USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 912 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 85 MET CE :methyl -137:sc= -8.34! (180deg=-6.49!) USER MOD Set 1.2: A 91 CYS SG : rot 4:sc= -2.11 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -127:sc= 0.707 (180deg=-1.24) USER MOD Set 2.2: A 84 SER OG : rot -51:sc= 0.224 USER MOD Set 3.1: A 41 THR OG1 : rot -59:sc= 0.0955 USER MOD Set 3.2: A 68 HIS : no HE2:sc= 0.916 K(o=1,f=-4.6!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.03) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.6) USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= -0.028 (180deg=-0.184) USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 1.14 (180deg=1.05) USER MOD Single : A 38 ASN : amide:sc= -2.45! C(o=-2.4!,f=-4.3!) USER MOD Single : A 43 HIS :FLIP no HE2:sc= -0.644 F(o=-2!,f=-0.64) USER MOD Single : A 44 TYR OH : rot 41:sc= 0.288 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 89:sc= 0.498 USER MOD Single : A 62 ASN : amide:sc=-0.00182 X(o=-0.0018,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00965) USER MOD Single : A 71 GLN : amide:sc= -4.19 K(o=-4.2,f=-4.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot -22:sc= -1.8 USER MOD Single : A 83 SER OG : rot -82:sc= 1.06 USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -0.0757 (180deg=-0.47) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= 1.31 (180deg=1.18) USER MOD Single : A 97 SER OG : rot -74:sc= 1.27 USER MOD Single : A 98 MET CE :methyl -155:sc= -0.345 (180deg=-1.24) USER MOD Single : A 99 TYR OH : rot -46:sc= 0.42 USER MOD Single : A 101 TYR OH : rot -132:sc= 1.12 USER MOD Single : A 109 SER OG : rot 36:sc= 0.107 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 147:sc= 1.58 USER MOD Single : A 124 SER OG : rot 180:sc= -0.0706 USER MOD ----------------------------------------------------------------- ATOM 95 N PHE A 7 16.062 -0.932 0.680 1.00 0.87 N ATOM 96 CA PHE A 7 16.515 -1.322 2.006 1.00 0.77 C ATOM 97 C PHE A 7 17.788 -0.581 2.384 1.00 0.72 C ATOM 98 O PHE A 7 18.548 -0.141 1.519 1.00 0.87 O ATOM 99 CB PHE A 7 16.750 -2.834 2.080 1.00 0.77 C ATOM 100 CG PHE A 7 15.486 -3.647 2.023 1.00 1.61 C ATOM 101 CD1 PHE A 7 14.501 -3.492 2.984 1.00 1.82 C ATOM 102 CD2 PHE A 7 15.285 -4.568 1.007 1.00 2.72 C ATOM 103 CE1 PHE A 7 13.338 -4.240 2.933 1.00 2.63 C ATOM 104 CE2 PHE A 7 14.125 -5.317 0.951 1.00 3.60 C ATOM 105 CZ PHE A 7 13.148 -5.148 1.921 1.00 3.44 C ATOM 0 HA PHE A 7 15.732 -1.055 2.715 1.00 0.77 H new ATOM 0 HB2 PHE A 7 17.400 -3.132 1.258 1.00 0.77 H new ATOM 0 HB3 PHE A 7 17.279 -3.066 3.005 1.00 0.77 H new ATOM 0 HD1 PHE A 7 14.642 -2.779 3.783 1.00 1.82 H new ATOM 0 HD2 PHE A 7 16.044 -4.702 0.250 1.00 2.72 H new ATOM 0 HE1 PHE A 7 12.579 -4.109 3.690 1.00 2.63 H new ATOM 0 HE2 PHE A 7 13.980 -6.032 0.154 1.00 3.60 H new ATOM 0 HZ PHE A 7 12.239 -5.730 1.880 1.00 3.44 H new ATOM 115 N GLU A 8 18.012 -0.461 3.684 1.00 0.72 N ATOM 116 CA GLU A 8 19.161 0.257 4.209 1.00 0.76 C ATOM 117 C GLU A 8 20.399 -0.633 4.154 1.00 0.62 C ATOM 118 O GLU A 8 20.336 -1.831 4.433 1.00 0.61 O ATOM 119 CB GLU A 8 18.863 0.722 5.641 1.00 1.01 C ATOM 120 CG GLU A 8 19.842 1.751 6.182 1.00 1.20 C ATOM 121 CD GLU A 8 19.346 2.399 7.462 1.00 1.97 C ATOM 122 OE1 GLU A 8 18.501 3.320 7.377 1.00 2.22 O ATOM 123 OE2 GLU A 8 19.787 1.992 8.558 1.00 2.71 O ATOM 0 H GLU A 8 17.404 -0.857 4.401 1.00 0.72 H new ATOM 0 HA GLU A 8 19.358 1.139 3.599 1.00 0.76 H new ATOM 0 HB2 GLU A 8 17.858 1.143 5.672 1.00 1.01 H new ATOM 0 HB3 GLU A 8 18.866 -0.146 6.300 1.00 1.01 H new ATOM 0 HG2 GLU A 8 20.803 1.272 6.368 1.00 1.20 H new ATOM 0 HG3 GLU A 8 20.010 2.521 5.429 1.00 1.20 H new ATOM 130 N LYS A 9 21.518 -0.039 3.774 1.00 0.60 N ATOM 131 CA LYS A 9 22.746 -0.783 3.524 1.00 0.53 C ATOM 132 C LYS A 9 23.808 -0.420 4.554 1.00 0.50 C ATOM 133 O LYS A 9 23.808 0.691 5.080 1.00 0.56 O ATOM 134 CB LYS A 9 23.247 -0.467 2.114 1.00 0.63 C ATOM 135 CG LYS A 9 22.219 -0.756 1.030 1.00 0.72 C ATOM 136 CD LYS A 9 22.482 0.062 -0.221 1.00 0.95 C ATOM 137 CE LYS A 9 21.433 -0.200 -1.291 1.00 1.49 C ATOM 138 NZ LYS A 9 21.655 0.643 -2.499 1.00 1.88 N ATOM 0 H LYS A 9 21.603 0.967 3.630 1.00 0.60 H new ATOM 0 HA LYS A 9 22.542 -1.851 3.607 1.00 0.53 H new ATOM 0 HB2 LYS A 9 23.531 0.584 2.064 1.00 0.63 H new ATOM 0 HB3 LYS A 9 24.146 -1.050 1.917 1.00 0.63 H new ATOM 0 HG2 LYS A 9 22.239 -1.817 0.782 1.00 0.72 H new ATOM 0 HG3 LYS A 9 21.220 -0.535 1.407 1.00 0.72 H new ATOM 0 HD2 LYS A 9 22.488 1.122 0.031 1.00 0.95 H new ATOM 0 HD3 LYS A 9 23.470 -0.178 -0.613 1.00 0.95 H new ATOM 0 HE2 LYS A 9 21.456 -1.253 -1.573 1.00 1.49 H new ATOM 0 HE3 LYS A 9 20.441 -0.000 -0.885 1.00 1.49 H new ATOM 0 HZ1 LYS A 9 20.921 0.437 -3.206 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 21.608 1.648 -2.235 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 22.591 0.434 -2.901 1.00 1.88 H new ATOM 152 N VAL A 10 24.707 -1.355 4.843 1.00 0.46 N ATOM 153 CA VAL A 10 25.748 -1.125 5.837 1.00 0.46 C ATOM 154 C VAL A 10 27.134 -1.104 5.196 1.00 0.48 C ATOM 155 O VAL A 10 27.558 -2.083 4.575 1.00 0.54 O ATOM 156 CB VAL A 10 25.727 -2.206 6.935 1.00 0.51 C ATOM 157 CG1 VAL A 10 26.682 -1.840 8.057 1.00 0.54 C ATOM 158 CG2 VAL A 10 24.321 -2.404 7.476 1.00 0.59 C ATOM 0 H VAL A 10 24.736 -2.276 4.405 1.00 0.46 H new ATOM 0 HA VAL A 10 25.541 -0.153 6.284 1.00 0.46 H new ATOM 0 HB VAL A 10 26.054 -3.147 6.492 1.00 0.51 H new ATOM 0 HG11 VAL A 10 26.655 -2.614 8.824 1.00 0.54 H new ATOM 0 HG12 VAL A 10 27.694 -1.757 7.661 1.00 0.54 H new ATOM 0 HG13 VAL A 10 26.383 -0.886 8.493 1.00 0.54 H new ATOM 0 HG21 VAL A 10 24.334 -3.172 8.249 1.00 0.59 H new ATOM 0 HG22 VAL A 10 23.959 -1.467 7.900 1.00 0.59 H new ATOM 0 HG23 VAL A 10 23.660 -2.715 6.667 1.00 0.59 H new ATOM 168 N GLU A 11 27.835 0.014 5.344 1.00 0.53 N ATOM 169 CA GLU A 11 29.196 0.141 4.838 1.00 0.63 C ATOM 170 C GLU A 11 30.217 0.018 5.967 1.00 0.55 C ATOM 171 O GLU A 11 30.287 0.886 6.835 1.00 0.59 O ATOM 172 CB GLU A 11 29.391 1.477 4.123 1.00 0.88 C ATOM 173 CG GLU A 11 28.596 1.618 2.838 1.00 1.37 C ATOM 174 CD GLU A 11 28.919 2.905 2.110 1.00 1.72 C ATOM 175 OE1 GLU A 11 29.926 2.938 1.372 1.00 2.02 O ATOM 176 OE2 GLU A 11 28.177 3.894 2.287 1.00 2.16 O ATOM 0 H GLU A 11 27.481 0.848 5.812 1.00 0.53 H new ATOM 0 HA GLU A 11 29.354 -0.671 4.128 1.00 0.63 H new ATOM 0 HB2 GLU A 11 29.110 2.283 4.801 1.00 0.88 H new ATOM 0 HB3 GLU A 11 30.450 1.604 3.898 1.00 0.88 H new ATOM 0 HG2 GLU A 11 28.807 0.770 2.186 1.00 1.37 H new ATOM 0 HG3 GLU A 11 27.530 1.588 3.066 1.00 1.37 H new ATOM 183 N LEU A 12 30.993 -1.066 5.939 1.00 0.52 N ATOM 184 CA LEU A 12 32.076 -1.295 6.898 1.00 0.51 C ATOM 185 C LEU A 12 31.615 -1.102 8.337 1.00 0.52 C ATOM 186 O LEU A 12 31.923 -0.096 8.977 1.00 0.61 O ATOM 187 CB LEU A 12 33.281 -0.395 6.601 1.00 0.57 C ATOM 188 CG LEU A 12 34.038 -0.728 5.313 1.00 0.88 C ATOM 189 CD1 LEU A 12 35.172 0.258 5.090 1.00 1.35 C ATOM 190 CD2 LEU A 12 34.575 -2.153 5.364 1.00 1.45 C ATOM 0 H LEU A 12 30.889 -1.811 5.250 1.00 0.52 H new ATOM 0 HA LEU A 12 32.382 -2.335 6.783 1.00 0.51 H new ATOM 0 HB2 LEU A 12 32.938 0.638 6.546 1.00 0.57 H new ATOM 0 HB3 LEU A 12 33.976 -0.456 7.439 1.00 0.57 H new ATOM 0 HG LEU A 12 33.344 -0.649 4.476 1.00 0.88 H new ATOM 0 HD11 LEU A 12 35.698 0.005 4.170 1.00 1.35 H new ATOM 0 HD12 LEU A 12 34.767 1.267 5.011 1.00 1.35 H new ATOM 0 HD13 LEU A 12 35.866 0.211 5.929 1.00 1.35 H new ATOM 0 HD21 LEU A 12 35.110 -2.373 4.441 1.00 1.45 H new ATOM 0 HD22 LEU A 12 35.254 -2.256 6.211 1.00 1.45 H new ATOM 0 HD23 LEU A 12 33.745 -2.851 5.478 1.00 1.45 H new ATOM 202 N THR A 13 30.863 -2.067 8.831 1.00 0.50 N ATOM 203 CA THR A 13 30.362 -2.022 10.192 1.00 0.56 C ATOM 204 C THR A 13 31.387 -2.605 11.166 1.00 0.53 C ATOM 205 O THR A 13 32.304 -3.320 10.763 1.00 0.50 O ATOM 206 CB THR A 13 29.024 -2.793 10.303 1.00 0.68 C ATOM 207 OG1 THR A 13 28.603 -2.888 11.667 1.00 0.78 O ATOM 208 CG2 THR A 13 29.153 -4.188 9.713 1.00 0.69 C ATOM 0 H THR A 13 30.584 -2.896 8.307 1.00 0.50 H new ATOM 0 HA THR A 13 30.189 -0.979 10.455 1.00 0.56 H new ATOM 0 HB THR A 13 28.275 -2.237 9.739 1.00 0.68 H new ATOM 0 HG1 THR A 13 27.755 -3.377 11.714 1.00 0.78 H new ATOM 0 HG21 THR A 13 28.201 -4.710 9.802 1.00 0.69 H new ATOM 0 HG22 THR A 13 29.429 -4.114 8.661 1.00 0.69 H new ATOM 0 HG23 THR A 13 29.922 -4.741 10.252 1.00 0.69 H new ATOM 216 N ALA A 14 31.213 -2.312 12.449 1.00 0.61 N ATOM 217 CA ALA A 14 32.095 -2.824 13.494 1.00 0.66 C ATOM 218 C ALA A 14 31.947 -4.338 13.631 1.00 0.69 C ATOM 219 O ALA A 14 32.677 -4.986 14.373 1.00 0.79 O ATOM 220 CB ALA A 14 31.790 -2.134 14.816 1.00 0.81 C ATOM 0 H ALA A 14 30.461 -1.716 12.795 1.00 0.61 H new ATOM 0 HA ALA A 14 33.127 -2.610 13.216 1.00 0.66 H new ATOM 0 HB1 ALA A 14 32.452 -2.522 15.590 1.00 0.81 H new ATOM 0 HB2 ALA A 14 31.945 -1.060 14.710 1.00 0.81 H new ATOM 0 HB3 ALA A 14 30.754 -2.325 15.096 1.00 0.81 H new ATOM 226 N ASP A 15 30.997 -4.891 12.889 1.00 0.71 N ATOM 227 CA ASP A 15 30.735 -6.324 12.876 1.00 0.85 C ATOM 228 C ASP A 15 31.821 -7.079 12.085 1.00 0.74 C ATOM 229 O ASP A 15 31.739 -8.287 11.886 1.00 0.86 O ATOM 230 CB ASP A 15 29.344 -6.555 12.280 1.00 1.08 C ATOM 231 CG ASP A 15 28.903 -8.001 12.306 1.00 1.69 C ATOM 232 OD1 ASP A 15 28.745 -8.559 13.412 1.00 1.87 O ATOM 233 OD2 ASP A 15 28.684 -8.573 11.216 1.00 2.40 O ATOM 0 H ASP A 15 30.383 -4.355 12.276 1.00 0.71 H new ATOM 0 HA ASP A 15 30.762 -6.714 13.893 1.00 0.85 H new ATOM 0 HB2 ASP A 15 28.619 -5.954 12.829 1.00 1.08 H new ATOM 0 HB3 ASP A 15 29.337 -6.201 11.249 1.00 1.08 H new ATOM 238 N GLY A 16 32.865 -6.361 11.677 1.00 0.64 N ATOM 239 CA GLY A 16 33.983 -6.997 10.998 1.00 0.68 C ATOM 240 C GLY A 16 34.281 -6.415 9.631 1.00 0.57 C ATOM 241 O GLY A 16 34.988 -7.033 8.835 1.00 0.63 O ATOM 0 H GLY A 16 32.957 -5.353 11.804 1.00 0.64 H new ATOM 0 HA2 GLY A 16 34.872 -6.908 11.622 1.00 0.68 H new ATOM 0 HA3 GLY A 16 33.773 -8.061 10.891 1.00 0.68 H new ATOM 245 N GLY A 17 33.751 -5.224 9.361 1.00 0.54 N ATOM 246 CA GLY A 17 34.086 -4.508 8.143 1.00 0.52 C ATOM 247 C GLY A 17 33.724 -5.256 6.873 1.00 0.46 C ATOM 248 O GLY A 17 34.603 -5.598 6.083 1.00 0.61 O ATOM 0 H GLY A 17 33.091 -4.740 9.970 1.00 0.54 H new ATOM 0 HA2 GLY A 17 33.573 -3.546 8.146 1.00 0.52 H new ATOM 0 HA3 GLY A 17 35.156 -4.299 8.138 1.00 0.52 H new ATOM 252 N VAL A 18 32.438 -5.515 6.678 1.00 0.36 N ATOM 253 CA VAL A 18 31.954 -6.129 5.445 1.00 0.34 C ATOM 254 C VAL A 18 30.686 -5.422 4.971 1.00 0.32 C ATOM 255 O VAL A 18 29.887 -4.954 5.785 1.00 0.36 O ATOM 256 CB VAL A 18 31.684 -7.647 5.625 1.00 0.40 C ATOM 257 CG1 VAL A 18 30.915 -8.226 4.446 1.00 0.47 C ATOM 258 CG2 VAL A 18 32.990 -8.404 5.801 1.00 0.49 C ATOM 0 H VAL A 18 31.707 -5.309 7.359 1.00 0.36 H new ATOM 0 HA VAL A 18 32.734 -6.020 4.691 1.00 0.34 H new ATOM 0 HB VAL A 18 31.074 -7.762 6.521 1.00 0.40 H new ATOM 0 HG11 VAL A 18 30.746 -9.290 4.609 1.00 0.47 H new ATOM 0 HG12 VAL A 18 29.956 -7.716 4.351 1.00 0.47 H new ATOM 0 HG13 VAL A 18 31.492 -8.087 3.532 1.00 0.47 H new ATOM 0 HG21 VAL A 18 32.781 -9.466 5.926 1.00 0.49 H new ATOM 0 