USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 954 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 115 TYR OH : rot -15:sc= 0.878 USER MOD Set 1.2: A 150 HIS : no HD1:sc= -0.257 K(o=1.1,f=0.46) USER MOD Set 1.3: A 153 THR OG1 : rot -43:sc= 0.495 USER MOD Set 2.1: A 125 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 136 HIS : no HD1:sc= 0 X(o=0,f=0.014) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 1.25 (180deg=1.01) USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00531 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -1.18 USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.11) USER MOD Single : A 40 HIS : no HE2:sc= 0.947 K(o=0.95,f=-4.6!) USER MOD Single : A 41 HIS : no HD1:sc= -0.646 K(o=-0.65,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 32:sc= 0.0911 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.88! K(o=-2.9!,f=-0.0052) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.371 K(o=0.37,f=-4.9!) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.09) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= 1.42 (180deg=1.16) USER MOD Single : A 99 LYS NZ :NH3+ 138:sc= 1.07 (180deg=0.531) USER MOD Single : A 100 ASN : amide:sc= -1.57! C(o=-1.6!,f=-3.5!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -113:sc= -1.57 (180deg=-7.37!) USER MOD Single : A 113 LYS NZ :NH3+ 168:sc= -0.0163 (180deg=-0.178) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 123 GLN : amide:sc= 0.723 K(o=0.72,f=-0.42) USER MOD Single : A 127 LYS NZ :NH3+ -170:sc=-0.00599 (180deg=-0.114) USER MOD Single : A 133 SER OG : rot -30:sc= 0.013 USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 TYR OH : rot 65:sc= 0.024 USER MOD Single : A 143 LYS NZ :NH3+ -166:sc=-0.00742 (180deg=-0.144) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 158 CYS SG : rot 51:sc= 0.519 USER MOD Single : A 162 SER OG : rot 77:sc= -0.0453 USER MOD Single : A 163 LYS NZ :NH3+ -166:sc= -0.0325 (180deg=-0.221) USER MOD Single : A 168 HIS : no HE2:sc= 1.16 K(o=1.2,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 22 -6.275 -23.881 4.067 1.00 10.22 N ATOM 63 CA LEU A 22 -6.683 -22.706 3.263 1.00 75.43 C ATOM 64 C LEU A 22 -5.944 -21.420 3.655 1.00 34.21 C ATOM 65 O LEU A 22 -6.300 -20.337 3.218 1.00 35.21 O ATOM 66 CB LEU A 22 -8.185 -22.521 3.348 1.00 44.01 C ATOM 67 CG LEU A 22 -9.005 -23.667 2.787 1.00 1.43 C ATOM 68 CD1 LEU A 22 -10.432 -23.505 3.183 1.00 54.30 C ATOM 69 CD2 LEU A 22 -8.887 -23.709 1.274 1.00 70.14 C ATOM 0 HA LEU A 22 -6.400 -22.908 2.230 1.00 75.43 H new ATOM 0 HB2 LEU A 22 -8.459 -22.375 4.393 1.00 44.01 H new ATOM 0 HB3 LEU A 22 -8.454 -21.608 2.817 1.00 44.01 H new ATOM 0 HG LEU A 22 -8.624 -24.605 3.192 1.00 1.43 H new ATOM 0 HD11 LEU A 22 -11.018 -24.330 2.778 1.00 54.30 H new ATOM 0 HD12 LEU A 22 -10.510 -23.504 4.270 1.00 54.30 H new ATOM 0 HD13 LEU A 22 -10.814 -22.562 2.791 1.00 54.30 H new ATOM 0 HD21 LEU A 22 -9.481 -24.536 0.886 1.00 70.14 H new ATOM 0 HD22 LEU A 22 -9.253 -22.772 0.854 1.00 70.14 H new ATOM 0 HD23 LEU A 22 -7.843 -23.849 0.994 1.00 70.14 H new ATOM 81 N VAL A 23 -4.895 -21.554 4.431 1.00 43.42 N ATOM 82 CA VAL A 23 -4.122 -20.411 4.856 1.00 62.14 C ATOM 83 C VAL A 23 -3.286 -19.881 3.674 1.00 14.33 C ATOM 84 O VAL A 23 -2.937 -20.648 2.740 1.00 41.20 O ATOM 85 CB VAL A 23 -3.211 -20.761 6.074 1.00 55.24 C ATOM 86 CG1 VAL A 23 -2.148 -21.792 5.717 1.00 5.21 C ATOM 87 CG2 VAL A 23 -2.599 -19.515 6.694 1.00 63.31 C ATOM 0 H VAL A 23 -4.555 -22.449 4.783 1.00 43.42 H new ATOM 0 HA VAL A 23 -4.808 -19.630 5.182 1.00 62.14 H new ATOM 0 HB VAL A 23 -3.853 -21.217 6.828 1.00 55.24 H new ATOM 0 HG11 VAL A 23 -1.538 -22.005 6.595 1.00 5.21 H new ATOM 0 HG12 VAL A 23 -2.630 -22.709 5.379 1.00 5.21 H new ATOM 0 HG13 VAL A 23 -1.514 -21.401 4.921 1.00 5.21 H new ATOM 0 HG21 VAL A 23 -1.972 -19.800 7.539 1.00 63.31 H new ATOM 0 HG22 VAL A 23 -1.993 -18.998 5.950 1.00 63.31 H new ATOM 0 HG23 VAL A 23 -3.393 -18.853 7.039 1.00 63.31 H new ATOM 97 N GLY A 24 -3.017 -18.596 3.667 1.00 2.12 N ATOM 98 CA GLY A 24 -2.256 -18.033 2.614 1.00 30.21 C ATOM 99 C GLY A 24 -1.344 -16.931 3.056 1.00 5.55 C ATOM 100 O GLY A 24 -1.772 -15.964 3.675 1.00 61.44 O ATOM 0 H GLY A 24 -3.320 -17.936 4.383 1.00 2.12 H new ATOM 0 HA2 GLY A 24 -1.663 -18.818 2.146 1.00 30.21 H new ATOM 0 HA3 GLY A 24 -2.934 -17.648 1.852 1.00 30.21 H new ATOM 104 N LYS A 25 -0.108 -17.076 2.755 1.00 72.13 N ATOM 105 CA LYS A 25 0.864 -16.059 3.001 1.00 51.12 C ATOM 106 C LYS A 25 1.672 -15.815 1.789 1.00 13.42 C ATOM 107 O LYS A 25 1.751 -16.667 0.897 1.00 22.20 O ATOM 108 CB LYS A 25 1.853 -16.422 4.072 1.00 11.22 C ATOM 109 CG LYS A 25 1.384 -16.429 5.495 1.00 21.42 C ATOM 110 CD LYS A 25 2.576 -16.744 6.399 1.00 4.41 C ATOM 111 CE LYS A 25 3.765 -15.806 6.094 1.00 34.10 C ATOM 112 NZ LYS A 25 4.935 -16.069 6.960 1.00 3.44 N ATOM 0 H LYS A 25 0.272 -17.918 2.322 1.00 72.13 H new ATOM 0 HA LYS A 25 0.285 -15.189 3.310 1.00 51.12 H new ATOM 0 HB2 LYS A 25 2.241 -17.415 3.844 1.00 11.22 H new ATOM 0 HB3 LYS A 25 2.691 -15.728 4.001 1.00 11.22 H new ATOM 0 HG2 LYS A 25 0.956 -15.462 5.757 1.00 21.42 H new ATOM 0 HG3 LYS A 25 0.599 -17.173 5.631 1.00 21.42 H new ATOM 0 HD2 LYS A 25 2.283 -16.638 7.443 1.00 4.41 H new ATOM 0 HD3 LYS A 25 2.881 -17.781 6.257 1.00 4.41 H new ATOM 0 HE2 LYS A 25 4.057 -15.923 5.050 1.00 34.10 H new ATOM 0 HE3 LYS A 25 3.448 -14.771 6.222 1.00 34.10 H new ATOM 0 HZ1 LYS A 25 5.801 -15.753 6.479 1.00 3.44 H new ATOM 0 HZ2 LYS A 25 4.827 -15.551 7.856 1.00 3.44 H new ATOM 0 HZ3 LYS A 25 5.000 -17.088 7.155 1.00 3.44 H new ATOM 126 N LEU A 26 2.223 -14.648 1.726 1.00 11.31 N ATOM 127 CA LEU A 26 3.228 -14.345 0.773 1.00 71.11 C ATOM 128 C LEU A 26 4.085 -13.251 1.342 1.00 22.30 C ATOM 129 O LEU A 26 3.581 -12.301 1.903 1.00 23.13 O ATOM 130 CB LEU A 26 2.652 -13.962 -0.597 1.00 23.33 C ATOM 131 CG LEU A 26 3.675 -13.646 -1.699 1.00 1.24 C ATOM 132 CD1 LEU A 26 4.532 -14.863 -2.018 1.00 73.32 C ATOM 133 CD2 LEU A 26 2.977 -13.137 -2.944 1.00 73.01 C ATOM 0 H LEU A 26 1.983 -13.872 2.343 1.00 11.31 H new ATOM 0 HA LEU A 26 3.827 -15.237 0.588 1.00 71.11 H new ATOM 0 HB2 LEU A 26 2.018 -14.778 -0.942 1.00 23.33 H new ATOM 0 HB3 LEU A 26 2.009 -13.092 -0.467 1.00 23.33 H new ATOM 0 HG LEU A 26 4.336 -12.861 -1.331 1.00 1.24 H new ATOM 0 HD11 LEU A 26 5.247 -14.610 -2.801 1.00 73.32 H new ATOM 0 HD12 LEU A 26 5.070 -15.174 -1.123 1.00 73.32 H new ATOM 0 HD13 LEU A 26 3.894 -15.678 -2.359 1.00 73.32 H new ATOM 0 HD21 LEU A 26 3.718 -12.919 -3.713 1.00 73.01 H new ATOM 0 HD22 LEU A 26 2.287 -13.897 -3.310 1.00 73.01 H new ATOM 0 HD23 LEU A 26 2.424 -12.229 -2.705 1.00 73.01 H new ATOM 145 N GLU A 27 5.357 -13.409 1.251 1.00 72.33 N ATOM 146 CA GLU A 27 6.261 -12.418 1.752 1.00 3.32 C ATOM 147 C GLU A 27 7.270 -12.106 0.702 1.00 22.52 C ATOM 148 O GLU A 27 7.826 -13.011 0.073 1.00 14.11 O ATOM 149 CB GLU A 27 6.933 -12.868 3.055 1.00 14.32 C ATOM 150 CG GLU A 27 5.950 -13.117 4.194 1.00 21.24 C ATOM 151 CD GLU A 27 6.624 -13.519 5.474 1.00 62.30 C ATOM 152 OE1 GLU A 27 6.870 -14.735 5.680 1.00 62.14 O ATOM 153 OE2 GLU A 27 6.907 -12.648 6.294 1.00 2.41 O ATOM 0 H GLU A 27 5.806 -14.222 0.830 1.00 72.33 H new ATOM 0 HA GLU A 27 5.698 -11.516 1.991 1.00 3.32 H new ATOM 0 HB2 GLU A 27 7.497 -13.782 2.867 1.00 14.32 H new ATOM 0 HB3 GLU A 27 7.651 -12.109 3.365 1.00 14.32 H new ATOM 0 HG2 GLU A 27 5.365 -12.213 4.366 1.00 21.24 H new ATOM 0 HG3 GLU A 27 5.250 -13.898 3.898 1.00 21.24 H new ATOM 160 N THR A 28 7.483 -10.855 0.483 1.00 34.11 N ATOM 161 CA THR A 28 8.391 -10.416 -0.514 1.00 10.22 C ATOM 162 C THR A 28 9.061 -9.144 -0.022 1.00 24.21 C ATOM 163 O THR A 28 8.630 -8.554 0.988 1.00 24.40 O ATOM 164 CB THR A 28 7.653 -10.173 -1.888 1.00 33.35 C ATOM 165 OG1 THR A 28 8.588 -9.843 -2.918 1.00 23.15 O ATOM 166 CG2 THR A 28 6.618 -9.053 -1.781 1.00 23.03 C ATOM 0 H THR A 28 7.026 -10.102 0.997 1.00 34.11 H new ATOM 0 HA THR A 28 9.143 -11.185 -0.690 1.00 10.22 H new ATOM 0 HB THR A 28 7.143 -11.102 -2.141 1.00 33.35 H new ATOM 0 HG1 THR A 28 8.109 -9.698 -3.761 1.00 23.15 H new ATOM 0 HG21 THR A 28 6.131 -8.915 -2.746 1.00 23.03 H new ATOM 0 HG22 THR A 28 5.872 -9.318 -1.032 1.00 23.03 H new ATOM 0 HG23 THR A 28 7.113 -8.127 -1.488 1.00 23.03 H new ATOM 174 N ASP A 29 10.109 -8.751 -0.665 1.00 41.05 N ATOM 175 CA ASP A 29 10.789 -7.537 -0.328 1.00 25.14 C ATOM 176 C ASP A 29 11.142 -6.795 -1.578 1.00 34.14 C ATOM 177 O ASP A 29 11.787 -7.331 -2.469 1.00 42.33 O ATOM 178 CB ASP A 29 12.019 -7.763 0.585 1.00 71.42 C ATOM 179 CG ASP A 29 13.077 -8.674 0.005 1.00 21.22 C ATOM 180 OD1 ASP A 29 12.978 -9.902 0.206 1.00 75.41 O ATOM 181 OD2 ASP A 29 14.039 -8.176 -0.622 1.00 62.24 O ATOM 0 H ASP A 29 10.523 -9.263 -1.444 1.00 41.05 H new ATOM 0 HA ASP A 29 10.107 -6.926 0.263 1.00 25.14 H new ATOM 0 HB2 ASP A 29 12.472 -6.797 0.807 1.00 71.42 H new ATOM 0 HB3 ASP A 29 11.679 -8.180 1.533 1.00 71.42 H new ATOM 186 N VAL A 30 10.675 -5.592 -1.667 1.00 44.20 N ATOM 187 CA VAL A 30 10.922 -4.762 -2.816 1.00 3.24 C ATOM 188 C VAL A 30 11.885 -3.681 -2.416 1.00 23.45 C ATOM 189 O VAL A 30 11.817 -3.172 -1.293 1.00 73.53 O ATOM 190 CB VAL A 30 9.610 -4.116 -3.352 1.00 14.40 C ATOM 191 CG1 VAL A 30 9.877 -3.260 -4.587 1.00 11.14 C ATOM 192 CG2 VAL A 30 8.578 -5.184 -3.671 1.00 4.21 C ATOM 0 H VAL A 30 10.108 -5.149 -0.944 1.00 44.20 H new ATOM 0 HA VAL A 30 11.335 -5.379 -3.614 1.00 3.24 H new ATOM 0 HB VAL A 30 9.217 -3.469 -2.568 1.00 14.40 H new ATOM 0 HG11 VAL A 30 8.941 -2.823 -4.936 1.00 11.14 H new ATOM 0 HG12 VAL A 30 10.577 -2.464 -4.333 1.00 11.14 H new ATOM 0 HG13 VAL A 30 10.304 -3.881 -5.375 1.00 11.14 H new ATOM 0 HG21 VAL A 30 7.669 -4.712 -4.044 1.00 4.21 H new ATOM 0 HG22 VAL A 30 8.975 -5.858 -4.430 1.00 4.21 H new ATOM 0 HG23 VAL A 30 8.349 -5.750 -2.768 1.00 4.21 H new ATOM 202 N GLU A 31 12.783 -3.345 -3.280 1.00 11.21 N ATOM 203 CA GLU A 31 13.719 -2.323 -2.969 1.00 52.43 C ATOM 204 C GLU A 31 13.198 -1.010 -3.504 1.00 11.41 C ATOM 205 O GLU A 31 12.661 -0.956 -4.614 1.00 5.23 O ATOM 206 CB GLU A 31 15.101 -2.547 -3.605 1.00 55.50 C ATOM 207 CG GLU A 31 15.707 -3.958 -3.547 1.00 30.34 C ATOM 208 CD GLU A 31 15.032 -4.968 -4.458 1.00 54.00 C ATOM 209 OE1 GLU A 31 15.273 -4.924 -5.673 1.00 3.33 O ATOM 210 OE2 GLU A 31 14.260 -5.813 -3.969 1.00 71.14 O ATOM 0 H GLU A 31 12.887 -3.763 -4.205 1.00 11.21 H new ATOM 0 HA GLU A 31 13.835 -2.327 -1.885 1.00 52.43 H new ATOM 0 HB2 GLU A 31 15.036 -2.255 -4.653 1.00 55.50 H new ATOM 0 HB3 GLU A 31 15.802 -1.863 -3.127 1.00 55.50 H new ATOM 0 HG2 GLU A 31 16.763 -3.898 -3.811 1.00 30.34 H new ATOM 0 HG3 GLU A 31 15.655 -4.321 -2.520 1.00 30.34 H new ATOM 217 N ILE A 32 13.321 0.023 -2.738 1.00 0.22 N ATOM 218 CA ILE A 32 13.011 1.336 -3.228 1.00 72.42 C ATOM 219 C ILE A 32 14.310 2.082 -3.376 1.00 72.15 C ATOM 220 O ILE A 32 15.271 1.796 -2.662 1.00 51.34 O ATOM 221 CB ILE A 32 12.023 2.134 -2.328 1.00 32.14 C ATOM 222 CG1 ILE A 32 12.558 2.267 -0.891 1.00 10.25 C ATOM 223 CG2 ILE A 32 10.629 1.500 -2.356 1.00 42.53 C ATOM 224 CD1 ILE A 32 11.683 3.095 0.024 1.00 22.33 C ATOM 0 H ILE A 32 13.634 -0.011 -1.768 1.00 0.22 H new ATOM 0 HA ILE A 32 12.495 1.227 -4.182 1.00 72.42 H new ATOM 0 HB ILE A 32 11.936 3.142 -2.733 1.00 32.14 H new ATOM 0 HG12 ILE A 32 12.670 1.271 -0.464 1.00 10.25 H new ATOM 0 HG13 ILE A 32 13.552 2.713 -0.925 1.00 10.25 H new ATOM 0 HG21 ILE A 32 9.955 2.074 -1.720 1.00 42.53 H new ATOM 0 HG22 ILE A 32 10.250 1.499 -3.378 1.00 42.53 H new ATOM 0 HG23 ILE A 32 10.688 0.475 -1.990 1.00 42.53 H new ATOM 0 HD11 ILE A 32 12.132 3.138 1.016 1.00 22.33 H new ATOM 0 HD12 ILE A 32 11.590 4.105 -0.376 1.00 22.33 H new ATOM 0 HD13 ILE A 32 10.695 2.640 0.093 1.00 22.33 H new ATOM 236 N LYS A 33 14.365 3.000 -4.292 1.00 13.23 N ATOM 237 CA LYS A 33 15.592 3.746 -4.549 1.00 20.43 C ATOM 238 C LYS A 33 15.694 4.912 -3.579 1.00 74.43 C ATOM 239 O LYS A 33 16.698 5.636 -3.535 1.00 2.03 O ATOM 240 CB LYS A 33 15.573 4.285 -5.954 1.00 31.42 C ATOM 241 CG LYS A 33 15.288 3.251 -7.020 1.00 10.32 C ATOM 242 CD LYS A 33 15.159 3.921 -8.362 1.00 21.24 C ATOM 243 CE LYS A 33 14.800 2.945 -9.454 1.00 32.13 C ATOM 244 NZ LYS A 33 14.682 3.619 -10.762 1.00 42.44 N ATOM 0 H LYS A 33 13.578 3.263 -4.885 1.00 13.23 H new ATOM 0 HA LYS A 33 16.445 3.080 -4.420 1.00 20.43 H new ATOM 0 HB2 LYS A 33 14.820 5.071 -6.018 1.00 31.42 H new ATOM 0 HB3 LYS A 33 16.537 4.749 -6.164 1.00 31.42 H new ATOM 0 HG2 LYS A 33 16.090 2.514 -7.048 1.00 10.32 H new ATOM 0 HG3 LYS A 33 14.370 2.714 -6.782 1.00 10.32 H new ATOM 0 HD2 LYS A 33 14.397 4.698 -8.306 1.00 21.24 H new ATOM 0 HD3 LYS A 33 16.099 4.414 -8.612 1.00 21.24 H new ATOM 0 HE2 LYS A 33 15.560 2.166 -9.512 1.00 32.13 H new ATOM 0 HE3 LYS A 33 13.858 2.454 -9.210 1.00 32.13 H new ATOM 0 HZ1 LYS A 33 14.434 2.920 -11.491 1.00 42.44 H new ATOM 0 HZ2 LYS A 33 13.940 4.346 -10.712 1.00 42.44 H new ATOM 0 HZ3 LYS A 33 15.589 4.066 -11.005 1.00 42.44 H new ATOM 258 N ALA A 34 14.647 5.099 -2.823 1.00 72.43 N ATOM 259 CA ALA A 34 14.578 6.152 -1.865 1.00 72.43 C ATOM 260 C ALA A 34 15.054 5.665 -0.521 1.00 33.43 C ATOM 261 O ALA A 34 15.271 4.459 -0.318 1.00 41.33 O ATOM 262 CB ALA A 34 13.162 6.680 -1.766 1.00 13.32 C ATOM 0 H ALA A 34 13.812 4.514 -2.860 1.00 72.43 H new ATOM 0 HA ALA A 34 15.228 6.965 -2.190 1.00 72.43 H new ATOM 0 HB1 ALA A 34 13.124 7.484 -1.031 1.00 13.32 H new ATOM 0 HB2 ALA A 34 12.847 7.062 -2.737 1.00 13.32 H new ATOM 0 HB3 ALA A 34 12.494 5.875 -1.459 1.00 13.32 H new ATOM 268 N SER A 35 15.227 6.573 0.378 1.00 1.40 N ATOM 269 CA SER A 35 15.642 6.259 1.691 1.00 73.32 C ATOM 270 C SER A 35 14.428 6.060 2.582 1.00 31.11 C ATOM 271 O SER A 