.193 10.960 -17.052 1.00 53.22 N ATOM 1372 CA ASP A 87 10.789 10.840 -16.697 1.00 11.42 C ATOM 1373 C ASP A 87 10.230 9.539 -17.275 1.00 62.23 C ATOM 1374 O ASP A 87 9.838 9.491 -18.440 1.00 65.03 O ATOM 1375 CB ASP A 87 9.974 12.001 -17.271 1.00 43.11 C ATOM 1376 CG ASP A 87 8.462 11.892 -17.068 1.00 53.15 C ATOM 1377 OD1 ASP A 87 7.801 11.017 -17.648 1.00 22.04 O ATOM 1378 OD2 ASP A 87 7.955 12.766 -16.266 1.00 72.03 O ATOM 0 H ASP A 87 12.396 11.671 -17.754 1.00 53.22 H new ATOM 0 HA ASP A 87 10.715 10.850 -15.610 1.00 11.42 H new ATOM 0 HB2 ASP A 87 10.321 12.929 -16.816 1.00 43.11 H new ATOM 0 HB3 ASP A 87 10.178 12.075 -18.339 1.00 43.11 H new ATOM 1384 N LEU A 88 10.211 8.515 -16.435 1.00 2.04 N ATOM 1385 CA LEU A 88 9.707 7.216 -16.848 1.00 10.51 C ATOM 1386 C LEU A 88 8.187 7.291 -17.005 1.00 71.01 C ATOM 1387 O LEU A 88 7.446 6.932 -16.091 1.00 64.51 O ATOM 1388 CB LEU A 88 10.172 6.128 -15.879 1.00 24.22 C ATOM 1389 CG LEU A 88 11.681 6.044 -15.638 1.00 41.32 C ATOM 1390 CD1 LEU A 88 12.051 4.745 -14.920 1.00 73.01 C ATOM 1391 CD2 LEU A 88 12.455 6.216 -16.947 1.00 3.34 C ATOM 0 H LEU A 88 10.537 8.558 -15.469 1.00 2.04 H new ATOM 0 HA LEU A 88 10.116 6.940 -17.820 1.00 10.51 H new ATOM 0 HB2 LEU A 88 9.679 6.289 -14.920 1.00 24.22 H new ATOM 0 HB3 LEU A 88 9.830 5.164 -16.255 1.00 24.22 H new ATOM 0 HG LEU A 88 11.968 6.866 -14.983 1.00 41.32 H new ATOM 0 HD11 LEU A 88 13.129 4.711 -14.761 1.00 73.01 H new ATOM 0 HD12 LEU A 88 11.541 4.703 -13.958 1.00 73.01 H new ATOM 0 HD13 LEU A 88 11.747 3.893 -15.529 1.00 73.01 H new ATOM 0 HD21 LEU A 88 13.525 6.152 -16.748 1.00 3.34 H new ATOM 0 HD22 LEU A 88 12.168 5.430 -17.645 1.00 3.34 H new ATOM 0 HD23 LEU A 88 12.224 7.189 -17.381 1.00 3.34 H new ATOM 1403 N ASN A 89 7.767 7.760 -18.171 1.00 31.21 N ATOM 1404 CA ASN A 89 6.348 7.886 -18.460 1.00 4.13 C ATOM 1405 C ASN A 89 5.596 8.209 -17.167 1.00 60.31 C ATOM 1406 O ASN A 89 4.625 7.535 -16.825 1.00 4.10 O ATOM 1407 CB ASN A 89 5.783 6.581 -19.023 1.00 33.13 C ATOM 1408 CG ASN A 89 6.552 5.373 -18.485 1.00 64.33 C ATOM 1409 OD1 ASN A 89 6.050 4.581 -17.705 1.00 32.11 O ATOM 1410 ND2 ASN A 89 7.797 5.276 -18.945 1.00 34.10 N ATOM 0 H ASN A 89 8.384 8.057 -18.927 1.00 31.21 H new ATOM 0 HA ASN A 89 6.222 8.680 -19.196 1.00 4.13 H new ATOM 0 HB2 ASN A 89 4.729 6.493 -18.759 1.00 33.13 H new ATOM 0 HB3 ASN A 89 5.838 6.596 -20.111 1.00 33.13 H new ATOM 0 HD21 ASN A 89 8.393 4.504 -18.646 1.00 34.10 H new ATOM 0 HD22 ASN A 89 8.156 5.974 -19.597 1.00 34.10 H new ATOM 1417 N SER A 90 6.073 9.239 -16.484 1.00 54.22 N ATOM 1418 CA SER A 90 5.457 9.659 -15.237 1.00 1.42 C ATOM 1419 C SER A 90 3.967 9.930 -15.454 1.00 11.12 C ATOM 1420 O SER A 90 3.580 10.526 -16.458 1.00 3.01 O ATOM 1421 CB SER A 90 6.146 10.904 -14.675 1.00 3.24 C ATOM 1422 OG SER A 90 5.392 11.504 -13.625 1.00 54.10 O ATOM 0 H SER A 90 6.879 9.795 -16.770 1.00 54.22 H new ATOM 0 HA SER A 90 5.571 8.854 -14.511 1.00 1.42 H new ATOM 0 HB2 SER A 90 7.134 10.634 -14.303 1.00 3.24 H new ATOM 0 HB3 SER A 90 6.293 11.629 -15.475 1.00 3.24 H new ATOM 0 HG SER A 90 5.941 12.178 -13.172 1.00 54.10 H new ATOM 1428 N THR A 91 3.171 9.479 -14.496 1.00 33.13 N ATOM 1429 CA THR A 91 1.731 9.665 -14.569 1.00 64.13 C ATOM 1430 C THR A 91 1.401 11.054 -15.119 1.00 33.12 C ATOM 1431 O THR A 91 0.566 11.189 -16.012 1.00 12.42 O ATOM 1432 CB THR A 91 1.150 9.408 -13.178 1.00 32.52 C ATOM 1433 OG1 THR A 91 0.019 10.272 -13.109 1.00 31.20 O ATOM 1434 CG2 THR A 91 2.067 9.904 -12.059 1.00 1.44 C ATOM 0 H THR A 91 3.496 8.985 -13.665 1.00 33.13 H new ATOM 0 HA THR A 91 1.275 8.958 -15.262 1.00 64.13 H new ATOM 0 HB THR A 91 0.969 8.340 -13.052 1.00 32.52 H new ATOM 0 HG1 THR A 91 -0.419 10.169 -12.238 1.00 31.20 H new ATOM 0 HG21 THR A 91 1.607 9.697 -11.093 1.00 1.44 H new ATOM 0 HG22 THR A 91 3.027 9.391 -12.121 1.00 1.44 H new ATOM 0 HG23 THR A 91 2.222 10.978 -12.164 1.00 1.44 H new ATOM 1442 N HIS A 92 2.073 12.051 -14.562 1.00 74.21 N ATOM 1443 CA HIS A 92 1.861 13.425 -14.985 1.00 74.42 C ATOM 1444 C HIS A 92 3.021 13.872 -15.876 1.00 2.32 C ATOM 1445 O HIS A 92 2.859 14.018 -17.086 1.00 42.34 O ATOM 1446 CB HIS A 92 1.654 14.339 -13.776 1.00 53.54 C ATOM 1447 CG HIS A 92 1.027 13.653 -12.586 1.00 62.54 C ATOM 1448 ND1 HIS A 92 -0.333 13.682 -12.334 1.00 12.40 N ATOM 1449 CD2 HIS A 92 1.589 12.917 -11.584 1.00 52.14 C ATOM 1450 CE1 HIS A 92 -0.568 12.994 -11.227 1.00 34.31 C ATOM 1451 NE2 HIS A 92 0.624 12.521 -10.764 1.00 21.45 N ATOM 0 H HIS A 92 2.765 11.935 -13.821 1.00 74.21 H new ATOM 0 HA HIS A 92 0.948 13.491 -15.577 1.00 74.42 H new ATOM 0 HB2 HIS A 92 2.617 14.753 -13.478 1.00 53.54 H new ATOM 0 HB3 HIS A 92 1.024 15.178 -14.072 1.00 53.54 H new ATOM 0 HD1 HIS A 92 -1.035 14.153 -12.904 1.00 12.40 H new ATOM 0 HD2 HIS A 92 2.640 12.695 -11.477 1.00 52.14 H new ATOM 0 HE1 HIS A 92 -1.534 12.835 -10.771 1.00 34.31 H new ATOM 1459 N GLY A 93 4.166 14.078 -15.242 1.00 24.41 N ATOM 1460 CA GLY A 93 5.354 14.506 -15.962 1.00 31.45 C ATOM 1461 C GLY A 93 6.405 15.065 -15.001 1.00 2.30 C ATOM 1462 O GLY A 93 6.108 15.334 -13.838 1.00 22.31 O ATOM 0 H GLY A 93 4.297 13.957 -14.238 1.00 24.41 H new ATOM 0 HA2 GLY A 93 5.772 13.664 -16.514 