HG22 VAL A 18 33.616 -8.258 4.921 1.00 0.49 H new ATOM 0 HG23 VAL A 18 33.511 -8.031 6.683 1.00 0.49 H new ATOM 268 N ILE A 19 30.522 -5.324 3.657 1.00 0.31 N ATOM 269 CA ILE A 19 29.360 -4.673 3.070 1.00 0.31 C ATOM 270 C ILE A 19 28.205 -5.660 2.946 1.00 0.30 C ATOM 271 O ILE A 19 28.247 -6.583 2.128 1.00 0.30 O ATOM 272 CB ILE A 19 29.680 -4.107 1.670 1.00 0.34 C ATOM 273 CG1 ILE A 19 30.953 -3.254 1.704 1.00 0.41 C ATOM 274 CG2 ILE A 19 28.508 -3.286 1.148 1.00 0.36 C ATOM 275 CD1 ILE A 19 30.852 -2.032 2.587 1.00 0.47 C ATOM 0 H ILE A 19 31.185 -5.691 2.974 1.00 0.31 H new ATOM 0 HA ILE A 19 29.080 -3.852 3.730 1.00 0.31 H new ATOM 0 HB ILE A 19 29.848 -4.946 0.995 1.00 0.34 H new ATOM 0 HG12 ILE A 19 31.782 -3.871 2.049 1.00 0.41 H new ATOM 0 HG13 ILE A 19 31.193 -2.937 0.689 1.00 0.41 H new ATOM 0 HG21 ILE A 19 28.750 -2.894 0.160 1.00 0.36 H new ATOM 0 HG22 ILE A 19 27.622 -3.918 1.081 1.00 0.36 H new ATOM 0 HG23 ILE A 19 28.312 -2.458 1.829 1.00 0.36 H new ATOM 0 HD11 ILE A 19 31.793 -1.482 2.557 1.00 0.47 H new ATOM 0 HD12 ILE A 19 30.046 -1.391 2.230 1.00 0.47 H new ATOM 0 HD13 ILE A 19 30.645 -2.340 3.612 1.00 0.47 H new ATOM 287 N LYS A 20 27.176 -5.461 3.756 1.00 0.33 N ATOM 288 CA LYS A 20 26.016 -6.344 3.747 1.00 0.37 C ATOM 289 C LYS A 20 24.721 -5.541 3.857 1.00 0.33 C ATOM 290 O LYS A 20 24.688 -4.480 4.478 1.00 0.37 O ATOM 291 CB LYS A 20 26.118 -7.378 4.880 1.00 0.53 C ATOM 292 CG LYS A 20 26.221 -6.774 6.277 1.00 0.59 C ATOM 293 CD LYS A 20 26.392 -7.853 7.337 1.00 0.76 C ATOM 294 CE LYS A 20 26.387 -7.263 8.738 1.00 0.83 C ATOM 295 NZ LYS A 20 26.541 -8.309 9.783 1.00 1.34 N ATOM 0 H LYS A 20 27.119 -4.696 4.428 1.00 0.33 H new ATOM 0 HA LYS A 20 25.999 -6.878 2.797 1.00 0.37 H new ATOM 0 HB2 LYS A 20 25.244 -8.028 4.842 1.00 0.53 H new ATOM 0 HB3 LYS A 20 26.991 -8.007 4.704 1.00 0.53 H new ATOM 0 HG2 LYS A 20 27.066 -6.086 6.316 1.00 0.59 H new ATOM 0 HG3 LYS A 20 25.325 -6.191 6.490 1.00 0.59 H new ATOM 0 HD2 LYS A 20 25.589 -8.584 7.246 1.00 0.76 H new ATOM 0 HD3 LYS A 20 27.328 -8.385 7.168 1.00 0.76 H new ATOM 0 HE2 LYS A 20 27.196 -6.538 8.829 1.00 0.83 H new ATOM 0 HE3 LYS A 20 25.454 -6.723 8.901 1.00 0.83 H new ATOM 0 HZ1 LYS A 20 25.772 -8.221 10.478 1.00 1.34 H new ATOM 0 HZ2 LYS A 20 26.503 -9.250 9.341 1.00 1.34 H new ATOM 0 HZ3 LYS A 20 27.456 -8.189 10.262 1.00 1.34 H new ATOM 309 N THR A 21 23.672 -6.037 3.214 1.00 0.34 N ATOM 310 CA THR A 21 22.378 -5.374 3.213 1.00 0.36 C ATOM 311 C THR A 21 21.310 -6.281 3.828 1.00 0.36 C ATOM 312 O THR A 21 21.280 -7.484 3.554 1.00 0.40 O ATOM 313 CB THR A 21 21.971 -4.999 1.776 1.00 0.44 C ATOM 314 OG1 THR A 21 23.041 -4.280 1.151 1.00 0.49 O ATOM 315 CG2 THR A 21 20.707 -4.149 1.762 1.00 0.50 C ATOM 0 H THR A 21 23.695 -6.906 2.681 1.00 0.34 H new ATOM 0 HA THR A 21 22.459 -4.466 3.811 1.00 0.36 H new ATOM 0 HB THR A 21 21.767 -5.918 1.227 1.00 0.44 H new ATOM 0 HG1 THR A 21 22.784 -4.042 0.236 1.00 0.49 H new ATOM 0 HG21 THR A 21 20.447 -3.901 0.733 1.00 0.50 H new ATOM 0 HG22 THR A 21 19.889 -4.706 2.219 1.00 0.50 H new ATOM 0 HG23 THR A 21 20.880 -3.231 2.324 1.00 0.50 H new ATOM 323 N ILE A 22 20.447 -5.705 4.659 1.00 0.40 N ATOM 324 CA ILE A 22 19.394 -6.462 5.326 1.00 0.43 C ATOM 325 C ILE A 22 18.207 -6.690 4.385 1.00 0.44 C ATOM 326 O ILE A 22 17.689 -5.753 3.778 1.00 0.55 O ATOM 327 CB ILE A 22 18.921 -5.743 6.622 1.00 0.56 C ATOM 328 CG1 ILE A 22 17.793 -6.524 7.304 1.00 0.63 C ATOM 329 CG2 ILE A 22 18.476 -4.317 6.326 1.00 0.67 C ATOM 330 CD1 ILE A 22 18.224 -7.873 7.838 1.00 0.66 C ATOM 0 H ILE A 22 20.457 -4.711 4.887 1.00 0.40 H new ATOM 0 HA ILE A 22 19.809 -7.431 5.604 1.00 0.43 H new ATOM 0 HB ILE A 22 19.770 -5.701 7.304 1.00 0.56 H new ATOM 0 HG12 ILE A 22 17.395 -5.928 8.125 1.00 0.63 H new ATOM 0 HG13 ILE A 22 16.980 -6.668 6.592 1.00 0.63 H new ATOM 0 HG21 ILE A 22 18.151 -3.838 7.250 1.00 0.67 H new ATOM 0 HG22 ILE A 22 19.309 -3.757 5.901 1.00 0.67 H new ATOM 0 HG23 ILE A 22 17.650 -4.334 5.615 1.00 0.67 H new ATOM 0 HD11 ILE A 22 17.373 -8.367 8.307 1.00 0.66 H new ATOM 0 HD12 ILE A 22 18.594 -8.488 7.018 1.00 0.66 H new ATOM 0 HD13 ILE A 22 19.016 -7.737 8.575 1.00 0.66 H new ATOM 342 N LEU A 23 17.809 -7.950 4.245 1.00 0.41 N ATOM 343 CA LEU A 23 16.666 -8.315 3.408 1.00 0.47 C ATOM 344 C LEU A 23 15.571 -8.963 4.254 1.00 0.50 C ATOM 345 O LEU A 23 14.495 -8.400 4.431 1.00 0.67 O ATOM 346 CB LEU A 23 17.095 -9.272 2.282 1.00 0.54 C ATOM 347 CG LEU A 23 17.624 -8.613 1.000 1.00 0.53 C ATOM 348 CD1 LEU A 23 16.552 -7.744 0.371 1.00 0.83 C ATOM 349 CD2 LEU A 23 18.878 -7.797 1.269 1.00 0.64 C ATOM 0 H LEU A 23 18.262 -8.741 4.702 1.00 0.41 H new ATOM 0 HA LEU A 23 16.273 -7.404 2.957 1.00 0.47 H new ATOM 0 HB2 LEU A 23 17.868 -9.935 2.671 1.00 0.54 H new ATOM 0 HB3 LEU A 23 16.242 -9.897 2.019 1.00 0.54 H new ATOM 0 HG LEU A 23 17.888 -9.408 0.303 1.00 0.53 H new ATOM 0 HD11 LEU A 23 16.943 -7.284 -0.537 1.00 0.83 H new ATOM 0 HD12 LEU A 23 15.686 -8.357 0.123 1.00 0.83 H new ATOM 0 HD13 LEU A 23 16.256 -6.965 1.074 1.00 0.83 H new ATOM 0 HD21 LEU A 23 19.224 -7.345 0.340 1.00 0.64 H new ATOM 0 HD22 LEU A 23 18.654 -7.013 1.992 1.00 0.64 H new ATOM 0 HD23 LEU A 23 19.656 -8.447 1.669 1.00 0.64 H new ATOM 361 N LYS A 24 15.858 -10.145 4.784 1.00 0.49 N ATOM 362 CA LYS A 24 14.901 -10.858 5.616 1.00 0.60 C ATOM 363 C LYS A 24 15.460 -11.005 7.024 1.00 0.60 C ATOM 364 O LYS A 24 16.377 -11.792 7.253 1.00 0.76 O ATOM 365 CB LYS A 24 14.588 -12.235 5.014 1.00 0.78 C ATOM 366 CG LYS A 24 13.587 -13.054 5.823 1.00 1.05 C ATOM 367 CD LYS A 24 13.215 -14.357 5.121 1.00 1.11 C ATOM 368 CE LYS A 24 14.418 -15.278 4.966 1.00 1.12 C ATOM 369 NZ LYS A 24 14.085 -16.508 4.200 1.00 1.56 N ATOM 0 H LYS A 24 16.746 -10.629 4.652 1.00 0.49 H new ATOM 0 HA LYS A 24 13.973 -10.289 5.660 1.00 0.60 H new ATOM 0 HB2 LYS A 24 14.199 -12.099 4.005 1.00 0.78 H new ATOM 0 HB3 LYS A 24 15.516 -12.800 4.924 1.00 0.78 H new ATOM 0 HG2 LYS A 24 14.009 -13.278 6.803 1.00 1.05 H new ATOM 0 HG3 LYS A 24 12.687 -12.463 5.991 1.00 1.05 H new ATOM 0 HD2 LYS A 24 12.437 -14.867 5.689 1.00 1.11 H new ATOM 0 HD3 LYS A 24 12.798 -14.135 4.139 1.00 1.11 H new ATOM 0 HE2 LYS A 24 15.221 -14.743 4.460 1.00 1.12 H new ATOM 0 HE3 LYS A 24 14.791 -15.555 5.952 1.00 1.12 H new ATOM 0 HZ1 LYS A 24 14.949 -17.065 4.045 1.00 1.56 H new ATOM 0 HZ2 LYS A 24 13.398 -17.076 4.736 1.00 1.56 H new ATOM 0 HZ3 LYS A 24 13.674 -16.244 3.282 1.00 1.56 H new ATOM 383 N LYS A 25 14.915 -10.235 7.954 1.00 0.61 N ATOM 384 CA LYS A 25 15.415 -10.217 9.322 1.00 0.64 C ATOM 385 C LYS A 25 14.737 -11.294 10.165 1.00 0.72 C ATOM 386 O LYS A 25 13.578 -11.642 9.931 1.00 0.90 O ATOM 387 CB LYS A 25 15.171 -8.840 9.958 1.00 0.76 C ATOM 388 CG LYS A 25 15.676 -8.733 11.391 1.00 1.52 C ATOM 389 CD LYS A 25 15.150 -7.494 12.101 1.00 1.72 C ATOM 390 CE LYS A 25 15.745 -6.214 11.538 1.00 2.60 C ATOM 391 NZ LYS A 25 15.275 -5.016 12.288 1.00 2.95 N ATOM 0 H LYS A 25 14.124 -9.613 7.786 1.00 0.61 H new ATOM 0 HA LYS A 25 16.486 -10.419 9.291 1.00 0.64 H new ATOM 0 HB2 LYS A 25 15.659 -8.077 9.352 1.00 0.76 H new ATOM 0 HB3 LYS A 25 14.103 -8.625 9.941 1.00 0.76 H new ATOM 0 HG2 LYS A 25 15.376 -9.622 11.946 1.00 1.52 H new ATOM 0 HG3 LYS A 25 16.766 -8.712 11.389 1.00 1.52 H new ATOM 0 HD2 LYS A 25 14.064 -7.459 12.010 1.00 1.72 H new ATOM 0 HD3 LYS A 25 15.379 -7.562 13.165 1.00 1.72 H new ATOM 0 HE2 LYS A 25 16.833 -6.268 11.581 1.00 2.60 H new ATOM 0 HE3 LYS A 25 15.472 -6.117 10.487 1.00 2.60 H new ATOM 0 HZ1 LYS A 25 15.700 -4.160 11.877 1.00 2.95 H new ATOM 0 HZ2 LYS A 25 14.239 -4.952 12.226 1.00 2.95 H new ATOM 0 HZ3 LYS A 25 15.557 -5.098 13.286 1.00 2.95 H new ATOM 405 N GLY A 26 15.469 -11.813 11.140 1.00 0.69 N ATOM 406 CA GLY A 26 14.895 -12.735 12.093 1.00 0.85 C ATOM 407 C GLY A 26 14.488 -12.011 13.356 1.00 0.88 C ATOM 408 O GLY A 26 15.308 -11.328 13.971 1.00 1.32 O ATOM 0 H GLY A 26 16.457 -11.609 11.287 1.00 0.69 H new ATOM 0 HA2 GLY A 26 14.027 -13.227 11.654 1.00 0.85 H new ATOM 0 HA3 GLY A 26 15.617 -13.516 12.332 1.00 0.85 H new ATOM 412 N ASP A 27 13.222 -12.142 13.736 1.00 0.84 N ATOM 413 CA ASP A 27 12.686 -11.416 14.888 1.00 1.01 C ATOM 414 C ASP A 27 13.397 -11.806 16.171 1.00 0.93 C ATOM 415 O ASP A 27 13.923 -10.947 16.880 1.00 1.24 O ATOM 416 CB ASP A 27 11.182 -11.652 15.036 1.00 1.33 C ATOM 417 CG ASP A 27 10.387 -10.974 13.944 1.00 2.08 C ATOM 418 OD1 ASP A 27 10.200 -9.742 14.017 1.00 2.38 O ATOM 419 OD2 ASP A 27 9.946 -11.669 13.007 1.00 2.77 O ATOM 0 H ASP A 27 12.546 -12.743 13.265 1.00 0.84 H new ATOM 0 HA ASP A 27 12.860 -10.355 14.707 1.00 1.01 H new ATOM 0 HB2 ASP A 27 10.981 -12.723 15.018 1.00 1.33 H new ATOM 0 HB3 ASP A 27 10.852 -11.282 16.007 1.00 1.33 H new ATOM 424 N GLU A 28 13.421 -13.097 16.463 1.00 0.91 N ATOM 425 CA GLU A 28 14.071 -13.577 17.666 1.00 0.91 C ATOM 426 C GLU A 28 15.161 -14.577 17.325 1.00 0.96 C ATOM 427 O GLU A 28 15.107 -15.252 16.293 1.00 1.22 O ATOM 428 CB GLU A 28 13.056 -14.213 18.620 1.00 1.11 C ATOM 429 CG GLU A 28 12.376 -15.454 18.066 1.00 1.59 C ATOM 430 CD GLU A 28 11.455 -16.101 19.076 1.00 2.09 C ATOM 431 OE1 GLU A 28 11.955 -16.724 20.032 1.00 2.56 O ATOM 432 OE2 GLU A 28 10.222 -16.003 18.913 1.00 2.64 O ATOM 0 H GLU A 28 13.000 -13.825 15.886 1.00 0.91 H new ATOM 0 HA GLU A 28 14.525 -12.720 18.164 1.00 0.91 H new ATOM 0 HB2 GLU A 28 13.561 -14.473 19.550 1.00 1.11 H new ATOM 0 HB3 GLU A 28 12.294 -13.474 18.868 1.00 1.11 H new ATOM 0 HG2 GLU A 28 11.806 -15.187 17.176 1.00 1.59 H new ATOM 0 HG3 GLU A 28 13.134 -16.173 17.755 1.00 1.59 H new ATOM 439 N GLY A 29 16.158 -14.637 18.184 1.00 0.88 N ATOM 440 CA GLY A 29 17.225 -15.597 18.032 1.00 1.04 C ATOM 441 C GLY A 29 18.164 -15.553 19.216 1.00 0.79 C ATOM 442 O GLY A 29 19.362 -15.767 19.071 1.00 0.90 O ATOM 0 H GLY A 29 16.249 -14.028 18.997 1.00 0.88 H new ATOM 0 HA2 GLY A 29 16.807 -16.599 17.932 1.00 1.04 H new ATOM 0 HA3 GLY A 29 17.778 -15.389 17.116 1.00 1.04 H new ATOM 446 N GLU A 30 17.608 -15.283 20.394 1.00 0.73 N ATOM 447 CA GLU A 30 18.398 -15.121 21.608 1.00 0.80 C ATOM 448 C GLU A 30 19.249 -16.360 21.894 1.00 0.78 C ATOM 449 O GLU A 30 20.410 -16.253 22.285 1.00 0.96 O ATOM 450 CB GLU A 30 17.477 -14.837 22.790 1.00 1.08 C ATOM 451 CG GLU A 30 18.218 -14.500 24.070 1.00 1.35 C ATOM 452 CD GLU A 30 17.288 -14.264 25.236 1.00 1.68 C ATOM 453 OE1 GLU A 30 16.694 -13.165 25.306 1.00 1.89 O ATOM 454 OE2 GLU A 30 17.144 -15.169 26.082 1.00 2.29 O ATOM 0 H GLU A 30 16.604 -15.171 20.532 1.00 0.73 H new ATOM 0 HA GLU A 30 19.074 -14.279 21.460 1.00 0.80 H new ATOM 0 HB2 GLU A 30 16.816 -14.009 22.534 1.00 1.08 H new ATOM 0 HB3 GLU A 30 16.845 -15.708 22.965 1.00 1.08 H new ATOM 0 HG2 GLU A 30 18.901 -15.313 24.314 1.00 1.35 H new ATOM 0 HG3 GLU A 30 18.826 -13.610 23.909 1.00 1.35 H new ATOM 461 N GLU A 31 18.668 -17.532 21.694 1.00 0.76 N ATOM 462 CA GLU A 31 19.387 -18.780 21.878 1.00 0.86 C ATOM 463 C GLU A 31 19.604 -19.443 20.517 1.00 0.78 C ATOM 464 O GLU A 31 19.731 -20.662 20.403 1.00 1.11 O ATOM 465 CB GLU A 31 18.611 -19.699 22.829 1.00 1.09 C ATOM 466 CG GLU A 31 19.476 -20.771 23.473 1.00 1.56 C ATOM 