35 13.336 6.589 2.295 1.00 74.32 O ATOM 272 CB SER A 35 16.526 7.379 2.197 1.00 74.45 C ATOM 273 OG SER A 35 15.887 8.632 2.028 1.00 0.04 O ATOM 0 H SER A 35 15.080 7.569 0.213 1.00 1.40 H new ATOM 0 HA SER A 35 16.211 5.330 1.701 1.00 73.32 H new ATOM 0 HB2 SER A 35 16.756 7.221 3.251 1.00 74.45 H new ATOM 0 HB3 SER A 35 17.474 7.373 1.660 1.00 74.45 H new ATOM 0 HG SER A 35 16.471 9.345 2.362 1.00 0.04 H new ATOM 279 N ALA A 36 14.608 5.314 3.644 1.00 35.33 N ATOM 280 CA ALA A 36 13.544 5.022 4.573 1.00 13.52 C ATOM 281 C ALA A 36 13.116 6.281 5.300 1.00 62.25 C ATOM 282 O ALA A 36 11.970 6.418 5.725 1.00 34.20 O ATOM 283 CB ALA A 36 13.993 3.953 5.556 1.00 25.20 C ATOM 0 H ALA A 36 15.502 4.890 3.890 1.00 35.33 H new ATOM 0 HA ALA A 36 12.684 4.644 4.020 1.00 13.52 H new ATOM 0 HB1 ALA A 36 13.184 3.738 6.254 1.00 25.20 H new ATOM 0 HB2 ALA A 36 14.254 3.045 5.012 1.00 25.20 H new ATOM 0 HB3 ALA A 36 14.863 4.308 6.107 1.00 25.20 H new ATOM 289 N ASP A 37 14.037 7.217 5.424 1.00 43.24 N ATOM 290 CA ASP A 37 13.744 8.473 6.071 1.00 74.15 C ATOM 291 C ASP A 37 12.753 9.295 5.261 1.00 12.24 C ATOM 292 O ASP A 37 11.967 10.039 5.821 1.00 34.44 O ATOM 293 CB ASP A 37 15.006 9.274 6.421 1.00 11.43 C ATOM 294 CG ASP A 37 14.677 10.576 7.144 1.00 51.33 C ATOM 295 OD1 ASP A 37 14.093 10.527 8.251 1.00 22.31 O ATOM 296 OD2 ASP A 37 15.002 11.656 6.624 1.00 63.10 O ATOM 0 H ASP A 37 14.994 7.128 5.084 1.00 43.24 H new ATOM 0 HA ASP A 37 13.272 8.231 7.023 1.00 74.15 H new ATOM 0 HB2 ASP A 37 15.658 8.666 7.048 1.00 11.43 H new ATOM 0 HB3 ASP A 37 15.559 9.496 5.508 1.00 11.43 H new ATOM 301 N LYS A 38 12.755 9.148 3.939 1.00 44.10 N ATOM 302 CA LYS A 38 11.779 9.873 3.147 1.00 33.00 C ATOM 303 C LYS A 38 10.374 9.332 3.353 1.00 2.41 C ATOM 304 O LYS A 38 9.402 10.078 3.267 1.00 52.15 O ATOM 305 CB LYS A 38 12.125 9.970 1.674 1.00 41.33 C ATOM 306 CG LYS A 38 13.418 10.714 1.427 1.00 34.15 C ATOM 307 CD LYS A 38 13.491 11.269 0.026 1.00 64.23 C ATOM 308 CE LYS A 38 12.453 12.384 -0.165 1.00 72.22 C ATOM 309 NZ LYS A 38 12.550 13.024 -1.481 1.00 60.00 N ATOM 0 H LYS A 38 13.398 8.556 3.413 1.00 44.10 H new ATOM 0 HA LYS A 38 11.810 10.896 3.522 1.00 33.00 H new ATOM 0 HB2 LYS A 38 12.202 8.966 1.256 1.00 41.33 H new ATOM 0 HB3 LYS A 38 11.314 10.473 1.147 1.00 41.33 H new ATOM 0 HG2 LYS A 38 13.511 11.529 2.145 1.00 34.15 H new ATOM 0 HG3 LYS A 38 14.260 10.043 1.596 1.00 34.15 H new ATOM 0 HD2 LYS A 38 14.491 11.658 -0.166 1.00 64.23 H new ATOM 0 HD3 LYS A 38 13.315 10.472 -0.697 1.00 64.23 H new ATOM 0 HE2 LYS A 38 11.453 11.970 -0.039 1.00 72.22 H new ATOM 0 HE3 LYS A 38 12.586 13.137 0.612 1.00 72.22 H new ATOM 0 HZ1 LYS A 38 11.976 13.892 -1.488 1.00 60.00 H new ATOM 0 HZ2 LYS A 38 13.543 13.264 -1.678 1.00 60.00 H new ATOM 0 HZ3 LYS A 38 12.200 12.371 -2.211 1.00 60.00 H new ATOM 323 N PHE A 39 10.278 8.040 3.653 1.00 35.35 N ATOM 324 CA PHE A 39 8.995 7.416 3.993 1.00 55.44 C ATOM 325 C PHE A 39 8.526 8.047 5.303 1.00 14.13 C ATOM 326 O PHE A 39 7.372 8.434 5.461 1.00 4.45 O ATOM 327 CB PHE A 39 9.189 5.890 4.163 1.00 25.11 C ATOM 328 CG PHE A 39 7.929 5.101 4.434 1.00 32.34 C ATOM 329 CD1 PHE A 39 7.428 4.967 5.721 1.00 74.41 C ATOM 330 CD2 PHE A 39 7.254 4.482 3.397 1.00 72.14 C ATOM 331 CE1 PHE A 39 6.282 4.235 5.965 1.00 72.23 C ATOM 332 CE2 PHE A 39 6.106 3.744 3.635 1.00 51.53 C ATOM 333 CZ PHE A 39 5.621 3.623 4.922 1.00 55.45 C ATOM 0 H PHE A 39 11.073 7.401 3.669 1.00 35.35 H new ATOM 0 HA PHE A 39 8.255 7.573 3.208 1.00 55.44 H new ATOM 0 HB2 PHE A 39 9.655 5.498 3.259 1.00 25.11 H new ATOM 0 HB3 PHE A 39 9.887 5.719 4.982 1.00 25.11 H new ATOM 0 HD1 PHE A 39 7.941 5.442 6.544 1.00 74.41 H new ATOM 0 HD2 PHE A 39 7.627 4.575 2.388 1.00 72.14 H new ATOM 0 HE1 PHE A 39 5.904 4.142 6.973 1.00 72.23 H new ATOM 0 HE2 PHE A 39 5.591 3.264 2.816 1.00 51.53 H new ATOM 0 HZ PHE A 39 4.725 3.050 5.111 1.00 55.45 H new ATOM 343 N HIS A 40 9.464 8.163 6.211 1.00 61.22 N ATOM 344 CA HIS A 40 9.289 8.828 7.494 1.00 31.22 C ATOM 345 C HIS A 40 8.832 10.307 7.304 1.00 72.41 C ATOM 346 O HIS A 40 7.990 10.804 8.040 1.00 74.50 O ATOM 347 CB HIS A 40 10.634 8.721 8.262 1.00 51.32 C ATOM 348 CG HIS A 40 10.772 9.521 9.517 1.00 43.25 C ATOM 349 ND1 HIS A 40 11.858 10.346 9.749 1.00 15.14 N ATOM 350 CD2 HIS A 40 10.003 9.600 10.623 1.00 64.23 C ATOM 351 CE1 HIS A 40 11.741 10.894 10.936 1.00 41.14 C ATOM 352 NE2 HIS A 40 10.626 10.458 11.486 1.00 25.40 N ATOM 0 H HIS A 40 10.403 7.787 6.080 1.00 61.22 H new ATOM 0 HA HIS A 40 8.500 8.347 8.072 1.00 31.22 H new ATOM 0 HB2 HIS A 40 10.798 7.672 8.511 1.00 51.32 H new ATOM 0 HB3 HIS A 40 11.434 9.017 7.584 1.00 51.32 H new ATOM 0 HD1 HIS A 40 12.629 10.504 9.100 1.00 15.14 H new ATOM 0 HD2 HIS A 40 9.071 9.083 10.794 1.00 64.23 H new ATOM 0 HE1 HIS A 40 12.440 11.584 11.385 1.00 41.14 H new ATOM 361 N HIS A 41 9.395 10.985 6.307 1.00 63.01 N ATOM 362 CA HIS A 41 9.058 12.395 6.017 1.00 4.35 C ATOM 363 C HIS A 41 7.732 12.577 5.300 1.00 33.22 C ATOM 364 O HIS A 41 7.059 13.587 5.508 1.00 54.41 O ATOM 365 CB HIS A 41 10.167 13.132 5.237 1.00 53.20 C ATOM 366 CG HIS A 41 11.381 13.494 6.039 1.00 60.11 C ATOM 367 ND1 HIS A 41 12.052 14.687 5.899 1.00 24.20 N ATOM 368 CD2 HIS A 41 12.073 12.794 6.949 1.00 44.21 C ATOM 369 CE1 HIS A 41 13.100 14.689 6.681 1.00 12.33 C ATOM 370 NE2 HIS A 41 13.137 13.547 7.332 1.00 33.51 N ATOM 0 H HIS A 41 10.092 10.587 5.678 1.00 63.01 H new ATOM 0 HA HIS A 41 8.965 12.845 7.005 1.00 4.35 H new ATOM 0 HB2 HIS A 41 10.478 12.506 4.401 1.00 53.20 H new ATOM 0 HB3 HIS A 41 9.746 14.044 4.814 1.00 53.20 H new ATOM 0 HD2 HIS A 41 11.828 11.807 7.313 1.00 44.21 H new ATOM 0 HE1 HIS A 41 13.815 15.493 6.776 1.00 12.33 H new ATOM 0 HE2 HIS A 41 13.846 13.272 8.011 1.00 33.51 H new ATOM 778 N THR A 70 -6.168 9.307 11.333 1.00 34.31 N ATOM 779 CA THR A 70 -4.962 8.704 10.789 1.00 64.31 C ATOM 780 C THR A 70 -5.040 7.171 10.861 1.00 20.23 C ATOM 781 O THR A 70 -5.148 6.503 9.834 1.00 32.32 O ATOM 782 CB THR A 70 -3.677 9.251 11.456 1.00 44.10 C ATOM 783 OG1 THR A 70 -3.669 10.692 11.327 1.00 43.21 O ATOM 784 CG2 THR A 70 -2.436 8.681 10.780 1.00 42.10 C ATOM 0 HA THR A 70 -4.900 8.987 9.738 1.00 64.31 H new ATOM 0 HB THR A 70 -3.666 8.958 12.506 1.00 44.10 H new ATOM 0 HG1 THR A 70 -4.590 11.027 11.349 1.00 43.21 H new ATOM 0 HG21 THR A 70 -1.543 9.078 11.264 1.00 42.10 H new ATOM 0 HG22 THR A 70 -2.442 7.594 10.865 1.00 42.10 H new ATOM 0 HG23 THR A 70 -2.434 8.962 9.727 1.00 42.10 H new ATOM 792 N VAL A 71 -4.997 6.620 12.049 1.00 55.33 N ATOM 793 CA VAL A 71 -5.168 5.200 12.208 1.00 34.42 C ATOM 794 C VAL A 71 -6.631 4.861 11.963 1.00 61.45 C ATOM 795 O VAL A 71 -7.513 5.373 12.648 1.00 40.13 O ATOM 796 CB VAL A 71 -4.724 4.706 13.600 1.00 25.42 C ATOM 797 CG1 VAL A 71 -4.935 3.209 13.719 1.00 5.30 C ATOM 798 CG2 VAL A 71 -3.261 5.050 13.835 1.00 63.42 C ATOM 0 H VAL A 71 -4.845 7.133 12.917 1.00 55.33 H new ATOM 0 HA VAL A 71 -4.532 4.691 11.484 1.00 34.42 H new ATOM 0 HB VAL A 71 -5.329 5.205 14.357 1.00 25.42 H new ATOM 0 HG11 VAL A 71 -4.617 2.874 14.706 1.00 5.30 H new ATOM 0 HG12 VAL A 71 -5.991 2.978 13.580 1.00 5.30 H new ATOM 0 HG13 VAL A 71 -4.348 2.697 12.956 1.00 5.30 H new ATOM 0 HG21 VAL A 71 -2.958 4.697 14.821 1.00 63.42 H new ATOM 0 HG22 VAL A 71 -2.647 4.570 13.073 1.00 63.42 H new ATOM 0 HG23 VAL A 71 -3.128 6.130 13.780 1.00 63.42 H new ATOM 808 N GLY A 72 -6.884 4.034 10.983 1.00 22.41 N ATOM 809 CA GLY A 72 -8.240 3.715 10.639 1.00 54.50 C ATOM 810 C GLY A 72 -8.673 4.454 9.400 1.00 20.05 C ATOM 811 O GLY A 72 -9.810 4.310 8.946 1.00 73.35 O ATOM 0 H GLY A 72 -6.174 3.573 10.414 1.00 22.41 H new ATOM 0 HA2 GLY A 72 -8.335 2.641 10.477 1.00 54.50 H new ATOM 0 HA3 GLY A 72 -8.899 3.972 11.468 1.00 54.50 H new ATOM 815 N SER A 73 -7.768 5.251 8.857 1.00 14.41 N ATOM 816 CA SER A 73 -8.053 6.046 7.694 1.00 71.24 C ATOM 817 C SER A 73 -8.127 5.188 6.442 1.00 4.44 C ATOM 818 O SER A 73 -7.544 4.086 6.374 1.00 74.53 O ATOM 819 CB SER A 73 -7.026 7.184 7.544 1.00 63.13 C ATOM 820 OG SER A 73 -7.369 8.075 6.498 1.00 3.14 O ATOM 0 H SER A 73 -6.819 5.359 9.216 1.00 14.41 H new ATOM 0 HA SER A 73 -9.034 6.501 7.829 1.00 71.24 H new ATOM 0 HB2 SER A 73 -6.957 7.735 8.482 1.00 63.13 H new ATOM 0 HB3 SER A 73 -6.041 6.760 7.350 1.00 63.13 H new ATOM 0 HG SER A 73 -6.694 8.783 6.437 1.00 3.14 H new ATOM 826 N ILE A 74 -8.867 5.682 5.485 1.00 74.24 N ATOM 827 CA ILE A 74 -9.065 5.045 4.230 1.00 12.11 C ATOM 828 C ILE A 74 -8.767 6.032 3.129 1.00 72.32 C ATOM 829 O ILE A 74 -9.431 7.070 3.006 1.00 52.40 O ATOM 830 CB ILE A 74 -10.514 4.525 4.109 1.00 52.31 C ATOM 831 CG1 ILE A 74 -10.729 3.430 5.151 1.00 75.32 C ATOM 832 CG2 ILE A 74 -10.794 4.008 2.698 1.00 21.53 C ATOM 833 CD1 ILE A 74 -12.125 2.892 5.218 1.00 75.13 C ATOM 0 H ILE A 74 -9.361 6.570 5.571 1.00 74.24 H new ATOM 0 HA ILE A 74 -8.394 4.190 4.147 1.00 12.11 H new ATOM 0 HB ILE A 74 -11.212 5.342 4.293 1.00 52.31 H new ATOM 0 HG12 ILE A 74 -10.047 2.607 4.938 1.00 75.32 H new ATOM 0 HG13 ILE A 74 -10.459 3.823 6.131 1.00 75.32 H new ATOM 0 HG21 ILE A 74 -11.821 3.648 2.640 1.00 21.53 H new ATOM 0 HG22 ILE A 74 -10.651 4.815 1.980 1.00 21.53 H new ATOM 0 HG23 ILE A 74 -10.109 3.192 2.467 1.00 21.53 H new ATOM 0 HD11 ILE A 74 -12.181 2.120 5.986 1.00 75.13 H new ATOM 0 HD12 ILE A 74 -12.815 3.699 5.464 1.00 75.13 H new ATOM 0 HD13 ILE A 74 -12.397 2.464 4.253 1.00 75.13 H new ATOM 845 N VAL A 75 -7.764 5.727 2.362 1.00 43.23 N ATOM 846 CA VAL A 75 -7.340 6.555 1.251 1.00 22.44 C ATOM 847 C VAL A 75 -7.391 5.679 0.003 1.00 70.33 C ATOM 848 O VAL A 75 -7.520 4.467 0.122 1.00 54.32 O ATOM 849 CB VAL A 75 -5.881 7.099 1.467 1.00 12.44 C ATOM 850 CG1 VAL A 75 -5.489 8.118 0.397 1.00 4.54 C ATOM 851 CG2 VAL A 75 -5.710 7.692 2.864 1.00 72.14 C ATOM 0 H VAL A 75 -7.202 4.885 2.485 1.00 43.23 H new ATOM 0 HA VAL A 75 -7.993 7.423 1.158 1.00 22.44 H new ATOM 0 HB VAL A 75 -5.208 6.247 1.374 1.00 12.44 H new ATOM 0 HG11 VAL A 75 -4.474 8.469 0.583 1.00 4.54 H new ATOM 0 HG12 VAL A 75 -5.537 7.650 -0.586 1.00 4.54 H new ATOM 0 HG13 VAL A 75 -6.177 8.963 0.430 1.00 4.54 H new ATOM 0 HG21 VAL A 75 -4.690 8.059 2.981 1.00 72.14 H new ATOM 0 HG22 VAL A 75 -6.410 8.517 2.997 1.00 72.14 H new ATOM 0 HG23 VAL A 75 -5.907 6.924 3.612 1.00 72.14 H new ATOM 861 N PHE A 76 -7.341 6.262 -1.174 1.00 12.13 N ATOM 862 CA PHE A 76 -7.388 5.474 -2.378 1.00 61.43 C ATOM 863 C PHE A 76 -6.231 5.780 -3.308 1.00 52.15 C ATOM 864 O PHE A 76 -5.787 6.932 -3.414 1.00 12.52 O ATOM 865 CB PHE A 76 -8.732 5.655 -3.097 1.00 74.44 C ATOM 866 CG PHE A 76 -9.895 5.249 -2.249 1.00 21.12 C ATOM 867 CD1 PHE A 76 -9.949 3.983 -1.747 1.00 43.12 C ATOM 868 CD2 PHE A 76 -10.904 6.139 -1.929 1.00 21.24 C ATOM 869 CE1 PHE A 76 -10.973 3.575 -0.943 1.00 31.22 C ATOM 870 CE2 PHE A 76 -11.952 5.745 -1.116 1.00 70.25 C ATOM 871 CZ PHE A 76 -11.985 4.456 -0.619 1.00 0.14 C ATOM 0 H PHE A 76 -7.269 7.269 -1.320 1.00 12.13 H new ATOM 0 HA PHE A 76 -7.292 4.429 -2.082 1.00 61.43 H new ATOM 0 HB2 PHE A 76 -8.846 6.699 -3.389 1.00 74.44 H new ATOM 0 HB3 PHE A 76 -8.732 5.066 -4.014 1.00 74.44 H new ATOM 0 HD1 PHE A 76 -9.162 3.285 -1.992 1.00 43.12 H new ATOM 0 HD2 PHE A 76 -10.874 7.147 -2.316 1.00 21.24 H new ATOM 0 HE1 PHE A 76 -10.992 2.565 -0.561 1.00 31.22 H new ATOM 0 HE2 PHE A 76 -12.740 6.441 -0.871 1.00 70.25 H new ATOM 0 HZ PHE A 76 -12.797 4.140 0.019 1.00 0.14 H new ATOM 881 N TRP A 77 -5.760 4.761 -3.986 1.00 51.41 N ATOM 882 CA TRP A 77 -4.707 4.903 -4.976 1.00 22.53 C ATOM 883 C TRP A 77 -5.277 4.755 -6.353 1.00 3.43 C ATOM 884 O TRP A 77 -6.289 4.090 -6.539 1.00 15.02 O ATOM 885 CB TRP A 77 -3.604 3.851 -4.821 1.00 33.21 C ATOM 886 CG TRP A 77 -2.706 4.014 -3.650 1.00 11.54 C ATOM 887 CD1 TRP A 77 -2.074 5.149 -3.270 1.00 34.40 C ATOM 888 CD2 TRP A 77 -2.276 2.990 -2.750 1.00 72.42 C ATOM 889 NE1 TRP A 77 -1.297 4.914 -2.175 1.00 13.32 N ATOM 890 CE2 TRP A 77 -1.402 3.590 -1.832 1.00 63.10 C ATOM 891 CE3 TRP A 77 -2.554 1.627 -2.625 1.00 61.23 C ATOM 892 CZ2 TRP A 77 -0.799 2.875 -0.804 1.00 62.23 C ATOM 893 CZ3 TRP A 77 -1.957 0.919 -1.607 1.00 50.11 C ATOM 894 CH2 TRP A 77 -1.088 1.544 -0.709 1.00 41.10 C ATOM 0 H TRP A 77 -6.094 3.804 -3.870 1.00 51.41 H new ATOM 0 HA TRP A 77 -4.275 5.892 -4.823 1.00 22.53 H new ATOM 0 HB2 TRP A 77 -4.073 2.869 -4.760 1.00 33.21 H new ATOM 0 HB3 TRP A 77 -2.994 3.857 -5.724 1.00 33.21 H new ATOM 0 HD1 TRP A 77 -2.171 6.104 -3.764 1.00 34.40 H new ATOM 0 HE1 TRP A 77 -0.730 5.609 -1.690 1.00 13.32 H new ATOM 0 HE3 TRP A 77 -3.225 1.137 -3.315 1.00 61.23 H new ATOM 0 HZ2 TRP A 77 -0.127 3.354 -0.107 1.00 62.23 H new ATOM 0 HZ3 TRP A 77 -2.163 -0.136 -1.501 1.00 50.11 H new ATOM 0 HH2 TRP A 77 -0.634 0.961 0.079 1.00 41.10 H new ATOM 905 N ASN A 78 -4.647 5.399 -7.306 1.00 4.21 N ATOM 906 CA ASN A 78 -5.018 5.320 -8.713 1.00 74.33 C ATOM 907 C ASN A 78 -3.789 4.999 -9.520 1.00 44.12 C ATOM 908 O ASN A 78 -2.740 5.648 -9.366 1.00 43.00 O ATOM 909 CB ASN A 78 -5.641 6.637 -9.246 1.00 10.31 C ATOM 910 CG ASN A 78 -7.083 6.927 -8.808 1.00 15.32 C ATOM 911 OD1 ASN A 78 -7.819 7.593 -9.522 1.00 22.10 O ATOM 912 ND2 ASN A 78 -7.503 6.428 -7.675 1.00 1.42 N ATOM 0 H ASN A 78 -3.846 6.006 -7.130 1.00 4.21 H new ATOM 0 HA ASN A 78 -5.774 4.541 -8.810 1.00 74.33 H new ATOM 0 HB2 ASN A 78 -5.012 7.468 -8.927 1.00 10.31 H new ATOM 0 HB3 ASN A 78 -5.611 6.614 -10.335 1.00 10.31 H new ATOM 0 HD21 ASN A 78 -8.463 6.591 -7.370 1.00 1.42 H new ATOM 0 HD22 ASN A 78 -6.871 5.875 -7.096 1.00 1.42 H new ATOM 919 N TYR A 79 -3.909 4.032 -10.365 1.00 62.54 N ATOM 920 CA TYR A 79 -2.828 3.580 -11.207 1.00 75.14 C ATOM 921 C TYR A 79 -3.411 2.976 -12.452 1.00 22.42 C ATOM 922 O TYR A 