1.00 31.45 H new ATOM 0 HA3 GLY A 93 5.085 15.266 -16.695 1.00 31.45 H new ATOM 1466 N THR A 94 7.612 15.225 -15.523 1.00 64.41 N ATOM 1467 CA THR A 94 8.709 15.747 -14.726 1.00 44.45 C ATOM 1468 C THR A 94 9.212 17.068 -15.313 1.00 10.23 C ATOM 1469 O THR A 94 9.151 17.277 -16.523 1.00 44.13 O ATOM 1470 CB THR A 94 9.791 14.668 -14.645 1.00 13.21 C ATOM 1471 OG1 THR A 94 9.093 13.511 -14.193 1.00 31.10 O ATOM 1472 CG2 THR A 94 10.811 14.944 -13.539 1.00 30.15 C ATOM 0 H THR A 94 7.855 15.002 -16.488 1.00 64.41 H new ATOM 0 HA THR A 94 8.385 15.979 -13.712 1.00 44.45 H new ATOM 0 HB THR A 94 10.306 14.597 -15.603 1.00 13.21 H new ATOM 0 HG1 THR A 94 8.618 13.101 -14.946 1.00 31.10 H new ATOM 0 HG21 THR A 94 11.556 14.149 -13.525 1.00 30.15 H new ATOM 0 HG22 THR A 94 11.302 15.899 -13.727 1.00 30.15 H new ATOM 0 HG23 THR A 94 10.302 14.982 -12.576 1.00 30.15 H new ATOM 1480 N PHE A 95 9.697 17.925 -14.426 1.00 51.55 N ATOM 1481 CA PHE A 95 10.210 19.220 -14.841 1.00 13.32 C ATOM 1482 C PHE A 95 11.540 19.530 -14.151 1.00 32.32 C ATOM 1483 O PHE A 95 11.929 18.842 -13.208 1.00 71.22 O ATOM 1484 CB PHE A 95 9.175 20.266 -14.421 1.00 3.35 C ATOM 1485 CG PHE A 95 8.115 20.555 -15.485 1.00 14.23 C ATOM 1486 CD1 PHE A 95 7.272 19.568 -15.891 1.00 65.50 C ATOM 1487 CD2 PHE A 95 8.014 21.799 -16.024 1.00 51.44 C ATOM 1488 CE1 PHE A 95 6.288 19.836 -16.879 1.00 21.43 C ATOM 1489 CE2 PHE A 95 7.030 22.067 -17.012 1.00 54.51 C ATOM 1490 CZ PHE A 95 6.187 21.080 -17.418 1.00 64.24 C ATOM 0 H PHE A 95 9.746 17.748 -13.423 1.00 51.55 H new ATOM 0 HA PHE A 95 10.380 19.225 -15.918 1.00 13.32 H new ATOM 0 HB2 PHE A 95 8.679 19.927 -13.512 1.00 3.35 H new ATOM 0 HB3 PHE A 95 9.691 21.194 -14.175 1.00 3.35 H new ATOM 0 HD1 PHE A 95 7.351 18.580 -15.462 1.00 65.50 H new ATOM 0 HD2 PHE A 95 8.682 22.583 -15.701 1.00 51.44 H new ATOM 0 HE1 PHE A 95 5.620 19.052 -17.202 1.00 21.43 H new ATOM 0 HE2 PHE A 95 6.951 23.055 -17.441 1.00 54.51 H new ATOM 0 HZ PHE A 95 5.438 21.284 -18.168 1.00 64.24 H new ATOM 1500 N LEU A 96 12.201 20.565 -14.647 1.00 54.22 N ATOM 1501 CA LEU A 96 13.479 20.974 -14.090 1.00 51.03 C ATOM 1502 C LEU A 96 13.369 22.410 -13.573 1.00 61.20 C ATOM 1503 O LEU A 96 14.148 23.277 -13.967 1.00 71.51 O ATOM 1504 CB LEU A 96 14.598 20.773 -15.114 1.00 22.02 C ATOM 1505 CG LEU A 96 15.995 21.217 -14.676 1.00 24.13 C ATOM 1506 CD1 LEU A 96 16.312 20.717 -13.265 1.00 0.32 C ATOM 1507 CD2 LEU A 96 17.053 20.778 -15.690 1.00 63.11 C ATOM 0 H LEU A 96 11.875 21.133 -15.429 1.00 54.22 H new ATOM 0 HA LEU A 96 13.742 20.347 -13.238 1.00 51.03 H new ATOM 0 HB2 LEU A 96 14.639 19.715 -15.375 1.00 22.02 H new ATOM 0 HB3 LEU A 96 14.334 21.315 -16.022 1.00 22.02 H new ATOM 0 HG LEU A 96 16.012 22.306 -14.643 1.00 24.13 H new ATOM 0 HD11 LEU A 96 17.311 21.046 -12.978 1.00 0.32 H new ATOM 0 HD12 LEU A 96 15.581 21.120 -12.564 1.00 0.32 H new ATOM 0 HD13 LEU A 96 16.270 19.628 -13.247 1.00 0.32 H new ATOM 0 HD21 LEU A 96 18.037 21.106 -15.355 1.00 63.11 H new ATOM 0 HD22 LEU A 96 17.044 19.692 -15.778 1.00 63.11 H new ATOM 0 HD23 LEU A 96 16.834 21.223 -16.661 1.00 63.11 H new ATOM 1519 N GLY A 97 12.396 22.617 -12.698 1.00 71.12 N ATOM 1520 CA GLY A 97 12.174 23.933 -12.123 1.00 22.40 C ATOM 1521 C GLY A 97 11.116 24.705 -12.913 1.00 11.30 C ATOM 1522 O GLY A 97 10.040 24.999 -12.394 1.00 22.02 O ATOM 0 H GLY A 97 11.752 21.895 -12.373 1.00 71.12 H new ATOM 0 HA2 GLY A 97 11.856 23.831 -11.085 1.00 22.40 H new ATOM 0 HA3 GLY A 97 13.109 24.493 -12.116 1.00 22.40 H new ATOM 1526 N HIS A 98 11.458 25.012 -14.156 1.00 2.45 N ATOM 1527 CA HIS A 98 10.551 25.745 -15.022 1.00 51.23 C ATOM 1528 C HIS A 98 10.594 25.149 -16.431 1.00 13.51 C ATOM 1529 O HIS A 98 10.102 25.757 -17.381 1.00 32.31 O ATOM 1530 CB HIS A 98 10.870 27.241 -15.001 1.00 55.54 C ATOM 1531 CG HIS A 98 11.808 27.685 -16.099 1.00 14.05 C ATOM 1532 ND1 HIS A 98 13.152 27.932 -15.881 1.00 71.12 N ATOM 1533 CD2 HIS A 98 11.582 27.922 -17.423 1.00 14.24 C ATOM 1534 CE1 HIS A 98 13.700 28.301 -17.029 1.00 43.33 C ATOM 1535 NE2 HIS A 98 12.725 28.295 -17.983 1.00 44.22 N ATOM 0 H HIS A 98 12.351 24.766 -14.584 1.00 2.45 H new ATOM 0 HA HIS A 98 9.530 25.646 -14.654 1.00 51.23 H new ATOM 0 HB2 HIS A 98 9.939 27.802 -15.084 1.00 55.54 H new ATOM 0 HB3 HIS A 98 11.310 27.495 -14.037 1.00 55.54 H new ATOM 0 HD2 HIS A 98 10.633 27.823 -17.929 1.00 14.24 H new ATOM 0 HE1 HIS A 98 14.737 28.561 -17.183 1.00 43.33 H new ATOM 0 HE2 HIS A 98 12.854 28.537 -18.965 1.00 44.22 H new ATOM 1543 N ILE A 99 11.186 23.968 -16.521 1.00 44.03 N ATOM 1544 CA ILE A 99 11.300 23.283 -17.798 1.00 11.32 C ATOM 1545 C ILE A 99 10.589 21.931 -17.712 1.00 12.45 C ATOM 1546 O ILE A 99 10.532 21.323 -16.644 1.00 15.21 O ATOM 1547 CB ILE A 99 12.766 23.181 -18.222 1.00 63.14 C ATOM 1548 CG1 ILE A 99 13.476 24.528 -18.074 1.00 15.53 C ATOM 1549 CG2 ILE A 99 12.888 22.622 -19.642 1.00 4.44 C ATOM 1550 CD1 ILE A 99 14.975 24.391 -18.344 1.00 3.42 C ATOM 0 H ILE A 99 11.592 23.467 -15.731 1.00 44.03 H new ATOM 0 HA ILE A 99 10.804 23.855 -18.583 1.00 11.32 H new ATOM 0 HB ILE A 99 13.266 22.479 -17.555 1.00 63.14 H new ATOM 0 HG12 ILE A 99 13.043 25.249 -18.767 1.00 15.53 H new ATOM 