467 CD GLU A 31 18.694 -21.707 24.370 1.00 2.17 C ATOM 468 OE1 GLU A 31 18.408 -21.326 25.526 1.00 2.54 O ATOM 469 OE2 GLU A 31 18.346 -22.818 23.924 1.00 2.64 O ATOM 0 H GLU A 31 17.697 -17.644 21.403 1.00 0.76 H new ATOM 0 HA GLU A 31 20.361 -18.584 22.327 1.00 0.86 H new ATOM 0 HB2 GLU A 31 18.151 -19.095 23.611 1.00 1.09 H new ATOM 0 HB3 GLU A 31 17.801 -20.178 22.279 1.00 1.09 H new ATOM 0 HG2 GLU A 31 19.966 -21.352 22.691 1.00 1.56 H new ATOM 0 HG3 GLU A 31 20.263 -20.292 24.056 1.00 1.56 H new ATOM 476 N ASN A 32 19.641 -18.616 19.479 1.00 0.51 N ATOM 477 CA ASN A 32 19.843 -19.087 18.113 1.00 0.55 C ATOM 478 C ASN A 32 20.835 -18.185 17.389 1.00 0.49 C ATOM 479 O ASN A 32 20.441 -17.328 16.594 1.00 0.57 O ATOM 480 CB ASN A 32 18.509 -19.116 17.347 1.00 0.71 C ATOM 481 CG ASN A 32 17.876 -20.500 17.255 1.00 0.95 C ATOM 482 OD1 ASN A 32 17.120 -20.779 16.324 1.00 1.45 O ATOM 483 ND2 ASN A 32 18.179 -21.376 18.202 1.00 1.19 N ATOM 0 H ASN A 32 19.532 -17.605 19.559 1.00 0.51 H new ATOM 0 HA ASN A 32 20.244 -20.100 18.155 1.00 0.55 H new ATOM 0 HB2 ASN A 32 17.807 -18.439 17.834 1.00 0.71 H new ATOM 0 HB3 ASN A 32 18.672 -18.735 16.339 1.00 0.71 H new ATOM 0 HD21 ASN A 32 17.782 -22.315 18.174 1.00 1.19 H new ATOM 0 HD22 ASN A 32 18.809 -21.111 18.959 1.00 1.19 H new ATOM 490 N ILE A 33 22.118 -18.363 17.678 1.00 0.47 N ATOM 491 CA ILE A 33 23.151 -17.522 17.087 1.00 0.51 C ATOM 492 C ILE A 33 24.198 -18.364 16.359 1.00 0.44 C ATOM 493 O ILE A 33 24.847 -19.225 16.957 1.00 0.47 O ATOM 494 CB ILE A 33 23.855 -16.653 18.158 1.00 0.66 C ATOM 495 CG1 ILE A 33 22.863 -15.696 18.825 1.00 0.74 C ATOM 496 CG2 ILE A 33 25.013 -15.873 17.549 1.00 0.76 C ATOM 497 CD1 ILE A 33 22.223 -14.710 17.866 1.00 0.81 C ATOM 0 H ILE A 33 22.467 -19.079 18.315 1.00 0.47 H new ATOM 0 HA ILE A 33 22.654 -16.868 16.371 1.00 0.51 H new ATOM 0 HB ILE A 33 24.253 -17.323 18.921 1.00 0.66 H new ATOM 0 HG12 ILE A 33 22.079 -16.279 19.308 1.00 0.74 H new ATOM 0 HG13 ILE A 33 23.378 -15.143 19.610 1.00 0.74 H new ATOM 0 HG21 ILE A 33 25.492 -15.270 18.321 1.00 0.76 H new ATOM 0 HG22 ILE A 33 25.740 -16.569 17.129 1.00 0.76 H new ATOM 0 HG23 ILE A 33 24.638 -15.221 16.760 1.00 0.76 H new ATOM 0 HD11 ILE A 33 21.533 -14.067 18.412 1.00 0.81 H new ATOM 0 HD12 ILE A 33 22.997 -14.100 17.401 1.00 0.81 H new ATOM 0 HD13 ILE A 33 21.678 -15.254 17.095 1.00 0.81 H new ATOM 509 N PRO A 34 24.352 -18.144 15.041 1.00 0.46 N ATOM 510 CA PRO A 34 25.404 -18.784 14.249 1.00 0.44 C ATOM 511 C PRO A 34 26.790 -18.315 14.677 1.00 0.52 C ATOM 512 O PRO A 34 27.057 -17.115 14.759 1.00 0.75 O ATOM 513 CB PRO A 34 25.105 -18.344 12.814 1.00 0.51 C ATOM 514 CG PRO A 34 24.291 -17.107 12.955 1.00 0.54 C ATOM 515 CD PRO A 34 23.504 -17.266 14.225 1.00 0.62 C ATOM 0 HA PRO A 34 25.409 -19.867 14.371 1.00 0.44 H new ATOM 0 HB2 PRO A 34 26.024 -18.151 12.260 1.00 0.51 H new ATOM 0 HB3 PRO A 34 24.560 -19.115 12.270 1.00 0.51 H new ATOM 0 HG2 PRO A 34 24.929 -16.224 13.000 1.00 0.54 H new ATOM 0 HG3 PRO A 34 23.628 -16.978 12.100 1.00 0.54 H new ATOM 0 HD2 PRO A 34 23.331 -16.307 14.713 1.00 0.62 H new ATOM 0 HD3 PRO A 34 22.526 -17.710 14.039 1.00 0.62 H new ATOM 523 N LYS A 35 27.670 -19.264 14.943 1.00 0.49 N ATOM 524 CA LYS A 35 28.985 -18.948 15.474 1.00 0.60 C ATOM 525 C LYS A 35 30.088 -19.454 14.562 1.00 0.56 C ATOM 526 O LYS A 35 29.943 -20.486 13.904 1.00 0.58 O ATOM 527 CB LYS A 35 29.157 -19.565 16.859 1.00 0.83 C ATOM 528 CG LYS A 35 28.352 -18.887 17.957 1.00 1.17 C ATOM 529 CD LYS A 35 28.973 -17.563 18.381 1.00 1.46 C ATOM 530 CE LYS A 35 30.454 -17.716 18.709 1.00 1.98 C ATOM 531 NZ LYS A 35 30.699 -18.840 19.649 1.00 2.66 N ATOM 0 H LYS A 35 27.498 -20.259 14.800 1.00 0.49 H new ATOM 0 HA LYS A 35 29.060 -17.863 15.541 1.00 0.60 H new ATOM 0 HB2 LYS A 35 28.871 -20.616 16.813 1.00 0.83 H new ATOM 0 HB3 LYS A 35 30.213 -19.534 17.128 1.00 0.83 H new ATOM 0 HG2 LYS A 35 27.334 -18.715 17.607 1.00 1.17 H new ATOM 0 HG3 LYS A 35 28.285 -19.550 18.820 1.00 1.17 H new ATOM 0 HD2 LYS A 35 28.851 -16.831 17.583 1.00 1.46 H new ATOM 0 HD3 LYS A 35 28.445 -17.176 19.252 1.00 1.46 H new ATOM 0 HE2 LYS A 35 31.014 -17.883 17.789 1.00 1.98 H new ATOM 0 HE3 LYS A 35 30.827 -16.790 19.146 1.00 1.98 H new ATOM 0 HZ1 LYS A 35 31.483 -18.595 20.286 1.00 2.66 H new ATOM 0 HZ2 LYS A 35 29.841 -19.018 20.209 1.00 2.66 H new ATOM 0 HZ3 LYS A 35 30.945 -19.695 19.111 1.00 2.66 H new ATOM 545 N LYS A 36 31.191 -18.723 14.538 1.00 0.67 N ATOM 546 CA LYS A 36 32.368 -19.146 13.801 1.00 0.82 C ATOM 547 C LYS A 36 33.081 -20.237 14.585 1.00 0.84 C ATOM 548 O LYS A 36 33.333 -20.080 15.781 1.00 0.91 O ATOM 549 CB LYS A 36 33.309 -17.964 13.563 1.00 1.09 C ATOM 550 CG LYS A 36 34.506 -18.308 12.690 1.00 1.26 C ATOM 551 CD LYS A 36 35.777 -17.683 13.231 1.00 1.36 C ATOM 552 CE LYS A 36 35.736 -16.161 13.168 1.00 2.14 C ATOM 553 NZ LYS A 36 35.779 -15.648 11.773 1.00 2.51 N ATOM 0 H LYS A 36 31.294 -17.831 15.022 1.00 0.67 H new ATOM 0 HA LYS A 36 32.062 -19.534 12.830 1.00 0.82 H new ATOM 0 HB2 LYS A 36 32.750 -17.153 13.096 1.00 1.09 H new ATOM 0 HB3 LYS A 36 33.665 -17.594 14.524 1.00 1.09 H new ATOM 0 HG2 LYS A 36 34.623 -19.390 12.639 1.00 1.26 H new ATOM 0 HG3 LYS A 36 34.330 -17.958 11.673 1.00 1.26 H new ATOM 0 HD2 LYS A 36 35.926 -17.999 14.263 1.00 1.36 H new ATOM 0 HD3 LYS A 36 36.631 -18.047 12.660 1.00 1.36 H new ATOM 0 HE2 LYS A 36 34.828 -15.805 13.655 1.00 2.14 H new ATOM 0 HE3 LYS A 36 36.579 -15.754 13.727 1.00 2.14 H new ATOM 0 HZ1 LYS A 36 35.936 -14.620 11.786 1.00 2.51 H new ATOM 0 HZ2 LYS A 36 36.554 -16.111 11.257 1.00 2.51 H new ATOM 0 HZ3 LYS A 36 34.876 -15.854 11.299 1.00 2.51 H new ATOM 567 N GLY A 37 33.387 -21.336 13.917 1.00 0.92 N ATOM 568 CA GLY A 37 33.997 -22.466 14.588 1.00 1.04 C ATOM 569 C GLY A 37 32.979 -23.534 14.936 1.00 0.96 C ATOM 570 O GLY A 37 33.328 -24.697 15.133 1.00 1.12 O ATOM 0 H GLY A 37 33.224 -21.468 12.919 1.00 0.92 H new ATOM 0 HA2 GLY A 37 34.769 -22.895 13.948 1.00 1.04 H new ATOM 0 HA3 GLY A 37 34.491 -22.125 15.498 1.00 1.04 H new ATOM 574 N ASN A 38 31.715 -23.132 15.008 1.00 0.79 N ATOM 575 CA ASN A 38 30.629 -24.065 15.296 1.00 0.75 C ATOM 576 C ASN A 38 30.199 -24.774 14.021 1.00 0.72 C ATOM 577 O ASN A 38 30.404 -24.262 12.916 1.00 0.79 O ATOM 578 CB ASN A 38 29.412 -23.352 15.905 1.00 0.75 C ATOM 579 CG ASN A 38 29.669 -22.781 17.288 1.00 0.87 C ATOM 580 OD1 ASN A 38 30.783 -22.375 17.615 1.00 1.38 O ATOM 581 ND2 ASN A 38 28.631 -22.737 18.113 1.00 0.98 N ATOM 0 H ASN A 38 31.416 -22.167 14.871 1.00 0.79 H new ATOM 0 HA ASN A 38 31.005 -24.787 16.021 1.00 0.75 H new ATOM 0 HB2 ASN A 38 29.104 -22.545 15.240 1.00 0.75 H new ATOM 0 HB3 ASN A 38 28.580 -24.054 15.960 1.00 0.75 H new ATOM 0 HD21 ASN A 38 28.742 -22.357 19.053 1.00 0.98 H new ATOM 0 HD22 ASN A 38 27.721 -23.083 17.807 1.00 0.98 H new ATOM 588 N GLU A 39 29.598 -25.943 14.168 1.00 0.71 N ATOM 589 CA GLU A 39 29.137 -26.697 13.021 1.00 0.73 C ATOM 590 C GLU A 39 27.849 -26.079 12.488 1.00 0.63 C ATOM 591 O GLU A 39 26.762 -26.338 13.010 1.00 0.69 O ATOM 592 CB GLU A 39 28.895 -28.160 13.402 1.00 0.86 C ATOM 593 CG GLU A 39 28.911 -29.106 12.214 1.00 1.37 C ATOM 594 CD GLU A 39 30.296 -29.270 11.619 1.00 1.73 C ATOM 595 OE1 GLU A 39 30.800 -28.308 11.004 1.00 2.20 O ATOM 596 OE2 GLU A 39 30.894 -30.354 11.776 1.00 2.17 O ATOM 0 H GLU A 39 29.420 -26.387 15.069 1.00 0.71 H new ATOM 0 HA GLU A 39 29.903 -26.664 12.247 1.00 0.73 H new ATOM 0 HB2 GLU A 39 29.658 -28.472 14.115 1.00 0.86 H new ATOM 0 HB3 GLU A 39 27.933 -28.241 13.908 1.00 0.86 H new ATOM 0 HG2 GLU A 39 28.535 -30.081 12.525 1.00 1.37 H new ATOM 0 HG3 GLU A 39 28.232 -28.733 11.447 1.00 1.37 H new ATOM 603 N VAL A 40 27.981 -25.220 11.487 1.00 0.60 N ATOM 604 CA VAL A 40 26.829 -24.563 10.885 1.00 0.54 C ATOM 605 C VAL A 40 26.801 -24.802 9.377 1.00 0.54 C ATOM 606 O VAL A 40 27.847 -24.920 8.736 1.00 0.67 O ATOM 607 CB VAL A 40 26.819 -23.038 11.166 1.00 0.57 C ATOM 608 CG1 VAL A 40 27.054 -22.743 12.634 1.00 0.61 C ATOM 609 CG2 VAL A 40 27.856 -22.302 10.341 1.00 0.67 C ATOM 0 H VAL A 40 28.877 -24.961 11.074 1.00 0.60 H new ATOM 0 HA VAL A 40 25.940 -24.999 11.341 1.00 0.54 H new ATOM 0 HB VAL A 40 25.829 -22.683 10.881 1.00 0.57 H new ATOM 0 HG11 VAL A 40 27.041 -21.665 12.795 1.00 0.61 H new ATOM 0 HG12 VAL A 40 26.268 -23.209 13.229 1.00 0.61 H new ATOM 0 HG13 VAL A 40 28.022 -23.143 12.935 1.00 0.61 H new ATOM 0 HG21 VAL A 40 27.814 -21.237 10.570 1.00 0.67 H new ATOM 0 HG22 VAL A 40 28.848 -22.685 10.578 1.00 0.67 H new ATOM 0 HG23 VAL A 40 27.652 -22.454 9.281 1.00 0.67 H new ATOM 619 N THR A 41 25.604 -24.875 8.820 1.00 0.46 N ATOM 620 CA THR A 41 25.427 -25.094 7.396 1.00 0.48 C ATOM 621 C THR A 41 24.567 -23.983 6.800 1.00 0.42 C ATOM 622 O THR A 41 23.420 -23.780 7.213 1.00 0.44 O ATOM 623 CB THR A 41 24.776 -26.467 7.132 1.00 0.56 C ATOM 624 OG1 THR A 41 25.579 -27.505 7.716 1.00 0.65 O ATOM 625 CG2 THR A 41 24.625 -26.723 5.643 1.00 0.63 C ATOM 0 H THR A 41 24.731 -24.784 9.340 1.00 0.46 H new ATOM 0 HA THR A 41 26.407 -25.081 6.920 1.00 0.48 H new ATOM 0 HB THR A 41 23.785 -26.466 7.585 1.00 0.56 H new ATOM 0 HG1 THR A 41 26.481 -27.476 7.333 1.00 0.65 H new ATOM 0 HG21 THR A 41 24.163 -27.698 5.486 1.00 0.63 H new ATOM 0 HG22 THR A 41 23.996 -25.949 5.203 1.00 0.63 H new ATOM 0 HG23 THR A 41 25.607 -26.706 5.170 1.00 0.63 H new ATOM 633 N VAL A 42 25.132 -23.250 5.847 1.00 0.40 N ATOM 634 CA VAL A 42 24.432 -22.129 5.238 1.00 0.42 C ATOM 635 C VAL A 42 24.410 -22.241 3.716 1.00 0.43 C ATOM 636 O VAL A 42 25.246 -22.922 3.118 1.00 0.49 O ATOM 637 CB VAL A 42 25.052 -20.775 5.647 1.00 0.46 C ATOM 638 CG1 VAL A 42 24.771 -20.475 7.111 1.00 0.80 C ATOM 639 CG2 VAL A 42 26.547 -20.766 5.383 1.00 0.87 C ATOM 0 H VAL A 42 26.070 -23.413 5.481 1.00 0.40 H new ATOM 0 HA VAL A 42 23.408 -22.168 5.608 1.00 0.42 H new ATOM 0 HB VAL A 42 24.591 -19.996 5.041 1.00 0.46 H new ATOM 0 HG11 VAL A 42 25.217 -19.517 7.378 1.00 0.80 H new ATOM 0 HG12 VAL A 42 23.694 -20.432 7.273 1.00 0.80 H new ATOM 0 HG13 VAL A 42 25.201 -21.261 7.732 1.00 0.80 H new ATOM 0 HG21 VAL A 42 26.963 -19.803 5.678 1.00 0.87 H new ATOM 0 HG22 VAL A 42 27.023 -21.559 5.960 1.00 0.87 H new ATOM 0 HG23 VAL A 42 26.730 -20.930 4.321 1.00 0.87 H new ATOM 649 N HIS A 43 23.443 -21.565 3.111 1.00 0.44 N ATOM 650 CA HIS A 43 23.226 -21.596 1.669 1.00 0.49 C ATOM 651 C HIS A 43 23.594 -20.243 1.058 1.00 0.47 C ATOM 652 O HIS A 43 23.156 -19.205 1.555 1.00 0.53 O ATOM 653 CB HIS A 43 21.745 -21.917 1.406 1.00 0.64 C ATOM 654 CG HIS A 43 21.350 -22.027 -0.036 1.00 1.16 C ATOM 655 ND1 HIS A 43 21.254 -21.093 -1.010 1.00 2.00 N flip ATOM 656 CD2 HIS A 43 20.945 -23.210 -0.606 1.00 2.04 C flip ATOM 657 CE1 HIS A 43 20.789 -21.722 -2.140 1.00 2.74 C flip ATOM 658 NE2 HIS A 43 20.614 -23.001 -1.863 1.00 2.75 N flip ATOM 0 H HIS A 43 22.780 -20.973 3.612 1.00 0.44 H new ATOM 0 HA HIS A 43 23.854 -22.360 1.211 1.00 0.49 H new ATOM 0 HB2 HIS A 43 21.502 -22.856 1.903 1.00 0.64 H new ATOM 0 HB3 HIS A 43 21.136 -21.143 1.872 1.00 0.64 H new ATOM 0 HD1 HIS A 43 21.485 -20.103 -0.922 1.00 2.00 H new ATOM 0 HD2 