79 -4.588 2.648 -12.474 1.00 72.54 O ATOM 923 CB TYR A 79 -1.917 2.569 -10.453 1.00 21.31 C ATOM 924 CG TYR A 79 -2.630 1.348 -9.880 1.00 74.12 C ATOM 925 CD1 TYR A 79 -3.342 1.437 -8.686 1.00 62.33 C ATOM 926 CD2 TYR A 79 -2.584 0.115 -10.520 1.00 14.30 C ATOM 927 CE1 TYR A 79 -3.986 0.346 -8.154 1.00 14.33 C ATOM 928 CE2 TYR A 79 -3.231 -0.989 -9.987 1.00 12.44 C ATOM 929 CZ TYR A 79 -3.930 -0.863 -8.802 1.00 20.12 C ATOM 930 OH TYR A 79 -4.587 -1.951 -8.270 1.00 33.03 O ATOM 0 H TYR A 79 -4.778 3.515 -10.501 1.00 62.54 H new ATOM 0 HA TYR A 79 -2.197 4.425 -11.481 1.00 75.14 H new ATOM 0 HB2 TYR A 79 -1.139 2.227 -11.136 1.00 21.31 H new ATOM 0 HB3 TYR A 79 -1.418 3.093 -9.638 1.00 21.31 H new ATOM 0 HD1 TYR A 79 -3.389 2.383 -8.168 1.00 62.33 H new ATOM 0 HD2 TYR A 79 -2.036 0.016 -11.446 1.00 14.30 H new ATOM 0 HE1 TYR A 79 -4.535 0.439 -7.229 1.00 14.33 H new ATOM 0 HE2 TYR A 79 -3.189 -1.941 -10.495 1.00 12.44 H new ATOM 0 HH TYR A 79 -4.451 -2.730 -8.848 1.00 33.03 H new ATOM 940 N VAL A 80 -2.624 2.826 -13.469 1.00 14.24 N ATOM 941 CA VAL A 80 -3.117 2.296 -14.710 1.00 33.15 C ATOM 942 C VAL A 80 -2.627 0.880 -14.873 1.00 41.43 C ATOM 943 O VAL A 80 -1.422 0.628 -14.892 1.00 71.15 O ATOM 944 CB VAL A 80 -2.679 3.160 -15.925 1.00 41.42 C ATOM 945 CG1 VAL A 80 -3.244 2.604 -17.227 1.00 61.25 C ATOM 946 CG2 VAL A 80 -3.123 4.599 -15.735 1.00 33.15 C ATOM 0 H VAL A 80 -1.632 3.063 -13.469 1.00 14.24 H new ATOM 0 HA VAL A 80 -4.206 2.313 -14.680 1.00 33.15 H new ATOM 0 HB VAL A 80 -1.591 3.129 -15.986 1.00 41.42 H new ATOM 0 HG11 VAL A 80 -2.921 3.229 -18.060 1.00 61.25 H new ATOM 0 HG12 VAL A 80 -2.883 1.586 -17.375 1.00 61.25 H new ATOM 0 HG13 VAL A 80 -4.333 2.599 -17.178 1.00 61.25 H new ATOM 0 HG21 VAL A 80 -2.809 5.193 -16.594 1.00 33.15 H new ATOM 0 HG22 VAL A 80 -4.209 4.636 -15.645 1.00 33.15 H new ATOM 0 HG23 VAL A 80 -2.670 5.003 -14.830 1.00 33.15 H new ATOM 956 N HIS A 81 -3.552 -0.032 -14.958 1.00 3.32 N ATOM 957 CA HIS A 81 -3.236 -1.433 -15.109 1.00 32.23 C ATOM 958 C HIS A 81 -4.227 -2.014 -16.104 1.00 33.24 C ATOM 959 O HIS A 81 -5.437 -1.837 -15.948 1.00 62.22 O ATOM 960 CB HIS A 81 -3.313 -2.143 -13.743 1.00 40.13 C ATOM 961 CG HIS A 81 -2.753 -3.537 -13.706 1.00 74.55 C ATOM 962 ND1 HIS A 81 -1.481 -3.818 -13.258 1.00 44.40 N ATOM 963 CD2 HIS A 81 -3.299 -4.722 -14.036 1.00 41.40 C ATOM 964 CE1 HIS A 81 -1.272 -5.114 -13.321 1.00 41.01 C ATOM 965 NE2 HIS A 81 -2.358 -5.685 -13.789 1.00 20.14 N ATOM 0 H HIS A 81 -4.551 0.170 -14.925 1.00 3.32 H new ATOM 0 HA HIS A 81 -2.221 -1.573 -15.480 1.00 32.23 H new ATOM 0 HB2 HIS A 81 -2.783 -1.538 -13.008 1.00 40.13 H new ATOM 0 HB3 HIS A 81 -4.357 -2.181 -13.431 1.00 40.13 H new ATOM 0 HD1 HIS A 81 -0.806 -3.128 -12.929 1.00 44.40 H new ATOM 0 HD2 HIS A 81 -4.294 -4.883 -14.423 1.00 41.40 H new ATOM 0 HE1 HIS A 81 -0.363 -5.622 -13.037 1.00 41.01 H new ATOM 974 N ASP A 82 -3.701 -2.661 -17.138 1.00 33.32 N ATOM 975 CA ASP A 82 -4.486 -3.200 -18.281 1.00 71.20 C ATOM 976 C ASP A 82 -5.210 -2.075 -18.984 1.00 4.22 C ATOM 977 O ASP A 82 -6.258 -2.281 -19.606 1.00 31.31 O ATOM 978 CB ASP A 82 -5.521 -4.265 -17.861 1.00 44.24 C ATOM 979 CG ASP A 82 -4.931 -5.519 -17.296 1.00 64.30 C ATOM 980 OD1 ASP A 82 -4.291 -6.285 -18.054 1.00 51.24 O ATOM 981 OD2 ASP A 82 -5.137 -5.787 -16.107 1.00 54.24 O ATOM 0 H ASP A 82 -2.700 -2.837 -17.222 1.00 33.32 H new ATOM 0 HA ASP A 82 -3.768 -3.681 -18.945 1.00 71.20 H new ATOM 0 HB2 ASP A 82 -6.191 -3.829 -17.120 1.00 44.24 H new ATOM 0 HB3 ASP A 82 -6.129 -4.524 -18.728 1.00 44.24 H new ATOM 986 N GLY A 83 -4.632 -0.899 -18.925 1.00 24.02 N ATOM 987 CA GLY A 83 -5.212 0.248 -19.564 1.00 3.03 C ATOM 988 C GLY A 83 -6.342 0.884 -18.774 1.00 23.35 C ATOM 989 O GLY A 83 -6.857 1.926 -19.170 1.00 34.24 O ATOM 0 H GLY A 83 -3.755 -0.715 -18.437 1.00 24.02 H new ATOM 0 HA2 GLY A 83 -4.433 0.992 -19.730 1.00 3.03 H new ATOM 0 HA3 GLY A 83 -5.587 -0.045 -20.545 1.00 3.03 H new ATOM 993 N GLU A 84 -6.722 0.280 -17.664 1.00 73.23 N ATOM 994 CA GLU A 84 -7.799 0.802 -16.858 1.00 61.44 C ATOM 995 C GLU A 84 -7.217 1.564 -15.698 1.00 2.15 C ATOM 996 O GLU A 84 -6.120 1.235 -15.224 1.00 34.33 O ATOM 997 CB GLU A 84 -8.669 -0.350 -16.325 1.00 41.02 C ATOM 998 CG GLU A 84 -9.944 0.097 -15.621 1.00 73.04 C ATOM 999 CD GLU A 84 -10.781 -1.058 -15.143 1.00 22.04 C ATOM 1000 OE1 GLU A 84 -11.299 -1.820 -15.990 1.00 52.13 O ATOM 1001 OE2 GLU A 84 -10.933 -1.234 -13.907 1.00 13.12 O ATOM 0 H GLU A 84 -6.297 -0.574 -17.303 1.00 73.23 H new ATOM 0 HA GLU A 84 -8.418 1.461 -17.467 1.00 61.44 H new ATOM 0 HB2 GLU A 84 -8.937 -1.001 -17.157 1.00 41.02 H new ATOM 0 HB3 GLU A 84 -8.076 -0.946 -15.632 1.00 41.02 H new ATOM 0 HG2 GLU A 84 -9.682 0.727 -14.771 1.00 73.04 H new ATOM 0 HG3 GLU A 84 -10.534 0.710 -16.302 1.00 73.04 H new ATOM 1008 N ALA A 85 -7.913 2.572 -15.249 1.00 44.43 N ATOM 1009 CA ALA A 85 -7.498 3.268 -14.075 1.00 24.11 C ATOM 1010 C ALA A 85 -8.016 2.474 -12.912 1.00 4.31 C ATOM 1011 O ALA A 85 -9.229 2.318 -12.734 1.00 61.12 O ATOM 1012 CB ALA A 85 -8.040 4.691 -14.055 1.00 11.02 C ATOM 0 H ALA A 85 -8.767 2.925 -15.681 1.00 44.43 H new ATOM 0 HA ALA A 85 -6.412 3.358 -14.037 1.00 24.11 H new ATOM 0 HB1 ALA A 85 -7.706 5.195 -13.148 1.00 11.02 H new ATOM 0 HB2 ALA A 85 -7.673 5.232 -14.927 1.00 11.02 H new ATOM 0 HB3 ALA A 85 -9.130 4.666 -14.076 1.00 11.02 H new ATOM 1018 N LYS A 86 -7.128 1.951 -12.151 1.00 73.24 N ATOM 1019 CA LYS A 86 -7.486 1.081 -11.091 1.00 64.51 C ATOM 1020 C LYS A 86 -7.401 1.835 -9.812 1.00 51.11 C ATOM 1021 O LYS A 86 -6.505 2.672 -9.632 1.00 25.54 O ATOM 1022 CB LYS A 86 -6.533 -0.103 -11.035 1.00 41.23 C ATOM 1023 CG LYS A 86 -6.239 -0.762 -12.379 1.00 52.43 C ATOM 1024 CD LYS A 86 -7.465 -1.331 -13.096 1.00 4.11 C ATOM 1025 CE LYS A 86 -8.088 -2.472 -12.340 1.00 73.53 C ATOM 1026 NZ LYS A 86 -9.217 -3.082 -13.068 1.00 14.11 N ATOM 0 H LYS A 86 -6.126 2.114 -12.245 1.00 73.24 H new ATOM 0 HA LYS A 86 -8.498 0.711 -11.252 1.00 64.51 H new ATOM 0 HB2 LYS A 86 -5.592 0.229 -10.597 1.00 41.23 H new ATOM 0 HB3 LYS A 86 -6.950 -0.854 -10.363 1.00 41.23 H new ATOM 0 HG2 LYS A 86 -5.762 -0.030 -13.030 1.00 52.43 H new ATOM 0 HG3 LYS A 86 -5.520 -1.567 -12.224 1.00 52.43 H new ATOM 0 HD2 LYS A 86 -8.204 -0.541 -13.231 1.00 4.11 H new ATOM 0 HD3 LYS A 86 -7.177 -1.671 -14.091 1.00 4.11 H new ATOM 0 HE2 LYS A 86 -7.331 -3.232 -12.147 1.00 73.53 H new ATOM 0 HE3 LYS A 86 -8.435 -2.115 -11.371 1.00 73.53 H new ATOM 0 HZ1 LYS A 86 -9.502 -3.962 -12.592 1.00 14.11 H new ATOM 0 HZ2 LYS A 86 -10.019 -2.420 -13.082 1.00 14.11 H new ATOM 0 HZ3 LYS A 86 -8.927 -3.295 -14.044 1.00 14.11 H new ATOM 1040 N VAL A 87 -8.309 1.567 -8.948 1.00 12.33 N ATOM 1041 CA VAL A 87 -8.350 2.209 -7.682 1.00 61.23 C ATOM 1042 C VAL A 87 -8.129 1.165 -6.614 1.00 74.00 C ATOM 1043 O VAL A 87 -8.791 0.125 -6.614 1.00 11.40 O ATOM 1044 CB VAL A 87 -9.724 2.920 -7.446 1.00 41.51 C ATOM 1045 CG1 VAL A 87 -9.752 3.648 -6.109 1.00 4.34 C ATOM 1046 CG2 VAL A 87 -10.047 3.883 -8.586 1.00 1.02 C ATOM 0 H VAL A 87 -9.055 0.888 -9.099 1.00 12.33 H new ATOM 0 HA VAL A 87 -7.572 2.972 -7.645 1.00 61.23 H new ATOM 0 HB VAL A 87 -10.491 2.146 -7.423 1.00 41.51 H new ATOM 0 HG11 VAL A 87 -10.721 4.130 -5.978 1.00 4.34 H new ATOM 0 HG12 VAL A 87 -9.590 2.933 -5.302 1.00 4.34 H new ATOM 0 HG13 VAL A 87 -8.965 4.402 -6.089 1.00 4.34 H new ATOM 0 HG21 VAL A 87 -11.007 4.363 -8.396 1.00 1.02 H new ATOM 0 HG22 VAL A 87 -9.268 4.643 -8.652 1.00 1.02 H new ATOM 0 HG23 VAL A 87 -10.097 3.332 -9.525 1.00 1.02 H new ATOM 1056 N ALA A 88 -7.263 1.449 -5.695 1.00 12.13 N ATOM 1057 CA ALA A 88 -6.967 0.520 -4.638 1.00 13.40 C ATOM 1058 C ALA A 88 -7.594 1.042 -3.399 1.00 60.52 C ATOM 1059 O ALA A 88 -7.553 2.249 -3.137 1.00 43.03 O ATOM 1060 CB ALA A 88 -5.473 0.356 -4.453 1.00 62.51 C ATOM 0 H ALA A 88 -6.741 2.324 -5.650 1.00 12.13 H new ATOM 0 HA ALA A 88 -7.364 -0.465 -4.884 1.00 13.40 H new ATOM 0 HB1 ALA A 88 -5.282 -0.352 -3.647 1.00 62.51 H new ATOM 0 HB2 ALA A 88 -5.031 -0.017 -5.377 1.00 62.51 H new ATOM 0 HB3 ALA A 88 -5.030 1.320 -4.202 1.00 62.51 H new ATOM 1066 N LYS A 89 -8.209 0.158 -2.671 1.00 1.03 N ATOM 1067 CA LYS A 89 -9.001 0.515 -1.551 1.00 10.44 C ATOM 1068 C LYS A 89 -8.412 -0.128 -0.313 1.00 72.35 C ATOM 1069 O LYS A 89 -8.324 -1.364 -0.215 1.00 2.42 O ATOM 1070 CB LYS A 89 -10.423 0.042 -1.863 1.00 5.34 C ATOM 1071 CG LYS A 89 -10.899 0.570 -3.229 1.00 50.14 C ATOM 1072 CD LYS A 89 -12.269 0.075 -3.636 1.00 50.33 C ATOM 1073 CE LYS A 89 -12.608 0.530 -5.058 1.00 55.13 C ATOM 1074 NZ LYS A 89 -11.643 0.004 -6.082 1.00 42.41 N ATOM 0 H LYS A 89 -8.168 -0.846 -2.849 1.00 1.03 H new ATOM 0 HA LYS A 89 -9.021 1.588 -1.359 1.00 10.44 H new ATOM 0 HB2 LYS A 89 -10.455 -1.048 -1.860 1.00 5.34 H new ATOM 0 HB3 LYS A 89 -11.102 0.383 -1.082 1.00 5.34 H new ATOM 0 HG2 LYS A 89 -10.911 1.660 -3.202 1.00 50.14 H new ATOM 0 HG3 LYS A 89 -10.177 0.278 -3.992 1.00 50.14 H new ATOM 0 HD2 LYS A 89 -12.299 -1.013 -3.580 1.00 50.33 H new ATOM 0 HD3 LYS A 89 -13.019 0.451 -2.940 1.00 50.33 H new ATOM 0 HE2 LYS A 89 -13.615 0.199 -5.310 1.00 55.13 H new ATOM 0 HE3 LYS A 89 -12.612 1.619 -5.095 1.00 55.13 H new ATOM 0 HZ1 LYS A 89 -12.040 0.136 -7.034 1.00 42.41 H new ATOM 0 HZ2 LYS A 89 -10.743 0.520 -6.008 1.00 42.41 H new ATOM 0 HZ3 LYS A 89 -11.477 -1.009 -5.914 1.00 42.41 H new ATOM 1088 N GLU A 90 -8.048 0.699 0.634 1.00 42.54 N ATOM 1089 CA GLU A 90 -7.282 0.276 1.769 1.00 63.05 C ATOM 1090 C GLU A 90 -7.920 0.693 3.076 1.00 41.31 C ATOM 1091 O GLU A 90 -8.853 1.481 3.118 1.00 35.12 O ATOM 1092 CB GLU A 90 -5.893 0.912 1.694 1.00 21.03 C ATOM 1093 CG GLU A 90 -5.952 2.436 1.685 1.00 51.34 C ATOM 1094 CD GLU A 90 -4.591 3.109 1.668 1.00 0.45 C ATOM 1095 OE1 GLU A 90 -4.015 3.290 0.588 1.00 12.23 O ATOM 1096 OE2 GLU A 90 -4.085 3.487 2.742 1.00 31.13 O ATOM 0 H GLU A 90 -8.279 1.692 0.635 1.00 42.54 H new ATOM 0 HA GLU A 90 -7.229 -0.812 1.744 1.00 63.05 H new ATOM 0 HB2 GLU A 90 -5.297 0.579 2.544 1.00 21.03 H new ATOM 0 HB3 GLU A 90 -5.386 0.565 0.794 1.00 21.03 H new ATOM 0 HG2 GLU A 90 -6.517 2.762 0.812 1.00 51.34 H new ATOM 0 HG3 GLU A 90 -6.501 2.773 2.564 1.00 51.34 H new ATOM 1103 N ARG A 91 -7.405 0.131 4.111 1.00 35.24 N ATOM 1104 CA ARG A 91 -7.739 0.441 5.465 1.00 23.50 C ATOM 1105 C ARG A 91 -6.450 0.501 6.237 1.00 32.25 C ATOM 1106 O ARG A 91 -5.695 -0.479 6.253 1.00 12.41 O ATOM 1107 CB ARG A 91 -8.668 -0.678 6.012 1.00 43.34 C ATOM 1108 CG ARG A 91 -8.679 -0.916 7.534 1.00 54.53 C ATOM 1109 CD ARG A 91 -9.230 0.220 8.369 1.00 14.15 C ATOM 1110 NE ARG A 91 -9.119 -0.127 9.797 1.00 55.41 N ATOM 1111 CZ ARG A 91 -9.759 0.464 10.808 1.00 21.40 C ATOM 1112 NH1 ARG A 91 -10.637 1.429 10.581 1.00 11.52 N ATOM 1113 NH2 ARG A 91 -9.514 0.077 12.044 1.00 23.42 N ATOM 0 H ARG A 91 -6.698 -0.600 4.036 1.00 35.24 H new ATOM 0 HA ARG A 91 -8.262 1.393 5.552 1.00 23.50 H new ATOM 0 HB2 ARG A 91 -9.687 -0.450 5.700 1.00 43.34 H new ATOM 0 HB3 ARG A 91 -8.388 -1.614 5.528 1.00 43.34 H new ATOM 0 HG2 ARG A 91 -9.265 -1.812 7.739 1.00 54.53 H new ATOM 0 HG3 ARG A 91 -7.659 -1.121 7.859 1.00 54.53 H new ATOM 0 HD2 ARG A 91 -8.680 1.138 8.162 1.00 14.15 H new ATOM 0 HD3 ARG A 91 -10.272 0.406 8.108 1.00 14.15 H new ATOM 0 HE ARG A 91 -8.491 -0.894 10.036 1.00 55.41 H new ATOM 0 HH11 ARG A 91 -10.830 1.728 9.625 1.00 11.52 H new ATOM 0 HH12 ARG A 91 -11.120 1.873 11.362 1.00 11.52 H new ATOM 0 HH21 ARG A 91 -8.840 -0.668 12.221 1.00 23.42 H new ATOM 0 HH22 ARG A 91 -9.998 0.523 12.823 1.00 23.42 H new ATOM 1127 N ILE A 92 -6.179 1.625 6.848 1.00 4.21 N ATOM 1128 CA ILE A 92 -5.036 1.734 7.705 1.00 71.44 C ATOM 1129 C ILE A 92 -5.379 1.117 9.020 1.00 4.14 C ATOM 1130 O ILE A 92 -6.337 1.518 9.658 1.00 40.24 O ATOM 1131 CB ILE A 92 -4.595 3.209 7.929 1.00 53.52 C ATOM 1132 CG1 ILE A 92 -4.034 3.822 6.634 1.00 3.11 C ATOM 1133 CG2 ILE A 92 -3.594 3.311 9.068 1.00 60.44 C ATOM 1134 CD1 ILE A 92 -3.496 5.238 6.805 1.00 41.13 C ATOM 0 H ILE A 92 -6.736 2.475 6.766 1.00 4.21 H new ATOM 0 HA ILE A 92 -4.202 1.220 7.227 1.00 71.44 H new ATOM 0 HB ILE A 92 -5.477 3.784 8.211 1.00 53.52 H new ATOM 0 HG12 ILE A 92 -3.235 3.183 6.257 1.00 3.11 H new ATOM 0 HG13 ILE A 92 -4.819 3.831 5.878 1.00 3.11 H new ATOM 0 HG21 ILE A 92 -3.302 4.352 9.204 1.00 60.44 H new ATOM 0 HG22 ILE A 92 -4.048 2.939 9.986 1.00 60.44 H new ATOM 0 HG23 ILE A 92 -2.712 2.715 8.832 1.00 60.44 H new ATOM 0 HD11 ILE A 92 -3.118 5.602 5.849 1.00 41.13 H new ATOM 0 HD12 ILE A 92 -4.296 5.892 7.151 1.00 41.13 H new ATOM 0 HD13 ILE A 92 -2.688 5.234 7.537 1.00 41.13 H new ATOM 1146 N GLU A 93 -4.623 0.153 9.424 1.00 2.32 N ATOM 1147 CA GLU A 93 -4.900 -0.471 10.674 1.00 10.12 C ATOM 1148 C GLU A 93 -3.895 0.014 11.721 1.00 25.53 C ATOM 1149 O GLU A 93 -4.198 0.073 12.909 1.00 44.35 O ATOM 1150 CB GLU A 93 -4.864 -1.985 10.518 1.00 41.34 C ATOM 1151 CG GLU A 93 -5.593 -2.721 11.615 1.00 44.43 C ATOM 1152 CD GLU A 93 -7.058 -2.315 11.655 1.00 21.23 C ATOM 1153 OE1 GLU A 93 -7.811 -2.694 10.738 1.00 24.24 O ATOM 1154 OE2 GLU A 93 -7.474 -1.615 12.597 1.00 61.03 O ATOM 0 H GLU A 93 -3.819 -0.216 8.916 1.00 2.32 H new ATOM 0 HA GLU A 93 -5.900 -0.198 11.012 1.00 10.12 H new ATOM 0 HB2 GLU A 93 -5.303 -2.254 9.557 1.00 41.34 H new ATOM 0 HB3 GLU A 93 -3.826 -2.316 10.498 1.00 41.34 H new ATOM 0 HG2 GLU A 93 -5.513 -3.796 11.454 1.00 44.43 H new ATOM 0 HG3 GLU A 93 -5.125 -2.507 12.576 1.00 44.43 H new ATOM 1161 N ALA A 94 -2.709 0.395 11.259 1.00 51.11 N ATOM 1162 CA ALA A 94 -1.649 0.890 12.130 1.00 74.53 C ATOM 1163 C ALA A 94 -0.607 1.638 11.309 1.00 12.33 C ATOM 1164 O ALA A 94 -0.303 1.228 10.177 1.00 55.54 O ATOM 1165 CB ALA A 94 -0.988 -0.264 12.883 1.00 