0 HG13 ILE A 99 13.318 24.918 -17.068 1.00 15.53 H new ATOM 0 HG21 ILE A 99 13.940 22.560 -19.919 1.00 4.44 H new ATOM 0 HG22 ILE A 99 12.443 21.628 -19.681 1.00 4.44 H new ATOM 0 HG23 ILE A 99 12.368 23.280 -20.338 1.00 4.44 H new ATOM 0 HD11 ILE A 99 15.455 25.363 -18.232 1.00 3.42 H new ATOM 0 HD12 ILE A 99 15.410 23.688 -17.634 1.00 3.42 H new ATOM 0 HD13 ILE A 99 15.130 24.025 -19.359 1.00 3.42 H new ATOM 1562 N ARG A 100 10.065 21.501 -18.850 1.00 33.34 N ATOM 1563 CA ARG A 100 9.360 20.232 -18.916 1.00 73.10 C ATOM 1564 C ARG A 100 10.249 19.163 -19.555 1.00 51.42 C ATOM 1565 O ARG A 100 10.971 19.442 -20.511 1.00 54.24 O ATOM 1566 CB ARG A 100 8.068 20.361 -19.725 1.00 52.44 C ATOM 1567 CG ARG A 100 8.357 20.334 -21.228 1.00 12.14 C ATOM 1568 CD ARG A 100 8.203 18.919 -21.790 1.00 2.51 C ATOM 1569 NE ARG A 100 6.891 18.358 -21.397 1.00 4.33 N ATOM 1570 CZ ARG A 100 5.754 18.525 -22.105 1.00 21.23 C ATOM 1571 NH1 ARG A 100 5.758 19.239 -23.250 1.00 44.22 N ATOM 1572 NH2 ARG A 100 4.638 17.979 -21.660 1.00 34.20 N ATOM 0 H ARG A 100 10.114 22.008 -19.734 1.00 33.34 H new ATOM 0 HA ARG A 100 9.109 19.939 -17.897 1.00 73.10 H new ATOM 0 HB2 ARG A 100 7.390 19.547 -19.467 1.00 52.44 H new ATOM 0 HB3 ARG A 100 7.563 21.291 -19.465 1.00 52.44 H new ATOM 0 HG2 ARG A 100 7.677 21.011 -21.745 1.00 12.14 H new ATOM 0 HG3 ARG A 100 9.368 20.695 -21.414 1.00 12.14 H new ATOM 0 HD2 ARG A 100 8.288 18.939 -22.876 1.00 2.51 H new ATOM 0 HD3 ARG A 100 9.006 18.282 -21.419 1.00 2.51 H new ATOM 0 HE ARG A 100 6.843 17.811 -20.537 1.00 4.33 H new ATOM 0 HH11 ARG A 100 6.625 19.658 -23.587 1.00 44.22 H new ATOM 0 HH12 ARG A 100 4.894 19.360 -23.779 1.00 44.22 H new ATOM 0 HH21 ARG A 100 4.644 17.441 -20.794 1.00 34.20 H new ATOM 0 HH22 ARG A 100 3.770 18.095 -22.182 1.00 34.20 H new ATOM 1585 N LEU A 101 10.168 17.963 -19.001 1.00 74.44 N ATOM 1586 CA LEU A 101 10.956 16.851 -19.505 1.00 70.05 C ATOM 1587 C LEU A 101 10.027 15.833 -20.170 1.00 64.05 C ATOM 1588 O LEU A 101 8.874 15.685 -19.769 1.00 60.34 O ATOM 1589 CB LEU A 101 11.821 16.258 -18.391 1.00 14.41 C ATOM 1590 CG LEU A 101 12.215 17.218 -17.266 1.00 63.13 C ATOM 1591 CD1 LEU A 101 13.041 16.500 -16.198 1.00 24.44 C ATOM 1592 CD2 LEU A 101 12.940 18.445 -17.822 1.00 1.40 C ATOM 0 H LEU A 101 9.569 17.736 -18.208 1.00 74.44 H new ATOM 0 HA LEU A 101 11.653 17.194 -20.269 1.00 70.05 H new ATOM 0 HB2 LEU A 101 11.287 15.415 -17.952 1.00 14.41 H new ATOM 0 HB3 LEU A 101 12.732 15.860 -18.838 1.00 14.41 H new ATOM 0 HG LEU A 101 11.304 17.573 -16.784 1.00 63.13 H new ATOM 0 HD11 LEU A 101 13.308 17.204 -15.410 1.00 24.44 H new ATOM 0 HD12 LEU A 101 12.456 15.685 -15.773 1.00 24.44 H new ATOM 0 HD13 LEU A 101 13.949 16.099 -16.649 1.00 24.44 H new ATOM 0 HD21 LEU A 101 13.209 19.111 -17.002 1.00 1.40 H new ATOM 0 HD22 LEU A 101 13.843 18.129 -18.344 1.00 1.40 H new ATOM 0 HD23 LEU A 101 12.285 18.971 -18.517 1.00 1.40 H new ATOM 1604 N GLU A 102 10.565 15.158 -21.176 1.00 30.33 N ATOM 1605 CA GLU A 102 9.799 14.158 -21.900 1.00 71.12 C ATOM 1606 C GLU A 102 9.747 12.851 -21.106 1.00 62.14 C ATOM 1607 O GLU A 102 10.674 12.535 -20.363 1.00 4.14 O ATOM 1608 CB GLU A 102 10.379 13.928 -23.297 1.00 5.40 C ATOM 1609 CG GLU A 102 10.726 15.257 -23.972 1.00 3.13 C ATOM 1610 CD GLU A 102 9.852 15.490 -25.206 1.00 65.40 C ATOM 1611 OE1 GLU A 102 9.525 16.642 -25.525 1.00 51.15 O ATOM 1612 OE2 GLU A 102 9.513 14.420 -25.843 1.00 43.52 O ATOM 0 H GLU A 102 11.522 15.284 -21.506 1.00 30.33 H new ATOM 0 HA GLU A 102 8.781 14.527 -22.022 1.00 71.12 H new ATOM 0 HB2 GLU A 102 11.273 13.308 -23.226 1.00 5.40 H new ATOM 0 HB3 GLU A 102 9.660 13.382 -23.908 1.00 5.40 H new ATOM 0 HG2 GLU A 102 10.588 16.075 -23.265 1.00 3.13 H new ATOM 0 HG3 GLU A 102 11.777 15.259 -24.261 1.00 3.13 H new ATOM 1620 N PRO A 103 8.625 12.107 -21.297 1.00 33.04 N ATOM 1621 CA PRO A 103 8.440 10.841 -20.607 1.00 51.42 C ATOM 1622 C PRO A 103 9.312 9.747 -21.226 1.00 52.23 C ATOM 1623 O PRO A 103 8.805 8.708 -21.647 1.00 40.40 O ATOM 1624 CB PRO A 103 6.952 10.548 -20.715 1.00 44.04 C ATOM 1625 CG PRO A 103 6.438 11.415 -21.853 1.00 2.31 C ATOM 1626 CD PRO A 103 7.506 12.450 -22.170 1.00 31.41 C ATOM 0 HA PRO A 103 8.749 10.882 -19.563 1.00 51.42 H new ATOM 0 HB2 PRO A 103 6.776 9.492 -20.918 1.00 44.04 H new ATOM 0 HB3 PRO A 103 6.439 10.783 -19.782 1.00 44.04 H new ATOM 0 HG2 PRO A 103 6.225 10.805 -22.731 1.00 2.31 H new ATOM 0 HG3 PRO A 103 5.505 11.903 -21.570 1.00 2.31 H new ATOM 0 HD2 PRO A 103 7.796 12.411 -23.220 1.00 31.41 H new ATOM 0 HD3 PRO A 103 7.148 13.461 -21.976 1.00 31.41 H new ATOM 1634 N HIS A 104 10.608 10.018 -21.262 1.00 63.23 N ATOM 1635 CA HIS A 104 11.556 9.069 -21.823 1.00 14.22 C ATOM 1636 C HIS A 104 12.907 9.756 -22.032 1.00 74.04 C ATOM 1637 O HIS A 104 13.951 9.191 -21.712 1.00 31.31 O ATOM 1638 CB HIS A 104 11.003 8.443 -23.105 1.00 43.30 C ATOM 1639 CG HIS A 104 10.392 7.077 -22.907 1.00 73.23 C ATOM 1640 ND1 HIS A 104 11.086 6.019 -22.347 1.00 71.42 N ATOM 1641 CD2 HIS A 104 9.145 6.608 -23.200 1.00 32.43 C ATOM 1642 CE1 HIS A 104 10.284 4.965 -22.310 1.00 74.10 C ATOM 1643 NE2 HIS A 104 9.081 5.332 -22.839 1.00 63.23 N ATOM 0 H HIS A 104 11.025 