HIS A 43 20.904 -24.164 -0.101 1.00 2.04 H new ATOM 0 HE1 HIS A 43 20.599 -21.250 -3.093 1.00 2.74 H new ATOM 667 N TYR A 44 24.388 -20.251 -0.010 1.00 0.44 N ATOM 668 CA TYR A 44 24.757 -19.007 -0.676 1.00 0.42 C ATOM 669 C TYR A 44 24.608 -19.126 -2.192 1.00 0.41 C ATOM 670 O TYR A 44 24.979 -20.135 -2.789 1.00 0.47 O ATOM 671 CB TYR A 44 26.189 -18.587 -0.306 1.00 0.46 C ATOM 672 CG TYR A 44 27.287 -19.395 -0.977 1.00 0.50 C ATOM 673 CD1 TYR A 44 27.570 -20.699 -0.587 1.00 0.52 C ATOM 674 CD2 TYR A 44 28.048 -18.837 -1.998 1.00 0.60 C ATOM 675 CE1 TYR A 44 28.581 -21.423 -1.199 1.00 0.60 C ATOM 676 CE2 TYR A 44 29.057 -19.555 -2.614 1.00 0.68 C ATOM 677 CZ TYR A 44 29.318 -20.844 -2.209 1.00 0.66 C ATOM 678 OH TYR A 44 30.321 -21.564 -2.819 1.00 0.76 O ATOM 0 H TYR A 44 24.783 -21.094 -0.428 1.00 0.44 H new ATOM 0 HA TYR A 44 24.073 -18.233 -0.329 1.00 0.42 H new ATOM 0 HB2 TYR A 44 26.322 -17.536 -0.564 1.00 0.46 H new ATOM 0 HB3 TYR A 44 26.308 -18.667 0.775 1.00 0.46 H new ATOM 0 HD1 TYR A 44 26.994 -21.155 0.205 1.00 0.52 H new ATOM 0 HD2 TYR A 44 27.848 -17.824 -2.316 1.00 0.60 H new ATOM 0 HE1 TYR A 44 28.790 -22.435 -0.886 1.00 0.60 H new ATOM 0 HE2 TYR A 44 29.636 -19.107 -3.408 1.00 0.68 H new ATOM 0 HH TYR A 44 30.021 -22.486 -2.963 1.00 0.76 H new ATOM 688 N VAL A 45 24.028 -18.097 -2.793 1.00 0.35 N ATOM 689 CA VAL A 45 23.879 -17.999 -4.243 1.00 0.36 C ATOM 690 C VAL A 45 23.442 -16.576 -4.585 1.00 0.30 C ATOM 691 O VAL A 45 22.826 -15.922 -3.757 1.00 0.30 O ATOM 692 CB VAL A 45 22.844 -19.022 -4.788 1.00 0.44 C ATOM 693 CG1 VAL A 45 21.449 -18.724 -4.260 1.00 0.47 C ATOM 694 CG2 VAL A 45 22.855 -19.057 -6.311 1.00 0.49 C ATOM 0 H VAL A 45 23.644 -17.299 -2.287 1.00 0.35 H new ATOM 0 HA VAL A 45 24.835 -18.231 -4.713 1.00 0.36 H new ATOM 0 HB VAL A 45 23.134 -20.010 -4.429 1.00 0.44 H new ATOM 0 HG11 VAL A 45 20.746 -19.455 -4.658 1.00 0.47 H new ATOM 0 HG12 VAL A 45 21.453 -18.779 -3.171 1.00 0.47 H new ATOM 0 HG13 VAL A 45 21.148 -17.724 -4.572 1.00 0.47 H new ATOM 0 HG21 VAL A 45 22.121 -19.782 -6.664 1.00 0.49 H new ATOM 0 HG22 VAL A 45 22.606 -18.070 -6.699 1.00 0.49 H new ATOM 0 HG23 VAL A 45 23.846 -19.345 -6.661 1.00 0.49 H new ATOM 704 N GLY A 46 23.774 -16.077 -5.763 1.00 0.31 N ATOM 705 CA GLY A 46 23.398 -14.714 -6.094 1.00 0.30 C ATOM 706 C GLY A 46 23.763 -14.336 -7.509 1.00 0.30 C ATOM 707 O GLY A 46 23.400 -15.033 -8.458 1.00 0.36 O ATOM 0 H GLY A 46 24.288 -16.578 -6.488 1.00 0.31 H new ATOM 0 HA2 GLY A 46 22.323 -14.594 -5.956 1.00 0.30 H new ATOM 0 HA3 GLY A 46 23.887 -14.028 -5.402 1.00 0.30 H new ATOM 711 N LYS A 47 24.482 -13.231 -7.658 1.00 0.27 N ATOM 712 CA LYS A 47 24.894 -12.774 -8.972 1.00 0.29 C ATOM 713 C LYS A 47 26.137 -11.896 -8.892 1.00 0.25 C ATOM 714 O LYS A 47 26.574 -11.508 -7.806 1.00 0.26 O ATOM 715 CB LYS A 47 23.756 -12.024 -9.671 1.00 0.36 C ATOM 716 CG LYS A 47 23.344 -10.718 -9.011 1.00 0.42 C ATOM 717 CD LYS A 47 22.224 -10.050 -9.795 1.00 0.66 C ATOM 718 CE LYS A 47 21.858 -8.693 -9.214 1.00 0.83 C ATOM 719 NZ LYS A 47 20.729 -8.057 -9.949 1.00 1.43 N ATOM 0 H LYS A 47 24.789 -12.639 -6.886 1.00 0.27 H new ATOM 0 HA LYS A 47 25.142 -13.656 -9.562 1.00 0.29 H new ATOM 0 HB2 LYS A 47 24.056 -11.815 -10.698 1.00 0.36 H new ATOM 0 HB3 LYS A 47 22.886 -12.679 -9.720 1.00 0.36 H new ATOM 0 HG2 LYS A 47 23.016 -10.909 -7.989 1.00 0.42 H new ATOM 0 HG3 LYS A 47 24.202 -10.049 -8.951 1.00 0.42 H new ATOM 0 HD2 LYS A 47 22.530 -9.930 -10.834 1.00 0.66 H new ATOM 0 HD3 LYS A 47 21.345 -10.695 -9.794 1.00 0.66 H new ATOM 0 HE2 LYS A 47 21.588 -8.809 -8.164 1.00 0.83 H new ATOM 0 HE3 LYS A 47 22.728 -8.037 -9.248 1.00 0.83 H new ATOM 0 HZ1 LYS A 47 20.512 -7.134 -9.521 1.00 1.43 H new ATOM 0 HZ2 LYS A 47 20.995 -7.922 -10.945 1.00 1.43 H new ATOM 0 HZ3 LYS A 47 19.890 -8.670 -9.895 1.00 1.43 H new ATOM 733 N LEU A 48 26.702 -11.592 -10.049 1.00 0.27 N ATOM 734 CA LEU A 48 27.916 -10.797 -10.139 1.00 0.26 C ATOM 735 C LEU A 48 27.573 -9.320 -10.305 1.00 0.25 C ATOM 736 O LEU A 48 27.097 -8.900 -11.358 1.00 0.27 O ATOM 737 CB LEU A 48 28.764 -11.287 -11.322 1.00 0.29 C ATOM 738 CG LEU A 48 30.017 -10.462 -11.635 1.00 0.32 C ATOM 739 CD1 LEU A 48 30.962 -10.433 -10.447 1.00 0.36 C ATOM 740 CD2 LEU A 48 30.726 -11.018 -12.860 1.00 0.38 C ATOM 0 H LEU A 48 26.332 -11.889 -10.952 1.00 0.27 H new ATOM 0 HA LEU A 48 28.488 -10.912 -9.218 1.00 0.26 H new ATOM 0 HB2 LEU A 48 29.069 -12.315 -11.124 1.00 0.29 H new ATOM 0 HB3 LEU A 48 28.134 -11.307 -12.212 1.00 0.29 H new ATOM 0 HG LEU A 48 29.704 -9.439 -11.844 1.00 0.32 H new ATOM 0 HD11 LEU A 48 31.842 -9.841 -10.697 1.00 0.36 H new ATOM 0 HD12 LEU A 48 30.456 -9.987 -9.590 1.00 0.36 H new ATOM 0 HD13 LEU A 48 31.267 -11.450 -10.200 1.00 0.36 H new ATOM 0 HD21 LEU A 48 31.614 -10.421 -13.069 1.00 0.38 H new ATOM 0 HD22 LEU A 48 31.019 -12.051 -12.673 1.00 0.38 H new ATOM 0 HD23 LEU A 48 30.054 -10.981 -13.717 1.00 0.38 H new ATOM 752 N GLU A 49 27.833 -8.537 -9.265 1.00 0.29 N ATOM 753 CA GLU A 49 27.507 -7.113 -9.265 1.00 0.36 C ATOM 754 C GLU A 49 28.361 -6.385 -10.293 1.00 0.34 C ATOM 755 O GLU A 49 27.908 -5.441 -10.936 1.00 0.41 O ATOM 756 CB GLU A 49 27.739 -6.530 -7.862 1.00 0.50 C ATOM 757 CG GLU A 49 27.042 -5.200 -7.591 1.00 0.63 C ATOM 758 CD GLU A 49 27.651 -4.032 -8.343 1.00 1.20 C ATOM 759 OE1 GLU A 49 28.888 -3.887 -8.325 1.00 1.96 O ATOM 760 OE2 GLU A 49 26.897 -3.269 -8.980 1.00 1.75 O ATOM 0 H GLU A 49 28.272 -8.865 -8.405 1.00 0.29 H new ATOM 0 HA GLU A 49 26.458 -6.982 -9.531 1.00 0.36 H new ATOM 0 HB2 GLU A 49 27.401 -7.257 -7.123 1.00 0.50 H new ATOM 0 HB3 GLU A 49 28.811 -6.398 -7.713 1.00 0.50 H new ATOM 0 HG2 GLU A 49 25.990 -5.288 -7.863 1.00 0.63 H new ATOM 0 HG3 GLU A 49 27.078 -4.992 -6.522 1.00 0.63 H new ATOM 767 N SER A 50 29.583 -6.876 -10.473 1.00 0.33 N ATOM 768 CA SER A 50 30.568 -6.229 -11.333 1.00 0.40 C ATOM 769 C SER A 50 30.046 -6.010 -12.761 1.00 0.45 C ATOM 770 O SER A 50 30.583 -5.186 -13.503 1.00 0.55 O ATOM 771 CB SER A 50 31.859 -7.053 -11.361 1.00 0.46 C ATOM 772 OG SER A 50 32.893 -6.374 -12.058 1.00 0.67 O ATOM 0 H SER A 50 29.918 -7.731 -10.028 1.00 0.33 H new ATOM 0 HA SER A 50 30.770 -5.244 -10.912 1.00 0.40 H new ATOM 0 HB2 SER A 50 32.182 -7.261 -10.341 1.00 0.46 H new ATOM 0 HB3 SER A 50 31.668 -8.015 -11.837 1.00 0.46 H new ATOM 0 HG SER A 50 33.704 -6.924 -12.057 1.00 0.67 H new ATOM 778 N THR A 51 29.019 -6.753 -13.153 1.00 0.44 N ATOM 779 CA THR A 51 28.406 -6.569 -14.461 1.00 0.53 C ATOM 780 C THR A 51 26.876 -6.600 -14.376 1.00 0.54 C ATOM 781 O THR A 51 26.192 -5.996 -15.205 1.00 0.73 O ATOM 782 CB THR A 51 28.897 -7.631 -15.472 1.00 0.59 C ATOM 783 OG1 THR A 51 28.240 -7.460 -16.735 1.00 0.72 O ATOM 784 CG2 THR A 51 28.652 -9.038 -14.954 1.00 0.53 C ATOM 0 H THR A 51 28.594 -7.486 -12.585 1.00 0.44 H new ATOM 0 HA THR A 51 28.713 -5.585 -14.815 1.00 0.53 H new ATOM 0 HB THR A 51 29.970 -7.493 -15.603 1.00 0.59 H new ATOM 0 HG1 THR A 51 28.562 -8.138 -17.365 1.00 0.72 H new ATOM 0 HG21 THR A 51 29.008 -9.763 -15.687 1.00 0.53 H new ATOM 0 HG22 THR A 51 29.188 -9.178 -14.015 1.00 0.53 H new ATOM 0 HG23 THR A 51 27.585 -9.184 -14.788 1.00 0.53 H new ATOM 792 N GLY A 52 26.344 -7.288 -13.374 1.00 0.48 N ATOM 793 CA GLY A 52 24.909 -7.399 -13.229 1.00 0.51 C ATOM 794 C GLY A 52 24.385 -8.720 -13.758 1.00 0.54 C ATOM 795 O GLY A 52 23.196 -8.853 -14.056 1.00 0.78 O ATOM 0 H GLY A 52 26.885 -7.772 -12.657 1.00 0.48 H new ATOM 0 HA2 GLY A 52 24.642 -7.298 -12.177 1.00 0.51 H new ATOM 0 HA3 GLY A 52 24.426 -6.579 -13.760 1.00 0.51 H new ATOM 799 N LYS A 53 25.276 -9.696 -13.871 1.00 0.44 N ATOM 800 CA LYS A 53 24.920 -11.011 -14.392 1.00 0.49 C ATOM 801 C LYS A 53 24.521 -11.961 -13.276 1.00 0.41 C ATOM 802 O LYS A 53 25.272 -12.155 -12.318 1.00 0.38 O ATOM 803 CB LYS A 53 26.081 -11.611 -15.189 1.00 0.60 C ATOM 804 CG LYS A 53 26.097 -11.187 -16.646 1.00 0.84 C ATOM 805 CD LYS A 53 24.836 -11.652 -17.355 1.00 1.47 C ATOM 806 CE LYS A 53 24.839 -11.290 -18.829 1.00 2.09 C ATOM 807 NZ LYS A 53 23.619 -11.794 -19.512 1.00 2.89 N ATOM 0 H LYS A 53 26.257 -9.602 -13.607 1.00 0.44 H new ATOM 0 HA LYS A 53 24.064 -10.877 -15.053 1.00 0.49 H new ATOM 0 HB2 LYS A 53 27.022 -11.317 -14.723 1.00 0.60 H new ATOM 0 HB3 LYS A 53 26.025 -12.698 -15.136 1.00 0.60 H new ATOM 0 HG2 LYS A 53 26.179 -10.102 -16.713 1.00 0.84 H new ATOM 0 HG3 LYS A 53 26.974 -11.604 -17.142 1.00 0.84 H new ATOM 0 HD2 LYS A 53 24.739 -12.732 -17.248 1.00 1.47 H new ATOM 0 HD3 LYS A 53 23.966 -11.205 -16.875 1.00 1.47 H new ATOM 0 HE2 LYS A 53 24.899 -10.207 -18.939 1.00 2.09 H new ATOM 0 HE3 LYS A 53 25.725 -11.709 -19.307 1.00 2.09 H new ATOM 0 HZ1 LYS A 53 23.650 -11.531 -20.518 1.00 2.89 H new ATOM 0 HZ2 LYS A 53 23.576 -12.830 -19.426 1.00 2.89 H new ATOM 0 HZ3 LYS A 53 22.776 -11.375 -19.071 1.00 2.89 H new ATOM 821 N VAL A 54 23.343 -12.551 -13.415 1.00 0.44 N ATOM 822 CA VAL A 54 22.832 -13.501 -12.442 1.00 0.44 C ATOM 823 C VAL A 54 23.542 -14.846 -12.603 1.00 0.46 C ATOM 824 O VAL A 54 24.133 -15.116 -13.651 1.00 0.51 O ATOM 825 CB VAL A 54 21.300 -13.671 -12.596 1.00 0.52 C ATOM 826 CG1 VAL A 54 20.953 -14.363 -13.903 1.00 0.59 C ATOM 827 CG2 VAL A 54 20.704 -14.416 -11.411 1.00 0.57 C ATOM 0 H VAL A 54 22.717 -12.385 -14.203 1.00 0.44 H new ATOM 0 HA VAL A 54 23.030 -13.117 -11.441 1.00 0.44 H new ATOM 0 HB VAL A 54 20.860 -12.674 -12.617 1.00 0.52 H new ATOM 0 HG11 VAL A 54 19.871 -14.468 -13.983 1.00 0.59 H new ATOM 0 HG12 VAL A 54 21.322 -13.769 -14.739 1.00 0.59 H new ATOM 0 HG13 VAL A 54 21.416 -15.349 -13.927 1.00 0.59 H new ATOM 0 HG21 VAL A 54 19.628 -14.519 -11.550 1.00 0.57 H new ATOM 0 HG22 VAL A 54 21.157 -15.405 -11.338 1.00 0.57 H new ATOM 0 HG23 VAL A 54 20.900 -13.859 -10.495 1.00 0.57 H new ATOM 837 N PHE A 55 23.506 -15.675 -11.567 1.00 0.48 N ATOM 838 CA PHE A 55 24.149 -16.980 -11.618 1.00 0.54 C ATOM 839 C PHE A 55 23.361 -17.953 -12.482 1.00 0.61 C ATOM 840 O PHE A 55 22.251 -18.364 -12.139 1.00 0.78 O ATOM 841 CB PHE A 55 24.331 -17.555 -10.213 1.00 0.59 C ATOM 842 CG PHE A 55 25.585 -17.094 -9.523 1.00 0.47 C ATOM 843 CD1 PHE A 55 26.289 -15.990 -9.982 1.00 0.52 C ATOM 844 CD2 PHE A 55 26.065 -17.776 -8.419 1.00 0.58 C ATOM 845 CE1 PHE A 55 27.445 -15.577 -9.350 1.00 0.46 C ATOM 846 CE2 PHE A 55 27.218 -17.367 -7.783 1.00 0.70 C ATOM 847 CZ PHE A 55 27.910 -16.266 -8.249 1.00 0.56 C ATOM 0 H PHE A 55 23.040 -15.467 -10.684 1.00 0.48 H new ATOM 0 HA PHE A 55 25.131 -16.841 -12.069 1.00 0.54 H new ATOM 0 HB2 PHE A 55 23.470 -17.279 -9.604 1.00 0.59 H new ATOM 0 HB3 PHE A 55 24.341 -18.643 -10.275 1.00 0.59 H new ATOM 0 HD1 PHE A 55 25.929 -15.447 -10.844 1.00 0.52 H new ATOM 0 HD2 PHE A 55 25.530 -18.639 -8.051 1.00 0.58 H new ATOM 0 HE1 PHE A 55 27.984 -14.716 -9.717 1.00 0.46 H new ATOM 0 HE2 PHE A 55 27.580 -17.907 -6.921 1.00 0.70 H new ATOM 0 HZ PHE A 55 28.814 -15.945 -7.752 1.00 0.56 H new ATOM 857 N ASP A 56 23.947 -18.285 -13.618 1.00 0.61 N ATOM 858 CA ASP A 56 23.376 -19.252 -14.539 1.00 0.71 C ATOM 859 C ASP A 56 24.490 -20.133 -15.087 1.00 0.70 C ATOM 860 O ASP A 56 25.127 -19.805 -16.091 1.00 0.87 O ATOM 861 CB ASP A 56 22.642 -18.532 -15.678 1.00 0.91 C ATOM 862 CG ASP A 56 22.077 -19.476 -16.724 1.00 1.59 C ATOM 863 OD1 ASP A 56 20.923 -19.922 -16.566 1.00 2.18 O ATOM 864 OD2 ASP A 56 22.777 -19.748 -17.726 1.00 2.14 O ATOM 0 H ASP A 56 24.835 -17.891 -13.929 1.00 0.61 H new ATOM 0 HA ASP A 56 22.652 -19.875 -14.015 1.00 0.71 H new ATOM 0 HB2 ASP A 56 21.830 -17.938 -15.259 1.00 0.91 H new ATOM 0 HB3 ASP A 56 23.329 -17.837 -16.160 1.00 0.91 H new ATOM 869 N SER A 57 24.764 -21.220 -14.383 1.00 0.61 N ATOM 870 CA SER A 57 25.835 -22.123 -14.758 1.00 0.67 C ATOM 871 C SER A 57 25.302 -23.550 -14.858 1.00 0.68 C ATOM 872 O SER A 57 24.092 -23.768 -14.823 1.00 0.75 O ATOM 873 CB SER A 57 26.967 -22.038 -13.729 1.00 0.75 C ATOM 874 OG SER A 57 27.462 -20.711 -13.620 1.00 1.24 O ATOM 0 H SER A 57 24.255 -21.497 -13.544 1.00 0.61 H new ATOM 0 HA SER A 57 26.228 -21.834 -15.733 1.00 0.67 H new ATOM 0 HB2 SER A 57 26.605 -22.375 -12.758 1.00 0.75 H new ATOM 0 HB3 SER A 57 27.776 -22.708 -14.018 1.00 0.75 H new ATOM 0 HG SER A 57 28.182 -20.684 -12.956 1.00 1.24 H new ATOM 880 N SER A 58 26.200 -24.509 -15.012 1.00 0.75 N ATOM 881 CA SER A 58 25.817 -25.903 -15.151 1.00 0.82 C ATOM 882 C SER A 58 25.328 -26.510 -13.833 1.00 0.70 C ATOM 883 O SER A 58 24.275 -27.145 -13.785 1.00 0.70 O ATOM 884 CB SER A 58 27.011 -26.692 -15.685 1.00 1.03 C ATOM 885 OG SER A 58 28.204 -26.312 -15.011 1.00 1.49 O ATOM 0 H SER A 58 27.206 -24.345 -15.044 1.00 0.75 H new ATOM 0 HA SER A 58 24.982 -25.957 -15.849 1.00 0.82 H new ATOM 0 HB2 SER A 58 26.837 -27.760 -15.553 1.00 1.03 H new ATOM 0 HB3 SER A 58 27.120 -26.517 -16.755 1.00 1.03 H new ATOM 0 HG SER A 58 28.322 -26.871 -14.215 1.00 1.49 H new ATOM 891 N PHE A 59 26.087 -26.295 -12.765 1.00 0.69 N ATOM 892 CA PHE A 59 25.835 -26.981 -11.505 1.00 0.70 C ATOM 893 C PHE A 59 24.992 -26.148 -10.554 1.00 0.64 C ATOM 894 O PHE A 59 24.019 -26.640 -9.987 1.00 0.67 O ATOM 895 CB PHE A 59 27.158 -27.355 -10.837 1.00 0.85 C ATOM 896 CG PHE A 59 28.028 -28.227 -11.692 1.00 1.08 C ATOM 897 CD1 PHE A 59 27.640 -29.517 -12.008 1.00 1.28 C ATOM 898 CD2 PHE A 59 29.234 -27.754 -12.183 1.00 1.39 C ATOM 899 CE1 PHE A 59 28.438 -30.321 -12.799 1.00 1.58 C ATOM 900 CE2 PHE A 59 30.036 -28.553 -12.972 1.00 1.77 C ATOM 901 CZ PHE A 59 29.638 -29.837 -13.283 1.00 1.80 C ATOM 0 H PHE A 59 26.879 -25.653 -12.747 1.00 0.69 H new ATOM 0 HA PHE A 59 25.271 -27.885 -11.736 1.00 0.70 H new ATOM 0 HB2 PHE A 59 27.702 -26.444 -10.588 1.00 0.85 H new ATOM 0 HB3 PHE A 59 26.951 -27.869 -9.898 1.00 0.85 H new ATOM 0 HD1 PHE A 59 26.703 -29.900 -11.632 1.00 1.28 H new ATOM 0 HD2 PHE A 59 29.550 -26.749 -11.946 1.00 1.39 H new ATOM 0 HE1 PHE A 59 28.124 -31.326 -13.039 1.00 1.58 H new ATOM 0 HE2 PHE A 59 30.975 -28.173 -13.346 1.00 1.77 H new ATOM 0 HZ PHE A 59 30.263 -30.462 -13.903 1.00 1.80 H new ATOM 911 N ASP A 60 25.370 -24.886 -10.400 1.00 0.66 N ATOM 912 CA ASP A 60 24.774 -23.995 -9.396 1.00 0.72 C ATOM 913 C ASP A 60 23.261 -23.870 -9.572 1.00 0.71 C ATOM 914 O ASP A 60 22.530 -23.666 -8.606 1.00 0.86 O ATOM 915 CB ASP A 60 25.413 -22.606 -9.486 1.00 0.83 C ATOM 916 CG ASP A 60 24.907 -21.816 -10.676 1.00 1.54 C ATOM 917 OD1 ASP A 60 24.843 -22.388 -11.784 1.00 1.89 O ATOM 918 OD2 ASP A 60 24.563 -20.631 -10.506 1.00 2.19 O ATOM 0 H ASP A 60 26.097 -24.445 -10.964 1.00 0.66 H new ATOM 0 HA ASP A 60 24.965 -24.432 -8.416 1.00 0.72 H new ATOM 0 HB2 ASP A 60 25.205 -22.053 -8.570 1.00 0.83 H new ATOM 0 HB3 ASP A 60 26.496 -22.710 -9.556 1.00 0.83 H new ATOM 923 N ARG A 61 22.806 -24.002 -10.814 1.00 0.68 N ATOM 924 CA ARG A 61 21.390 -23.890 -11.138 1.00 0.80 C ATOM 925 C ARG A 61 20.604 -25.091 -10.616 1.00 0.75 C ATOM 926 O ARG A 61 19.374 -25.068 -10.572 1.00 0.92 O ATOM 927 CB ARG A 61 21.200 -23.799 -12.653 1.00 0.97 C ATOM 928 CG ARG A 61 21.542 -25.097 -13.367 1.00 1.23 C ATOM 929 CD ARG A 61 21.196 -25.047 -14.844 1.00 1.65 C ATOM 930 NE ARG A 61 21.326 -26.362 -15.472 1.00 1.75 N ATOM 931 CZ ARG A 61 21.610 -26.550 -16.757 1.00 2.15 C ATOM 932 NH1 ARG A 61 21.774 -25.508 -17.563 1.00 2.58 N ATOM 933 NH2 ARG A 61 21.710 -27.784 -17.242 1.00 2.78 N ATOM 0 H ARG A 61 23.405 -24.188 -11.619 1.00 0.68 H new ATOM 0 HA ARG A 61 21.015 -22.986 -10.658 1.00 0.80 H new ATOM 0 HB2 ARG A 61 20.166 -23.532 -12.870 1.00 0.97 H new ATOM 0 HB3 ARG A 61 21.826 -22.997 -13.046 1.00 0.97 H new ATOM 0 HG2 ARG A 61 22.606 -25.304 -13.252 1.00 1.23 H new ATOM 0 HG3 ARG A 61 21.004 -25.921 -12.897 1.00 1.23 H new ATOM 0 HD2 ARG A 61 20.176 -24.683 -14.967 1.00 1.65 H new ATOM 0 HD3 ARG A 61 21.851 -24.336 -15.348 1.00 1.65 H new ATOM 0 HE ARG A 61 21.190 -27.186 -14.887 1.00 1.75 H new ATOM 0 HH11 ARG A 61 21.682 -24.560 -17.197 1.00 2.58 H new ATOM 0 HH12 ARG A 61 21.992 -25.655 -18.549 1.00 2.58 H new ATOM 0 HH21 ARG A 61 21.569 -28.586 -16.628 1.00 2.78 H new ATOM 0 HH22 ARG A 61 21.928 -27.928 -18.228 1.00 2.78 H new ATOM 947 N ASN A 62 21.314 -26.144 -10.240 1.00 0.64 N ATOM 948 CA ASN A 62 20.669 -27.397 -9.873 1.00 0.68 C ATOM 949 C ASN A 62 21.097 -27.865 -8.488 1.00 0.73 C ATOM 950 O ASN A 62 20.259 -28.092 -7.611 1.00 0.89 O ATOM 951 CB ASN A 62 20.989 -28.477 -10.907 1.00 0.71 C ATOM 952 CG ASN A 62 20.097 -29.693 -10.755 1.00 0.83 C ATOM 953 OD1 ASN A 62 19.013 -29.746 -11.334 1.00 0.93 O ATOM 954 ND2 ASN A 62 20.538 -30.677 -9.985 1.00 1.10 N ATOM 0 H ASN A 62 22.332 -26.157 -10.181 1.00 0.64 H new ATOM 0 HA ASN A 62 19.594 -27.221 -9.851 1.00 0.68 H new ATOM 0 HB2 ASN A 62 20.872 -28.065 -11.909 1.00 0.71 H new ATOM 0 HB3 ASN A 62 22.032 -28.778 -10.806 1.00 0.71 H new ATOM 0 HD21 ASN A 62 19.973 -31.516 -9.856 1.00 1.10 H new ATOM 0 HD22 ASN A 62 21.443 -30.595 -9.521 1.00 1.10 H new ATOM 961 N VAL A 63 22.400 -28.022 -8.295 1.00 0.68 N ATOM 962 CA VAL A 63 22.927 -28.500 -7.025 1.00 0.83 C ATOM 963 C VAL A 63 23.421 -27.331 -6.176 1.00 0.62 C ATOM 964 O VAL A 63 24.375 -26.641 -6.532 1.00 0.64 O ATOM 965 CB VAL A 63 24.047 -29.556 -7.220 1.00 1.16 C ATOM 966 CG1 VAL A 63 25.179 -29.025 -8.088 1.00 1.76 C ATOM 967 CG2 VAL A 63 24.578 -30.038 -5.878 1.00 2.03 C ATOM 0 H VAL A 63 23.110 -27.826 -9.001 1.00 0.68 H new ATOM 0 HA VAL A 63 22.111 -28.994 -6.497 1.00 0.83 H new ATOM 0 HB VAL A 63 23.605 -30.405 -7.741 1.00 1.16 H new ATOM 0 HG11 VAL A 63 25.943 -29.794 -8.200 1.00 1.76 H new ATOM 0 HG12 VAL A 63 24.789 -28.755 -9.069 1.00 1.76 H new ATOM 0 HG13 VAL A 63 25.617 -28.145 -7.617 1.00 1.76 H new ATOM 0 HG21 VAL A 63 25.362 -30.778 -6.041 1.00 2.03 H new ATOM 0 HG22 VAL A 63 24.986 -29.193 -5.323 1.00 2.03 H new ATOM 0 HG23 VAL A 63 23.767 -30.489 -5.307 1.00 2.03 H new ATOM 977 N PRO A 64 22.743 -27.081 -5.051 1.00 0.91 N ATOM 978 CA PRO A 64 23.055 -25.960 -4.167 1.00 1.03 C ATOM 979 C PRO A 64 24.427 -26.092 -3.520 1.00 0.81 C ATOM 980 O PRO A 64 24.815 -27.173 -3.065 1.00 0.86 O ATOM 981 CB PRO A 64 21.958 -26.021 -3.094 1.00 1.53 C ATOM 982 CG PRO A 64 20.898 -26.903 -3.662 1.00 1.76 C ATOM 983 CD PRO A 64 21.609 -27.872 -4.556 1.00 1.40 C ATOM 0 HA PRO A 64 23.083 -25.018 -4.714 1.00 1.03 H new ATOM 0 HB2 PRO A 64 22.345 -26.425 -2.158 1.00 1.53 H new ATOM 0 HB3 PRO A 64 21.567 -25.027 -2.875 1.00 1.53 H new ATOM 0 HG2 PRO A 64 20.358 -27.424 -2.872 1.00 1.76 H new ATOM 0 HG3 PRO A 64 20.164 -26.322 -4.220 1.00 1.76 H new ATOM 0 HD2 PRO A 64 21.939 -28.757 -4.013 1.00 1.40 H new ATOM 0 HD3 PRO A 64 20.970 -28.217 -5.369 1.00 1.40 H new ATOM 991 N PHE A 65 25.150 -24.984 -3.470 1.00 0.68 N ATOM 992 CA PHE A 65 26.451 -24.953 -2.830 1.00 0.53 C ATOM 993 C PHE A 65 26.305 -24.498 -1.385 1.00 0.47 C ATOM 994 O PHE A 65 25.683 -23.470 -1.104 1.00 0.54 O ATOM 995 CB PHE A 65 27.403 -24.022 -3.587 1.00 0.62 C ATOM 996 CG PHE A 65 28.577 -24.732 -4.203 1.00 0.72 C ATOM 997 CD1 PHE A 65 28.502 -25.242 -5.491 1.00 1.06 C ATOM 998 CD2 PHE A 65 29.757 -24.886 -3.491 1.00 0.71 C ATOM 999 CE1 PHE A 65 29.586 -25.892 -6.055 1.00 1.31 C ATOM 1000 CE2 PHE A 65 30.841 -25.533 -4.049 1.00 0.95 C ATOM 1001 CZ PHE A 65 30.756 -26.037 -5.332 1.00 1.24 C ATOM 0 H PHE A 65 24.854 -24.092 -3.867 1.00 0.68 H new ATOM 0 HA PHE A 65 26.873 -25.958 -2.846 1.00 0.53 H new ATOM 0 HB2 PHE A 65 26.848 -23.508 -4.371 1.00 0.62 H new ATOM 0 HB3 PHE A 65 27.770 -23.257 -2.903 1.00 0.62 H new ATOM 0 HD1 PHE A 65 27.590 -25.131 -6.058 1.00 1.06 H new ATOM 0 HD2 PHE A 65 29.829 -24.495 -2.487 1.00 0.71 H new ATOM 0 HE1 PHE A 65 29.518 -26.285 -7.058 1.00 1.31 H new ATOM 0 HE2 PHE A 65 31.754 -25.645 -3.483 1.00 0.95 H new ATOM 0 HZ PHE A 65 31.603 -26.544 -5.770 1.00 1.24 H new ATOM 1011 N LYS A 66 26.850 -25.287 -0.471 1.00 0.41 N ATOM 1012 CA LYS A 66 26.789 -24.974 0.947 1.00 0.39 C ATOM 1013 C LYS A 66 28.191 -24.959 1.535 1.00 0.38 C ATOM 1014 O LYS A 66 29.109 -25.564 0.977 1.00 0.48 O ATOM 1015 CB LYS A 66 25.897 -25.994 1.680 1.00 0.45 C ATOM 1016 CG LYS A 66 26.469 -27.410 1.769 1.00 0.60 C ATOM 1017 CD LYS A 66 27.340 -27.597 3.008 1.00 0.67 C ATOM 1018 CE LYS A 66 27.831 -29.030 3.156 1.00 0.93 C ATOM 1019 NZ LYS A 66 28.767 -29.423 2.071 1.00 1.36 N ATOM 0 H LYS A 66 27.342 -26.153 -0.689 1.00 0.41 H new ATOM 0 HA LYS A 66 26.350 -23.985 1.076 1.00 0.39 H new ATOM 0 HB2 LYS A 66 25.710 -25.630 2.690 1.00 0.45 H new ATOM 0 HB3 LYS A 66 24.933 -26.040 1.174 1.00 0.45 H new ATOM 0 HG2 LYS A 66 25.652 -28.131 1.788 1.00 0.60 H new ATOM 0 HG3 LYS A 66 27.058 -27.620 0.876 1.00 0.60 H new ATOM 0 HD2 LYS A 66 28.197 -26.925 2.952 1.00 0.67 H new ATOM 0 HD3 LYS A 66 26.772 -27.316 3.895 1.00 0.67 H new ATOM 0 HE2 LYS A 66 28.328 -29.143 4.120 1.00 0.93 H new ATOM 0 HE3 LYS A 66 26.976 -29.706 3.157 1.00 0.93 H new ATOM 0 HZ1 LYS A 66 29.113 -30.389 2.243 1.00 1.36 H new ATOM 0 HZ2 LYS A 66 28.272 -29.390 1.157 1.00 1.36 H new ATOM 0 HZ3 LYS A 66 29.572 -28.765 2.052 1.00 1.36 H new ATOM 1033 N PHE A 67 28.359 -24.279 2.656 1.00 0.39 N ATOM 1034 CA PHE A 67 29.643 -24.257 3.342 1.00 0.42 C ATOM 1035 C PHE A 67 29.438 -24.137 4.846 1.00 0.42 C ATOM 1036 O PHE A 67 28.313 -23.946 5.314 1.00 0.46 O ATOM 1037 CB PHE A 67 30.527 -23.110 2.827 1.00 0.46 C ATOM 1038 CG PHE A 67 30.034 -21.734 3.170 1.00 0.45 C ATOM 1039 CD1 PHE A 67 29.148 -21.080 2.334 1.00 0.55 C ATOM 1040 CD2 PHE A 67 30.469 -21.091 4.315 1.00 0.43 C ATOM 1041 CE1 PHE A 67 28.701 -19.810 2.636 1.00 0.57 C ATOM 1042 CE2 PHE A 67 30.031 -19.821 4.622 1.00 0.46 C ATOM 1043 CZ PHE A 67 29.144 -19.178 3.782 1.00 0.51 C ATOM 0 H PHE A 67 27.626 -23.735 3.111 1.00 0.39 H new ATOM 0 HA PHE A 67 30.155 -25.196 3.132 1.00 0.42 H new ATOM 0 HB2 PHE A 67 31.531 -23.233 3.233 1.00 0.46 H new ATOM 0 HB3 PHE A 67 30.609 -23.192 1.743 1.00 0.46 H new ATOM 0 HD1 PHE A 67 28.802 -21.568 1.435 1.00 0.55 H new ATOM 0 HD2 PHE A 67 31.161 -21.591 4.977 1.00 0.43 H new ATOM 0 HE1 PHE A 67 28.006 -19.311 1.977 1.00 0.57 H new ATOM 0 HE2 PHE A 67 30.381 -19.330 5.518 1.00 0.46 H new ATOM 0 HZ PHE A 67 28.797 -18.183 4.020 1.00 0.51 H new ATOM 1053 N HIS A 68 30.523 -24.277 5.593 1.00 0.42 N ATOM 1054 CA HIS A 68 30.492 -24.109 7.039 1.00 0.44 C ATOM 1055 C HIS A 68 31.294 -22.871 7.408 1.00 0.42 C ATOM 1056 O HIS A 68 32.255 -22.527 6.715 1.00 0.44 O ATOM 1057 CB HIS A 68 31.052 -25.354 7.745 