51.42 C ATOM 0 H ALA A 94 -2.456 0.369 10.271 1.00 51.11 H new ATOM 0 HA ALA A 94 -2.090 1.572 12.857 1.00 74.53 H new ATOM 0 HB1 ALA A 94 -0.200 0.126 13.527 1.00 51.42 H new ATOM 0 HB2 ALA A 94 -1.734 -0.776 13.491 1.00 51.42 H new ATOM 0 HB3 ALA A 94 -0.558 -0.966 12.168 1.00 51.42 H new ATOM 1171 N VAL A 95 -0.086 2.735 11.863 1.00 74.54 N ATOM 1172 CA VAL A 95 0.962 3.536 11.210 1.00 35.24 C ATOM 1173 C VAL A 95 2.062 3.885 12.207 1.00 44.21 C ATOM 1174 O VAL A 95 1.797 4.486 13.269 1.00 11.21 O ATOM 1175 CB VAL A 95 0.415 4.882 10.595 1.00 52.43 C ATOM 1176 CG1 VAL A 95 1.557 5.737 10.057 1.00 41.33 C ATOM 1177 CG2 VAL A 95 -0.543 4.615 9.473 1.00 40.12 C ATOM 0 H VAL A 95 -0.374 3.095 12.773 1.00 74.54 H new ATOM 0 HA VAL A 95 1.349 2.919 10.399 1.00 35.24 H new ATOM 0 HB VAL A 95 -0.100 5.412 11.396 1.00 52.43 H new ATOM 0 HG11 VAL A 95 1.155 6.659 9.638 1.00 41.33 H new ATOM 0 HG12 VAL A 95 2.245 5.976 10.868 1.00 41.33 H new ATOM 0 HG13 VAL A 95 2.088 5.187 9.280 1.00 41.33 H new ATOM 0 HG21 VAL A 95 -0.903 5.561 9.069 1.00 40.12 H new ATOM 0 HG22 VAL A 95 -0.036 4.055 8.687 1.00 40.12 H new ATOM 0 HG23 VAL A 95 -1.387 4.035 9.846 1.00 40.12 H new ATOM 1187 N GLU A 96 3.266 3.504 11.873 1.00 22.45 N ATOM 1188 CA GLU A 96 4.444 3.864 12.620 1.00 72.14 C ATOM 1189 C GLU A 96 5.273 4.802 11.769 1.00 3.31 C ATOM 1190 O GLU A 96 5.869 4.364 10.784 1.00 24.00 O ATOM 1191 CB GLU A 96 5.304 2.641 12.905 1.00 70.55 C ATOM 1192 CG GLU A 96 4.722 1.613 13.848 1.00 60.41 C ATOM 1193 CD GLU A 96 4.531 2.162 15.242 1.00 72.54 C ATOM 1194 OE1 GLU A 96 5.536 2.495 15.903 1.00 33.04 O ATOM 1195 OE2 GLU A 96 3.390 2.247 15.709 1.00 14.00 O ATOM 0 H GLU A 96 3.460 2.923 11.058 1.00 22.45 H new ATOM 0 HA GLU A 96 4.134 4.320 13.560 1.00 72.14 H new ATOM 0 HB2 GLU A 96 5.523 2.149 11.957 1.00 70.55 H new ATOM 0 HB3 GLU A 96 6.255 2.981 13.315 1.00 70.55 H new ATOM 0 HG2 GLU A 96 3.763 1.268 13.460 1.00 60.41 H new ATOM 0 HG3 GLU A 96 5.380 0.745 13.888 1.00 60.41 H new ATOM 1202 N PRO A 97 5.316 6.090 12.101 1.00 53.40 N ATOM 1203 CA PRO A 97 6.122 7.052 11.359 1.00 21.44 C ATOM 1204 C PRO A 97 7.614 6.810 11.575 1.00 40.21 C ATOM 1205 O PRO A 97 8.408 6.932 10.656 1.00 63.14 O ATOM 1206 CB PRO A 97 5.714 8.414 11.950 1.00 32.32 C ATOM 1207 CG PRO A 97 4.469 8.143 12.725 1.00 13.00 C ATOM 1208 CD PRO A 97 4.573 6.728 13.191 1.00 12.12 C ATOM 0 HA PRO A 97 5.956 6.983 10.284 1.00 21.44 H new ATOM 0 HB2 PRO A 97 6.498 8.816 12.591 1.00 32.32 H new ATOM 0 HB3 PRO A 97 5.537 9.148 11.164 1.00 32.32 H new ATOM 0 HG2 PRO A 97 4.379 8.826 13.570 1.00 13.00 H new ATOM 0 HG3 PRO A 97 3.584 8.285 12.104 1.00 13.00 H new ATOM 0 HD2 PRO A 97 5.101 6.651 14.142 1.00 12.12 H new ATOM 0 HD3 PRO A 97 3.592 6.274 13.334 1.00 12.12 H new ATOM 1216 N ASP A 98 7.977 6.461 12.799 1.00 72.33 N ATOM 1217 CA ASP A 98 9.375 6.240 13.148 1.00 44.44 C ATOM 1218 C ASP A 98 9.866 4.865 12.717 1.00 74.32 C ATOM 1219 O ASP A 98 11.006 4.712 12.281 1.00 13.01 O ATOM 1220 CB ASP A 98 9.620 6.479 14.643 1.00 43.40 C ATOM 1221 CG ASP A 98 11.051 6.220 15.071 1.00 31.42 C ATOM 1222 OD1 ASP A 98 11.944 7.006 14.709 1.00 2.45 O ATOM 1223 OD2 ASP A 98 11.297 5.232 15.785 1.00 64.04 O ATOM 0 H ASP A 98 7.323 6.324 13.570 1.00 72.33 H new ATOM 0 HA ASP A 98 9.961 6.972 12.592 1.00 44.44 H new ATOM 0 HB2 ASP A 98 9.357 7.509 14.886 1.00 43.40 H new ATOM 0 HB3 ASP A 98 8.955 5.836 15.219 1.00 43.40 H new ATOM 1228 N LYS A 99 9.002 3.869 12.814 1.00 25.22 N ATOM 1229 CA LYS A 99 9.385 2.512 12.440 1.00 65.41 C ATOM 1230 C LYS A 99 9.172 2.248 10.963 1.00 72.14 C ATOM 1231 O LYS A 99 9.542 1.176 10.466 1.00 31.03 O ATOM 1232 CB LYS A 99 8.623 1.490 13.242 1.00 2.42 C ATOM 1233 CG LYS A 99 8.836 1.621 14.716 1.00 33.24 C ATOM 1234 CD LYS A 99 8.140 0.524 15.441 1.00 0.20 C ATOM 1235 CE LYS A 99 8.266 0.681 16.936 1.00 42.43 C ATOM 1236 NZ LYS A 99 7.700 1.969 17.397 1.00 24.52 N ATOM 0 H LYS A 99 8.042 3.968 13.144 1.00 25.22 H new ATOM 0 HA LYS A 99 10.449 2.421 12.657 1.00 65.41 H new ATOM 0 HB2 LYS A 99 7.559 1.587 13.025 1.00 2.42 H new ATOM 0 HB3 LYS A 99 8.923 0.491 12.925 1.00 2.42 H new ATOM 0 HG2 LYS A 99 9.903 1.594 14.939 1.00 33.24 H new ATOM 0 HG3 LYS A 99 8.463 2.586 15.059 1.00 33.24 H new ATOM 0 HD2 LYS A 99 7.086 0.514 15.163 1.00 0.20 H new ATOM 0 HD3 LYS A 99 8.558 -0.436 15.139 1.00 0.20 H new ATOM 0 HE2 LYS A 99 7.753 -0.142 17.434 1.00 42.43 H new ATOM 0 HE3 LYS A 99 9.316 0.621 17.222 1.00 42.43 H new ATOM 0 HZ1 LYS A 99 7.157 1.817 18.271 1.00 24.52 H new ATOM 0 HZ2 LYS A 99 8.472 2.641 17.581 1.00 24.52 H new ATOM 0 HZ3 LYS A 99 7.073 2.355 16.663 1.00 24.52 H new ATOM 1250 N ASN A 100 8.560 3.221 10.271 1.00 14.02 N ATOM 1251 CA ASN A 100 8.266 3.137 8.819 1.00 11.41 C ATOM 1252 C ASN A 100 7.379 1.927 8.528 1.00 24.25 C ATOM 1253 O ASN A 100 7.545 1.247 7.510 1.00 62.14 O ATOM 1254 CB ASN A 100 9.563 3.023 7.999 1.00 45.11 C ATOM 1255 CG ASN A 100 10.517 4.185 8.180 1.00 41.40 C ATOM 1256 OD1 ASN A 100 10.114 5.314 8.428 1.00 0.34 O ATOM 1257 ND2 ASN A 100 11.793 3.907 8.049 1.00 21.33 N ATOM 0 H ASN A 100 8.251 4.094 10.698 1.00 14.02 H new ATOM 0 HA ASN A 100 7.746 4.051 8.531 1.00 11.41 H new ATOM 0 HB2 ASN A 100 10.075 2.101 8.276 1.00 45.11 H new ATOM 0 HB3 ASN A 100 9.306 2.940 6.943 1.00 45.11 H new ATOM 0 HD21 ASN A 100 12.489 4.645 8.154 1.00 21.33 H new ATOM 0 HD22 ASN A 100 12.088 2.953 7.842 1.00 21.33 H new ATOM 1264 N LEU A 101 6.401 1.710 9.380 1.00 23.34 N ATOM 1265 CA LEU A 101 5.528 0.546 9.294 1.00 22.40 C ATOM 1266 C LEU A 101 4.102 0.981 9.075 1.00 63.12 C ATOM 1267 O LEU A 101 3.635 1.927 9.707 1.00 12.53 O ATOM 1268 CB LEU A 101 5.583 -0.245 10.611 1.00 53.13 C ATOM 1269 CG LEU A 101 4.635 -1.441 10.714 1.00 11.14 C ATOM 1270 CD1 LEU A 101 5.053 -2.558 9.803 1.00 41.23 C ATOM 1271 CD2 LEU A 101 4.482 -1.903 12.144 1.00 63.03 C ATOM 0 H LEU A 101 6.183 2.334 10.157 1.00 23.34 H new ATOM 0 HA LEU A 101 5.865 -0.073 8.462 1.00 22.40 H new ATOM 0 HB2 LEU A 101 6.603 -0.601 10.756 1.00 53.13 H new ATOM 0 HB3 LEU A 101 5.365 0.438 11.432 1.00 53.13 H new ATOM 0 HG LEU A 101 3.652 -1.110 10.378 1.00 11.14 H new ATOM 0 HD11 LEU A 101 4.356 -3.390 9.904 1.00 41.23 H new ATOM 0 HD12 LEU A 101 5.051 -2.206 8.771 1.00 41.23 H new ATOM 0 HD13 LEU A 101 6.056 -2.890 10.071 1.00 41.23 H new ATOM 0 HD21 LEU A 101 3.802 -2.754 12.181 1.00 63.03 H new ATOM 0 HD22 LEU A 101 5.455 -2.199 12.537 1.00 63.03 H new ATOM 0 HD23 LEU A 101 4.079 -1.090 12.748 1.00 63.03 H new ATOM 1283 N ILE A 102 3.413 0.308 8.191 1.00 32.14 N ATOM 1284 CA ILE A 102 2.031 0.599 7.957 1.00 10.13 C ATOM 1285 C ILE A 102 1.297 -0.698 7.583 1.00 33.43 C ATOM 1286 O ILE A 102 1.737 -1.467 6.721 1.00 51.24 O ATOM 1287 CB ILE A 102 1.872 1.742 6.885 1.00 73.55 C ATOM 1288 CG1 ILE A 102 0.413 2.293 6.744 1.00 53.54 C ATOM 1289 CG2 ILE A 102 2.447 1.330 5.540 1.00 24.35 C ATOM 1290 CD1 ILE A 102 -0.619 1.370 6.145 1.00 25.51 C ATOM 0 H ILE A 102 3.792 -0.448 7.621 1.00 32.14 H new ATOM 0 HA ILE A 102 1.569 0.984 8.866 1.00 10.13 H new ATOM 0 HB ILE A 102 2.458 2.578 7.267 1.00 73.55 H new ATOM 0 HG12 ILE A 102 0.067 2.589 7.734 1.00 53.54 H new ATOM 0 HG13 ILE A 102 0.451 3.197 6.136 1.00 53.54 H new ATOM 0 HG21 ILE A 102 2.320 2.143 4.825 1.00 24.35 H new ATOM 0 HG22 ILE A 102 3.508 1.107 5.651 1.00 24.35 H new ATOM 0 HG23 ILE A 102 1.926 0.444 5.178 1.00 24.35 H new ATOM 0 HD11 ILE A 102 -1.583 1.878 6.107 1.00 25.51 H new ATOM 0 HD12 ILE A 102 -0.315 1.091 5.136 1.00 25.51 H new ATOM 0 HD13 ILE A 102 -0.705 0.474 6.759 1.00 25.51 H new ATOM 1302 N THR A 103 0.226 -0.944 8.278 1.00 70.25 N ATOM 1303 CA THR A 103 -0.597 -2.124 8.068 1.00 13.35 C ATOM 1304 C THR A 103 -1.850 -1.789 7.210 1.00 34.12 C ATOM 1305 O THR A 103 -2.680 -0.955 7.615 1.00 2.32 O ATOM 1306 CB THR A 103 -1.045 -2.654 9.442 1.00 13.14 C ATOM 1307 OG1 THR A 103 0.119 -2.813 10.268 1.00 72.25 O ATOM 1308 CG2 THR A 103 -1.751 -3.994 9.313 1.00 65.42 C ATOM 0 H THR A 103 -0.115 -0.331 9.018 1.00 70.25 H new ATOM 0 HA THR A 103 -0.014 -2.874 7.535 1.00 13.35 H new ATOM 0 HB THR A 103 -1.744 -1.943 9.883 1.00 13.14 H new ATOM 0 HG1 THR A 103 -0.148 -3.149 11.149 1.00 72.25 H new ATOM 0 HG21 THR A 103 -2.055 -4.342 10.300 1.00 65.42 H new ATOM 0 HG22 THR A 103 -2.632 -3.882 8.681 1.00 65.42 H new ATOM 0 HG23 THR A 103 -1.073 -4.721 8.865 1.00 65.42 H new ATOM 1316 N PHE A 104 -1.967 -2.435 6.041 1.00 62.25 N ATOM 1317 CA PHE A 104 -3.110 -2.249 5.140 1.00 23.51 C ATOM 1318 C PHE A 104 -4.050 -3.444 5.253 1.00 1.21 C ATOM 1319 O PHE A 104 -3.610 -4.591 5.330 1.00 1.21 O ATOM 1320 CB PHE A 104 -2.672 -2.139 3.655 1.00 1.21 C ATOM 1321 CG PHE A 104 -1.766 -1.007 3.312 1.00 14.41 C ATOM 1322 CD1 PHE A 104 -2.269 0.264 3.099 1.00 2.22 C ATOM 1323 CD2 PHE A 104 -0.411 -1.218 3.168 1.00 1.30 C ATOM 1324 CE1 PHE A 104 -1.430 1.302 2.752 1.00 32.02 C ATOM 1325 CE2 PHE A 104 0.427 -0.187 2.826 1.00 63.10 C ATOM 1326 CZ PHE A 104 -0.077 1.075 2.617 1.00 44.44 C ATOM 0 H PHE A 104 -1.274 -3.099 5.696 1.00 62.25 H new ATOM 0 HA PHE A 104 -3.601 -1.322 5.436 1.00 23.51 H new ATOM 0 HB2 PHE A 104 -2.177 -3.069 3.375 1.00 1.21 H new ATOM 0 HB3 PHE A 104 -3.568 -2.057 3.040 1.00 1.21 H new ATOM 0 HD1 PHE A 104 -3.328 0.445 3.205 1.00 2.22 H new ATOM 0 HD2 PHE A 104 -0.005 -2.206 3.326 1.00 1.30 H new ATOM 0 HE1 PHE A 104 -1.832 2.291 2.586 1.00 32.02 H new ATOM 0 HE2 PHE A 104 1.487 -0.367 2.721 1.00 63.10 H new ATOM 0 HZ PHE A 104 0.584 1.885 2.348 1.00 44.44 H new ATOM 1336 N ARG A 105 -5.316 -3.170 5.265 1.00 24.42 N ATOM 1337 CA ARG A 105 -6.355 -4.182 5.316 1.00 11.35 C ATOM 1338 C ARG A 105 -7.260 -3.926 4.112 1.00 62.22 C ATOM 1339 O ARG A 105 -7.670 -2.789 3.897 1.00 45.52 O ATOM 1340 CB ARG A 105 -7.095 -4.006 6.672 1.00 23.35 C ATOM 1341 CG ARG A 105 -8.173 -5.024 7.072 1.00 14.42 C ATOM 1342 CD ARG A 105 -9.479 -4.949 6.271 1.00 55.05 C ATOM 1343 NE ARG A 105 -10.467 -5.872 6.867 1.00 72.42 N ATOM 1344 CZ ARG A 105 -11.682 -6.188 6.398 1.00 61.44 C ATOM 1345 NH1 ARG A 105 -12.101 -5.743 5.220 1.00 22.22 N ATOM 1346 NH2 ARG A 105 -12.461 -6.987 7.104 1.00 12.31 N ATOM 0 H ARG A 105 -5.678 -2.217 5.239 1.00 24.42 H new ATOM 0 HA ARG A 105 -5.986 -5.206 5.265 1.00 11.35 H new ATOM 0 HB2 ARG A 105 -6.341 -3.999 7.459 1.00 23.35 H new ATOM 0 HB3 ARG A 105 -7.560 -3.020 6.667 1.00 23.35 H new ATOM 0 HG2 ARG A 105 -7.759 -6.027 6.966 1.00 14.42 H new ATOM 0 HG3 ARG A 105 -8.406 -4.885 8.128 1.00 14.42 H new ATOM 0 HD2 ARG A 105 -9.866 -3.930 6.277 1.00 55.05 H new ATOM 0 HD3 ARG A 105 -9.297 -5.215 5.230 1.00 55.05 H new ATOM 0 HE ARG A 105 -10.191 -6.322 7.740 1.00 72.42 H new ATOM 0 HH11 ARG A 105 -11.495 -5.149 4.654 1.00 22.22 H new ATOM 0 HH12 ARG A 105 -13.029 -5.995 4.881 1.00 22.22 H new ATOM 0 HH21 ARG A 105 -12.136 -7.357 7.997 1.00 12.31 H new ATOM 0 HH22 ARG A 105 -13.388 -7.234 6.756 1.00 12.31 H new ATOM 1360 N VAL A 106 -7.547 -4.946 3.307 1.00 40.15 N ATOM 1361 CA VAL A 106 -8.339 -4.711 2.104 1.00 1.12 C ATOM 1362 C VAL A 106 -9.805 -4.480 2.454 1.00 12.22 C ATOM 1363 O VAL A 106 -10.377 -5.181 3.275 1.00 2.52 O ATOM 1364 CB VAL A 106 -8.223 -5.857 1.051 1.00 33.13 C ATOM 1365 CG1 VAL A 106 -8.811 -7.154 1.558 1.00 2.23 C ATOM 1366 CG2 VAL A 106 -8.865 -5.446 -0.269 1.00 73.02 C ATOM 0 H VAL A 106 -7.255 -5.912 3.458 1.00 40.15 H new ATOM 0 HA VAL A 106 -7.923 -3.813 1.646 1.00 1.12 H new ATOM 0 HB VAL A 106 -7.161 -6.032 0.878 1.00 33.13 H new ATOM 0 HG11 VAL A 106 -8.709 -7.924 0.793 1.00 2.23 H new ATOM 0 HG12 VAL A 106 -8.282 -7.465 2.459 1.00 2.23 H new ATOM 0 HG13 VAL A 106 -9.867 -7.010 1.788 1.00 2.23 H new ATOM 0 HG21 VAL A 106 -8.772 -6.260 -0.988 1.00 73.02 H new ATOM 0 HG22 VAL A 106 -9.920 -5.223 -0.107 1.00 73.02 H new ATOM 0 HG23 VAL A 106 -8.363 -4.560 -0.658 1.00 73.02 H new ATOM 1376 N ILE A 107 -10.381 -3.484 1.864 1.00 21.40 N ATOM 1377 CA ILE A 107 -11.788 -3.200 2.057 1.00 23.32 C ATOM 1378 C ILE A 107 -12.571 -3.540 0.789 1.00 41.42 C ATOM 1379 O ILE A 107 -13.769 -3.841 0.840 1.00 31.21 O ATOM 1380 CB ILE A 107 -12.004 -1.737 2.419 1.00 45.51 C ATOM 1381 CG1 ILE A 107 -11.422 -0.876 1.332 1.00 75.02 C ATOM 1382 CG2 ILE A 107 -11.359 -1.418 3.764 1.00 1.20 C ATOM 1383 CD1 ILE A 107 -11.514 0.558 1.596 1.00 13.52 C ATOM 0 H ILE A 107 -9.902 -2.839 1.235 1.00 21.40 H new ATOM 0 HA ILE A 107 -12.149 -3.816 2.881 1.00 23.32 H new ATOM 0 HB ILE A 107 -13.072 -1.536 2.507 1.00 45.51 H new ATOM 0 HG12 ILE A 107 -10.374 -1.143 1.193 1.00 75.02 H new ATOM 0 HG13 ILE A 107 -11.934 -1.096 0.395 1.00 75.02 H new ATOM 0 HG21 ILE A 107 -11.523 -0.368 4.006 1.00 1.20 H new ATOM 0 HG22 ILE A 107 -11.804 -2.043 4.538 1.00 1.20 H new ATOM 0 HG23 ILE A 107 -10.288 -1.614 3.710 1.00 1.20 H new ATOM 0 HD11 ILE A 107 -11.073 1.110 0.766 1.00 13.52 H new ATOM 0 HD12 ILE A 107 -12.561 0.842 1.705 1.00 13.52 H new ATOM 0 HD13 ILE A 107 -10.977 0.794 2.515 1.00 13.52 H new ATOM 1395 N GLU A 108 -11.883 -3.452 -0.338 1.00 14.12 N ATOM 1396 CA GLU A 108 -12.430 -3.812 -1.630 1.00 71.02 C ATOM 1397 C GLU A 108 -12.825 -5.291 -1.678 1.00 32.44 C ATOM 1398 O GLU A 108 -12.073 -6.167 -1.242 1.00 21.14 O ATOM 1399 CB GLU A 108 -11.424 -3.472 -2.734 1.00 3.30 C ATOM 1400 CG GLU A 108 -11.821 -3.944 -4.114 1.00 32.45 C ATOM 1401 CD GLU A 108 -10.888 -3.482 -5.189 1.00 31.41 C ATOM 1402 OE1 GLU A 108 -9.776 -4.020 -5.290 1.00 4.13 O ATOM 1403 OE2 GLU A 108 -11.272 -2.582 -5.961 1.00 60.30 O ATOM 0 H GLU A 108 -10.918 -3.124 -0.378 1.00 14.12 H new ATOM 0 HA GLU A 108 -13.339 -3.233 -1.794 1.00 71.02 H new ATOM 0 HB2 GLU A 108 -11.285 -2.391 -2.760 1.00 3.30 H new ATOM 0 HB3 GLU A 108 -10.460 -3.912 -2.477 1.00 3.30 H new ATOM 0 HG2 GLU A 108 -11.861 -5.033 -4.120 1.00 32.45 