10.881 -20.912 1.00 63.23 H new ATOM 0 HA HIS A 104 11.711 8.247 -21.124 1.00 14.22 H new ATOM 0 HB2 HIS A 104 10.250 9.109 -23.527 1.00 43.30 H new ATOM 0 HB3 HIS A 104 11.807 8.367 -23.837 1.00 43.30 H new ATOM 0 HD2 HIS A 104 8.345 7.178 -23.649 1.00 32.43 H new ATOM 0 HE1 HIS A 104 10.538 3.987 -21.928 1.00 74.10 H new ATOM 0 HE2 HIS A 104 8.267 4.726 -22.940 1.00 63.23 H new ATOM 1651 N LYS A 105 12.842 10.966 -22.569 1.00 62.42 N ATOM 1652 CA LYS A 105 14.047 11.736 -22.826 1.00 25.35 C ATOM 1653 C LYS A 105 14.590 12.282 -21.503 1.00 34.50 C ATOM 1654 O LYS A 105 13.859 12.914 -20.742 1.00 73.21 O ATOM 1655 CB LYS A 105 13.779 12.818 -23.874 1.00 23.44 C ATOM 1656 CG LYS A 105 13.002 12.249 -25.062 1.00 72.33 C ATOM 1657 CD LYS A 105 13.422 12.927 -26.368 1.00 24.03 C ATOM 1658 CE LYS A 105 13.356 14.450 -26.240 1.00 4.20 C ATOM 1659 NZ LYS A 105 14.071 15.096 -27.364 1.00 22.13 N ATOM 0 H LYS A 105 11.974 11.432 -22.833 1.00 62.42 H new ATOM 0 HA LYS A 105 14.823 11.099 -23.251 1.00 25.35 H new ATOM 0 HB2 LYS A 105 13.215 13.634 -23.423 1.00 23.44 H new ATOM 0 HB3 LYS A 105 14.724 13.237 -24.220 1.00 23.44 H new ATOM 0 HG2 LYS A 105 13.175 11.175 -25.134 1.00 72.33 H new ATOM 0 HG3 LYS A 105 11.933 12.390 -24.903 1.00 72.33 H new ATOM 0 HD2 LYS A 105 14.436 12.624 -26.630 1.00 24.03 H new ATOM 0 HD3 LYS A 105 12.772 12.598 -27.178 1.00 24.03 H new ATOM 0 HE2 LYS A 105 12.316 14.775 -26.228 1.00 4.20 H new ATOM 0 HE3 LYS A 105 13.798 14.761 -25.293 1.00 4.20 H new ATOM 0 HZ1 LYS A 105 14.017 16.130 -27.262 1.00 22.13 H new ATOM 0 HZ2 LYS A 105 15.068 14.799 -27.358 1.00 22.13 H new ATOM 0 HZ3 LYS A 105 13.632 14.813 -28.263 1.00 22.13 H new ATOM 1672 N PRO A 106 15.901 12.010 -21.263 1.00 55.35 N ATOM 1673 CA PRO A 106 16.549 12.467 -20.046 1.00 40.22 C ATOM 1674 C PRO A 106 16.835 13.969 -20.108 1.00 21.14 C ATOM 1675 O PRO A 106 16.900 14.548 -21.191 1.00 11.33 O ATOM 1676 CB PRO A 106 17.810 11.626 -19.933 1.00 2.31 C ATOM 1677 CG PRO A 106 18.060 11.060 -21.321 1.00 51.44 C ATOM 1678 CD PRO A 106 16.797 11.264 -22.142 1.00 11.40 C ATOM 0 HA PRO A 106 15.922 12.342 -19.163 1.00 40.22 H new ATOM 0 HB2 PRO A 106 18.654 12.230 -19.600 1.00 2.31 H new ATOM 0 HB3 PRO A 106 17.682 10.827 -19.203 1.00 2.31 H new ATOM 0 HG2 PRO A 106 18.906 11.561 -21.791 1.00 51.44 H new ATOM 0 HG3 PRO A 106 18.310 10.001 -21.262 1.00 51.44 H new ATOM 0 HD2 PRO A 106 17.005 11.817 -23.058 1.00 11.40 H new ATOM 0 HD3 PRO A 106 16.359 10.311 -22.438 1.00 11.40 H new ATOM 1686 N GLN A 107 16.999 14.556 -18.931 1.00 51.34 N ATOM 1687 CA GLN A 107 17.277 15.979 -18.838 1.00 13.53 C ATOM 1688 C GLN A 107 18.324 16.246 -17.755 1.00 24.41 C ATOM 1689 O GLN A 107 18.054 16.070 -16.568 1.00 12.21 O ATOM 1690 CB GLN A 107 15.996 16.772 -18.568 1.00 30.42 C ATOM 1691 CG GLN A 107 16.315 18.142 -17.968 1.00 2.41 C ATOM 1692 CD GLN A 107 17.314 18.904 -18.842 1.00 14.33 C ATOM 1693 OE1 GLN A 107 17.214 18.939 -20.057 1.00 62.32 O ATOM 1694 NE2 GLN A 107 18.279 19.511 -18.157 1.00 12.31 N ATOM 0 H GLN A 107 16.945 14.072 -18.035 1.00 51.34 H new ATOM 0 HA GLN A 107 17.678 16.314 -19.795 1.00 13.53 H new ATOM 0 HB2 GLN A 107 15.440 16.899 -19.497 1.00 30.42 H new ATOM 0 HB3 GLN A 107 15.355 16.213 -17.886 1.00 30.42 H new ATOM 0 HG2 GLN A 107 15.397 18.722 -17.868 1.00 2.41 H new ATOM 0 HG3 GLN A 107 16.724 18.018 -16.965 1.00 2.41 H new ATOM 0 HE21 GLN A 107 18.304 19.441 -17.140 1.00 12.31 H new ATOM 0 HE22 GLN A 107 18.994 20.046 -18.649 1.00 12.31 H new ATOM 1703 N GLN A 108 19.499 16.665 -18.203 1.00 33.21 N ATOM 1704 CA GLN A 108 20.588 16.957 -17.287 1.00 63.20 C ATOM 1705 C GLN A 108 20.066 17.719 -16.067 1.00 65.12 C ATOM 1706 O GLN A 108 18.954 18.242 -16.087 1.00 54.33 O ATOM 1707 CB GLN A 108 21.699 17.740 -17.989 1.00 4.32 C ATOM 1708 CG GLN A 108 21.769 19.178 -17.469 1.00 60.33 C ATOM 1709 CD GLN A 108 22.837 19.979 -18.216 1.00 3.32 C ATOM 1710 OE1 GLN A 108 22.937 19.948 -19.431 1.00 42.13 O ATOM 1711 NE2 GLN A 108 23.628 20.697 -17.423 1.00 14.22 N ATOM 0 H GLN A 108 19.720 16.809 -19.188 1.00 33.21 H new ATOM 0 HA GLN A 108 21.013 16.013 -16.946 1.00 63.20 H new ATOM 0 HB2 GLN A 108 22.656 17.244 -17.828 1.00 4.32 H new ATOM 0 HB3 GLN A 108 21.521 17.747 -19.064 1.00 4.32 H new ATOM 0 HG2 GLN A 108 20.798 19.659 -17.588 1.00 60.33 H new ATOM 0 HG3 GLN A 108 21.993 19.172 -16.402 1.00 60.33 H new ATOM 0 HE21 GLN A 108 23.490 20.678 -16.413 1.00 14.22 H new ATOM 0 HE22 GLN A 108 24.372 21.266 -17.825 1.00 14.22 H new ATOM 1720 N ILE A 109 20.895 17.757 -15.034 1.00 62.11 N ATOM 1721 CA ILE A 109 20.531 18.446 -13.808 1.00 3.22 C ATOM 1722 C ILE A 109 21.752 19.191 -13.265 1.00 44.31 C ATOM 1723 O ILE A 109 22.693 18.572 -12.772 1.00 24.25 O ATOM 1724 CB ILE A 109 19.913 17.468 -12.807 1.00 14.31 C ATOM 1725 CG1 ILE A 109 18.941 16.513 -13.503 1.00 20.12 C ATOM 1726 CG2 ILE A 109 19.250 18.216 -11.648 1.00 21.11 C ATOM 1727 CD1 ILE A 109 17.626 17.219 -13.842 1.00 25.42 C ATOM 0 H ILE A 109 21.817 17.322 -15.021 1.00 62.11 H new ATOM 0 HA ILE A 109 19.762 19.193 -14.005 1.00 3.22 H new ATOM 0 HB ILE A 109 20.713 16.861 -12.383 1.00 14.31 H new ATOM 0 HG12 ILE A 109 19.396 16.126 -14.415 1.00 20.12 H new