1.00 0.53 C ATOM 1058 CG HIS A 68 30.157 -26.560 7.656 1.00 0.89 C ATOM 1059 ND1 HIS A 68 29.967 -27.439 8.700 1.00 1.68 N ATOM 1060 CD2 HIS A 68 29.391 -27.024 6.640 1.00 1.56 C ATOM 1061 CE1 HIS A 68 29.118 -28.377 8.334 1.00 1.98 C ATOM 1062 NE2 HIS A 68 28.755 -28.154 7.090 1.00 1.87 N ATOM 0 H HIS A 68 31.443 -24.508 5.218 1.00 0.42 H new ATOM 0 HA HIS A 68 29.460 -23.983 7.368 1.00 0.44 H new ATOM 0 HB2 HIS A 68 32.021 -25.600 7.311 1.00 0.53 H new ATOM 0 HB3 HIS A 68 31.223 -25.118 8.795 1.00 0.53 H new ATOM 0 HD1 HIS A 68 30.414 -27.373 9.614 1.00 1.68 H new ATOM 0 HD2 HIS A 68 29.298 -26.586 5.657 1.00 1.56 H new ATOM 0 HE1 HIS A 68 28.777 -29.194 8.953 1.00 1.98 H new ATOM 1071 N LEU A 69 30.896 -22.194 8.477 1.00 0.44 N ATOM 1072 CA LEU A 69 31.507 -20.920 8.841 1.00 0.47 C ATOM 1073 C LEU A 69 32.963 -21.089 9.262 1.00 0.49 C ATOM 1074 O LEU A 69 33.270 -21.693 10.288 1.00 0.58 O ATOM 1075 CB LEU A 69 30.702 -20.221 9.941 1.00 0.59 C ATOM 1076 CG LEU A 69 31.308 -18.922 10.485 1.00 0.71 C ATOM 1077 CD1 LEU A 69 31.813 -18.039 9.356 1.00 0.74 C ATOM 1078 CD2 LEU A 69 30.280 -18.170 11.312 1.00 0.95 C ATOM 0 H LEU A 69 30.155 -22.503 9.106 1.00 0.44 H new ATOM 0 HA LEU A 69 31.494 -20.290 7.952 1.00 0.47 H new ATOM 0 HB2 LEU A 69 29.707 -20.002 9.554 1.00 0.59 H new ATOM 0 HB3 LEU A 69 30.575 -20.916 10.771 1.00 0.59 H new ATOM 0 HG LEU A 69 32.155 -19.184 11.119 1.00 0.71 H new ATOM 0 HD11 LEU A 69 32.237 -17.125 9.771 1.00 0.74 H new ATOM 0 HD12 LEU A 69 32.579 -18.572 8.792 1.00 0.74 H new ATOM 0 HD13 LEU A 69 30.985 -17.786 8.694 1.00 0.74 H new ATOM 0 HD21 LEU A 69 30.722 -17.249 11.693 1.00 0.95 H new ATOM 0 HD22 LEU A 69 29.419 -17.928 10.689 1.00 0.95 H new ATOM 0 HD23 LEU A 69 29.960 -18.792 12.148 1.00 0.95 H new ATOM 1090 N GLU A 70 33.834 -20.511 8.440 1.00 0.59 N ATOM 1091 CA GLU A 70 35.277 -20.553 8.626 1.00 0.69 C ATOM 1092 C GLU A 70 35.774 -21.990 8.737 1.00 0.69 C ATOM 1093 O GLU A 70 36.073 -22.493 9.823 1.00 0.96 O ATOM 1094 CB GLU A 70 35.713 -19.719 9.834 1.00 0.95 C ATOM 1095 CG GLU A 70 37.030 -18.980 9.622 1.00 1.12 C ATOM 1096 CD GLU A 70 38.201 -19.902 9.338 1.00 1.47 C ATOM 1097 OE1 GLU A 70 38.310 -20.382 8.188 1.00 1.79 O ATOM 1098 OE2 GLU A 70 39.014 -20.155 10.255 1.00 2.08 O ATOM 0 H GLU A 70 33.549 -19.991 7.610 1.00 0.59 H new ATOM 0 HA GLU A 70 35.735 -20.109 7.742 1.00 0.69 H new ATOM 0 HB2 GLU A 70 34.932 -18.994 10.065 1.00 0.95 H new ATOM 0 HB3 GLU A 70 35.808 -20.373 10.701 1.00 0.95 H new ATOM 0 HG2 GLU A 70 36.917 -18.283 8.792 1.00 1.12 H new ATOM 0 HG3 GLU A 70 37.252 -18.386 10.509 1.00 1.12 H new ATOM 1105 N GLN A 71 35.819 -22.646 7.594 1.00 0.68 N ATOM 1106 CA GLN A 71 36.361 -23.990 7.480 1.00 0.86 C ATOM 1107 C GLN A 71 37.638 -23.962 6.644 1.00 0.83 C ATOM 1108 O GLN A 71 38.063 -24.979 6.100 1.00 0.96 O ATOM 1109 CB GLN A 71 35.323 -24.920 6.838 1.00 1.05 C ATOM 1110 CG GLN A 71 34.588 -24.287 5.663 1.00 0.96 C ATOM 1111 CD GLN A 71 33.650 -25.248 4.952 1.00 1.14 C ATOM 1112 OE1 GLN A 71 33.151 -26.204 5.541 1.00 1.98 O ATOM 1113 NE2 GLN A 71 33.356 -24.964 3.692 1.00 0.97 N ATOM 0 H GLN A 71 35.479 -22.261 6.712 1.00 0.68 H new ATOM 0 HA GLN A 71 36.599 -24.367 8.474 1.00 0.86 H new ATOM 0 HB2 GLN A 71 35.821 -25.829 6.499 1.00 1.05 H new ATOM 0 HB3 GLN A 71 34.596 -25.218 7.594 1.00 1.05 H new ATOM 0 HG2 GLN A 71 34.017 -23.430 6.020 1.00 0.96 H new ATOM 0 HG3 GLN A 71 35.318 -23.908 4.948 1.00 0.96 H new ATOM 0 HE21 GLN A 71 33.790 -24.162 3.235 1.00 0.97 H new ATOM 0 HE22 GLN A 71 32.696 -25.547 3.178 1.00 0.97 H new ATOM 1122 N GLY A 72 38.248 -22.781 6.555 1.00 0.72 N ATOM 1123 CA GLY A 72 39.416 -22.601 5.711 1.00 0.72 C ATOM 1124 C GLY A 72 39.035 -22.297 4.275 1.00 0.67 C ATOM 1125 O GLY A 72 39.882 -21.931 3.461 1.00 0.70 O ATOM 0 H GLY A 72 37.951 -21.943 7.055 1.00 0.72 H new ATOM 0 HA2 GLY A 72 40.026 -21.788 6.104 1.00 0.72 H new ATOM 0 HA3 GLY A 72 40.028 -23.502 5.741 1.00 0.72 H new ATOM 1129 N GLU A 73 37.752 -22.445 3.967 1.00 0.63 N ATOM 1130 CA GLU A 73 37.253 -22.237 2.611 1.00 0.62 C ATOM 1131 C GLU A 73 36.757 -20.799 2.425 1.00 0.57 C ATOM 1132 O GLU A 73 36.738 -20.275 1.314 1.00 0.66 O ATOM 1133 CB GLU A 73 36.111 -23.219 2.337 1.00 0.67 C ATOM 1134 CG GLU A 73 36.451 -24.665 2.664 1.00 0.73 C ATOM 1135 CD GLU A 73 37.281 -25.346 1.598 1.00 0.81 C ATOM 1136 OE1 GLU A 73 38.470 -24.983 1.461 1.00 0.92 O ATOM 1137 OE2 GLU A 73 36.759 -26.224 0.893 1.00 0.97 O ATOM 0 H GLU A 73 37.034 -22.710 4.641 1.00 0.63 H new ATOM 0 HA GLU A 73 38.068 -22.410 1.908 1.00 0.62 H new ATOM 0 HB2 GLU A 73 35.240 -22.920 2.920 1.00 0.67 H new ATOM 0 HB3 GLU A 73 35.830 -23.151 1.286 1.00 0.67 H new ATOM 0 HG2 GLU A 73 36.991 -24.698 3.610 1.00 0.73 H new ATOM 0 HG3 GLU A 73 35.526 -25.224 2.806 1.00 0.73 H new ATOM 1144 N VAL A 74 36.370 -20.165 3.525 1.00 0.50 N ATOM 1145 CA VAL A 74 35.792 -18.827 3.487 1.00 0.45 C ATOM 1146 C VAL A 74 36.519 -17.924 4.482 1.00 0.41 C ATOM 1147 O VAL A 74 36.692 -18.286 5.644 1.00 0.46 O ATOM 1148 CB VAL A 74 34.264 -18.860 3.783 1.00 0.50 C ATOM 1149 CG1 VAL A 74 33.519 -19.567 2.654 1.00 0.58 C ATOM 1150 CG2 VAL A 74 33.979 -19.541 5.119 1.00 0.55 C ATOM 0 H VAL A 74 36.447 -20.560 4.462 1.00 0.50 H new ATOM 0 HA VAL A 74 35.919 -18.424 2.482 1.00 0.45 H new ATOM 0 HB VAL A 74 33.909 -17.831 3.846 1.00 0.50 H new ATOM 0 HG11 VAL A 74 32.452 -19.582 2.876 1.00 0.58 H new ATOM 0 HG12 VAL A 74 33.688 -19.035 1.718 1.00 0.58 H new ATOM 0 HG13 VAL A 74 33.885 -20.590 2.561 1.00 0.58 H new ATOM 0 HG21 VAL A 74 32.904 -19.550 5.301 1.00 0.55 H new ATOM 0 HG22 VAL A 74 34.351 -20.565 5.092 1.00 0.55 H new ATOM 0 HG23 VAL A 74 34.478 -18.995 5.920 1.00 0.55 H new ATOM 1160 N ILE A 75 36.980 -16.765 4.018 1.00 0.38 N ATOM 1161 CA ILE A 75 37.796 -15.892 4.857 1.00 0.40 C ATOM 1162 C ILE A 75 36.992 -14.791 5.559 1.00 0.39 C ATOM 1163 O ILE A 75 36.912 -14.773 6.786 1.00 0.47 O ATOM 1164 CB ILE A 75 38.989 -15.250 4.098 1.00 0.45 C ATOM 1165 CG1 ILE A 75 38.609 -14.752 2.691 1.00 0.46 C ATOM 1166 CG2 ILE A 75 40.155 -16.229 4.018 1.00 0.53 C ATOM 1167 CD1 ILE A 75 38.681 -15.813 1.615 1.00 0.62 C ATOM 0 H ILE A 75 36.805 -16.412 3.077 1.00 0.38 H new ATOM 0 HA ILE A 75 38.192 -16.563 5.619 1.00 0.40 H new ATOM 0 HB ILE A 75 39.289 -14.372 4.670 1.00 0.45 H new ATOM 0 HG12 ILE A 75 37.596 -14.350 2.722 1.00 0.46 H new ATOM 0 HG13 ILE A 75 39.270 -13.929 2.419 1.00 0.46 H new ATOM 0 HG21 ILE A 75 40.984 -15.765 3.483 1.00 0.53 H new ATOM 0 HG22 ILE A 75 40.476 -16.495 5.025 1.00 0.53 H new ATOM 0 HG23 ILE A 75 39.840 -17.128 3.488 1.00 0.53 H new ATOM 0 HD11 ILE A 75 38.398 -15.379 0.656 1.00 0.62 H new ATOM 0 HD12 ILE A 75 39.698 -16.199 1.552 1.00 0.62 H new ATOM 0 HD13 ILE A 75 37.998 -16.627 1.860 1.00 0.62 H new ATOM 1179 N LYS A 76 36.400 -13.868 4.799 1.00 0.33 N ATOM 1180 CA LYS A 76 35.766 -12.700 5.410 1.00 0.35 C ATOM 1181 C LYS A 76 34.375 -12.415 4.859 1.00 0.29 C ATOM 1182 O LYS A 76 33.442 -12.206 5.630 1.00 0.31 O ATOM 1183 CB LYS A 76 36.628 -11.450 5.233 1.00 0.48 C ATOM 1184 CG LYS A 76 38.005 -11.549 5.866 1.00 0.62 C ATOM 1185 CD LYS A 76 38.533 -10.177 6.249 1.00 0.98 C ATOM 1186 CE LYS A 76 37.717 -9.576 7.385 1.00 1.18 C ATOM 1187 NZ LYS A 76 38.236 -8.250 7.810 1.00 2.04 N ATOM 0 H LYS A 76 36.346 -13.904 3.781 1.00 0.33 H new ATOM 0 HA LYS A 76 35.667 -12.944 6.468 1.00 0.35 H new ATOM 0 HB2 LYS A 76 36.744 -11.250 4.168 1.00 0.48 H new ATOM 0 HB3 LYS A 76 36.103 -10.597 5.663 1.00 0.48 H new ATOM 0 HG2 LYS A 76 37.957 -12.183 6.751 1.00 0.62 H new ATOM 0 HG3 LYS A 76 38.695 -12.026 5.170 1.00 0.62 H new ATOM 0 HD2 LYS A 76 39.578 -10.256 6.549 1.00 0.98 H new ATOM 0 HD3 LYS A 76 38.500 -9.516 5.383 1.00 0.98 H new ATOM 0 HE2 LYS A 76 36.679 -9.473 7.069 1.00 1.18 H new ATOM 0 HE3 LYS A 76 37.726 -10.257 8.236 1.00 1.18 H new ATOM 0 HZ1 LYS A 76 37.650 -7.880 8.585 1.00 2.04 H new ATOM 0 HZ2 LYS A 76 39.218 -8.350 8.137 1.00 2.04 H new ATOM 0 HZ3 LYS A 76 38.204 -7.591 7.006 1.00 2.04 H new ATOM 1201 N GLY A 77 34.237 -12.399 3.531 1.00 0.29 N ATOM 1202 CA GLY A 77 32.987 -11.964 2.914 1.00 0.30 C ATOM 1203 C GLY A 77 31.771 -12.684 3.457 1.00 0.27 C ATOM 1204 O GLY A 77 30.812 -12.055 3.892 1.00 0.32 O ATOM 0 H GLY A 77 34.965 -12.678 2.873 1.00 0.29 H new ATOM 0 HA2 GLY A 77 32.866 -10.892 3.070 1.00 0.30 H new ATOM 0 HA3 GLY A 77 33.046 -12.125 1.838 1.00 0.30 H new ATOM 1208 N TRP A 78 31.819 -14.002 3.437 1.00 0.24 N ATOM 1209 CA TRP A 78 30.743 -14.809 3.987 1.00 0.26 C ATOM 1210 C TRP A 78 30.820 -14.826 5.505 1.00 0.29 C ATOM 1211 O TRP A 78 29.801 -14.766 6.189 1.00 0.30 O ATOM 1212 CB TRP A 78 30.831 -16.239 3.460 1.00 0.28 C ATOM 1213 CG TRP A 78 31.000 -16.322 1.971 1.00 0.29 C ATOM 1214 CD1 TRP A 78 30.009 -16.466 1.040 1.00 0.32 C ATOM 1215 CD2 TRP A 78 32.237 -16.282 1.238 1.00 0.34 C ATOM 1216 NE1 TRP A 78 30.551 -16.518 -0.221 1.00 0.36 N ATOM 1217 CE2 TRP A 78 31.913 -16.406 -0.128 1.00 0.37 C ATOM 1218 CE3 TRP A 78 33.587 -16.156 1.598 1.00 0.40 C ATOM 1219 CZ2 TRP A 78 32.884 -16.404 -1.128 1.00 0.43 C ATOM 1220 CZ3 TRP A 78 34.548 -16.153 0.605 1.00 0.48 C ATOM 1221 CH2 TRP A 78 34.191 -16.277 -0.745 1.00 0.49 C ATOM 0 H TRP A 78 32.593 -14.539 3.045 1.00 0.24 H new ATOM 0 HA TRP A 78 29.794 -14.370 3.680 1.00 0.26 H new ATOM 0 HB2 TRP A 78 31.669 -16.743 3.941 1.00 0.28 H new ATOM 0 HB3 TRP A 78 29.928 -16.779 3.745 1.00 0.28 H new ATOM 0 HD1 TRP A 78 28.954 -16.530 1.263 1.00 0.32 H new ATOM 0 HE1 TRP A 78 30.024 -16.623 -1.088 1.00 0.36 H new ATOM 0 HE3 TRP A 78 33.871 -16.063 2.636 1.00 0.40 H new ATOM 0 HZ2 TRP A 78 32.614 -16.499 -2.169 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 35.590 -16.054 0.873 1.00 0.48 H new ATOM 0 HH2 TRP A 78 34.964 -16.272 -1.499 1.00 0.49 H new ATOM 1232 N ASP A 79 32.048 -14.880 6.006 1.00 0.35 N ATOM 1233 CA ASP A 79 32.325 -15.074 7.429 1.00 0.42 C ATOM 1234 C ASP A 79 31.617 -14.054 8.311 1.00 0.43 C ATOM 1235 O ASP A 79 30.888 -14.429 9.229 1.00 0.47 O ATOM 1236 CB ASP A 79 33.833 -15.014 7.663 1.00 0.52 C ATOM 1237 CG ASP A 79 34.203 -14.918 9.131 1.00 0.76 C ATOM 1238 OD1 ASP A 79 33.947 -15.876 9.884 1.00 1.14 O ATOM 1239 OD2 ASP A 79 34.771 -13.887 9.537 1.00 0.90 O ATOM 0 H ASP A 79 32.888 -14.790 5.434 1.00 0.35 H new ATOM 0 HA ASP A 79 31.937 -16.053 7.709 1.00 0.42 H new ATOM 0 HB2 ASP A 79 34.297 -15.902 7.235 1.00 0.52 H new ATOM 0 HB3 ASP A 79 34.243 -14.154 7.134 1.00 0.52 H new ATOM 1244 N ILE A 80 31.812 -12.778 8.017 1.00 0.45 N ATOM 1245 CA ILE A 80 31.205 -11.716 8.811 1.00 0.52 C ATOM 1246 C ILE A 80 29.685 -11.736 8.664 1.00 0.47 C ATOM 1247 O ILE A 80 28.950 -11.565 9.641 1.00 0.56 O ATOM 1248 CB ILE A 80 31.761 -10.323 8.420 1.00 0.63 C ATOM 1249 CG1 ILE A 80 33.136 -10.083 9.062 1.00 0.75 C ATOM 1250 CG2 ILE A 80 30.798 -9.206 8.812 1.00 0.78 C ATOM 1251 CD1 ILE A 80 34.254 -10.924 8.483 1.00 0.70 C ATOM 0 H ILE A 80 32.383 -12.451 7.238 1.00 0.45 H new ATOM 0 HA ILE A 80 31.462 -11.900 9.854 1.00 0.52 H new ATOM 0 HB ILE A 80 31.872 -10.311 7.336 1.00 0.63 H new ATOM 0 HG12 ILE A 80 33.396 -9.030 8.952 1.00 0.75 H new ATOM 0 HG13 ILE A 80 33.064 -10.283 10.131 1.00 0.75 