H new ATOM 0 HG3 GLU A 108 -12.826 -3.587 -4.337 1.00 32.45 H new ATOM 1410 N GLY A 109 -13.998 -5.556 -2.230 1.00 31.15 N ATOM 1411 CA GLY A 109 -14.509 -6.900 -2.291 1.00 51.20 C ATOM 1412 C GLY A 109 -13.954 -7.696 -3.445 1.00 0.40 C ATOM 1413 O GLY A 109 -14.243 -8.873 -3.570 1.00 52.31 O ATOM 0 H GLY A 109 -14.609 -4.851 -2.641 1.00 31.15 H new ATOM 0 HA2 GLY A 109 -14.275 -7.413 -1.358 1.00 51.20 H new ATOM 0 HA3 GLY A 109 -15.595 -6.865 -2.372 1.00 51.20 H new ATOM 1417 N ASP A 110 -13.159 -7.056 -4.285 1.00 44.22 N ATOM 1418 CA ASP A 110 -12.535 -7.732 -5.428 1.00 62.55 C ATOM 1419 C ASP A 110 -11.606 -8.833 -4.964 1.00 23.03 C ATOM 1420 O ASP A 110 -11.679 -9.942 -5.449 1.00 45.15 O ATOM 1421 CB ASP A 110 -11.771 -6.757 -6.311 1.00 45.13 C ATOM 1422 CG ASP A 110 -11.084 -7.443 -7.473 1.00 32.21 C ATOM 1423 OD1 ASP A 110 -9.916 -7.857 -7.328 1.00 72.02 O ATOM 1424 OD2 ASP A 110 -11.699 -7.557 -8.560 1.00 65.43 O ATOM 0 H ASP A 110 -12.925 -6.067 -4.203 1.00 44.22 H new ATOM 0 HA ASP A 110 -13.341 -8.169 -6.017 1.00 62.55 H new ATOM 0 HB2 ASP A 110 -12.459 -6.003 -6.694 1.00 45.13 H new ATOM 0 HB3 ASP A 110 -11.027 -6.234 -5.710 1.00 45.13 H new ATOM 1429 N LEU A 111 -10.746 -8.516 -4.005 1.00 25.13 N ATOM 1430 CA LEU A 111 -9.827 -9.504 -3.436 1.00 15.44 C ATOM 1431 C LEU A 111 -10.602 -10.492 -2.564 1.00 14.42 C ATOM 1432 O LEU A 111 -10.189 -11.622 -2.345 1.00 13.22 O ATOM 1433 CB LEU A 111 -8.694 -8.825 -2.628 1.00 23.12 C ATOM 1434 CG LEU A 111 -7.782 -7.844 -3.406 1.00 64.41 C ATOM 1435 CD1 LEU A 111 -6.680 -7.292 -2.517 1.00 1.21 C ATOM 1436 CD2 LEU A 111 -7.179 -8.502 -4.632 1.00 53.05 C ATOM 0 H LEU A 111 -10.662 -7.583 -3.602 1.00 25.13 H new ATOM 0 HA LEU A 111 -9.358 -10.048 -4.256 1.00 15.44 H new ATOM 0 HB2 LEU A 111 -9.145 -8.284 -1.796 1.00 23.12 H new ATOM 0 HB3 LEU A 111 -8.067 -9.606 -2.198 1.00 23.12 H new ATOM 0 HG LEU A 111 -8.410 -7.016 -3.734 1.00 64.41 H new ATOM 0 HD11 LEU A 111 -6.057 -6.607 -3.092 1.00 1.21 H new ATOM 0 HD12 LEU A 111 -7.124 -6.760 -1.676 1.00 1.21 H new ATOM 0 HD13 LEU A 111 -6.068 -8.113 -2.144 1.00 1.21 H new ATOM 0 HD21 LEU A 111 -6.545 -7.786 -5.155 1.00 53.05 H new ATOM 0 HD22 LEU A 111 -6.581 -9.361 -4.327 1.00 53.05 H new ATOM 0 HD23 LEU A 111 -7.977 -8.833 -5.297 1.00 53.05 H new ATOM 1448 N MET A 112 -11.744 -10.043 -2.091 1.00 64.12 N ATOM 1449 CA MET A 112 -12.623 -10.847 -1.249 1.00 13.23 C ATOM 1450 C MET A 112 -13.351 -11.931 -2.060 1.00 3.53 C ATOM 1451 O MET A 112 -14.089 -12.737 -1.497 1.00 21.30 O ATOM 1452 CB MET A 112 -13.651 -9.986 -0.533 1.00 72.11 C ATOM 1453 CG MET A 112 -13.140 -8.899 0.456 1.00 12.33 C ATOM 1454 SD MET A 112 -12.409 -9.503 2.028 1.00 52.25 S ATOM 1455 CE MET A 112 -10.792 -10.133 1.567 1.00 41.15 C ATOM 0 H MET A 112 -12.097 -9.104 -2.277 1.00 64.12 H new ATOM 0 HA MET A 112 -11.984 -11.329 -0.509 1.00 13.23 H new ATOM 0 HB2 MET A 112 -14.255 -9.488 -1.292 1.00 72.11 H new ATOM 0 HB3 MET A 112 -14.316 -10.651 0.018 1.00 72.11 H new ATOM 0 HG2 MET A 112 -12.393 -8.294 -0.058 1.00 12.33 H new ATOM 0 HG3 MET A 112 -13.973 -8.239 0.698 1.00 12.33 H new ATOM 0 HE1 MET A 112 -10.771 -11.214 1.703 1.00 41.15 H new ATOM 0 HE2 MET A 112 -10.593 -9.895 0.522 1.00 41.15 H new ATOM 0 HE3 MET A 112 -10.030 -9.673 2.196 1.00 41.15 H new ATOM 1465 N LYS A 113 -13.184 -11.927 -3.383 1.00 32.33 N ATOM 1466 CA LYS A 113 -13.840 -12.929 -4.222 1.00 34.51 C ATOM 1467 C LYS A 113 -13.096 -14.254 -4.119 1.00 25.54 C ATOM 1468 O LYS A 113 -13.650 -15.322 -4.385 1.00 23.44 O ATOM 1469 CB LYS A 113 -13.899 -12.483 -5.686 1.00 32.44 C ATOM 1470 CG LYS A 113 -14.575 -11.136 -5.925 1.00 62.45 C ATOM 1471 CD LYS A 113 -16.004 -11.114 -5.422 1.00 65.34 C ATOM 1472 CE LYS A 113 -16.650 -9.754 -5.654 1.00 71.40 C ATOM 1473 NZ LYS A 113 -16.724 -9.394 -7.092 1.00 53.33 N ATOM 0 H LYS A 113 -12.610 -11.253 -3.890 1.00 32.33 H new ATOM 0 HA LYS A 113 -14.862 -13.050 -3.864 1.00 34.51 H new ATOM 0 HB2 LYS A 113 -12.883 -12.436 -6.077 1.00 32.44 H new ATOM 0 HB3 LYS A 113 -14.427 -13.244 -6.261 1.00 32.44 H new ATOM 0 HG2 LYS A 113 -14.005 -10.352 -5.427 1.00 62.45 H new ATOM 0 HG3 LYS A 113 -14.564 -10.910 -6.991 1.00 62.45 H new ATOM 0 HD2 LYS A 113 -16.583 -11.886 -5.930 1.00 65.34 H new ATOM 0 HD3 LYS A 113 -16.021 -11.351 -4.358 1.00 65.34 H new ATOM 0 HE2 LYS A 113 -17.655 -9.757 -5.232 1.00 71.40 H new ATOM 0 HE3 LYS A 113 -16.083 -8.991 -5.121 1.00 71.40 H new ATOM 0 HZ1 LYS A 113 -17.345 -8.568 -7.212 1.00 53.33 H new ATOM 0 HZ2 LYS A 113 -15.772 -9.165 -7.442 1.00 53.33 H new ATOM 0 HZ3 LYS A 113 -17.107 -10.196 -7.631 1.00 53.33 H new ATOM 1487 N GLU A 114 -11.843 -14.178 -3.750 1.00 52.13 N ATOM 1488 CA GLU A 114 -11.026 -15.368 -3.567 1.00 21.25 C ATOM 1489 C GLU A 114 -10.446 -15.472 -2.186 1.00 54.31 C ATOM 1490 O GLU A 114 -10.199 -16.583 -1.682 1.00 42.55 O ATOM 1491 CB GLU A 114 -9.933 -15.561 -4.635 1.00 30.10 C ATOM 1492 CG GLU A 114 -9.072 -14.356 -4.982 1.00 31.24 C ATOM 1493 CD GLU A 114 -9.806 -13.333 -5.805 1.00 51.33 C ATOM 1494 OE1 GLU A 114 -9.962 -13.545 -7.031 1.00 72.05 O ATOM 1495 OE2 GLU A 114 -10.217 -12.317 -5.267 1.00 3.20 O ATOM 0 H GLU A 114 -11.356 -13.301 -3.567 1.00 52.13 H new ATOM 0 HA GLU A 114 -11.730 -16.189 -3.700 1.00 21.25 H new ATOM 0 HB2 GLU A 114 -9.273 -16.361 -4.300 1.00 30.10 H new ATOM 0 HB3 GLU A 114 -10.414 -15.906 -5.550 1.00 30.10 H new ATOM 0 HG2 GLU A 114 -8.719 -13.890 -4.062 1.00 31.24 H new ATOM 0 HG3 GLU A 114 -8.190 -14.690 -5.528 1.00 31.24 H new ATOM 1502 N TYR A 115 -10.225 -14.358 -1.563 1.00 42.14 N ATOM 1503 CA TYR A 115 -9.702 -14.365 -0.239 1.00 24.03 C ATOM 1504 C TYR A 115 -10.782 -13.877 0.674 1.00 74.50 C ATOM 1505 O TYR A 115 -11.456 -12.932 0.372 1.00 52.03 O ATOM 1506 CB TYR A 115 -8.478 -13.451 -0.129 1.00 33.12 C ATOM 1507 CG TYR A 115 -7.461 -13.671 -1.222 1.00 30.23 C ATOM 1508 CD1 TYR A 115 -6.670 -14.806 -1.262 1.00 73.14 C ATOM 1509 CD2 TYR A 115 -7.319 -12.741 -2.238 1.00 31.04 C ATOM 1510 CE1 TYR A 115 -5.768 -14.997 -2.275 1.00 73.25 C ATOM 1511 CE2 TYR A 115 -6.425 -12.931 -3.256 1.00 71.14 C ATOM 1512 CZ TYR A 115 -5.652 -14.058 -3.269 1.00 43.54 C ATOM 1513 OH TYR A 115 -4.767 -14.260 -4.288 1.00 44.25 O ATOM 0 H TYR A 115 -10.400 -13.432 -1.953 1.00 42.14 H new ATOM 0 HA TYR A 115 -9.387 -15.373 0.030 1.00 24.03 H new ATOM 0 HB2 TYR A 115 -8.807 -12.412 -0.154 1.00 33.12 H new ATOM 0 HB3 TYR A 115 -8.001 -13.611 0.838 1.00 33.12 H new ATOM 0 HD1 TYR A 115 -6.765 -15.550 -0.485 1.00 73.14 H new ATOM 0 HD2 TYR A 115 -7.926 -11.848 -2.227 1.00 31.04 H new ATOM 0 HE1 TYR A 115 -5.151 -15.883 -2.291 1.00 73.25 H new ATOM 0 HE2 TYR A 115 -6.331 -12.197 -4.042 1.00 71.14 H new ATOM 0 HH TYR A 115 -4.142 -14.973 -4.042 1.00 44.25 H new ATOM 1523 N LYS A 116 -10.947 -14.516 1.776 1.00 24.44 N ATOM 1524 CA LYS A 116 -11.967 -14.115 2.728 1.00 1.23 C ATOM 1525 C LYS A 116 -11.396 -13.148 3.753 1.00 65.21 C ATOM 1526 O LYS A 116 -12.082 -12.698 4.674 1.00 75.44 O ATOM 1527 CB LYS A 116 -12.638 -15.351 3.338 1.00 54.32 C ATOM 1528 CG LYS A 116 -11.667 -16.381 3.869 1.00 64.32 C ATOM 1529 CD LYS A 116 -12.341 -17.714 4.180 1.00 13.31 C ATOM 1530 CE LYS A 116 -13.404 -17.605 5.254 1.00 33.21 C ATOM 1531 NZ LYS A 116 -13.989 -18.925 5.561 1.00 34.40 N ATOM 0 H LYS A 116 -10.395 -15.326 2.059 1.00 24.44 H new ATOM 0 HA LYS A 116 -12.756 -13.565 2.215 1.00 1.23 H new ATOM 0 HB2 LYS A 116 -13.293 -15.033 4.149 1.00 54.32 H new ATOM 0 HB3 LYS A 116 -13.270 -15.818 2.583 1.00 54.32 H new ATOM 0 HG2 LYS A 116 -10.875 -16.540 3.137 1.00 64.32 H new ATOM 0 HG3 LYS A 116 -11.194 -15.997 4.773 1.00 64.32 H new ATOM 0 HD2 LYS A 116 -12.792 -18.108 3.269 1.00 13.31 H new ATOM 0 HD3 LYS A 116 -11.585 -18.432 4.497 1.00 13.31 H new ATOM 0 HE2 LYS A 116 -12.969 -17.178 6.158 1.00 33.21 H new ATOM 0 HE3 LYS A 116 -14.189 -16.924 4.925 1.00 33.21 H new ATOM 0 HZ1 LYS A 116 -14.714 -18.820 6.300 1.00 34.40 H new ATOM 0 HZ2 LYS A 116 -14.424 -19.320 4.703 1.00 34.40 H new ATOM 0 HZ3 LYS A 116 -13.242 -19.566 5.897 1.00 34.40 H new ATOM 1545 N SER A 117 -10.136 -12.815 3.542 1.00 24.33 N ATOM 1546 CA SER A 117 -9.409 -11.854 4.326 1.00 25.54 C ATOM 1547 C SER A 117 -8.064 -11.626 3.661 1.00 32.03 C ATOM 1548 O SER A 117 -7.471 -12.576 3.138 1.00 31.00 O ATOM 1549 CB SER A 117 -9.233 -12.364 5.744 1.00 43.33 C ATOM 1550 OG SER A 117 -8.564 -11.424 6.574 1.00 51.33 O ATOM 0 H SER A 117 -9.578 -13.225 2.793 1.00 24.33 H new ATOM 0 HA SER A 117 -9.956 -10.913 4.380 1.00 25.54 H new ATOM 0 HB2 SER A 117 -10.210 -12.592 6.170 1.00 43.33 H new ATOM 0 HB3 SER A 117 -8.668 -13.296 5.725 1.00 43.33 H new ATOM 0 HG SER A 117 -8.473 -11.792 7.478 1.00 51.33 H new ATOM 1556 N PHE A 118 -7.620 -10.380 3.621 1.00 3.45 N ATOM 1557 CA PHE A 118 -6.332 -10.028 3.053 1.00 1.20 C ATOM 1558 C PHE A 118 -5.745 -8.855 3.826 1.00 71.11 C ATOM 1559 O PHE A 118 -6.285 -7.735 3.805 1.00 72.34 O ATOM 1560 CB PHE A 118 -6.456 -9.703 1.540 1.00 4.22 C ATOM 1561 CG PHE A 118 -5.159 -9.319 0.852 1.00 24.14 C ATOM 1562 CD1 PHE A 118 -4.234 -10.278 0.491 1.00 24.41 C ATOM 1563 CD2 PHE A 118 -4.878 -7.997 0.563 1.00 43.32 C ATOM 1564 CE1 PHE A 118 -3.060 -9.931 -0.138 1.00 23.25 C ATOM 1565 CE2 PHE A 118 -3.703 -7.646 -0.070 1.00 50.10 C ATOM 1566 CZ PHE A 118 -2.794 -8.615 -0.419 1.00 5.50 C ATOM 0 H PHE A 118 -8.145 -9.584 3.983 1.00 3.45 H new ATOM 0 HA PHE A 118 -5.659 -10.881 3.140 1.00 1.20 H new ATOM 0 HB2 PHE A 118 -6.875 -10.571 1.032 1.00 4.22 H new ATOM 0 HB3 PHE A 118 -7.169 -8.887 1.417 1.00 4.22 H new ATOM 0 HD1 PHE A 118 -4.435 -11.317 0.706 1.00 24.41 H new ATOM 0 HD2 PHE A 118 -5.587 -7.229 0.836 1.00 43.32 H new ATOM 0 HE1 PHE A 118 -2.348 -10.696 -0.411 1.00 23.25 H new ATOM 0 HE2 PHE A 118 -3.498 -6.609 -0.291 1.00 50.10 H new ATOM 0 HZ PHE A 118 -1.873 -8.342 -0.913 1.00 5.50 H new ATOM 1576 N LEU A 119 -4.677 -9.126 4.523 1.00 45.15 N ATOM 1577 CA LEU A 119 -3.988 -8.149 5.320 1.00 30.12 C ATOM 1578 C LEU A 119 -2.554 -8.056 4.813 1.00 74.10 C ATOM 1579 O LEU A 119 -1.870 -9.078 4.675 1.00 62.03 O ATOM 1580 CB LEU A 119 -3.985 -8.618 6.786 1.00 10.13 C ATOM 1581 CG LEU A 119 -3.357 -7.677 7.819 1.00 41.44 C ATOM 1582 CD1 LEU A 119 -4.168 -6.401 7.957 1.00 53.51 C ATOM 1583 CD2 LEU A 119 -3.210 -8.375 9.158 1.00 51.24 C ATOM 0 H LEU A 119 -4.252 -10.053 4.554 1.00 45.15 H new ATOM 0 HA LEU A 119 -4.476 -7.177 5.252 1.00 30.12 H new ATOM 0 HB2 LEU A 119 -5.017 -8.806 7.083 1.00 10.13 H new ATOM 0 HB3 LEU A 119 -3.460 -9.572 6.835 1.00 10.13 H new ATOM 0 HG LEU A 119 -2.362 -7.402 7.468 1.00 41.44 H new ATOM 0 HD11 LEU A 119 -3.700 -5.751 8.696 1.00 53.51 H new ATOM 0 HD12 LEU A 119 -4.206 -5.889 6.996 1.00 53.51 H new ATOM 0 HD13 LEU A 119 -5.180 -6.646 8.278 1.00 53.51 H new ATOM 0 HD21 LEU A 119 -2.762 -7.690 9.878 1.00 51.24 H new ATOM 0 HD22 LEU A 119 -4.191 -8.687 9.516 1.00 51.24 H new ATOM 0 HD23 LEU A 119 -2.571 -9.250 9.044 1.00 51.24 H new ATOM 1595 N LEU A 120 -2.098 -6.873 4.545 1.00 3.13 N ATOM 1596 CA LEU A 120 -0.758 -6.695 4.049 1.00 23.12 C ATOM 1597 C LEU A 120 -0.073 -5.580 4.787 1.00 30.14 C ATOM 1598 O LEU A 120 -0.552 -4.450 4.824 1.00 41.04 O ATOM 1599 CB LEU A 120 -0.686 -6.474 2.509 1.00 2.13 C ATOM 1600 CG LEU A 120 -1.316 -5.193 1.917 1.00 5.22 C ATOM 1601 CD1 LEU A 120 -0.973 -5.084 0.447 1.00 63.15 C ATOM 1602 CD2 LEU A 120 -2.830 -5.172 2.088 1.00 44.12 C ATOM 0 H LEU A 120 -2.630 -6.011 4.660 1.00 3.13 H new ATOM 0 HA LEU A 120 -0.231 -7.630 4.237 1.00 23.12 H new ATOM 0 HB2 LEU A 120 0.365 -6.490 2.221 1.00 2.13 H new ATOM 0 HB3 LEU A 120 -1.161 -7.329 2.029 1.00 2.13 H new ATOM 0 HG LEU A 120 -0.905 -4.343 2.462 1.00 5.22 H new ATOM 0 HD11 LEU A 120 -1.420 -4.179 0.035 1.00 63.15 H new ATOM 0 HD12 LEU A 120 0.110 -5.041 0.328 1.00 63.15 H new ATOM 0 HD13 LEU A 120 -1.361 -5.954 -0.083 1.00 63.15 H new ATOM 0 HD21 LEU A 120 -3.232 -4.255 1.658 1.00 44.12 H new ATOM 0 HD22 LEU A 120 -3.266 -6.032 1.580 1.00 44.12 H new ATOM 0 HD23 LEU A 120 -3.077 -5.214 3.149 1.00 44.12 H new ATOM 1614 N THR A 121 1.016 -5.887 5.378 1.00 14.11 N ATOM 1615 CA THR A 121 1.728 -4.928 6.140 1.00 4.02 C ATOM 1616 C THR A 121 3.074 -4.664 5.492 1.00 13.24 C ATOM 1617 O THR A 121 3.797 -5.603 5.152 1.00 62.20 O ATOM 1618 CB THR A 121 1.932 -5.450 7.562 1.00 54.00 C ATOM 1619 OG1 THR A 121 0.661 -5.860 8.095 1.00 11.31 O ATOM 1620 CG2 THR A 121 2.502 -4.361 8.438 1.00 1.43 C ATOM 0 H THR A 121 1.444 -6.812 5.350 1.00 14.11 H new ATOM 0 HA THR A 121 1.158 -4.000 6.178 1.00 4.02 H new ATOM 0 HB THR A 121 2.624 -6.292 7.540 1.00 54.00 H new ATOM 0 HG1 THR A 121 0.782 -6.198 9.007 1.00 11.31 H new ATOM 0 HG21 THR A 121 2.643 -4.744 9.449 1.00 1.43 H new ATOM 0 HG22 THR A 121 3.461 -4.035 8.036 1.00 1.43 H new ATOM 0 HG23 THR A 121 1.814 -3.516 8.463 1.00 1.43 H new ATOM 1628 N ILE A 122 3.406 -3.406 5.302 1.00 44.15 N ATOM 1629 CA ILE A 122 4.671 -3.064 4.711 1.00 43.33 C ATOM 1630 C ILE A 122 5.488 -2.264 5.686 1.00 24.43 C ATOM 1631 O ILE A 122 4.939 -1.519 6.518 1.00 15.23 O ATOM 1632 CB ILE A 122 4.546 -2.264 3.385 1.00 3.14 C ATOM 1633 CG1 ILE A 122 3.935 -0.892 3.602 1.00 2.33 C ATOM 1634 CG2 ILE A 122 3.717 -3.033 2.388 1.00 65.14 C ATOM 1635 CD1 ILE A 122 3.914 -0.028 2.347 1.00 62.10 C ATOM 0 H ILE A 122 2.818 -2.610 5.548 1.00 44.15 H new ATOM 0 HA ILE A 122 5.158 -4.009 4.470 1.00 43.33 H new ATOM 0 HB ILE A 122 5.555 -2.124 2.997 1.00 3.14 H new ATOM 0 HG12 ILE A 122 2.915 -1.011 3.968 1.00 2.33 H new ATOM 0 HG13 ILE A 122 4.494 -0.373 4.381 1.00 2.33 H new ATOM 0 HG21 ILE A 122 3.637 -2.461 1.463 1.00 65.14 H new ATOM 0 HG22 ILE A 122 4.193 -3.992 2.182 1.00 65.14 H new ATOM 0 HG23 ILE A 122 2.721 -3.203 2.797 1.00 65.14 H new ATOM 0 HD11 ILE A 122 