ATOM 0 HG13 ILE A 109 18.742 15.657 -12.858 1.00 20.12 H new ATOM 0 HG21 ILE A 109 18.819 17.498 -10.951 1.00 21.11 H new ATOM 0 HG22 ILE A 109 19.995 18.820 -11.131 1.00 21.11 H new ATOM 0 HG23 ILE A 109 18.463 18.863 -12.035 1.00 21.11 H new ATOM 0 HD11 ILE A 109 16.953 16.518 -14.336 1.00 25.42 H new ATOM 0 HD12 ILE A 109 17.162 17.583 -12.925 1.00 25.42 H new ATOM 0 HD13 ILE A 109 17.825 18.060 -14.506 1.00 25.42 H new ATOM 1739 N PRO A 110 21.696 20.545 -13.378 1.00 3.53 N ATOM 1740 CA PRO A 110 22.786 21.382 -12.904 1.00 61.41 C ATOM 1741 C PRO A 110 22.783 21.474 -11.377 1.00 32.21 C ATOM 1742 O PRO A 110 21.794 21.126 -10.733 1.00 4.44 O ATOM 1743 CB PRO A 110 22.573 22.726 -13.581 1.00 23.11 C ATOM 1744 CG PRO A 110 21.124 22.737 -14.038 1.00 52.35 C ATOM 1745 CD PRO A 110 20.598 21.314 -13.957 1.00 31.44 C ATOM 0 HA PRO A 110 23.767 20.977 -13.153 1.00 61.41 H new ATOM 0 HB2 PRO A 110 22.771 23.547 -12.891 1.00 23.11 H new ATOM 0 HB3 PRO A 110 23.250 22.849 -14.426 1.00 23.11 H new ATOM 0 HG2 PRO A 110 20.530 23.400 -13.408 1.00 52.35 H new ATOM 0 HG3 PRO A 110 21.048 23.114 -15.058 1.00 52.35 H new ATOM 0 HD2 PRO A 110 19.704 21.257 -13.336 1.00 31.44 H new ATOM 0 HD3 PRO A 110 20.326 20.936 -14.942 1.00 31.44 H new ATOM 1753 N ILE A 111 23.900 21.944 -10.842 1.00 0.10 N ATOM 1754 CA ILE A 111 24.038 22.087 -9.403 1.00 24.55 C ATOM 1755 C ILE A 111 23.146 23.232 -8.920 1.00 23.13 C ATOM 1756 O ILE A 111 22.865 24.164 -9.672 1.00 34.51 O ATOM 1757 CB ILE A 111 25.511 22.250 -9.019 1.00 54.14 C ATOM 1758 CG1 ILE A 111 26.378 21.197 -9.712 1.00 33.32 C ATOM 1759 CG2 ILE A 111 25.687 22.229 -7.500 1.00 3.32 C ATOM 1760 CD1 ILE A 111 25.843 19.787 -9.449 1.00 53.53 C ATOM 0 H ILE A 111 24.718 22.231 -11.379 1.00 0.10 H new ATOM 0 HA ILE A 111 23.699 21.183 -8.897 1.00 24.55 H new ATOM 0 HB ILE A 111 25.849 23.226 -9.368 1.00 54.14 H new ATOM 0 HG12 ILE A 111 26.400 21.387 -10.785 1.00 33.32 H new ATOM 0 HG13 ILE A 111 27.405 21.273 -9.354 1.00 33.32 H new ATOM 0 HG21 ILE A 111 26.742 22.347 -7.254 1.00 3.32 H new ATOM 0 HG22 ILE A 111 25.118 23.046 -7.056 1.00 3.32 H new ATOM 0 HG23 ILE A 111 25.326 21.279 -7.105 1.00 3.32 H new ATOM 0 HD11 ILE A 111 26.477 19.057 -9.953 1.00 53.53 H new ATOM 0 HD12 ILE A 111 25.845 19.591 -8.377 1.00 53.53 H new ATOM 0 HD13 ILE A 111 24.825 19.707 -9.830 1.00 53.53 H new ATOM 1772 N ASP A 112 22.727 23.125 -7.668 1.00 13.25 N ATOM 1773 CA ASP A 112 21.872 24.140 -7.075 1.00 43.44 C ATOM 1774 C ASP A 112 20.644 24.348 -7.963 1.00 51.34 C ATOM 1775 O ASP A 112 19.975 25.376 -7.873 1.00 13.43 O ATOM 1776 CB ASP A 112 22.605 25.479 -6.961 1.00 60.42 C ATOM 1777 CG ASP A 112 23.535 25.606 -5.753 1.00 35.14 C ATOM 1778 OD1 ASP A 112 23.337 26.467 -4.883 1.00 12.22 O ATOM 1779 OD2 ASP A 112 24.510 24.762 -5.724 1.00 10.22 O ATOM 0 H ASP A 112 22.963 22.351 -7.047 1.00 13.25 H new ATOM 0 HA ASP A 112 21.584 23.800 -6.080 1.00 43.44 H new ATOM 0 HB2 ASP A 112 23.189 25.635 -7.868 1.00 60.42 H new ATOM 0 HB3 ASP A 112 21.865 26.278 -6.917 1.00 60.42 H new ATOM 1785 N SER A 113 20.385 23.356 -8.802 1.00 34.32 N ATOM 1786 CA SER A 113 19.248 23.417 -9.705 1.00 64.25 C ATOM 1787 C SER A 113 17.954 23.135 -8.939 1.00 44.40 C ATOM 1788 O SER A 113 17.957 23.077 -7.710 1.00 73.04 O ATOM 1789 CB SER A 113 19.408 22.425 -10.859 1.00 64.22 C ATOM 1790 OG SER A 113 18.233 22.345 -11.661 1.00 62.23 O ATOM 0 H SER A 113 20.943 22.505 -8.876 1.00 34.32 H new ATOM 0 HA SER A 113 19.201 24.421 -10.127 1.00 64.25 H new ATOM 0 HB2 SER A 113 20.252 22.725 -11.481 1.00 64.22 H new ATOM 0 HB3 SER A 113 19.642 21.438 -10.459 1.00 64.22 H new ATOM 0 HG SER A 113 18.351 22.887 -12.469 1.00 62.23 H new ATOM 1796 N THR A 114 16.880 22.969 -9.696 1.00 62.43 N ATOM 1797 CA THR A 114 15.582 22.695 -9.104 1.00 30.22 C ATOM 1798 C THR A 114 14.689 21.948 -10.097 1.00 24.01 C ATOM 1799 O THR A 114 14.522 22.383 -11.235 1.00 61.33 O ATOM 1800 CB THR A 114 14.988 24.023 -8.633 1.00 14.45 C ATOM 1801 OG1 THR A 114 15.931 24.507 -7.680 1.00 51.54 O ATOM 1802 CG2 THR A 114 13.703 23.836 -7.822 1.00 63.14 C ATOM 0 H THR A 114 16.882 23.019 -10.715 1.00 62.43 H new ATOM 0 HA THR A 114 15.673 22.038 -8.239 1.00 30.22 H new ATOM 0 HB THR A 114 14.783 24.655 -9.497 1.00 14.45 H new ATOM 0 HG1 THR A 114 16.398 23.750 -7.269 1.00 51.54 H new ATOM 0 HG21 THR A 114 13.323 24.810 -7.512 1.00 63.14 H new ATOM 0 HG22 THR A 114 12.955 23.333 -8.436 1.00 63.14 H new ATOM 0 HG23 THR A 114 13.914 23.232 -6.940 1.00 63.14 H new ATOM 1810 N VAL A 115 14.140 20.837 -9.630 1.00 34.24 N ATOM 1811 CA VAL A 115 13.268 20.025 -10.462 1.00 42.44 C ATOM 1812 C VAL A 115 11.962 19.753 -9.713 1.00 42.43 C ATOM 1813 O VAL A 115 11.956 19.645 -8.488 1.00 63.10 O ATOM 1814 CB VAL A 115 13.992 18.746 -10.886 1.00 61.31 C ATOM 1815 CG1 VAL A 115 15.430 18.731 -10.364 1.00 21.10 C ATOM 1816 CG2 VAL A 115 13.227 17.504 -10.422 1.00 45.25 C ATOM 0 H VAL A 115 14.282 20.479 -8.685 1.00 34.24 H new ATOM 0 HA VAL A 115 13.011 20.556 -11.378 1.00 42.44 H new ATOM 0 HB VAL A 115 14.031 18.728 -11.975 1.00 61.31 H new ATOM 0 HG11 VAL A 115 15.922 17.811 -10.680 1.00 21.10 H new ATOM 0 HG12 VAL A 115 15.971 19.588 -10.765 1.00 21.10 H