H new ATOM 0 HG21 ILE A 80 31.220 -8.244 8.523 1.00 0.78 H new ATOM 0 HG22 ILE A 80 29.845 -9.352 8.303 1.00 0.78 H new ATOM 0 HG23 ILE A 80 30.640 -9.224 9.890 1.00 0.78 H new ATOM 0 HD11 ILE A 80 35.188 -10.690 8.994 1.00 0.70 H new ATOM 0 HD12 ILE A 80 34.022 -11.980 8.617 1.00 0.70 H new ATOM 0 HD13 ILE A 80 34.359 -10.708 7.420 1.00 0.70 H new ATOM 1263 N CYS A 81 29.225 -11.978 7.444 1.00 0.38 N ATOM 1264 CA CYS A 81 27.800 -11.979 7.155 1.00 0.40 C ATOM 1265 C CYS A 81 27.080 -13.077 7.938 1.00 0.35 C ATOM 1266 O CYS A 81 26.083 -12.809 8.611 1.00 0.42 O ATOM 1267 CB CYS A 81 27.556 -12.162 5.653 1.00 0.44 C ATOM 1268 SG CYS A 81 25.821 -11.994 5.155 1.00 0.55 S ATOM 0 H CYS A 81 29.819 -12.176 6.639 1.00 0.38 H new ATOM 0 HA CYS A 81 27.397 -11.015 7.465 1.00 0.40 H new ATOM 0 HB2 CYS A 81 28.151 -11.429 5.108 1.00 0.44 H new ATOM 0 HB3 CYS A 81 27.914 -13.148 5.356 1.00 0.44 H new ATOM 0 HG CYS A 81 25.052 -12.213 6.180 1.00 0.55 H new ATOM 1274 N VAL A 82 27.603 -14.299 7.870 1.00 0.30 N ATOM 1275 CA VAL A 82 26.926 -15.452 8.460 1.00 0.34 C ATOM 1276 C VAL A 82 26.971 -15.433 9.989 1.00 0.39 C ATOM 1277 O VAL A 82 26.036 -15.890 10.640 1.00 0.48 O ATOM 1278 CB VAL A 82 27.480 -16.803 7.948 1.00 0.36 C ATOM 1279 CG1 VAL A 82 27.193 -16.972 6.468 1.00 0.84 C ATOM 1280 CG2 VAL A 82 28.965 -16.927 8.212 1.00 0.73 C ATOM 0 H VAL A 82 28.489 -14.516 7.414 1.00 0.30 H new ATOM 0 HA VAL A 82 25.889 -15.365 8.137 1.00 0.34 H new ATOM 0 HB VAL A 82 26.973 -17.597 8.497 1.00 0.36 H new ATOM 0 HG11 VAL A 82 27.590 -17.928 6.127 1.00 0.84 H new ATOM 0 HG12 VAL A 82 26.116 -16.946 6.301 1.00 0.84 H new ATOM 0 HG13 VAL A 82 27.666 -16.163 5.911 1.00 0.84 H new ATOM 0 HG21 VAL A 82 29.322 -17.887 7.840 1.00 0.73 H new ATOM 0 HG22 VAL A 82 29.494 -16.121 7.702 1.00 0.73 H new ATOM 0 HG23 VAL A 82 29.151 -16.862 9.284 1.00 0.73 H new ATOM 1290 N SER A 83 28.051 -14.901 10.563 1.00 0.39 N ATOM 1291 CA SER A 83 28.214 -14.905 12.018 1.00 0.49 C ATOM 1292 C SER A 83 27.310 -13.872 12.695 1.00 0.48 C ATOM 1293 O SER A 83 27.184 -13.856 13.916 1.00 0.60 O ATOM 1294 CB SER A 83 29.677 -14.661 12.394 1.00 0.63 C ATOM 1295 OG SER A 83 30.196 -13.495 11.770 1.00 1.43 O ATOM 0 H SER A 83 28.818 -14.466 10.050 1.00 0.39 H new ATOM 0 HA SER A 83 27.915 -15.890 12.378 1.00 0.49 H new ATOM 0 HB2 SER A 83 29.762 -14.562 13.476 1.00 0.63 H new ATOM 0 HB3 SER A 83 30.275 -15.525 12.104 1.00 0.63 H new ATOM 0 HG SER A 83 30.476 -13.710 10.856 1.00 1.43 H new ATOM 1301 N SER A 84 26.686 -13.017 11.903 1.00 0.50 N ATOM 1302 CA SER A 84 25.781 -12.009 12.433 1.00 0.53 C ATOM 1303 C SER A 84 24.378 -12.236 11.864 1.00 0.51 C ATOM 1304 O SER A 84 23.655 -11.290 11.539 1.00 0.64 O ATOM 1305 CB SER A 84 26.306 -10.617 12.078 1.00 0.69 C ATOM 1306 OG SER A 84 25.589 -9.591 12.748 1.00 1.23 O ATOM 0 H SER A 84 26.789 -13.000 10.888 1.00 0.50 H new ATOM 0 HA SER A 84 25.726 -12.086 13.519 1.00 0.53 H new ATOM 0 HB2 SER A 84 27.362 -10.551 12.339 1.00 0.69 H new ATOM 0 HB3 SER A 84 26.233 -10.466 11.001 1.00 0.69 H new ATOM 0 HG SER A 84 24.627 -9.720 12.609 1.00 1.23 H new ATOM 1312 N MET A 85 24.009 -13.506 11.750 1.00 0.46 N ATOM 1313 CA MET A 85 22.704 -13.892 11.221 1.00 0.49 C ATOM 1314 C MET A 85 21.833 -14.511 12.308 1.00 0.49 C ATOM 1315 O MET A 85 22.195 -14.531 13.481 1.00 0.74 O ATOM 1316 CB MET A 85 22.860 -14.909 10.079 1.00 0.54 C ATOM 1317 CG MET A 85 23.488 -14.360 8.804 1.00 0.63 C ATOM 1318 SD MET A 85 22.340 -13.434 7.773 1.00 1.05 S ATOM 1319 CE MET A 85 22.111 -11.939 8.723 1.00 2.27 C ATOM 0 H MET A 85 24.600 -14.293 12.019 1.00 0.46 H new ATOM 0 HA MET A 85 22.226 -12.987 10.846 1.00 0.49 H new ATOM 0 HB2 MET A 85 23.467 -15.741 10.435 1.00 0.54 H new ATOM 0 HB3 MET A 85 21.877 -15.313 9.836 1.00 0.54 H new ATOM 0 HG2 MET A 85 24.325 -13.715 9.071 1.00 0.63 H new ATOM 0 HG3 MET A 85 23.896 -15.188 8.225 1.00 0.63 H new ATOM 0 HE1 MET A 85 21.055 -11.669 8.727 1.00 2.27 H new ATOM 0 HE2 MET A 85 22.447 -12.103 9.747 1.00 2.27 H new ATOM 0 HE3 MET A 85 22.691 -11.131 8.276 1.00 2.27 H new ATOM 1329 N ARG A 86 20.684 -15.002 11.888 1.00 0.45 N ATOM 1330 CA ARG A 86 19.794 -15.782 12.729 1.00 0.46 C ATOM 1331 C ARG A 86 19.330 -16.993 11.933 1.00 0.49 C ATOM 1332 O ARG A 86 19.576 -17.064 10.728 1.00 0.57 O ATOM 1333 CB ARG A 86 18.605 -14.938 13.194 1.00 0.49 C ATOM 1334 CG ARG A 86 18.820 -14.284 14.552 1.00 0.96 C ATOM 1335 CD ARG A 86 18.256 -12.872 14.597 1.00 1.24 C ATOM 1336 NE ARG A 86 19.006 -11.973 13.727 1.00 2.20 N ATOM 1337 CZ ARG A 86 19.674 -10.907 14.151 1.00 3.10 C ATOM 1338 NH1 ARG A 86 19.597 -10.514 15.413 1.00 3.34 N ATOM 1339 NH2 ARG A 86 20.405 -10.217 13.291 1.00 4.19 N ATOM 0 H ARG A 86 20.336 -14.869 10.938 1.00 0.45 H new ATOM 0 HA ARG A 86 20.320 -16.111 13.625 1.00 0.46 H new ATOM 0 HB2 ARG A 86 18.408 -14.163 12.453 1.00 0.49 H new ATOM 0 HB3 ARG A 86 17.717 -15.569 13.240 1.00 0.49 H new ATOM 0 HG2 ARG A 86 18.347 -14.889 15.325 1.00 0.96 H new ATOM 0 HG3 ARG A 86 19.886 -14.256 14.777 1.00 0.96 H new ATOM 0 HD2 ARG A 86 17.209 -12.886 14.293 1.00 1.24 H new ATOM 0 HD3 ARG A 86 18.285 -12.499 15.621 1.00 1.24 H new ATOM 0 HE ARG A 86 19.018 -12.177 12.728 1.00 2.20 H new ATOM 0 HH11 ARG A 86 19.019 -11.032 16.074 1.00 3.34 H new ATOM 0 HH12 ARG A 86 20.116 -9.693 15.724 1.00 3.34 H new ATOM 0 HH21 ARG A 86 20.451 -10.506 12.314 1.00 4.19 H new ATOM 0 HH22 ARG A 86 20.923 -9.396 13.605 1.00 4.19 H new ATOM 1353 N LYS A 87 18.653 -17.930 12.586 1.00 0.51 N ATOM 1354 CA LYS A 87 18.327 -19.211 11.961 1.00 0.59 C ATOM 1355 C LYS A 87 17.418 -19.045 10.744 1.00 0.59 C ATOM 1356 O LYS A 87 17.490 -19.830 9.802 1.00 0.74 O ATOM 1357 CB LYS A 87 17.665 -20.157 12.966 1.00 0.68 C ATOM 1358 CG LYS A 87 17.376 -21.527 12.372 1.00 0.84 C ATOM 1359 CD LYS A 87 16.620 -22.427 13.333 1.00 1.03 C ATOM 1360 CE LYS A 87 16.296 -23.763 12.685 1.00 1.26 C ATOM 1361 NZ LYS A 87 15.472 -23.594 11.456 1.00 1.94 N ATOM 0 H LYS A 87 18.319 -17.830 13.545 1.00 0.51 H new ATOM 0 HA LYS A 87 19.270 -19.641 11.624 1.00 0.59 H new ATOM 0 HB2 LYS A 87 18.313 -20.271 13.835 1.00 0.68 H new ATOM 0 HB3 LYS A 87 16.734 -19.714 13.319 1.00 0.68 H new ATOM 0 HG2 LYS A 87 16.796 -21.408 11.457 1.00 0.84 H new ATOM 0 HG3 LYS A 87 18.315 -22.005 12.094 1.00 0.84 H new ATOM 0 HD2 LYS A 87 17.216 -22.589 14.231 1.00 1.03 H new ATOM 0 HD3 LYS A 87 15.698 -21.938 13.647 1.00 1.03 H new ATOM 0 HE2 LYS A 87 17.222 -24.280 12.434 1.00 1.26 H new ATOM 0 HE3 LYS A 87 15.763 -24.393 13.397 1.00 1.26 H new ATOM 0 HZ1 LYS A 87 15.019 -24.499 11.215 1.00 1.94 H new ATOM 0 HZ2 LYS A 87 14.740 -22.875 11.625 1.00 1.94 H new ATOM 0 HZ3 LYS A 87 16.081 -23.291 10.669 1.00 1.94 H new ATOM 1375 N ASN A 88 16.563 -18.035 10.767 1.00 0.55 N ATOM 1376 CA ASN A 88 15.625 -17.809 9.667 1.00 0.66 C ATOM 1377 C ASN A 88 15.875 -16.458 9.015 1.00 0.60 C ATOM 1378 O ASN A 88 14.983 -15.873 8.398 1.00 0.71 O ATOM 1379 CB ASN A 88 14.179 -17.894 10.170 1.00 0.79 C ATOM 1380 CG ASN A 88 13.782 -19.300 10.580 1.00 0.96 C ATOM 1381 OD1 ASN A 88 13.288 -20.077 9.767 1.00 1.23 O ATOM 1382 ND2 ASN A 88 13.999 -19.639 11.843 1.00 1.20 N ATOM 0 H ASN A 88 16.495 -17.360 11.528 1.00 0.55 H new ATOM 0 HA ASN A 88 15.783 -18.587 8.920 1.00 0.66 H new ATOM 0 HB2 ASN A 88 14.055 -17.223 11.020 1.00 0.79 H new ATOM 0 HB3 ASN A 88 13.506 -17.545 9.387 1.00 0.79 H new ATOM 0 HD21 ASN A 88 13.754 -20.574 12.170 1.00 1.20 H new ATOM 0 HD22 ASN A 88 14.411 -18.965 12.488 1.00 1.20 H new ATOM 1389 N GLU A 89 17.101 -15.985 9.130 1.00 0.50 N ATOM 1390 CA GLU A 89 17.462 -14.677 8.621 1.00 0.46 C ATOM 1391 C GLU A 89 18.258 -14.808 7.325 1.00 0.47 C ATOM 1392 O GLU A 89 18.980 -15.787 7.124 1.00 0.65 O ATOM 1393 CB GLU A 89 18.260 -13.921 9.683 1.00 0.50 C ATOM 1394 CG GLU A 89 18.516 -12.465 9.351 1.00 0.48 C ATOM 1395 CD GLU A 89 18.892 -11.663 10.572 1.00 1.01 C ATOM 1396 OE1 GLU A 89 20.053 -11.762 11.013 1.00 1.60 O ATOM 1397 OE2 GLU A 89 18.046 -10.902 11.078 1.00 1.38 O ATOM 0 H GLU A 89 17.867 -16.491 9.574 1.00 0.50 H new ATOM 0 HA GLU A 89 16.556 -14.114 8.396 1.00 0.46 H new ATOM 0 HB2 GLU A 89 17.725 -13.977 10.631 1.00 0.50 H new ATOM 0 HB3 GLU A 89 19.217 -14.422 9.827 1.00 0.50 H new ATOM 0 HG2 GLU A 89 19.315 -12.397 8.613 1.00 0.48 H new ATOM 0 HG3 GLU A 89 17.624 -12.035 8.896 1.00 0.48 H new ATOM 1404 N LYS A 90 18.104 -13.826 6.448 1.00 0.39 N ATOM 1405 CA LYS A 90 18.757 -13.838 5.147 1.00 0.40 C ATOM 1406 C LYS A 90 19.143 -12.424 4.724 1.00 0.39 C ATOM 1407 O LYS A 90 18.319 -11.509 4.752 1.00 0.47 O ATOM 1408 CB LYS A 90 17.835 -14.463 4.093 1.00 0.50 C ATOM 1409 CG LYS A 90 18.325 -14.277 2.665 1.00 0.56 C ATOM 1410 CD LYS A 90 17.391 -14.913 1.652 1.00 0.93 C ATOM 1411 CE LYS A 90 17.819 -14.562 0.241 1.00 0.85 C ATOM 1412 NZ LYS A 90 17.025 -15.276 -0.790 1.00 1.17 N ATOM 0 H LYS A 90 17.526 -13.003 6.617 1.00 0.39 H new ATOM 0 HA LYS A 90 19.663 -14.438 5.228 1.00 0.40 H new ATOM 0 HB2 LYS A 90 17.734 -15.529 4.297 1.00 0.50 H new ATOM 0 HB3 LYS A 90 16.841 -14.025 4.187 1.00 0.50 H new ATOM 0 HG2 LYS A 90 18.420 -13.212 2.451 1.00 0.56 H new ATOM 0 HG3 LYS A 90 19.319 -14.713 2.564 1.00 0.56 H new ATOM 0 HD2 LYS A 90 17.390 -15.996 1.779 1.00 0.93 H new ATOM 0 HD3 LYS A 90 16.371 -14.571 1.824 1.00 0.93 H new ATOM 0 HE2 LYS A 90 17.719 -13.487 0.092 1.00 0.85 H new ATOM 0 HE3 LYS A 90 18.874 -14.804 0.114 1.00 0.85 H new ATOM 0 HZ1 LYS A 90 17.132 -14.795 -1.706 1.00 1.17 H new ATOM 0 HZ2 LYS A 90 17.364 -16.256 -0.872 1.00 1.17 H new ATOM 0 HZ3 LYS A 90 16.022 -15.278 -0.516 1.00 1.17 H new ATOM 1426 N CYS A 91 20.393 -12.255 4.320 1.00 0.35 N ATOM 1427 CA CYS A 91 20.882 -10.959 3.875 1.00 0.38 C ATOM 1428 C CYS A 91 21.724 -11.090 2.611 1.00 0.32 C ATOM 1429 O CYS A 91 22.168 -12.185 2.252 1.00 0.37 O ATOM 1430 CB CYS A 91 21.698 -10.287 4.982 1.00 0.48 C ATOM 1431 SG CYS A 91 20.731 -9.846 6.443 1.00 1.20 S ATOM 0 H CYS A 91 21.088 -13.001 4.291 1.00 0.35 H new ATOM 0 HA CYS A 91 20.016 -10.338 3.644 1.00 0.38 H new ATOM 0 HB2 CYS A 91 22.505 -10.956 5.281 1.00 0.48 H new ATOM 0 HB3 CYS A 91 22.163 -9.386 4.581 1.00 0.48 H new ATOM 0 HG CYS A 91 19.510 -10.267 6.298 1.00 1.20 H new ATOM 1437 N LEU A 92 21.917 -9.967 1.934 1.00 0.31 N ATOM 1438 CA LEU A 92 22.748 -9.914 0.741 1.00 0.32 C ATOM 1439 C LEU A 92 24.101 -9.315 1.083 1.00 0.28 C ATOM 1440 O LEU A 92 24.186 -8.175 1.542 1.00 0.39 O ATOM 1441 CB LEU A 92 22.080 -9.076 -0.353 1.00 0.40 C ATOM 1442 CG LEU A 92 21.239 -9.854 -1.372 1.00 0.79 C ATOM 1443 CD1 LEU A 92 22.133 -10.726 -2.235 1.00 1.39 C ATOM 1444 CD2 LEU A 92 20.178 -10.702 -0.681 1.00 1.73 C ATOM 0 H LEU A 92 21.504 -9.072 2.195 1.00 0.31 H new ATOM 0 HA LEU A 92 22.879 -10.930 0.370 1.00 0.32 H new ATOM 0 HB2 LEU A 92 21.441 -8.333 0.124 1.00 0.40 H new ATOM 0 HB3 LEU A 92 22.856 -8.531 -0.891 1.00 0.40 H new ATOM 0 HG LEU A 92 20.728 -9.132 -2.009 1.00 0.79 H new ATOM 0 HD11 LEU A 92 21.523 -11.273 -2.954 1.00 1.39 H new ATOM 0 HD12 LEU A 92 22.848 -10.099 -2.768 1.00 1.39 H new ATOM 0 HD13 LEU A 92 22.671 -11.433 -1.603 1.00 1.39 H new ATOM 0 HD21 LEU A 92 19.598 -11.241 -1.430 1.00 1.73 H new ATOM 0 