3.464 0.938 2.577 1.00 62.10 H new ATOM 0 HD12 ILE A 122 4.933 0.123 1.992 1.00 62.10 H new ATOM 0 HD13 ILE A 122 3.330 -0.525 1.573 1.00 62.10 H new ATOM 1647 N GLN A 123 6.768 -2.433 5.622 1.00 1.11 N ATOM 1648 CA GLN A 123 7.653 -1.676 6.439 1.00 30.32 C ATOM 1649 C GLN A 123 8.906 -1.381 5.667 1.00 23.35 C ATOM 1650 O GLN A 123 9.521 -2.289 5.089 1.00 4.01 O ATOM 1651 CB GLN A 123 7.962 -2.416 7.732 1.00 74.02 C ATOM 1652 CG GLN A 123 8.774 -1.608 8.725 1.00 21.51 C ATOM 1653 CD GLN A 123 8.914 -2.302 10.055 1.00 1.14 C ATOM 1654 OE1 GLN A 123 8.937 -3.532 10.131 1.00 1.32 O ATOM 1655 NE2 GLN A 123 8.977 -1.527 11.112 1.00 42.22 N ATOM 0 H GLN A 123 7.228 -3.100 5.002 1.00 1.11 H new ATOM 0 HA GLN A 123 7.177 -0.734 6.713 1.00 30.32 H new ATOM 0 HB2 GLN A 123 7.024 -2.713 8.201 1.00 74.02 H new ATOM 0 HB3 GLN A 123 8.504 -3.331 7.494 1.00 74.02 H new ATOM 0 HG2 GLN A 123 9.765 -1.419 8.311 1.00 21.51 H new ATOM 0 HG3 GLN A 123 8.300 -0.638 8.873 1.00 21.51 H new ATOM 0 HE21 GLN A 123 8.955 -0.513 11.003 1.00 42.22 H new ATOM 0 HE22 GLN A 123 9.048 -1.939 12.043 1.00 42.22 H new ATOM 1664 N VAL A 124 9.280 -0.138 5.634 1.00 70.24 N ATOM 1665 CA VAL A 124 10.454 0.270 4.915 1.00 11.34 C ATOM 1666 C VAL A 124 11.616 0.327 5.871 1.00 23.30 C ATOM 1667 O VAL A 124 11.665 1.157 6.781 1.00 10.12 O ATOM 1668 CB VAL A 124 10.256 1.634 4.220 1.00 62.14 C ATOM 1669 CG1 VAL A 124 11.506 2.041 3.463 1.00 61.12 C ATOM 1670 CG2 VAL A 124 9.067 1.571 3.279 1.00 50.21 C ATOM 0 H VAL A 124 8.784 0.621 6.102 1.00 70.24 H new ATOM 0 HA VAL A 124 10.653 -0.460 4.130 1.00 11.34 H new ATOM 0 HB VAL A 124 10.063 2.386 4.985 1.00 62.14 H new ATOM 0 HG11 VAL A 124 11.342 3.005 2.982 1.00 61.12 H new ATOM 0 HG12 VAL A 124 12.343 2.120 4.157 1.00 61.12 H new ATOM 0 HG13 VAL A 124 11.733 1.291 2.705 1.00 61.12 H new ATOM 0 HG21 VAL A 124 8.936 2.538 2.794 1.00 50.21 H new ATOM 0 HG22 VAL A 124 9.242 0.806 2.523 1.00 50.21 H new ATOM 0 HG23 VAL A 124 8.168 1.324 3.844 1.00 50.21 H new ATOM 1680 N THR A 125 12.522 -0.554 5.690 1.00 24.22 N ATOM 1681 CA THR A 125 13.629 -0.674 6.562 1.00 73.31 C ATOM 1682 C THR A 125 14.922 -0.387 5.813 1.00 14.11 C ATOM 1683 O THR A 125 15.130 -0.908 4.699 1.00 13.55 O ATOM 1684 CB THR A 125 13.649 -2.101 7.141 1.00 30.21 C ATOM 1685 OG1 THR A 125 12.386 -2.360 7.779 1.00 13.20 O ATOM 1686 CG2 THR A 125 14.758 -2.285 8.154 1.00 4.25 C ATOM 0 H THR A 125 12.518 -1.224 4.921 1.00 24.22 H new ATOM 0 HA THR A 125 13.540 0.049 7.373 1.00 73.31 H new ATOM 0 HB THR A 125 13.825 -2.797 6.321 1.00 30.21 H new ATOM 0 HG1 THR A 125 12.387 -3.267 8.150 1.00 13.20 H new ATOM 0 HG21 THR A 125 14.736 -3.305 8.537 1.00 4.25 H new ATOM 0 HG22 THR A 125 15.720 -2.097 7.678 1.00 4.25 H new ATOM 0 HG23 THR A 125 14.618 -1.585 8.978 1.00 4.25 H new ATOM 1694 N PRO A 126 15.795 0.474 6.371 1.00 21.44 N ATOM 1695 CA PRO A 126 17.089 0.734 5.787 1.00 0.52 C ATOM 1696 C PRO A 126 17.983 -0.491 5.967 1.00 73.20 C ATOM 1697 O PRO A 126 18.678 -0.658 6.979 1.00 21.04 O ATOM 1698 CB PRO A 126 17.619 1.951 6.549 1.00 1.02 C ATOM 1699 CG PRO A 126 16.906 1.920 7.861 1.00 34.31 C ATOM 1700 CD PRO A 126 15.575 1.257 7.612 1.00 54.20 C ATOM 0 HA PRO A 126 17.052 0.931 4.715 1.00 0.52 H new ATOM 0 HB2 PRO A 126 18.699 1.893 6.684 1.00 1.02 H new ATOM 0 HB3 PRO A 126 17.414 2.876 6.009 1.00 1.02 H new ATOM 0 HG2 PRO A 126 17.482 1.366 8.602 1.00 34.31 H new ATOM 0 HG3 PRO A 126 16.770 2.928 8.252 1.00 34.31 H new ATOM 0 HD2 PRO A 126 15.286 0.615 8.444 1.00 54.20 H new ATOM 0 HD3 PRO A 126 14.780 1.992 7.486 1.00 54.20 H new ATOM 1708 N LYS A 127 17.872 -1.381 5.031 1.00 41.04 N ATOM 1709 CA LYS A 127 18.562 -2.628 5.072 1.00 72.42 C ATOM 1710 C LYS A 127 19.982 -2.521 4.476 1.00 62.03 C ATOM 1711 O LYS A 127 20.937 -2.837 5.165 1.00 31.34 O ATOM 1712 CB LYS A 127 17.669 -3.737 4.460 1.00 64.42 C ATOM 1713 CG LYS A 127 18.250 -5.128 4.414 1.00 25.34 C ATOM 1714 CD LYS A 127 17.207 -6.109 3.881 1.00 51.41 C ATOM 1715 CE LYS A 127 17.749 -7.528 3.808 1.00 55.05 C ATOM 1716 NZ LYS A 127 18.887 -7.657 2.866 1.00 4.13 N ATOM 0 H LYS A 127 17.289 -1.257 4.203 1.00 41.04 H new ATOM 0 HA LYS A 127 18.741 -2.920 6.107 1.00 72.42 H new ATOM 0 HB2 LYS A 127 16.739 -3.776 5.027 1.00 64.42 H new ATOM 0 HB3 LYS A 127 17.411 -3.443 3.443 1.00 64.42 H new ATOM 0 HG2 LYS A 127 19.134 -5.141 3.777 1.00 25.34 H new ATOM 0 HG3 LYS A 127 18.571 -5.431 5.411 1.00 25.34 H new ATOM 0 HD2 LYS A 127 16.327 -6.089 4.524 1.00 51.41 H new ATOM 0 HD3 LYS A 127 16.884 -5.792 2.889 1.00 51.41 H new ATOM 0 HE2 LYS A 127 18.068 -7.843 4.802 1.00 55.05 H new ATOM 0 HE3 LYS A 127 16.950 -8.203 3.501 1.00 55.05 H new ATOM 0 HZ1 LYS A 127 19.108 -8.663 2.725 1.00 4.13 H new ATOM 0 HZ2 LYS A 127 18.633 -7.227 1.954 1.00 4.13 H new ATOM 0 HZ3 LYS A 127 19.719 -7.171 3.258 1.00 4.13 H new ATOM 1772 N GLY A 132 17.930 3.664 -0.805 1.00 64.24 N ATOM 1773 CA GLY A 132 17.832 2.332 -1.231 1.00 54.11 C ATOM 1774 C GLY A 132 17.464 1.472 -0.071 1.00 50.24 C ATOM 1775 O GLY A 132 18.270 0.697 0.421 1.00 71.02 O ATOM 0 HA2 GLY A 132 17.082 2.243 -2.017 1.00 54.11 H new ATOM 0 HA3 GLY A 132 18.780 2.003 -1.656 1.00 54.11 H new ATOM 1779 N SER A 133 16.264 1.638 0.399 1.00 4.32 N ATOM 1780 CA SER A 133 15.789 0.886 1.513 1.00 72.15 C ATOM 1781 C SER A 133 14.920 -0.276 1.045 1.00 61.04 C ATOM 1782 O SER A 133 14.411 -0.276 -0.085 1.00 72.34 O ATOM 1783 CB SER A 133 15.052 1.797 2.481 1.00 52.32 C ATOM 1784 OG SER A 133 15.931 2.797 2.992 1.00 65.43 O ATOM 0 H SER A 133 15.589 2.300 0.018 1.00 4.32 H new ATOM 0 HA SER A 133 16.638 0.457 2.044 1.00 72.15 H new ATOM 0 HB2 SER A 133 14.209 2.269 1.976 1.00 52.32 H new ATOM 0 HB3 SER A 133 14.643 1.209 3.303 1.00 52.32 H new ATOM 0 HG SER A 133 16.845 2.444 3.024 1.00 65.43 H new ATOM 1790 N ILE A 134 14.761 -1.254 1.894 1.00 32.11 N ATOM 1791 CA ILE A 134 14.042 -2.443 1.553 1.00 31.43 C ATOM 1792 C ILE A 134 12.682 -2.434 2.189 1.00 34.14 C ATOM 1793 O ILE A 134 12.542 -2.181 3.400 1.00 43.12 O ATOM 1794 CB ILE A 134 14.818 -3.691 2.003 1.00 14.30 C ATOM 1795 CG1 ILE A 134 16.138 -3.737 1.261 1.00 63.52 C ATOM 1796 CG2 ILE A 134 14.019 -4.976 1.772 1.00 74.43 C ATOM 1797 CD1 ILE A 134 16.018 -3.829 -0.227 1.00 55.21 C ATOM 0 H ILE A 134 15.129 -1.245 2.845 1.00 32.11 H new ATOM 0 HA ILE A 134 13.927 -2.471 0.469 1.00 31.43 H new ATOM 0 HB ILE A 134 14.997 -3.624 3.076 1.00 14.30 H new ATOM 0 HG12 ILE A 134 16.710 -2.844 1.511 1.00 63.52 H new ATOM 0 HG13 ILE A 134 16.710 -4.593 1.619 1.00 63.52 H new ATOM 0 HG21 ILE A 134 14.605 -5.833 2.104 1.00 74.43 H new ATOM 0 HG22 ILE A 134 13.088 -4.932 2.337 1.00 74.43 H new ATOM 0 HG23 ILE A 134 13.795 -5.079 0.710 1.00 74.43 H new ATOM 0 HD11 ILE A 134 17.013 -3.857 -0.671 1.00 55.21 H new ATOM 0 HD12 ILE A 134 15.477 -4.737 -0.493 1.00 55.21 H new ATOM 0 HD13 ILE A 134 15.477 -2.961 -0.603 1.00 55.21 H new ATOM 1809 N VAL A 135 11.695 -2.697 1.403 1.00 0.15 N ATOM 1810 CA VAL A 135 10.338 -2.733 1.887 1.00 44.40 C ATOM 1811 C VAL A 135 9.997 -4.161 2.176 1.00 2.30 C ATOM 1812 O VAL A 135 10.002 -4.997 1.271 1.00 11.10 O ATOM 1813 CB VAL A 135 9.307 -2.219 0.855 1.00 61.41 C ATOM 1814 CG1 VAL A 135 7.941 -2.019 1.501 1.00 32.33 C ATOM 1815 CG2 VAL A 135 9.771 -0.973 0.160 1.00 61.11 C ATOM 0 H VAL A 135 11.795 -2.894 0.407 1.00 0.15 H new ATOM 0 HA VAL A 135 10.287 -2.087 2.763 1.00 44.40 H new ATOM 0 HB VAL A 135 9.210 -2.988 0.088 1.00 61.41 H new ATOM 0 HG11 VAL A 135 7.235 -1.657 0.754 1.00 32.33 H new ATOM 0 HG12 VAL A 135 7.587 -2.967 1.905 1.00 32.33 H new ATOM 0 HG13 VAL A 135 8.023 -1.289 2.306 1.00 32.33 H new ATOM 0 HG21 VAL A 135 9.013 -0.651 -0.554 1.00 61.11 H new ATOM 0 HG22 VAL A 135 9.934 -0.185 0.896 1.00 61.11 H new ATOM 0 HG23 VAL A 135 10.703 -1.176 -0.367 1.00 61.11 H new ATOM 1825 N HIS A 136 9.722 -4.452 3.400 1.00 61.22 N ATOM 1826 CA HIS A 136 9.347 -5.784 3.758 1.00 40.23 C ATOM 1827 C HIS A 136 7.844 -5.900 3.637 1.00 4.04 C ATOM 1828 O HIS A 136 7.104 -5.273 4.395 1.00 1.40 O ATOM 1829 CB HIS A 136 9.813 -6.136 5.190 1.00 74.21 C ATOM 1830 CG HIS A 136 11.302 -6.118 5.387 1.00 31.31 C ATOM 1831 ND1 HIS A 136 12.121 -7.183 5.085 1.00 21.45 N ATOM 1832 CD2 HIS A 136 12.120 -5.151 5.868 1.00 52.05 C ATOM 1833 CE1 HIS A 136 13.368 -6.872 5.370 1.00 14.01 C ATOM 1834 NE2 HIS A 136 13.400 -5.647 5.846 1.00 75.32 N ATOM 0 H HIS A 136 9.748 -3.788 4.174 1.00 61.22 H new ATOM 0 HA HIS A 136 9.832 -6.492 3.086 1.00 40.23 H new ATOM 0 HB2 HIS A 136 9.359 -5.433 5.888 1.00 74.21 H new ATOM 0 HB3 HIS A 136 9.438 -7.127 5.446 1.00 74.21 H new ATOM 0 HD2 HIS A 136 11.820 -4.170 6.207 1.00 52.05 H new ATOM 0 HE1 HIS A 136 14.224 -7.517 5.235 1.00 14.01 H new ATOM 0 HE2 HIS A 136 14.237 -5.148 6.149 1.00 75.32 H new ATOM 1843 N TRP A 137 7.400 -6.659 2.663 1.00 63.33 N ATOM 1844 CA TRP A 137 5.992 -6.862 2.428 1.00 23.34 C ATOM 1845 C TRP A 137 5.520 -8.132 3.089 1.00 3.33 C ATOM 1846 O TRP A 137 6.048 -9.219 2.823 1.00 1.14 O ATOM 1847 CB TRP A 137 5.685 -6.950 0.929 1.00 65.30 C ATOM 1848 CG TRP A 137 5.819 -5.671 0.148 1.00 1.13 C ATOM 1849 CD1 TRP A 137 6.964 -5.014 -0.238 1.00 63.33 C ATOM 1850 CD2 TRP A 137 4.732 -4.915 -0.377 1.00 43.30 C ATOM 1851 NE1 TRP A 137 6.632 -3.893 -0.953 1.00 35.22 N ATOM 1852 CE2 TRP A 137 5.272 -3.810 -1.050 1.00 44.43 C ATOM 1853 CE3 TRP A 137 3.341 -5.067 -0.332 1.00 45.41 C ATOM 1854 CZ2 TRP A 137 4.473 -2.860 -1.675 1.00 14.13 C ATOM 1855 CZ3 TRP A 137 2.553 -4.125 -0.951 1.00 32.13 C ATOM 1856 CH2 TRP A 137 3.118 -3.039 -1.612 1.00 64.15 C ATOM 0 H TRP A 137 8.008 -7.154 2.010 1.00 63.33 H new ATOM 0 HA TRP A 137 5.469 -6.005 2.853 1.00 23.34 H new ATOM 0 HB2 TRP A 137 6.348 -7.693 0.486 1.00 65.30 H new ATOM 0 HB3 TRP A 137 4.667 -7.320 0.809 1.00 65.30 H new ATOM 0 HD1 TRP A 137 7.971 -5.333 -0.012 1.00 63.33 H new ATOM 0 HE1 TRP A 137 7.295 -3.227 -1.350 1.00 35.22 H new ATOM 0 HE3 TRP A 137 2.895 -5.908 0.179 1.00 45.41 H new ATOM 0 HZ2 TRP A 137 4.904 -2.014 -2.190 1.00 14.13 H new ATOM 0 HZ3 TRP A 137 1.478 -4.230 -0.924 1.00 32.13 H new ATOM 0 HH2 TRP A 137 2.470 -2.318 -2.088 1.00 64.15 H new ATOM 1867 N HIS A 138 4.550 -8.001 3.944 1.00 71.34 N ATOM 1868 CA HIS A 138 3.944 -9.141 4.583 1.00 63.54 C ATOM 1869 C HIS A 138 2.554 -9.271 4.055 1.00 71.40 C ATOM 1870 O HIS A 138 1.725 -8.409 4.315 1.00 21.13 O ATOM 1871 CB HIS A 138 3.845 -8.948 6.102 1.00 64.40 C ATOM 1872 CG HIS A 138 5.131 -8.738 6.802 1.00 62.15 C ATOM 1873 ND1 HIS A 138 5.865 -9.753 7.359 1.00 64.52 N ATOM 1874 CD2 HIS A 138 5.799 -7.607 7.062 1.00 33.34 C ATOM 1875 CE1 HIS A 138 6.928 -9.245 7.933 1.00 34.14 C ATOM 1876 NE2 HIS A 138 6.912 -7.943 7.765 1.00 25.52 N ATOM 0 H HIS A 138 4.153 -7.103 4.221 1.00 71.34 H new ATOM 0 HA HIS A 138 4.554 -10.021 4.379 1.00 63.54 H new ATOM 0 HB2 HIS A 138 3.199 -8.093 6.301 1.00 64.40 H new ATOM 0 HB3 HIS A 138 3.356 -9.823 6.531 1.00 64.40 H new ATOM 0 HD2 HIS A 138 5.507 -6.610 6.767 1.00 33.34 H new ATOM 0 HE1 HIS A 138 7.690 -9.804 8.457 1.00 34.14 H new ATOM 0 HE2 HIS A 138 7.619 -7.291 8.106 1.00 25.52 H new ATOM 1885 N LEU A 139 2.292 -10.296 3.304 1.00 61.23 N ATOM 1886 CA LEU A 139 0.964 -10.514 2.819 1.00 43.30 C ATOM 1887 C LEU A 139 0.408 -11.719 3.521 1.00 51.14 C ATOM 1888 O LEU A 139 0.988 -12.811 3.454 1.00 41.11 O ATOM 1889 CB LEU A 139 0.920 -10.742 1.280 1.00 13.10 C ATOM 1890 CG LEU A 139 1.463 -9.621 0.352 1.00 53.15 C ATOM 1891 CD1 LEU A 139 2.983 -9.499 0.399 1.00 40.31 C ATOM 1892 CD2 LEU A 139 0.975 -9.816 -1.072 1.00 22.14 C ATOM 0 H LEU A 139 2.978 -10.993 3.014 1.00 61.23 H new ATOM 0 HA LEU A 139 0.371 -9.622 3.023 1.00 43.30 H new ATOM 0 HB2 LEU A 139 1.479 -11.652 1.063 1.00 13.10 H new ATOM 0 HB3 LEU A 139 -0.117 -10.930 1.002 1.00 13.10 H new ATOM 0 HG LEU A 139 1.065 -8.679 0.731 1.00 53.15 H new ATOM 0 HD11 LEU A 139 3.305 -8.700 -0.269 1.00 40.31 H new ATOM 0 HD12 LEU A 139 3.298 -9.270 1.417 1.00 40.31 H new ATOM 0 HD13 LEU A 139 3.433 -10.440 0.083 1.00 40.31 H new ATOM 0 HD21 LEU A 139 1.368 -9.019 -1.704 1.00 22.14 H new ATOM 0 HD22 LEU A 139 1.321 -10.780 -1.446 1.00 22.14 H new ATOM 0 HD23 LEU A 139 -0.115 -9.789 -1.090 1.00 22.14 H new ATOM 1904 N GLU A 140 -0.689 -11.541 4.188 1.00 61.53 N ATOM 1905 CA GLU A 140 -1.320 -12.601 4.911 1.00 33.23 C ATOM 1906 C GLU A 140 -2.781 -12.599 4.569 1.00 24.34 C ATOM 1907 O GLU A 140 -3.450 -11.572 4.654 1.00 1.35 O ATOM 1908 CB GLU A 140 -1.087 -12.417 6.409 1.00 72.14 C ATOM 1909 CG GLU A 140 0.390 -12.447 6.779 1.00 61.21 C ATOM 1910 CD GLU A 140 0.647 -12.193 8.229 1.00 23.50 C ATOM 1911 OE1 GLU A 140 0.556 -13.144 9.034 1.00 15.23 O ATOM 1912 OE2 GLU A 140 0.977 -11.043 8.593 1.00 52.01 O ATOM 0 H GLU A 140 -1.177 -10.647 4.247 1.00 61.53 H new ATOM 0 HA GLU A 140 -0.895 -13.566 4.634 1.00 33.23 H new ATOM 0 HB2 GLU A 140 -1.518 -11.468 6.726 1.00 72.14 H new ATOM 0 HB3 GLU A 140 -1.610 -13.203 6.954 1.00 72.14 H new ATOM 0 HG2 GLU A 140 0.804 -13.419 6.510 1.00 61.21 H new ATOM 0 HG3 GLU A 140 0.920 -11.700 6.188 1.00 61.21 H new ATOM 1919 N TYR A 141 -3.265 -13.723 4.174 1.00 75.55 N ATOM 1920 CA TYR A 141 -4.598 -13.832 3.677 1.00 64.22 C ATOM 1921 C TYR A 141 -5.192 -15.207 3.901 1.00 4.23 C ATOM 1922 O TYR A 141 -4.487 -16.156 4.231 1.00 1.35 O ATOM 1923 CB TYR A 141 -4.648 -13.394 2.204 1.00 13.11 C ATOM 1924 CG TYR A 141 -3.594 -14.023 1.307 1.00 41.25 C ATOM 1925 CD1 TYR A 141 -2.338 -13.432 1.148 1.00 75.44 C ATOM 1926 CD2 TYR A 141 -3.843 -15.192 0.638 1.00 35.31 C ATOM 1927 CE1 TYR A 141 -1.373 -14.006 0.347 1.00 3.43 C ATOM 1928 CE2 TYR A 141 -2.891 -15.767 -0.169 1.00 43.10 C ATOM 1929 CZ TYR A 141 -1.660 -15.176 -0.313 1.00 74.42 C ATOM 1930 OH TYR A 141 -0.701 -15.775 -1.111 1.00 33.23 