new ATOM 0 HG13 VAL A 115 15.422 18.783 -9.275 1.00 21.10 H new ATOM 0 HG21 VAL A 115 13.763 16.608 -10.736 1.00 45.25 H new ATOM 0 HG22 VAL A 115 13.142 17.514 -9.335 1.00 45.25 H new ATOM 0 HG23 VAL A 115 12.231 17.504 -10.864 1.00 45.25 H new ATOM 1826 N SER A 116 10.887 19.651 -10.481 1.00 22.11 N ATOM 1827 CA SER A 116 9.578 19.394 -9.905 1.00 62.32 C ATOM 1828 C SER A 116 8.864 18.298 -10.699 1.00 32.45 C ATOM 1829 O SER A 116 8.473 18.511 -11.845 1.00 73.11 O ATOM 1830 CB SER A 116 8.730 20.666 -9.876 1.00 14.42 C ATOM 1831 OG SER A 116 8.016 20.860 -11.094 1.00 10.41 O ATOM 0 H SER A 116 10.896 19.742 -11.497 1.00 22.11 H new ATOM 0 HA SER A 116 9.716 19.059 -8.877 1.00 62.32 H new ATOM 0 HB2 SER A 116 8.024 20.612 -9.047 1.00 14.42 H new ATOM 0 HB3 SER A 116 9.373 21.526 -9.692 1.00 14.42 H new ATOM 0 HG SER A 116 7.845 19.992 -11.515 1.00 10.41 H new ATOM 1837 N PHE A 117 8.715 17.148 -10.057 1.00 3.25 N ATOM 1838 CA PHE A 117 8.055 16.018 -10.688 1.00 12.32 C ATOM 1839 C PHE A 117 6.567 16.303 -10.903 1.00 30.00 C ATOM 1840 O PHE A 117 6.104 17.417 -10.665 1.00 12.32 O ATOM 1841 CB PHE A 117 8.202 14.827 -9.739 1.00 40.11 C ATOM 1842 CG PHE A 117 9.561 14.129 -9.823 1.00 72.23 C ATOM 1843 CD1 PHE A 117 10.705 14.865 -9.826 1.00 74.34 C ATOM 1844 CD2 PHE A 117 9.625 12.772 -9.895 1.00 51.20 C ATOM 1845 CE1 PHE A 117 11.966 14.217 -9.905 1.00 34.34 C ATOM 1846 CE2 PHE A 117 10.886 12.124 -9.973 1.00 40.13 C ATOM 1847 CZ PHE A 117 12.030 12.860 -9.976 1.00 53.14 C ATOM 0 H PHE A 117 9.040 16.975 -9.106 1.00 3.25 H new ATOM 0 HA PHE A 117 8.504 15.820 -11.661 1.00 12.32 H new ATOM 0 HB2 PHE A 117 8.043 15.169 -8.716 1.00 40.11 H new ATOM 0 HB3 PHE A 117 7.418 14.102 -9.958 1.00 40.11 H new ATOM 0 HD1 PHE A 117 10.654 15.942 -9.768 1.00 74.34 H new ATOM 0 HD2 PHE A 117 8.717 12.188 -9.893 1.00 51.20 H new ATOM 0 HE1 PHE A 117 12.874 14.801 -9.909 1.00 34.34 H new ATOM 0 HE2 PHE A 117 10.937 11.047 -10.030 1.00 40.13 H new ATOM 0 HZ PHE A 117 12.989 12.367 -10.035 1.00 53.14 H new ATOM 1857 N GLY A 118 5.860 15.276 -11.351 1.00 15.30 N ATOM 1858 CA GLY A 118 4.434 15.402 -11.601 1.00 13.11 C ATOM 1859 C GLY A 118 3.713 15.983 -10.383 1.00 34.43 C ATOM 1860 O GLY A 118 3.551 17.197 -10.273 1.00 3.02 O ATOM 0 H GLY A 118 6.248 14.353 -11.547 1.00 15.30 H new ATOM 0 HA2 GLY A 118 4.268 16.044 -12.466 1.00 13.11 H new ATOM 0 HA3 GLY A 118 4.016 14.425 -11.844 1.00 13.11 H new ATOM 1864 N ALA A 119 3.298 15.087 -9.498 1.00 40.43 N ATOM 1865 CA ALA A 119 2.598 15.496 -8.292 1.00 71.42 C ATOM 1866 C ALA A 119 3.564 16.253 -7.379 1.00 14.03 C ATOM 1867 O ALA A 119 3.435 17.463 -7.200 1.00 54.21 O ATOM 1868 CB ALA A 119 1.994 14.266 -7.611 1.00 65.40 C ATOM 0 H ALA A 119 3.433 14.080 -9.592 1.00 40.43 H new ATOM 0 HA ALA A 119 1.777 16.171 -8.534 1.00 71.42 H new ATOM 0 HB1 ALA A 119 1.469 14.572 -6.706 1.00 65.40 H new ATOM 0 HB2 ALA A 119 1.293 13.781 -8.291 1.00 65.40 H new ATOM 0 HB3 ALA A 119 2.789 13.567 -7.350 1.00 65.40 H new ATOM 1874 N SER A 120 4.510 15.509 -6.824 1.00 54.34 N ATOM 1875 CA SER A 120 5.497 16.095 -5.934 1.00 12.53 C ATOM 1876 C SER A 120 5.869 17.499 -6.416 1.00 70.13 C ATOM 1877 O SER A 120 6.702 17.652 -7.308 1.00 60.13 O ATOM 1878 CB SER A 120 6.746 15.217 -5.842 1.00 1.13 C ATOM 1879 OG SER A 120 6.918 14.410 -7.004 1.00 3.52 O ATOM 0 H SER A 120 4.613 14.505 -6.974 1.00 54.34 H new ATOM 0 HA SER A 120 5.060 16.164 -4.938 1.00 12.53 H new ATOM 0 HB2 SER A 120 7.624 15.849 -5.706 1.00 1.13 H new ATOM 0 HB3 SER A 120 6.675 14.576 -4.963 1.00 1.13 H new ATOM 0 HG SER A 120 7.819 14.025 -7.005 1.00 3.52 H new ATOM 1885 N THR A 121 5.233 18.488 -5.805 1.00 64.13 N ATOM 1886 CA THR A 121 5.487 19.874 -6.161 1.00 63.44 C ATOM 1887 C THR A 121 6.852 20.319 -5.633 1.00 23.52 C ATOM 1888 O THR A 121 7.270 21.453 -5.859 1.00 51.12 O ATOM 1889 CB THR A 121 4.326 20.718 -5.632 1.00 62.05 C ATOM 1890 OG1 THR A 121 4.124 20.238 -4.306 1.00 74.33 O ATOM 1891 CG2 THR A 121 3.007 20.412 -6.345 1.00 63.12 C ATOM 0 H THR A 121 4.542 18.357 -5.066 1.00 64.13 H new ATOM 0 HA THR A 121 5.535 20.002 -7.242 1.00 63.44 H new ATOM 0 HB THR A 121 4.564 21.775 -5.748 1.00 62.05 H new ATOM 0 HG1 THR A 121 3.389 20.733 -3.887 1.00 74.33 H new ATOM 0 HG21 THR A 121 2.216 21.038 -5.932 1.00 63.12 H new ATOM 0 HG22 THR A 121 3.113 20.618 -7.410 1.00 63.12 H new ATOM 0 HG23 THR A 121 2.751 19.362 -6.202 1.00 63.12 H new ATOM 1899 N ARG A 122 7.510 19.401 -4.939 1.00 11.55 N ATOM 1900 CA ARG A 122 8.819 19.685 -4.376 1.00 2.01 C ATOM 1901 C ARG A 122 9.717 20.342 -5.426 1.00 64.52 C ATOM 1902 O ARG A 122 9.327 20.477 -6.585 1.00 11.34 O ATOM 1903 CB ARG A 122 9.489 18.406 -3.869 1.00 4.51 C ATOM 1904 CG ARG A 122 8.594 17.679 -2.864 1.00 54.21 C ATOM 1905 CD ARG A 122 7.953 18.666 -1.886 1.00 53.22 C ATOM 1906 NE ARG A 122 7.169 17.932 -0.867 1.00 43.52 N ATOM 1907 CZ ARG A 122 7.717 17.187 0.116 1.00 72.42 C ATOM 1908 NH1 ARG A 122 9.058 17.069 0.221 1.00 14.30 N ATOM 1909 NH2 ARG A 122 6.921 16.574 0.973 1.00 64.44 N ATOM 0 H ARG A 122 7.161 18.461 -4.754 1.00 11.55 H new ATOM 0 HA ARG A 122 8.679 20.366 -3.536 1.00 2.01 H new ATOM 0 HB2 ARG A 122 9.707 17.748 -4.710 1.00 4.51 H new ATOM 0 HB3 ARG A 122 10.442 18.652 -3.401 1.00 4.51 H new ATOM 0 HG2 ARG A 122 7.816 17.130 -3.395 1.00 54.21 H new ATOM 0 HG3 ARG A 122 9.182 16.945 -2.313 1.00 54.21 H new ATOM 0 HD2 ARG A 122 8.725 19.264 -1.402 1.00 53.22 H new ATOM 0 HD3 ARG A 122 7.306 19.357 -2.426 1.00 53.22 H new ATOM 0 HE ARG A 122 6.152 17.993 -0.911 1.00 43.52 H new ATOM 0 HH11 ARG A 122 9.666 17.545 -0.446 1.00 14.30 H new ATOM 0 HH12 ARG A 122 9.463 16.504 0.967 1.00 14.30 H new ATOM 0 HH21 ARG A 122 5.909 16.668 0.886 1.00 64.44 H new ATOM 0 HH22 ARG A 122 7.318 16.007 1.722 1.00 64.44 H new ATOM 1922 N ALA A 123 10.904 20.731 -4.984 1.00 12.44 N ATOM 1923 CA ALA A 123 11.861 21.370 -5.871 1.00 13.40 C ATOM 1924 C ALA A 123 13.233 20.719 -5.688 1.00 50.03 C ATOM 1925 O ALA A 123 14.192 21.383 -5.298 1.00 62.14 O ATOM 1926 CB ALA A 123 11.888 22.875 -5.594 1.00 71.14 C ATOM 0 H ALA A 123 11.225 20.616 -4.023 1.00 12.44 H new ATOM 0 HA ALA A 123 11.568 21.235 -6.912 1.00 13.40 H new ATOM 0 HB1 ALA A 123 12.606 23.355 -6.259 1.00 71.14 H new ATOM 0 HB2 ALA A 123 10.897 23.295 -5.767 1.00 71.14 H new ATOM 0 HB3 ALA A 123 12.180 23.049 -4.559 1.00 71.14 H new ATOM 1932 N TYR A 124 13.283 19.427 -5.979 1.00 12.33 N ATOM 1933 CA TYR A 124 14.522 18.679 -5.851 1.00 73.23 C ATOM 1934 C TYR A 124 15.726 19.543 -6.230 1.00 0.32 C ATOM 1935 O TYR A 124 16.053 19.677 -7.408 1.00 60.10 O ATOM 1936 CB TYR A 124 14.414 17.515 -6.838 1.00 64.33 C ATOM 1937 CG TYR A 124 13.366 16.468 -6.455 1.00 4.24 C ATOM 1938 CD1 TYR A 124 12.558 16.672 -5.355 1.00 11.23 C ATOM 1939 CD2 TYR A 124 13.229 15.320 -7.208 1.00 44.21 C ATOM 1940 CE1 TYR A 124 11.571 15.687 -4.994 1.00 5.35 C ATOM 1941 CE2 TYR A 124 12.243 14.335 -6.847 1.00 0.20 C ATOM 1942 CZ TYR A 124 11.463 14.567 -5.758 1.00 13.45 C ATOM 1943 OH TYR A 124 10.531 13.637 -5.416 1.00 41.24 O ATOM 0 H TYR A 124 12.486 18.880 -6.303 1.00 12.33 H new ATOM 0 HA TYR A 124 14.665 18.345 -4.823 1.00 73.23 H new ATOM 0 HB2 TYR A 124 14.174 17.910 -7.825 1.00 64.33 H new ATOM 0 HB3 TYR A 124 15.386 17.029 -6.918 1.00 64.33 H new ATOM 0 HD1 TYR A 124 12.666 17.570 -4.765 1.00 11.23 H new ATOM 0 HD2 TYR A 124 13.862 15.160 -8.069 1.00 44.21 H new ATOM 0 HE1 TYR A 124 10.931 15.834 -4.136 1.00 5.35 H new ATOM 0 HE2 TYR A 124 12.126 13.432 -7.428 1.00 0.20 H new ATOM 0 HH TYR A 124 10.565 12.891 -6.050 1.00 41.24 H new ATOM 1953 N THR A 125 16.353 20.108 -5.208 1.00 50.03 N ATOM 1954 CA THR A 125 17.514 20.956 -5.419 1.00 60.00 C ATOM 1955 C THR A 125 18.796 20.121 -5.395 1.00 73.23 C ATOM 1956 O THR A 125 19.358 19.871 -4.331 1.00 24.25 O ATOM 1957 CB THR A 125 17.490 22.062 -4.362 1.00 72.11 C ATOM 1958 OG1 THR A 125 16.482 22.958 -4.821 1.00 15.44 O ATOM 1959 CG2 THR A 125 18.767 22.904 -4.366 1.00 42.14 C ATOM 0 H THR A 125 16.079 19.995 -4.232 1.00 50.03 H new ATOM 0 HA THR A 125 17.487 21.425 -6.402 1.00 60.00 H new ATOM 0 HB THR A 125 17.351 21.619 -3.376 1.00 72.11 H new ATOM 0 HG1 THR A 125 15.650 22.464 -4.974 1.00 15.44 H new ATOM 0 HG21 THR A 125 18.698 23.674 -3.597 1.00 42.14 H new ATOM 0 HG22 THR A 125 19.625 22.264 -4.162 1.00 42.14 H new ATOM 0 HG23 THR A 125 18.889 23.375 -5.341 1.00 42.14 H new ATOM 1967 N LEU A 126 19.220 19.712 -6.582 1.00 53.32 N ATOM 1968 CA LEU A 126 20.425 18.910 -6.711 1.00 55.52 C ATOM 1969 C LEU A 126 21.641 19.762 -6.341 1.00 73.11 C ATOM 1970 O LEU A 126 22.028 20.656 -7.091 1.00 42.34 O ATOM 1971 CB LEU A 126 20.509 18.292 -8.108 1.00 22.51 C ATOM 1972 CG LEU A 126 21.843 17.635 -8.471 1.00 33.12 C ATOM 1973 CD1 LEU A 126 22.834 18.668 -9.010 1.00 53.23 C ATOM 1974 CD2 LEU A 126 22.414 16.859 -7.282 1.00 14.41 C ATOM 0 H LEU A 126 18.750 19.921 -7.463 1.00 53.32 H new ATOM 0 HA LEU A 126 20.401 18.070 -6.017 1.00 55.52 H new ATOM 0 HB2 LEU A 126 19.721 17.545 -8.201 1.00 22.51 H new ATOM 0 HB3 LEU A 126 20.298 19.070 -8.841 1.00 22.51 H new ATOM 0 HG LEU A 126 21.663 16.915 -9.269 1.00 33.12 H new ATOM 0 HD11 LEU A 126 23.773 18.175 -9.260 1.00 53.23 H new ATOM 0 HD12 LEU A 126 22.421 19.137 -9.903 1.00 53.23 H new ATOM 0 HD13 LEU A 126 23.015 19.429 -8.251 1.00 53.23 H new ATOM 0 HD21 LEU A 126 23.362 16.402 -7.567 1.00 14.41 H new ATOM 0 HD22 LEU A 126 22.576 17.540 -6.447 1.00 14.41 H new ATOM 0 HD23 LEU A 126 21.711 16.081 -6.984 1.00 14.41 H new ATOM 1986 N ARG A 127 22.209 19.454 -5.185 1.00 32.24 N ATOM 1987 CA ARG A 127 23.373 20.180 -4.706 1.00 21.52 C ATOM 1988 C ARG A 127 24.654 19.420 -5.057 1.00 33.40 C ATOM 1989 O ARG A 127 24.608 18.409 -5.757 1.00 41.43 O ATOM 1990 CB ARG A 127 23.309 20.385 -3.191 1.00 43.21 C ATOM 1991 CG ARG A 127 23.545 21.852 -2.827 1.00 2.34 C ATOM 1992 CD ARG A 127 22.336 22.712 -3.201 1.00 60.35 C ATOM 1993 NE ARG A 127 21.250 22.516 -2.215 1.00 24.41 N ATOM 1994 CZ ARG A 127 21.135 23.217 -1.067 1.00 52.03 C ATOM 1995 NH1 ARG A 127 22.039 24.168 -0.752 1.00 2.33 N ATOM 1996 NH2 ARG A 127 20.124 22.959 -0.258 1.00 63.33 N ATOM 0 H ARG A 127 21.885 18.711 -4.566 1.00 32.24 H new ATOM 0 HA ARG A 127 23.380 21.155 -5.193 1.00 21.52 H new ATOM 0 HB2 ARG A 127 22.336 20.066 -2.818 1.00 43.21 H new ATOM 0 HB3 ARG A 127 24.058 19.760 -2.704 1.00 43.21 H new ATOM 0 HG2 ARG A 127 23.740 21.938 -1.758 1.00 2.34 H new ATOM 