O ATOM 0 H TYR A 141 -2.747 -14.601 4.185 1.00 75.55 H new ATOM 0 HA TYR A 141 -5.230 -13.154 4.250 1.00 64.22 H new ATOM 0 HB2 TYR A 141 -5.633 -13.633 1.803 1.00 13.11 H new ATOM 0 HB3 TYR A 141 -4.540 -12.310 2.160 1.00 13.11 H new ATOM 0 HD1 TYR A 141 -2.119 -12.508 1.662 1.00 75.44 H new ATOM 0 HD2 TYR A 141 -4.805 -15.671 0.747 1.00 35.31 H new ATOM 0 HE1 TYR A 141 -0.404 -13.541 0.240 1.00 3.43 H new ATOM 0 HE2 TYR A 141 -3.112 -16.686 -0.691 1.00 43.10 H new ATOM 0 HH TYR A 141 0.048 -16.073 -0.554 1.00 33.23 H new ATOM 1940 N GLU A 142 -6.475 -15.295 3.737 1.00 52.24 N ATOM 1941 CA GLU A 142 -7.204 -16.513 3.990 1.00 3.04 C ATOM 1942 C GLU A 142 -7.920 -16.923 2.687 1.00 31.51 C ATOM 1943 O GLU A 142 -8.665 -16.115 2.117 1.00 65.32 O ATOM 1944 CB GLU A 142 -8.238 -16.201 5.081 1.00 61.02 C ATOM 1945 CG GLU A 142 -8.914 -17.399 5.704 1.00 53.21 C ATOM 1946 CD GLU A 142 -7.972 -18.218 6.537 1.00 53.50 C ATOM 1947 OE1 GLU A 142 -7.730 -17.847 7.714 1.00 63.32 O ATOM 1948 OE2 GLU A 142 -7.490 -19.243 6.065 1.00 42.43 O ATOM 0 H GLU A 142 -7.058 -14.520 3.421 1.00 52.24 H new ATOM 0 HA GLU A 142 -6.549 -17.323 4.311 1.00 3.04 H new ATOM 0 HB2 GLU A 142 -7.746 -15.633 5.871 1.00 61.02 H new ATOM 0 HB3 GLU A 142 -9.005 -15.555 4.655 1.00 61.02 H new ATOM 0 HG2 GLU A 142 -9.745 -17.062 6.324 1.00 53.21 H new ATOM 0 HG3 GLU A 142 -9.337 -18.024 4.917 1.00 53.21 H new ATOM 1955 N LYS A 143 -7.690 -18.141 2.214 1.00 14.41 N ATOM 1956 CA LYS A 143 -8.318 -18.620 0.973 1.00 60.21 C ATOM 1957 C LYS A 143 -9.753 -19.036 1.208 1.00 23.44 C ATOM 1958 O LYS A 143 -10.056 -19.721 2.178 1.00 62.14 O ATOM 1959 CB LYS A 143 -7.585 -19.854 0.358 1.00 63.53 C ATOM 1960 CG LYS A 143 -6.269 -19.622 -0.394 1.00 0.35 C ATOM 1961 CD LYS A 143 -5.191 -18.985 0.436 1.00 71.11 C ATOM 1962 CE LYS A 143 -3.876 -18.939 -0.331 1.00 55.20 C ATOM 1963 NZ LYS A 143 -3.270 -20.276 -0.523 1.00 62.01 N ATOM 0 H LYS A 143 -7.076 -18.820 2.664 1.00 14.41 H new ATOM 0 HA LYS A 143 -8.258 -17.778 0.284 1.00 60.21 H new ATOM 0 HB2 LYS A 143 -7.386 -20.558 1.166 1.00 63.53 H new ATOM 0 HB3 LYS A 143 -8.277 -20.343 -0.328 1.00 63.53 H new ATOM 0 HG2 LYS A 143 -5.905 -20.578 -0.771 1.00 0.35 H new ATOM 0 HG3 LYS A 143 -6.465 -18.991 -1.261 1.00 0.35 H new ATOM 0 HD2 LYS A 143 -5.490 -17.975 0.716 1.00 71.11 H new ATOM 0 HD3 LYS A 143 -5.058 -19.546 1.361 1.00 71.11 H new ATOM 0 HE2 LYS A 143 -4.046 -18.480 -1.305 1.00 55.20 H new ATOM 0 HE3 LYS A 143 -3.172 -18.301 0.204 1.00 55.20 H new ATOM 0 HZ1 LYS A 143 -2.283 -20.169 -0.832 1.00 62.01 H new ATOM 0 HZ2 LYS A 143 -3.297 -20.801 0.374 1.00 62.01 H new ATOM 0 HZ3 LYS A 143 -3.804 -20.799 -1.246 1.00 62.01 H new ATOM 1977 N ILE A 144 -10.638 -18.617 0.329 1.00 41.33 N ATOM 1978 CA ILE A 144 -11.986 -19.153 0.336 1.00 65.04 C ATOM 1979 C ILE A 144 -11.881 -20.517 -0.299 1.00 14.44 C ATOM 1980 O ILE A 144 -12.434 -21.507 0.169 1.00 53.02 O ATOM 1981 CB ILE A 144 -12.938 -18.294 -0.512 1.00 43.32 C ATOM 1982 CG1 ILE A 144 -12.987 -16.881 0.023 1.00 21.52 C ATOM 1983 CG2 ILE A 144 -14.333 -18.900 -0.522 1.00 32.01 C ATOM 1984 CD1 ILE A 144 -13.812 -15.953 -0.819 1.00 12.41 C ATOM 0 H ILE A 144 -10.455 -17.917 -0.390 1.00 41.33 H new ATOM 0 HA ILE A 144 -12.380 -19.178 1.352 1.00 65.04 H new ATOM 0 HB ILE A 144 -12.562 -18.268 -1.535 1.00 43.32 H new ATOM 0 HG12 ILE A 144 -13.391 -16.898 1.035 1.00 21.52 H new ATOM 0 HG13 ILE A 144 -11.971 -16.491 0.092 1.00 21.52 H new ATOM 0 HG21 ILE A 144 -14.995 -18.280 -1.127 1.00 32.01 H new ATOM 0 HG22 ILE A 144 -14.291 -19.904 -0.944 1.00 32.01 H new ATOM 0 HG23 ILE A 144 -14.715 -18.951 0.498 1.00 32.01 H new ATOM 0 HD11 ILE A 144 -13.804 -14.957 -0.377 1.00 12.41 H new ATOM 0 HD12 ILE A 144 -13.395 -15.907 -1.825 1.00 12.41 H new ATOM 0 HD13 ILE A 144 -14.837 -16.320 -0.867 1.00 12.41 H new ATOM 1996 N SER A 145 -11.130 -20.530 -1.358 1.00 62.41 N ATOM 1997 CA SER A 145 -10.786 -21.681 -2.094 1.00 1.14 C ATOM 1998 C SER A 145 -9.405 -21.395 -2.657 1.00 52.31 C ATOM 1999 O SER A 145 -9.062 -20.225 -2.888 1.00 54.12 O ATOM 2000 CB SER A 145 -11.813 -21.939 -3.199 1.00 21.22 C ATOM 2001 OG SER A 145 -11.509 -23.111 -3.944 1.00 42.52 O ATOM 0 H SER A 145 -10.722 -19.679 -1.745 1.00 62.41 H new ATOM 0 HA SER A 145 -10.780 -22.582 -1.480 1.00 1.14 H new ATOM 0 HB2 SER A 145 -12.805 -22.037 -2.757 1.00 21.22 H new ATOM 0 HB3 SER A 145 -11.847 -21.081 -3.870 1.00 21.22 H new ATOM 0 HG SER A 145 -12.188 -23.243 -4.638 1.00 42.52 H new ATOM 2007 N GLU A 146 -8.631 -22.411 -2.863 1.00 50.11 N ATOM 2008 CA GLU A 146 -7.245 -22.259 -3.254 1.00 54.35 C ATOM 2009 C GLU A 146 -7.108 -21.963 -4.711 1.00 15.25 C ATOM 2010 O GLU A 146 -6.433 -21.023 -5.097 1.00 50.50 O ATOM 2011 CB GLU A 146 -6.514 -23.514 -2.957 1.00 44.35 C ATOM 2012 CG GLU A 146 -6.609 -23.934 -1.514 1.00 33.34 C ATOM 2013 CD GLU A 146 -5.833 -25.171 -1.228 1.00 24.22 C ATOM 2014 OE1 GLU A 146 -6.362 -26.278 -1.440 1.00 53.12 O ATOM 2015 OE2 GLU A 146 -4.689 -25.065 -0.781 1.00 61.34 O ATOM 0 H GLU A 146 -8.933 -23.380 -2.767 1.00 50.11 H new ATOM 0 HA GLU A 146 -6.831 -21.422 -2.692 1.00 54.35 H new ATOM 0 HB2 GLU A 146 -6.907 -24.312 -3.587 1.00 44.35 H new ATOM 0 HB3 GLU A 146 -5.465 -23.386 -3.222 1.00 44.35 H new ATOM 0 HG2 GLU A 146 -6.245 -23.126 -0.879 1.00 33.34 H new ATOM 0 HG3 GLU A 146 -7.655 -24.097 -1.255 1.00 33.34 H new ATOM 2022 N GLU A 147 -7.766 -22.768 -5.519 1.00 41.41 N ATOM 2023 CA GLU A 147 -7.717 -22.637 -6.971 1.00 4.42 C ATOM 2024 C GLU A 147 -8.314 -21.311 -7.420 1.00 62.32 C ATOM 2025 O GLU A 147 -8.030 -20.816 -8.506 1.00 43.31 O ATOM 2026 CB GLU A 147 -8.464 -23.801 -7.626 1.00 51.22 C ATOM 2027 CG GLU A 147 -9.923 -23.916 -7.202 1.00 14.14 C ATOM 2028 CD GLU A 147 -10.634 -25.046 -7.882 1.00 51.24 C ATOM 2029 OE1 GLU A 147 -11.162 -24.841 -8.997 1.00 62.24 O ATOM 2030 OE2 GLU A 147 -10.681 -26.164 -7.329 1.00 22.23 O ATOM 0 H GLU A 147 -8.353 -23.535 -5.192 1.00 41.41 H new ATOM 0 HA GLU A 147 -6.673 -22.661 -7.282 1.00 4.42 H new ATOM 0 HB2 GLU A 147 -8.419 -23.685 -8.709 1.00 51.22 H new ATOM 0 HB3 GLU A 147 -7.951 -24.732 -7.383 1.00 51.22 H new ATOM 0 HG2 GLU A 147 -9.974 -24.057 -6.122 1.00 14.14 H new ATOM 0 HG3 GLU A 147 -10.437 -22.981 -7.426 1.00 14.14 H new ATOM 2037 N VAL A 148 -9.113 -20.732 -6.568 1.00 52.23 N ATOM 2038 CA VAL A 148 -9.778 -19.486 -6.907 1.00 53.44 C ATOM 2039 C VAL A 148 -8.838 -18.304 -6.626 1.00 34.52 C ATOM 2040 O VAL A 148 -8.975 -17.229 -7.203 1.00 43.32 O ATOM 2041 CB VAL A 148 -11.139 -19.321 -6.141 1.00 12.52 C ATOM 2042 CG1 VAL A 148 -11.909 -18.114 -6.649 1.00 21.45 C ATOM 2043 CG2 VAL A 148 -11.978 -20.573 -6.311 1.00 23.23 C ATOM 0 H VAL A 148 -9.325 -21.093 -5.638 1.00 52.23 H new ATOM 0 HA VAL A 148 -10.017 -19.506 -7.970 1.00 53.44 H new ATOM 0 HB VAL A 148 -10.920 -19.167 -5.084 1.00 12.52 H new ATOM 0 HG11 VAL A 148 -12.847 -18.024 -6.101 1.00 21.45 H new ATOM 0 HG12 VAL A 148 -11.314 -17.213 -6.500 1.00 21.45 H new ATOM 0 HG13 VAL A 148 -12.120 -18.238 -7.711 1.00 21.45 H new ATOM 0 HG21 VAL A 148 -12.921 -20.454 -5.778 1.00 23.23 H new ATOM 0 HG22 VAL A 148 -12.178 -20.736 -7.370 1.00 23.23 H new ATOM 0 HG23 VAL A 148 -11.439 -21.430 -5.907 1.00 23.23 H new ATOM 2053 N ALA A 149 -7.845 -18.545 -5.785 1.00 32.42 N ATOM 2054 CA ALA A 149 -6.893 -17.524 -5.379 1.00 3.34 C ATOM 2055 C ALA A 149 -5.877 -17.233 -6.487 1.00 10.01 C ATOM 2056 O ALA A 149 -5.797 -17.961 -7.483 1.00 30.22 O ATOM 2057 CB ALA A 149 -6.184 -17.950 -4.104 1.00 1.32 C ATOM 0 H ALA A 149 -7.676 -19.458 -5.363 1.00 32.42 H new ATOM 0 HA ALA A 149 -7.445 -16.604 -5.189 1.00 3.34 H new ATOM 0 HB1 ALA A 149 -5.473 -17.179 -3.808 1.00 1.32 H new ATOM 0 HB2 ALA A 149 -6.917 -18.092 -3.310 1.00 1.32 H new ATOM 0 HB3 ALA A 149 -5.653 -18.886 -4.278 1.00 1.32 H new ATOM 2063 N HIS A 150 -5.107 -16.169 -6.309 1.00 24.21 N ATOM 2064 CA HIS A 150 -4.096 -15.760 -7.274 1.00 4.32 C ATOM 2065 C HIS A 150 -2.985 -14.900 -6.652 1.00 65.53 C ATOM 2066 O HIS A 150 -3.024 -13.677 -6.720 1.00 42.02 O ATOM 2067 CB HIS A 150 -4.707 -15.115 -8.571 1.00 74.31 C ATOM 2068 CG HIS A 150 -5.646 -13.920 -8.389 1.00 40.03 C ATOM 2069 ND1 HIS A 150 -6.131 -13.185 -9.450 1.00 32.01 N ATOM 2070 CD2 HIS A 150 -6.201 -13.363 -7.282 1.00 33.22 C ATOM 2071 CE1 HIS A 150 -6.930 -12.240 -9.009 1.00 13.40 C ATOM 2072 NE2 HIS A 150 -6.990 -12.325 -7.703 1.00 4.23 N ATOM 0 H HIS A 150 -5.166 -15.564 -5.490 1.00 24.21 H new ATOM 0 HA HIS A 150 -3.614 -16.682 -7.599 1.00 4.32 H new ATOM 0 HB2 HIS A 150 -3.883 -14.801 -9.211 1.00 74.31 H new ATOM 0 HB3 HIS A 150 -5.251 -15.891 -9.109 1.00 74.31 H new ATOM 0 HD2 HIS A 150 -6.049 -13.679 -6.261 1.00 33.22 H new ATOM 0 HE1 HIS A 150 -7.449 -11.516 -9.619 1.00 13.40 H new ATOM 0 HE2 HIS A 150 -7.537 -11.715 -7.096 1.00 4.23 H new ATOM 2081 N PRO A 151 -2.008 -15.542 -5.951 1.00 23.03 N ATOM 2082 CA PRO A 151 -0.825 -14.845 -5.381 1.00 63.21 C ATOM 2083 C PRO A 151 -0.042 -14.075 -6.445 1.00 4.43 C ATOM 2084 O PRO A 151 0.645 -13.089 -6.146 1.00 14.54 O ATOM 2085 CB PRO A 151 0.027 -15.982 -4.821 1.00 50.13 C ATOM 2086 CG PRO A 151 -0.946 -17.061 -4.525 1.00 63.22 C ATOM 2087 CD PRO A 151 -2.001 -16.980 -5.595 1.00 55.21 C ATOM 0 HA PRO A 151 -1.112 -14.103 -4.636 1.00 63.21 H new ATOM 0 HB2 PRO A 151 0.776 -16.309 -5.542 1.00 50.13 H new ATOM 0 HB3 PRO A 151 0.562 -15.672 -3.923 1.00 50.13 H new ATOM 0 HG2 PRO A 151 -0.459 -18.036 -4.531 1.00 63.22 H new ATOM 0 HG3 PRO A 151 -1.384 -16.930 -3.536 1.00 63.22 H new ATOM 0 HD2 PRO A 151 -1.755 -17.606 -6.452 1.00 55.21 H new ATOM 0 HD3 PRO A 151 -2.973 -17.309 -5.228 1.00 55.21 H new ATOM 2095 N GLU A 152 -0.171 -14.533 -7.680 1.00 64.32 N ATOM 2096 CA GLU A 152 0.436 -13.915 -8.846 1.00 65.43 C ATOM 2097 C GLU A 152 0.094 -12.429 -8.924 1.00 33.21 C ATOM 2098 O GLU A 152 0.980 -11.584 -9.083 1.00 31.45 O ATOM 2099 CB GLU A 152 -0.096 -14.626 -10.099 1.00 73.12 C ATOM 2100 CG GLU A 152 0.325 -14.012 -11.420 1.00 20.44 C ATOM 2101 CD GLU A 152 -0.231 -14.774 -12.595 1.00 22.33 C ATOM 2102 OE1 GLU A 152 -1.376 -14.506 -13.020 1.00 35.20 O ATOM 2103 OE2 GLU A 152 0.457 -15.670 -13.107 1.00 14.50 O ATOM 0 H GLU A 152 -0.715 -15.366 -7.904 1.00 64.32 H new ATOM 0 HA GLU A 152 1.520 -14.008 -8.776 1.00 65.43 H new ATOM 0 HB2 GLU A 152 0.237 -15.664 -10.077 1.00 73.12 H new ATOM 0 HB3 GLU A 152 -1.185 -14.640 -10.054 1.00 73.12 H new ATOM 0 HG2 GLU A 152 -0.015 -12.977 -11.464 1.00 20.44 H new ATOM 0 HG3 GLU A 152 1.413 -13.993 -11.481 1.00 20.44 H new ATOM 2110 N THR A 153 -1.165 -12.114 -8.747 1.00 54.14 N ATOM 2111 CA THR A 153 -1.624 -10.760 -8.882 1.00 54.10 C ATOM 2112 C THR A 153 -1.280 -9.955 -7.641 1.00 62.24 C ATOM 2113 O THR A 153 -1.041 -8.754 -7.719 1.00 74.51 O ATOM 2114 CB THR A 153 -3.135 -10.713 -9.160 1.00 34.44 C ATOM 2115 OG1 THR A 153 -3.844 -11.259 -8.044 1.00 21.05 O ATOM 2116 CG2 THR A 153 -3.456 -11.548 -10.391 1.00 3.03 C ATOM 0 H THR A 153 -1.894 -12.786 -8.507 1.00 54.14 H new ATOM 0 HA THR A 153 -1.114 -10.313 -9.735 1.00 54.10 H new ATOM 0 HB THR A 153 -3.433 -9.677 -9.324 1.00 34.44 H new ATOM 0 HG1 THR A 153 -3.392 -12.072 -7.735 1.00 21.05 H new ATOM 0 HG21 THR A 153 -4.528 -11.513 -10.585 1.00 3.03 H new ATOM 0 HG22 THR A 153 -2.918 -11.150 -11.251 1.00 3.03 H new ATOM 0 HG23 THR A 153 -3.152 -12.581 -10.219 1.00 3.03 H new ATOM 2124 N LEU A 154 -1.239 -10.633 -6.501 1.00 34.02 N ATOM 2125 CA LEU A 154 -0.896 -10.006 -5.231 1.00 34.51 C ATOM 2126 C LEU A 154 0.525 -9.474 -5.275 1.00 40.21 C ATOM 2127 O LEU A 154 0.806 -8.369 -4.803 1.00 0.31 O ATOM 2128 CB LEU A 154 -1.034 -11.002 -4.081 1.00 40.21 C ATOM 2129 CG LEU A 154 -2.415 -11.619 -3.872 1.00 23.30 C ATOM 2130 CD1 LEU A 154 -2.371 -12.598 -2.722 1.00 14.22 C ATOM 2131 CD2 LEU A 154 -3.449 -10.544 -3.593 1.00 75.30 C ATOM 0 H LEU A 154 -1.442 -11.630 -6.431 1.00 34.02 H new ATOM 0 HA LEU A 154 -1.586 -9.179 -5.064 1.00 34.51 H new ATOM 0 HB2 LEU A 154 -0.321 -11.810 -4.243 1.00 40.21 H new ATOM 0 HB3 LEU A 154 -0.742 -10.500 -3.159 1.00 40.21 H new ATOM 0 HG LEU A 154 -2.700 -12.143 -4.784 1.00 23.30 H new ATOM 0 HD11 LEU A 154 -3.359 -13.035 -2.578 1.00 14.22 H new ATOM 0 HD12 LEU A 154 -1.654 -13.388 -2.944 1.00 14.22 H new ATOM 0 HD13 LEU A 154 -2.068 -12.078 -1.813 1.00 14.22 H new ATOM 0 HD21 LEU A 154 -4.425 -11.007 -3.447 1.00 75.30 H new ATOM 0 HD22 LEU A 154 -3.170 -9.995 -2.693 1.00 75.30 H new ATOM 0 HD23 LEU A 154 -3.496 -9.856 -4.437 1.00 75.30 H new ATOM 2143 N LEU A 155 1.418 -10.251 -5.867 1.00 43.31 N ATOM 2144 CA LEU A 155 2.765 -9.876 -5.996 1.00 2.12 C ATOM 2145 C LEU A 155 2.898 -8.727 -6.996 1.00 5.25 C ATOM 2146 O LEU A 155 3.698 -7.818 -6.806 1.00 23.14 O ATOM 2147 CB LEU A 155 3.580 -11.083 -6.408 1.00 11.24 C ATOM 2148 CG LEU A 155 5.041 -10.824 -6.634 1.00 54.20 C ATOM 2149 CD1 LEU A 155 5.707 -10.250 -5.380 1.00 34.44 C ATOM 2150 CD2 LEU A 155 5.743 -12.071 -7.083 1.00 11.24 C ATOM 0 H LEU A 155 1.198 -11.163 -6.266 1.00 43.31 H new ATOM 0 HA LEU A 155 3.147 -9.517 -5.040 1.00 2.12 H new ATOM 0 HB2 LEU A 155 3.478 -11.849 -5.639 1.00 11.24 H new ATOM 0 HB3 LEU A 155 3.155 -11.493 -7.324 1.00 11.24 H new ATOM 0 HG LEU A 155 5.124 -10.080 -7.426 1.00 54.20 H new ATOM 0 HD11 LEU A 155 6.764 -10.074 -5.578 1.00 34.44 H new ATOM 0 HD12 LEU A 155 5.227 -9.309 -5.111 1.00 34.44 H new ATOM 0 HD13 LEU A 155 5.605 -10.958 -4.557 1.00 34.44 H new ATOM 0 HD21 LEU A 155 6.800 -11.857 -7.240 1.00 11.24 H new ATOM 0 HD22 LEU A 155 5.638 -12.842 -6.320 1.00 11.24 H new ATOM 0 HD23 LEU A 155 5.301 -12.421 -8.016 1.00 11.24 H new ATOM 2162 N GLN A 156 2.081 -8.749 -8.041 1.00 62.45 N ATOM 2163 CA GLN A 156 2.081 -7.664 -9.009 1.00 11.43 C ATOM 2164 C GLN A 156 1.521 -6.393 -8.389 1.00 13.41 C ATOM 2165 O GLN A 156 1.958 -5.300 -8.708 1.00 61.53 O ATOM 2166 CB GLN A 156 1.310 -8.022 -10.257 1.00 73.13 C ATOM 2167 CG GLN A 156 1.867 -9.215 -10.994 1.00 72.51 C ATOM 2168 CD GLN A 156 1.196 -9.410 -12.312 1.00 55.53 C ATOM 2169 OE1 GLN A 156 0.183 -10.106 -12.423 1.00 75.35 O ATOM 2170 NE2 GLN A 156 1.739 -8.791 -13.315 1.00 32.42 N ATOM 0 H GLN A 156 1.417 -9.498 -8.238 1.00 62.45 H new ATOM 0 HA GLN A 156 3.117 -7.490 -9.300 1.00 11.43 H new ATOM 0 HB2 GLN A 156 0.273 -8.224 -9.987 1.00 73.13 H new ATOM 0 HB3 GLN A 156 1.303 -7.163 -10.928 1.00 73.13 H new ATOM 0 HG2 GLN A 156 2.938 -9.081 -11.147 1.00 72.51 H new ATOM 0 HG3 GLN A 156 1.741 -10.110 -10.385 1.00 72.51 H new ATOM 0 HE21 GLN A 156 2.577 -8.227 -13.173 1.00 32.42 H new ATOM 0 HE22 GLN A 156 1.328 -8.869 -14.245 1.00 32.42 H new ATOM 2179 N PHE A 157 0.559 -6.555 -7.475 1.00 2.53 N ATOM 2180 CA PHE A 157 -0.028 -5.433 -6.736 1.00 53.23 C ATOM 2181 C PHE A 157 1.058 -4.741 -5.932 1.00 13.40 C ATOM 2182 O PHE A 157 1.090 -3.517 -5.833 1.00 14.33 O ATOM 2183 CB PHE A 157 -1.175 -5.927 -5.819 1.00 64.42 C ATOM 2184 CG PHE A 157 -1.840 -4.853 -4.973 1.00 20.02 C ATOM 2185 CD1 PHE A 157 -2.636 -3.883 -5.563 1.00 11.10 C ATOM 2186 CD2 PHE A 157 -1.663 -4.819 -3.588 1.00 2.53 C ATOM 2187 CE1 PHE A 157 -3.247 -2.902 -4.799 1.00 2.45 C ATOM 2188 CE2 PHE A 157 -2.277 -3.832 -2.816 1.00 65.11 C ATOM 2189 CZ PHE A 157 -3.067 -2.877 -3.429 1.00 32.40 C ATOM 0 H PHE A 157 0.167 -7.463 -7.227 1.00 2.53 H new ATOM 0 HA PHE A 157 -0.455 -4.718 -7.439 1.00 53.23 H new ATOM 0 HB2 PHE A 157 -1.936 -6.400 -6.440 1.00 64.42 H new ATOM 0 HB3 PHE A 157 -0.781 -6.697 -5.155 1.00 64.42 H new ATOM 0 HD1 PHE A 157 -2.782 -3.892 -6.633 1.00 11.10 H new ATOM 0 HD2 PHE A 157 -1.045 -5.564 -3.110 1.00 2.53 H new ATOM 0 HE1 PHE A 157 -3.865 -2.155 -5.275 1.00 2.45 H new ATOM 0 HE2 PHE A 157 -2.136 -3.814 -1.745 1.00 65.11 H new ATOM 0 HZ PHE A 157 -3.544 -2.110 -2.836 1.00 32.40 H new ATOM 2199 N CYS A 158 1.966 -5.539 -5.396 1.00 14.43 N ATOM 2200 CA CYS A 158 3.097 -5.025 -4.659 1.00 52.03 C ATOM 2201 C CYS A 158 3.963 -4.162 -5.582 1.00 44.34 C ATOM 2202 O CYS A 158 4.405 -3.085 -5.201 1.00 45.44 O ATOM 2203 CB CYS A 158 3.921 -6.178 -4.080 1.00 5.30 C ATOM 2204 SG CYS A 158 2.982 -7.297 -3.015 1.00 21.34 S ATOM 0 H CYS A 158 1.936 -6.556 -5.462 1.00 14.43 H new ATOM 0 HA CYS A 158 2.737 -4.412 -3.833 1.00 52.03 H new ATOM 0 HB2 CYS A 158 4.351 -6.751 -4.902 1.00 5.30 H new ATOM 0 HB3 CYS A 158 4.753 -5.765 -3.510 1.00 5.30 H new ATOM 0 HG CYS A 158 1.899 -7.674 -3.628 1.00 21.34 H new ATOM 2210 N VAL A 159 4.155 -4.630 -6.816 1.00 33.00 N ATOM 2211 CA VAL A 159 4.946 -3.916 -7.820 1.00 52.12 C ATOM 2212 C VAL A 159 4.272 -2.584 -8.184 1.00 31.21 C ATOM 2213 O VAL A 159 4.927 -1.538 -8.254 1.00 34.53 O ATOM 2214 CB VAL A 159 5.127 -4.766 -9.114 1.00 21.22 C ATOM 2215 CG1 VAL A 159 5.983 -4.037 -10.139 1.00 4.22 C ATOM 2216 CG2 VAL A 159 5.726 -6.128 -8.792 1.00 33.12 C ATOM 0 H VAL A 159 3.767 -5.513 -7.148 1.00 33.00 H new ATOM 0 HA VAL A 159 5.928 -3.727 -7.386 1.00 52.12 H new ATOM 0 HB VAL A 159 4.138 -4.919 -9.547 1.00 21.22 H new ATOM 0 HG11 VAL A 159 6.090 -4.656 -11.030 1.00 4.22 H new ATOM 0 HG12 VAL A 159 5.506 -3.095 -10.407 1.00 4.22 H new ATOM 0 HG13 VAL A 159 6.967 -3.837 -9.715 1.00 4.22 H new ATOM 0 HG21 VAL A 159 5.842 -6.701 -9.712 1.00 33.12 H new ATOM 0 HG22 VAL A 159 6.700 -5.995 -8.322 1.00 33.12 H new ATOM 0 HG23 VAL A 159 5.065 -6.664 -8.111 1.00 33.12 H new ATOM 2226 N GLU A 160 2.963 -2.633 -8.384 1.00 61.02 N ATOM 2227 CA GLU A 160 2.173 -1.450 -8.723 1.00 64.11 C ATOM 2228 C GLU A 160 2.270 -0.401 -7.609 1.00 50.01 C ATOM 2229 O GLU A 160 2.438 0.793 -7.873 1.00 32.41 O ATOM 2230 CB GLU A 160 0.707 -1.835 -8.975 1.00 61.05 C ATOM 2231 CG GLU A 160 0.511 -2.852 -10.101 1.00 20.54 C ATOM 2232 CD GLU A 160 0.983 -2.354 -11.452 1.00 64.32 C ATOM 2233 OE1 GLU A 160 2.192 -2.397 -11.732 1.00 72.33 O ATOM 2234 OE2 GLU A 160 0.135 -1.930 -12.269 1.00 24.52 O ATOM 0 H GLU A 160 2.416 -3.491 -8.317 1.00 61.02 H new ATOM 0 HA GLU A 160 2.577 -1.017 -9.638 1.00 64.11 H new ATOM 0 HB2 GLU A 160 0.287 -2.242 -8.055 1.00 61.05 H new ATOM 0 HB3 GLU A 160 0.142 -0.934 -9.212 1.00 61.05 H new ATOM 0 HG2 GLU A 160 1.048 -3.767 -9.852 1.00 20.54 H new ATOM 0 HG3 GLU A 160 -0.546 -3.111 -10.167 1.00 20.54 H new ATOM 2241 N VAL A 161 2.185 -0.855 -6.364 1.00 51.41 N ATOM 2242 CA VAL A 161 2.314 0.036 -5.219 1.00 32.11 C ATOM 2243 C VAL A 161 3.758 0.543 -5.095 1.00 0.55 C ATOM 2244 O VAL A 161 3.986 1.685 -4.709 1.00 23.32 O ATOM 2245 CB VAL A 161 1.856 -0.637 -3.897 1.00 64.34 C ATOM 2246 CG1 VAL A 161 2.037 0.301 -2.703 1.00 15.00 C ATOM 2247 CG2 VAL A 161 0.400 -1.068 -3.994 1.00 73.11 C ATOM 0 H VAL A 161 2.028 -1.833 -6.123 1.00 51.41 H new ATOM 0 HA VAL A 161 1.653 0.885 -5.393 1.00 32.11 H new ATOM 0 HB VAL A 161 2.482 -1.516 -3.742 1.00 64.34 H new ATOM 0 HG11 VAL A 161 1.707 -0.200 -1.793 1.00 15.00 H new ATOM 0 HG12 VAL A 161 3.089 0.570 -2.608 1.00 15.00 H new ATOM 0 HG13 VAL A 161 1.444 1.203 -2.856 1.00 15.00 H new ATOM 0 HG21 VAL A 161 0.096 -1.538 -3.058 1.00 73.11 H new ATOM 0 HG22 VAL A 161 -0.226 -0.196 -4.182 1.00 73.11 H new ATOM 0 HG23 VAL A 161 0.285 -1.780 -4.811 1.00 73.11 H new ATOM 2257 N SER A 162 4.728 -0.310 -5.444 1.00 53.11 N ATOM 2258 CA SER A 162 6.135 0.082 -5.448 1.00 50.50 C ATOM 2259 C SER A 162 6.346 1.282 -6.367 1.00 14.40 C ATOM 2260 O SER A 162 7.041 2.211 -6.015 1.00 61.32 O ATOM 2261 CB SER A 162 7.017 -1.090 -5.870 1.00 1.24 C ATOM 2262 OG SER A 162 6.868 -2.173 -4.964 1.00 40.51 O ATOM 0 H SER A 162 4.560 -1.276 -5.727 1.00 53.11 H new ATOM 0 HA SER A 162 6.420 0.371 -4.436 1.00 50.50 H new ATOM 0 HB2 SER A 162 6.750 -1.411 -6.877 1.00 1.24 H new ATOM 0 HB3 SER A 162 8.060 -0.775 -5.902 1.00 1.24 H new ATOM 0 HG SER A 162 6.020 -2.632 -5.139 1.00 40.51 H new ATOM 2268 N LYS A 163 5.690 1.263 -7.525 1.00 61.12 N ATOM 2269 CA LYS A 163 5.754 2.371 -8.482 1.00 54.34 C ATOM 2270 C LYS A 163 5.219 3.665 -7.875 1.00 23.12 C ATOM 2271 O LYS A 163 5.678 4.751 -8.211 1.00 54.34 O ATOM 2272 CB LYS A 163 5.001 2.030 -9.764 1.00 41.45 C ATOM 2273 CG LYS A 163 5.610 0.887 -10.553 1.00 71.12 C ATOM 2274 CD LYS A 163 4.778 0.562 -11.778 1.00 65.32 C ATOM 2275 CE LYS A 163 5.420 -0.534 -12.612 1.00 32.43 C ATOM 2276 NZ LYS A 163 6.729 -0.114 -13.176 1.00 2.15 N ATOM 0 H LYS A 163 5.102 0.486 -7.827 1.00 61.12 H new ATOM 0 HA LYS A 163 6.804 2.527 -8.731 1.00 54.34 H new ATOM 0 HB2 LYS A 163 3.972 1.775 -9.512 1.00 41.45 H new ATOM 0 HB3 LYS A 163 4.964 2.916 -10.398 1.00 41.45 H new ATOM 0 HG2 LYS A 163 6.623 1.151 -10.858 1.00 71.12 H new ATOM 0 HG3 LYS A 163 5.688 0.004 -9.918 1.00 71.12 H new ATOM 0 HD2 LYS A 163 3.781 0.249 -11.469 1.00 65.32 H new ATOM 0 HD3 LYS A 163 4.657 1.459 -12.385 1.00 65.32 H new ATOM 0 HE2 LYS A 163 5.560 -1.423 -11.996 1.00 32.43 H new ATOM 0 HE3 LYS A 163 4.748 -0.811 -13.424 1.00 32.43 H new ATOM 0 HZ1 LYS A 163 7.018 -0.783 -13.918 1.00 2.15 H new ATOM 0 HZ2 LYS A 163 6.642 0.839 -13.584 1.00 2.15 H new ATOM 0 HZ3 LYS A 163 7.445 -0.103 -12.422 1.00 2.15 H new ATOM 2290 N GLU A 164 4.244 3.543 -6.991 1.00 41.44 N ATOM 2291 CA GLU A 164 3.712 4.704 -6.319 1.00 53.22 C ATOM 2292 C GLU A 164 4.679 5.172 -5.264 1.00 52.14 C ATOM 2293 O GLU A 164 5.127 6.279 -5.304 1.00 43.11 O ATOM 2294 CB GLU A 164 2.371 4.364 -5.648 1.00 45.42 C ATOM 2295 CG GLU A 164 1.749 5.498 -4.802 1.00 5.40 C ATOM 2296 CD GLU A 164 1.512 6.791 -5.562 1.00 25.13 C ATOM 2297 OE1 GLU A 164 0.505 6.889 -6.286 1.00 53.33 O ATOM 2298 OE2 GLU A 164 2.318 7.738 -5.412 1.00 1.14 O ATOM 0 H GLU A 164 3.811 2.658 -6.727 1.00 41.44 H new ATOM 0 HA GLU A 164 3.559 5.491 -7.058 1.00 53.22 H new ATOM 0 HB2 GLU A 164 1.659 4.078 -6.422 1.00 45.42 H new ATOM 0 HB3 GLU A 164 2.514 3.493 -5.009 1.00 45.42 H new ATOM 0 HG2 GLU A 164 0.799 5.151 -4.394 1.00 5.40 H new ATOM 0 HG3 GLU A 164 2.404 5.704 -3.955 1.00 5.40 H new ATOM 2305 N ILE A 165 5.071 4.278 -4.387 1.00 62.35 N ATOM 2306 CA ILE A 165 5.862 4.652 -3.232 1.00 23.42 C ATOM 2307 C ILE A 165 7.286 5.087 -3.589 1.00 53.13 C ATOM 2308 O ILE A 165 7.762 6.121 -3.115 1.00 74.12 O ATOM 2309 CB ILE A 165 5.843 3.541 -2.128 1.00 13.33 C ATOM 2310 CG1 ILE A 165 6.594 3.975 -0.875 1.00 12.30 C ATOM 2311 CG2 ILE A 165 6.383 2.217 -2.642 1.00 62.11 C ATOM 2312 CD1 ILE A 165 6.052 5.236 -0.262 1.00 51.01 C ATOM 0 H ILE A 165 4.856 3.283 -4.449 1.00 62.35 H new ATOM 0 HA ILE A 165 5.381 5.535 -2.811 1.00 23.42 H new ATOM 0 HB ILE A 165 4.797 3.392 -1.859 1.00 13.33 H new ATOM 0 HG12 ILE A 165 6.550 3.173 -0.138 1.00 12.30 H new ATOM 0 HG13 ILE A 165 7.645 4.123 -1.123 1.00 12.30 H new ATOM 0 HG21 ILE A 165 6.351 1.476 -1.843 1.00 62.11 H new ATOM 0 HG22 ILE A 165 5.773 1.875 -3.478 1.00 62.11 H new ATOM 0 HG23 ILE A 165 7.413 2.348 -2.974 1.00 62.11 H new ATOM 0 HD11 ILE A 165 6.632 5.488 0.626 1.00 51.01 H new ATOM 0 HD12 ILE A 165 6.121 6.050 -0.984 1.00 51.01 H new ATOM 0 HD13 ILE A 165 5.009 5.086 0.017 1.00 51.01 H new ATOM 2324 N ASP A 166 7.919 4.336 -4.441 1.00 13.13 N ATOM 2325 CA ASP A 166 9.308 4.613 -4.865 1.00 31.23 C ATOM 2326 C ASP A 166 9.397 5.992 -5.517 1.00 12.50 C ATOM 2327 O ASP A 166 10.160 6.860 -5.084 1.00 63.44 O ATOM 2328 CB ASP A 166 9.771 3.520 -5.846 1.00 20.43 C ATOM 2329 CG ASP A 166 11.166 3.718 -6.389 1.00 4.01 C ATOM 2330 OD1 ASP A 166 12.138 3.274 -5.731 1.00 10.42 O ATOM 2331 OD2 ASP A 166 11.300 4.280 -7.483 1.00 0.52 O ATOM 0 H ASP A 166 7.510 3.509 -4.876 1.00 13.13 H new ATOM 0 HA ASP A 166 9.960 4.607 -3.992 1.00 31.23 H new ATOM 0 HB2 ASP A 166 9.724 2.554 -5.343 1.00 20.43 H new ATOM 0 HB3 ASP A 166 9.072 3.479 -6.681 1.00 20.43 H new ATOM 2336 N GLU A 167 8.545 6.208 -6.482 1.00 22.32 N ATOM 2337 CA GLU A 167 8.485 7.453 -7.218 1.00 34.55 C ATOM 2338 C GLU A 167 7.884 8.582 -6.414 1.00 21.13 C ATOM 2339 O GLU A 167 8.165 9.726 -6.673 1.00 1.11 O ATOM 2340 CB GLU A 167 7.839 7.270 -8.581 1.00 44.12 C ATOM 2341 CG GLU A 167 8.650 6.354 -9.484 1.00 32.32 C ATOM 2342 CD GLU A 167 8.018 6.115 -10.825 1.00 41.41 C ATOM 2343 OE1 GLU A 167 8.177 6.957 -11.733 1.00 0.31 O ATOM 2344 OE2 GLU A 167 7.379 5.061 -11.012 1.00 14.14 O ATOM 0 H GLU A 167 7.860 5.517 -6.788 1.00 22.32 H new ATOM 0 HA GLU A 167 9.514 7.760 -7.407 1.00 34.55 H new ATOM 0 HB2 GLU A 167 6.838 6.858 -8.454 1.00 44.12 H new ATOM 0 HB3 GLU A 167 7.725 8.242 -9.061 1.00 44.12 H new ATOM 0 HG2 GLU A 167 9.640 6.786 -9.631 1.00 32.32 H new ATOM 0 HG3 GLU A 167 8.791 5.396 -8.983 1.00 32.32 H new ATOM 2351 N HIS A 168 7.025 8.270 -5.484 1.00 13.03 N ATOM 2352 CA HIS A 168 6.430 9.294 -4.616 1.00 73.40 C ATOM 2353 C HIS A 168 7.522 9.878 -3.725 1.00 51.53 C ATOM 2354 O HIS A 168 7.553 11.079 -3.467 1.00 71.14 O ATOM 2355 CB HIS A 168 5.341 8.663 -3.742 1.00 44.21 C ATOM 2356 CG HIS A 168 4.312 9.599 -3.222 1.00 12.33 C ATOM 2357 ND1 HIS A 168 3.046 9.633 -3.736 1.00 65.21 N ATOM 2358 CD2 HIS A 168 4.335 10.503 -2.222 1.00 70.51 C ATOM 2359 CE1 HIS A 168 2.330 10.511 -3.097 1.00 52.44 C ATOM 2360 NE2 HIS A 168 3.080 11.059 -2.162 1.00 52.35 N ATOM 0 H HIS A 168 6.710 7.319 -5.294 1.00 13.03 H new ATOM 0 HA HIS A 168 5.986 10.081 -5.226 1.00 73.40 H new ATOM 0 HB2 HIS A 168 4.841 7.887 -4.321 1.00 44.21 H new ATOM 0 HB3 HIS A 168 5.820 8.171 -2.895 1.00 44.21 H new ATOM 0 HD1 HIS A 168 2.712 9.055 -4.507 1.00 65.21 H new ATOM 0 HD2 HIS A 168 5.177 10.744 -1.590 1.00 70.51 H new ATOM 0 HE1 HIS A 168 1.296 10.750 -3.298 1.00 52.44 H new ATOM 2369 N LEU A 169 8.408 9.016 -3.252 1.00 10.42 N ATOM 2370 CA LEU A 169 9.499 9.444 -2.405 1.00 34.33 C ATOM 2371 C LEU A 169 10.615 10.104 -3.213 1.00 0.35 C ATOM 2372 O LEU A 169 11.191 11.093 -2.784 1.00 23.11 O ATOM 2373 CB LEU A 169 10.042 8.284 -1.571 1.00 73.35 C ATOM 2374 CG LEU A 169 9.046 7.609 -0.621 1.00 50.00 C ATOM 2375 CD1 LEU A 169 9.722 6.498 0.162 1.00 4.03 C ATOM 2376 CD2 LEU A 169 8.411 8.623 0.319 1.00 62.14 C ATOM 0 H LEU A 169 8.389 8.014 -3.443 1.00 10.42 H new ATOM 0 HA LEU A 169 9.101 10.193 -1.721 1.00 34.33 H new ATOM 0 HB2 LEU A 169 10.434 7.527 -2.251 1.00 73.35 H new ATOM 0 HB3 LEU A 169 10.883 8.650 -0.982 1.00 73.35 H new ATOM 0 HG LEU A 169 8.251 7.169 -1.224 1.00 50.00 H new ATOM 0 HD11 LEU A 169 8.998 6.032 0.830 1.00 4.03 H new ATOM 0 HD12 LEU A 169 10.112 5.751 -0.529 1.00 4.03 H new ATOM 0 HD13 LEU A 169 10.542 6.913 0.748 1.00 4.03 H new ATOM 0 HD21 LEU A 169 7.709 8.116 0.981 1.00 62.14 H new ATOM 0 HD22 LEU A 169 9.188 9.104 0.913 1.00 62.14 H new ATOM 0 HD23 LEU A 169 7.881 9.377 -0.263 1.00 62.14 H new ATOM 2388 N LEU A 170 10.925 9.557 -4.371 1.00 41.11 N ATOM 2389 CA LEU A 170 11.975 10.132 -5.220 1.00 12.32 C ATOM 2390 C LEU A 170 11.475 11.378 -5.908 1.00 4.44 C ATOM 2391 O LEU A 170 12.195 12.380 -6.025 1.00 12.54 O ATOM 2392 CB LEU A 170 12.393 9.137 -6.283 1.00 12.02 C ATOM 2393 CG LEU A 170 12.957 7.827 -5.793 1.00 21.42 C ATOM 2394 CD1 LEU A 170 13.181 6.915 -6.967 1.00 51.33 C ATOM 2395 CD2 LEU A 170 14.263 8.059 -5.044 1.00 50.13 C ATOM 0 H LEU A 170 10.476 8.724 -4.752 1.00 41.11 H new ATOM 0 HA LEU A 170 12.824 10.377 -4.582 1.00 12.32 H new ATOM 0 HB2 LEU A 170 11.527 8.923 -6.909 1.00 12.02 H new ATOM 0 HB3 LEU A 170 13.138 9.612 -6.921 1.00 12.02 H new ATOM 0 HG LEU A 170 12.249 7.363 -5.106 1.00 21.42 H new ATOM 0 HD11 LEU A 170 13.589 5.966 -6.618 1.00 51.33 H new ATOM 0 HD12 LEU A 170 12.234 6.738 -7.476 1.00 51.33 H new ATOM 0 HD13 LEU A 170 13.883 7.379 -7.659 1.00 51.33 H new ATOM 0 HD21 LEU A 170 14.658 7.104 -4.697 1.00 50.13 H new ATOM 0 HD22 LEU A 170 14.986 8.530 -5.710 1.00 50.13 H new ATOM 0 HD23 LEU A 170 14.081 8.709 -4.188 1.00 50.13 H new