0 HG3 ARG A 127 24.431 22.220 -3.344 1.00 2.34 H new ATOM 0 HD2 ARG A 127 22.623 23.763 -3.234 1.00 60.35 H new ATOM 0 HD3 ARG A 127 21.985 22.446 -4.198 1.00 60.35 H new ATOM 0 HE ARG A 127 20.544 21.807 -2.415 1.00 24.41 H new ATOM 0 HH11 ARG A 127 22.816 24.362 -1.383 1.00 2.33 H new ATOM 0 HH12 ARG A 127 21.945 24.693 0.117 1.00 2.33 H new ATOM 0 HH21 ARG A 127 19.445 22.239 -0.504 1.00 63.33 H new ATOM 0 HH22 ARG A 127 20.022 23.479 0.613 1.00 63.33 H new ATOM 2009 N GLU A 128 25.766 19.935 -4.554 1.00 62.34 N ATOM 2010 CA GLU A 128 27.057 19.317 -4.806 1.00 42.23 C ATOM 2011 C GLU A 128 28.054 19.707 -3.713 1.00 43.03 C ATOM 2012 O GLU A 128 28.541 20.837 -3.686 1.00 34.51 O ATOM 2013 CB GLU A 128 27.586 19.697 -6.191 1.00 74.41 C ATOM 2014 CG GLU A 128 29.095 19.464 -6.285 1.00 31.23 C ATOM 2015 CD GLU A 128 29.566 19.503 -7.740 1.00 23.52 C ATOM 2016 OE1 GLU A 128 29.315 18.554 -8.498 1.00 51.44 O ATOM 2017 OE2 GLU A 128 30.215 20.566 -8.075 1.00 1.14 O ATOM 0 H GLU A 128 25.800 20.773 -3.973 1.00 62.34 H new ATOM 0 HA GLU A 128 26.930 18.235 -4.786 1.00 42.23 H new ATOM 0 HB2 GLU A 128 27.075 19.108 -6.953 1.00 74.41 H new ATOM 0 HB3 GLU A 128 27.363 20.744 -6.395 1.00 74.41 H new ATOM 0 HG2 GLU A 128 29.621 20.225 -5.708 1.00 31.23 H new ATOM 0 HG3 GLU A 128 29.346 18.500 -5.843 1.00 31.23 H new ATOM 2025 N LYS A 129 28.329 18.750 -2.839 1.00 1.31 N ATOM 2026 CA LYS A 129 29.260 18.979 -1.747 1.00 15.44 C ATOM 2027 C LYS A 129 30.401 19.873 -2.234 1.00 44.51 C ATOM 2028 O LYS A 129 31.351 19.393 -2.851 1.00 30.12 O ATOM 2029 CB LYS A 129 29.730 17.649 -1.155 1.00 73.02 C ATOM 2030 CG LYS A 129 28.558 16.875 -0.547 1.00 63.22 C ATOM 2031 CD LYS A 129 29.057 15.726 0.332 1.00 45.15 C ATOM 2032 CE LYS A 129 30.086 16.222 1.350 1.00 33.12 C ATOM 2033 NZ LYS A 129 29.629 17.483 1.976 1.00 35.44 N ATOM 0 H LYS A 129 27.924 17.814 -2.865 1.00 1.31 H new ATOM 0 HA LYS A 129 28.767 19.507 -0.931 1.00 15.44 H new ATOM 0 HB2 LYS A 129 30.204 17.048 -1.932 1.00 73.02 H new ATOM 0 HB3 LYS A 129 30.484 17.834 -0.390 1.00 73.02 H new ATOM 0 HG2 LYS A 129 27.941 17.550 0.046 1.00 63.22 H new ATOM 0 HG3 LYS A 129 27.926 16.481 -1.343 1.00 63.22 H new ATOM 0 HD2 LYS A 129 28.215 15.270 0.853 1.00 45.15 H new ATOM 0 HD3 LYS A 129 29.502 14.952 -0.293 1.00 45.15 H new ATOM 0 HE2 LYS A 129 30.242 15.464 2.117 1.00 33.12 H new ATOM 0 HE3 LYS A 129 31.046 16.380 0.858 1.00 33.12 H new ATOM 0 HZ1 LYS A 129 30.072 17.587 2.911 1.00 35.44 H new ATOM 0 HZ2 LYS A 129 29.899 18.287 1.374 1.00 35.44 H new ATOM 0 HZ3 LYS A 129 28.595 17.462 2.083 1.00 35.44 H new ATOM 2046 N PRO A 130 30.268 21.193 -1.931 1.00 70.43 N ATOM 2047 CA PRO A 130 31.277 22.158 -2.332 1.00 1.22 C ATOM 2048 C PRO A 130 32.523 22.047 -1.451 1.00 22.51 C ATOM 2049 O PRO A 130 32.722 21.038 -0.775 1.00 72.04 O ATOM 2050 CB PRO A 130 30.592 23.511 -2.223 1.00 63.24 C ATOM 2051 CG PRO A 130 29.383 23.295 -1.327 1.00 44.45 C ATOM 2052 CD PRO A 130 29.157 21.798 -1.202 1.00 60.44 C ATOM 0 HA PRO A 130 31.640 21.990 -3.346 1.00 1.22 H new ATOM 0 HB2 PRO A 130 31.265 24.256 -1.798 1.00 63.24 H new ATOM 0 HB3 PRO A 130 30.290 23.876 -3.205 1.00 63.24 H new ATOM 0 HG2 PRO A 130 29.551 23.739 -0.346 1.00 44.45 H new ATOM 0 HG3 PRO A 130 28.503 23.780 -1.750 1.00 44.45 H new ATOM 0 HD2 PRO A 130 29.151 21.484 -0.158 1.00 60.44 H new ATOM 0 HD3 PRO A 130 28.197 21.505 -1.628 1.00 60.44 H new ATOM 2060 N GLN A 131 33.330 23.097 -1.487 1.00 21.24 N ATOM 2061 CA GLN A 131 34.551 23.129 -0.700 1.00 2.41 C ATOM 2062 C GLN A 131 34.223 23.320 0.782 1.00 32.53 C ATOM 2063 O GLN A 131 33.262 24.007 1.126 1.00 44.13 O ATOM 2064 CB GLN A 131 35.495 24.226 -1.197 1.00 52.14 C ATOM 2065 CG GLN A 131 36.957 23.837 -0.970 1.00 32.54 C ATOM 2066 CD GLN A 131 37.576 23.261 -2.245 1.00 51.10 C ATOM 2067 OE1 GLN A 131 38.732 23.488 -2.562 1.00 21.14 O ATOM 2068 NE2 GLN A 131 36.744 22.506 -2.957 1.00 23.21 N ATOM 0 H GLN A 131 33.162 23.932 -2.049 1.00 21.24 H new ATOM 0 HA GLN A 131 35.061 22.173 -0.819 1.00 2.41 H new ATOM 0 HB2 GLN A 131 35.323 24.405 -2.258 1.00 52.14 H new ATOM 0 HB3 GLN A 131 35.279 25.159 -0.677 1.00 52.14 H new ATOM 0 HG2 GLN A 131 37.524 24.711 -0.649 1.00 32.54 H new ATOM 0 HG3 GLN A 131 37.021 23.103 -0.167 1.00 32.54 H new ATOM 0 HE21 GLN A 131 35.788 22.356 -2.634 1.00 23.21 H new ATOM 0 HE22 GLN A 131 37.062 22.077 -3.826 1.00 23.21 H new ATOM 2077 N THR A 132 35.039 22.698 1.621 1.00 52.01 N ATOM 2078 CA THR A 132 34.847 22.790 3.058 1.00 0.23 C ATOM 2079 C THR A 132 35.737 23.887 3.646 1.00 63.12 C ATOM 2080 O THR A 132 36.949 23.887 3.435 1.00 1.30 O ATOM 2081 CB THR A 132 35.109 21.408 3.660 1.00 73.13 C ATOM 2082 OG1 THR A 132 36.443 21.104 3.263 1.00 21.32 O ATOM 2083 CG2 THR A 132 34.266 20.314 3.001 1.00 33.25 C ATOM 0 H THR A 132 35.834 22.128 1.333 1.00 52.01 H new ATOM 0 HA THR A 132 33.825 23.078 3.302 1.00 0.23 H new ATOM 0 HB THR A 132 34.901 21.432 4.730 1.00 73.13 H new ATOM 0 HG1 THR A 132 36.965 21.931 3.211 1.00 21.32 H new ATOM 0 HG21 THR A 132 34.490 19.353 3.465 1.00 33.25 H new ATOM 0 HG22 THR A 132 33.208 20.542 3.131 1.00 33.25 H new ATOM 0 HG23 THR A 132 34.499 20.267 1.937 1.00 33.25 H new TER 2091 THR A 132