HD22 LEU A 92 20.661 -11.415 -0.013 1.00 1.73 H new ATOM 0 HD23 LEU A 92 19.515 -10.057 -0.105 1.00 1.73 H new ATOM 1456 N VAL A 93 25.146 -10.087 0.863 1.00 0.25 N ATOM 1457 CA VAL A 93 26.495 -9.644 1.173 1.00 0.25 C ATOM 1458 C VAL A 93 27.296 -9.394 -0.107 1.00 0.23 C ATOM 1459 O VAL A 93 27.169 -10.133 -1.090 1.00 0.26 O ATOM 1460 CB VAL A 93 27.226 -10.674 2.070 1.00 0.34 C ATOM 1461 CG1 VAL A 93 27.278 -12.041 1.400 1.00 0.74 C ATOM 1462 CG2 VAL A 93 28.623 -10.193 2.432 1.00 0.60 C ATOM 0 H VAL A 93 25.089 -11.027 0.470 1.00 0.25 H new ATOM 0 HA VAL A 93 26.417 -8.705 1.721 1.00 0.25 H new ATOM 0 HB VAL A 93 26.657 -10.773 2.994 1.00 0.34 H new ATOM 0 HG11 VAL A 93 27.796 -12.746 2.050 1.00 0.74 H new ATOM 0 HG12 VAL A 93 26.264 -12.395 1.217 1.00 0.74 H new ATOM 0 HG13 VAL A 93 27.811 -11.962 0.453 1.00 0.74 H new ATOM 0 HG21 VAL A 93 29.112 -10.936 3.062 1.00 0.60 H new ATOM 0 HG22 VAL A 93 29.205 -10.049 1.522 1.00 0.60 H new ATOM 0 HG23 VAL A 93 28.554 -9.249 2.972 1.00 0.60 H new ATOM 1472 N ARG A 94 28.100 -8.333 -0.100 1.00 0.25 N ATOM 1473 CA ARG A 94 28.943 -8.004 -1.242 1.00 0.30 C ATOM 1474 C ARG A 94 30.357 -8.490 -0.992 1.00 0.33 C ATOM 1475 O ARG A 94 31.055 -7.982 -0.117 1.00 0.38 O ATOM 1476 CB ARG A 94 28.969 -6.496 -1.515 1.00 0.40 C ATOM 1477 CG ARG A 94 27.862 -5.989 -2.434 1.00 0.92 C ATOM 1478 CD ARG A 94 26.487 -6.169 -1.816 1.00 0.65 C ATOM 1479 NE ARG A 94 25.460 -5.390 -2.517 1.00 0.89 N ATOM 1480 CZ ARG A 94 25.285 -4.076 -2.367 1.00 1.05 C ATOM 1481 NH1 ARG A 94 26.069 -3.387 -1.547 1.00 1.71 N ATOM 1482 NH2 ARG A 94 24.320 -3.452 -3.037 1.00 1.58 N ATOM 0 H ARG A 94 28.184 -7.687 0.685 1.00 0.25 H new ATOM 0 HA ARG A 94 28.522 -8.500 -2.116 1.00 0.30 H new ATOM 0 HB2 ARG A 94 28.901 -5.968 -0.564 1.00 0.40 H new ATOM 0 HB3 ARG A 94 29.932 -6.238 -1.955 1.00 0.40 H new ATOM 0 HG2 ARG A 94 28.026 -4.934 -2.653 1.00 0.92 H new ATOM 0 HG3 ARG A 94 27.906 -6.522 -3.384 1.00 0.92 H new ATOM 0 HD2 ARG A 94 26.217 -7.225 -1.836 1.00 0.65 H new ATOM 0 HD3 ARG A 94 26.518 -5.867 -0.769 1.00 0.65 H new ATOM 0 HE ARG A 94 24.841 -5.884 -3.159 1.00 0.89 H new ATOM 0 HH11 ARG A 94 26.808 -3.862 -1.029 1.00 1.71 H new ATOM 0 HH12 ARG A 94 25.932 -2.382 -1.435 1.00 1.71 H new ATOM 0 HH21 ARG A 94 23.713 -3.978 -3.666 1.00 1.58 H new ATOM 0 HH22 ARG A 94 24.187 -2.447 -2.922 1.00 1.58 H new ATOM 1496 N ILE A 95 30.774 -9.477 -1.760 1.00 0.35 N ATOM 1497 CA ILE A 95 32.114 -10.007 -1.633 1.00 0.38 C ATOM 1498 C ILE A 95 33.072 -9.227 -2.520 1.00 0.41 C ATOM 1499 O ILE A 95 33.033 -9.329 -3.748 1.00 0.45 O ATOM 1500 CB ILE A 95 32.191 -11.527 -1.947 1.00 0.43 C ATOM 1501 CG1 ILE A 95 31.676 -12.355 -0.762 1.00 0.47 C ATOM 1502 CG2 ILE A 95 33.617 -11.946 -2.274 1.00 0.52 C ATOM 1503 CD1 ILE A 95 30.219 -12.134 -0.431 1.00 0.51 C ATOM 0 H ILE A 95 30.204 -9.926 -2.477 1.00 0.35 H new ATOM 0 HA ILE A 95 32.409 -9.889 -0.590 1.00 0.38 H new ATOM 0 HB ILE A 95 31.560 -11.714 -2.816 1.00 0.43 H new ATOM 0 HG12 ILE A 95 31.830 -13.412 -0.979 1.00 0.47 H new ATOM 0 HG13 ILE A 95 32.275 -12.120 0.117 1.00 0.47 H new ATOM 0 HG21 ILE A 95 33.642 -13.014 -2.490 1.00 0.52 H new ATOM 0 HG22 ILE A 95 33.969 -11.392 -3.144 1.00 0.52 H new ATOM 0 HG23 ILE A 95 34.263 -11.733 -1.423 1.00 0.52 H new ATOM 0 HD11 ILE A 95 29.940 -12.758 0.418 1.00 0.51 H new ATOM 0 HD12 ILE A 95 30.058 -11.086 -0.179 1.00 0.51 H new ATOM 0 HD13 ILE A 95 29.606 -12.398 -1.293 1.00 0.51 H new ATOM 1515 N GLU A 96 33.872 -8.398 -1.872 1.00 0.43 N ATOM 1516 CA GLU A 96 34.940 -7.654 -2.520 1.00 0.49 C ATOM 1517 C GLU A 96 36.125 -8.599 -2.707 1.00 0.45 C ATOM 1518 O GLU A 96 36.179 -9.655 -2.073 1.00 0.45 O ATOM 1519 CB GLU A 96 35.324 -6.454 -1.633 1.00 0.55 C ATOM 1520 CG GLU A 96 35.846 -5.229 -2.377 1.00 0.77 C ATOM 1521 CD GLU A 96 37.218 -5.423 -2.979 1.00 0.88 C ATOM 1522 OE1 GLU A 96 38.213 -5.391 -2.230 1.00 1.37 O ATOM 1523 OE2 GLU A 96 37.310 -5.623 -4.208 1.00 1.19 O ATOM 0 H GLU A 96 33.798 -8.220 -0.870 1.00 0.43 H new ATOM 0 HA GLU A 96 34.626 -7.274 -3.492 1.00 0.49 H new ATOM 0 HB2 GLU A 96 34.450 -6.160 -1.052 1.00 0.55 H new ATOM 0 HB3 GLU A 96 36.085 -6.778 -0.923 1.00 0.55 H new ATOM 0 HG2 GLU A 96 35.144 -4.970 -3.170 1.00 0.77 H new ATOM 0 HG3 GLU A 96 35.877 -4.383 -1.690 1.00 0.77 H new ATOM 1530 N SER A 97 37.069 -8.230 -3.560 1.00 0.49 N ATOM 1531 CA SER A 97 38.245 -9.054 -3.796 1.00 0.54 C ATOM 1532 C SER A 97 39.019 -9.281 -2.495 1.00 0.52 C ATOM 1533 O SER A 97 39.643 -10.325 -2.314 1.00 0.59 O ATOM 1534 CB SER A 97 39.149 -8.415 -4.860 1.00 0.64 C ATOM 1535 OG SER A 97 39.528 -7.098 -4.500 1.00 1.00 O ATOM 0 H SER A 97 37.044 -7.365 -4.100 1.00 0.49 H new ATOM 0 HA SER A 97 37.912 -10.023 -4.167 1.00 0.54 H new ATOM 0 HB2 SER A 97 40.041 -9.027 -4.995 1.00 0.64 H new ATOM 0 HB3 SER A 97 38.628 -8.395 -5.817 1.00 0.64 H new ATOM 0 HG SER A 97 38.766 -6.493 -4.622 1.00 1.00 H new ATOM 1541 N MET A 98 38.946 -8.312 -1.577 1.00 0.48 N ATOM 1542 CA MET A 98 39.623 -8.434 -0.286 1.00 0.53 C ATOM 1543 C MET A 98 38.869 -9.387 0.649 1.00 0.49 C ATOM 1544 O MET A 98 39.365 -9.750 1.714 1.00 0.58 O ATOM 1545 CB MET A 98 39.767 -7.067 0.397 1.00 0.59 C ATOM 1546 CG MET A 98 38.439 -6.449 0.801 1.00 0.57 C ATOM 1547 SD MET A 98 38.615 -5.138 2.027 1.00 0.79 S ATOM 1548 CE MET A 98 39.309 -6.054 3.398 1.00 1.79 C ATOM 0 H MET A 98 38.429 -7.442 -1.704 1.00 0.48 H new ATOM 0 HA MET A 98 40.615 -8.840 -0.484 1.00 0.53 H new ATOM 0 HB2 MET A 98 40.392 -7.176 1.283 1.00 0.59 H new ATOM 0 HB3 MET A 98 40.286 -6.386 -0.277 1.00 0.59 H new ATOM 0 HG2 MET A 98 37.947 -6.047 -0.085 1.00 0.57 H new ATOM 0 HG3 MET A 98 37.789 -7.227 1.200 1.00 0.57 H new ATOM 0 HE1 MET A 98 39.074 -5.544 4.332 1.00 1.79 H new ATOM 0 HE2 MET A 98 38.886 -7.058 3.416 1.00 1.79 H new ATOM 0 HE3 MET A 98 40.391 -6.118 3.282 1.00 1.79 H new ATOM 1558 N TYR A 99 37.663 -9.783 0.252 1.00 0.41 N ATOM 1559 CA TYR A 99 36.826 -10.643 1.088 1.00 0.43 C ATOM 1560 C TYR A 99 36.881 -12.095 0.624 1.00 0.49 C ATOM 1561 O TYR A 99 36.304 -12.979 1.266 1.00 0.48 O ATOM 1562 CB TYR A 99 35.364 -10.176 1.077 1.00 0.43 C ATOM 1563 CG TYR A 99 35.128 -8.792 1.646 1.00 0.46 C ATOM 1564 CD1 TYR A 99 35.982 -8.238 2.591 1.00 0.51 C ATOM 1565 CD2 TYR A 99 34.035 -8.043 1.235 1.00 0.53 C ATOM 1566 CE1 TYR A 99 35.752 -6.977 3.106 1.00 0.59 C ATOM 1567 CE2 TYR A 99 33.799 -6.782 1.744 1.00 0.62 C ATOM 1568 CZ TYR A 99 34.660 -6.254 2.678 1.00 0.63 C ATOM 1569 OH TYR A 99 34.425 -4.998 3.183 1.00 0.75 O ATOM 0 H TYR A 99 37.243 -9.524 -0.641 1.00 0.41 H new ATOM 0 HA TYR A 99 37.221 -10.575 2.102 1.00 0.43 H new ATOM 0 HB2 TYR A 99 35.000 -10.197 0.050 1.00 0.43 H new ATOM 0 HB3 TYR A 99 34.766 -10.891 1.642 1.00 0.43 H new ATOM 0 HD1 TYR A 99 36.839 -8.802 2.928 1.00 0.51 H new ATOM 0 HD2 TYR A 99 33.356 -8.454 0.503 1.00 0.53 H new ATOM 0 HE1 TYR A 99 36.425 -6.560 3.841 1.00 0.59 H new ATOM 0 HE2 TYR A 99 32.943 -6.213 1.411 1.00 0.62 H new ATOM 0 HH TYR A 99 34.529 -5.012 4.157 1.00 0.75 H new ATOM 1579 N GLY A 100 37.575 -12.341 -0.482 1.00 0.60 N ATOM 1580 CA GLY A 100 37.619 -13.674 -1.055 1.00 0.71 C ATOM 1581 C GLY A 100 38.984 -14.019 -1.605 1.00 0.67 C ATOM 1582 O GLY A 100 39.858 -13.158 -1.685 1.00 0.67 O ATOM 0 H GLY A 100 38.109 -11.639 -0.993 1.00 0.60 H new ATOM 0 HA2 GLY A 100 37.342 -14.403 -0.294 1.00 0.71 H new ATOM 0 HA3 GLY A 100 36.879 -13.749 -1.852 1.00 0.71 H new ATOM 1586 N TYR A 101 39.168 -15.280 -1.988 1.00 0.76 N ATOM 1587 CA TYR A 101 40.442 -15.733 -2.537 1.00 0.86 C ATOM 1588 C TYR A 101 40.615 -15.240 -3.968 1.00 0.93 C ATOM 1589 O TYR A 101 41.585 -14.551 -4.283 1.00 1.52 O ATOM 1590 CB TYR A 101 40.543 -17.264 -2.505 1.00 1.01 C ATOM 1591 CG TYR A 101 40.610 -17.855 -1.116 1.00 0.86 C ATOM 1592 CD1 TYR A 101 41.796 -17.837 -0.392 1.00 1.09 C ATOM 1593 CD2 TYR A 101 39.492 -18.433 -0.529 1.00 0.75 C ATOM 1594 CE1 TYR A 101 41.865 -18.376 0.874 1.00 1.14 C ATOM 1595 CE2 TYR A 101 39.555 -18.975 0.741 1.00 0.74 C ATOM 1596 CZ TYR A 101 40.745 -18.943 1.439 1.00 0.92 C ATOM 1597 OH TYR A 101 40.819 -19.478 2.703 1.00 1.09 O ATOM 0 H TYR A 101 38.452 -16.004 -1.928 1.00 0.76 H new ATOM 0 HA TYR A 101 41.236 -15.317 -1.916 1.00 0.86 H new ATOM 0 HB2 TYR A 101 39.682 -17.684 -3.024 1.00 1.01 H new ATOM 0 HB3 TYR A 101 41.430 -17.569 -3.060 1.00 1.01 H new ATOM 0 HD1 TYR A 101 42.678 -17.393 -0.829 1.00 1.09 H new ATOM 0 HD2 TYR A 101 38.559 -18.459 -1.073 1.00 0.75 H new ATOM 0 HE1 TYR A 101 42.795 -18.354 1.422 1.00 1.14 H new ATOM 0 HE2 TYR A 101 38.677 -19.421 1.185 1.00 0.74 H new ATOM 0 HH TYR A 101 40.409 -20.368 2.706 1.00 1.09 H new ATOM 1681 N SER A 109 32.612 -19.290 -8.777 1.00 0.97 N ATOM 1682 CA SER A 109 32.061 -19.028 -10.100 1.00 0.88 C ATOM 1683 C SER A 109 32.913 -18.024 -10.882 1.00 0.77 C ATOM 1684 O SER A 109 33.655 -18.412 -11.782 1.00 0.85 O ATOM 1685 CB SER A 109 30.621 -18.529 -9.972 1.00 0.92 C ATOM 1686 OG SER A 109 29.824 -19.459 -9.258 1.00 1.52 O ATOM 0 HA SER A 109 32.069 -19.963 -10.661 1.00 0.88 H new ATOM 0 HB2 SER A 109 30.610 -17.567 -9.461 1.00 0.92 H new ATOM 0 HB3 SER A 109 30.198 -18.368 -10.964 1.00 0.92 H new ATOM 0 HG SER A 109 30.361 -19.876 -8.552 1.00 1.52 H new ATOM 1692 N ILE A 110 32.837 -16.743 -10.516 1.00 0.68 N ATOM 1693 CA ILE A 110 33.594 -15.705 -11.222 1.00 0.65 C ATOM 1694 C ILE A 110 34.115 -14.618 -10.268 1.00 0.63 C ATOM 1695 O ILE A 110 33.765 -13.445 -10.409 1.00 0.75 O ATOM 1696 CB ILE A 110 32.778 -15.015 -12.362 1.00 0.64 C ATOM 1697 CG1 ILE A 110 31.403 -14.516 -11.870 1.00 0.66 C ATOM 1698 CG2 ILE A 110 32.617 -15.940 -13.563 1.00 0.72 C ATOM 1699 CD1 ILE A 110 30.328 -15.584 -11.790 1.00 0.74 C ATOM 0 H ILE A 110 32.266 -16.401 -9.743 1.00 0.68 H new ATOM 0 HA ILE A 110 34.435 -16.235 -11.670 1.00 0.65 H new ATOM 0 HB ILE A 110 33.349 -14.142 -12.676 1.00 0.64 H new ATOM 0 HG12 ILE A 110 31.526 -14.070 -10.883 1.00 0.66 H new ATOM 0 HG13 ILE A 110 31.060 -13.725 -12.537 1.00 0.66 H new ATOM 0 HG21 ILE A 110 32.045 -15.432 -14.339 1.00 0.72 H new ATOM 0 HG22 ILE A 110 33.600 -16.206 -13.952 1.00 0.72 H new ATOM 0 HG23 ILE A 110 32.091 -16.844 -13.258 1.00 0.72 H new ATOM 0 HD11 ILE A 110 29.399 -15.139 -11.435 1.00 0.74 H new ATOM 0 HD12 ILE A 110 30.169 -16.015 -12.778 1.00 0.74 H new ATOM 0 HD13 ILE A 110 30.643 -16.366 -11.099 1.00 0.74 H new ATOM 1711 N PRO A 111 34.956 -14.982 -9.285 1.00 0.70 N ATOM 1712 CA PRO A 111 35.579 -14.029 -8.386 1.00 0.78 C ATOM 1713 C PRO A 111 36.983 -13.641 -8.847 1.00 0.79 C ATOM 1714 O PRO A 111 37.960 -14.335 -8.562 1.00 1.58 O ATOM 1715 CB PRO A 111 35.630 -14.803 -7.065 1.00 1.10 C ATOM 1716 CG PRO A 111 35.543 -16.260 -7.435 1.00 1.22 C ATOM 1717 CD PRO A 111 35.359 -16.342 -8.934 1.00 0.89 C ATOM 0 HA PRO A 111 35.036 -13.086 -8.325 1.00 0.78 H new ATOM 0 HB2 PRO A 111 36.553 -14.592 -6.524 1.00 1.10 H new ATOM 0 HB3 PRO A 111 34.805 -14.516 -6.412 1.00 1.10 H new ATOM 0 HG2 PRO A 111 36.448 -16.787 -7.131 1.00 1.22 H new ATOM 0 HG3 PRO A 111 34.709 -16.736 -6.920 1.00 1.22 H new ATOM 0 HD2 PRO A 111 36.280 -16.634 -9.439 1.00 0.89 H new ATOM 0 HD3 PRO A 111 34.599 -17.073 -9.209 1.00 0.89 H new ATOM 1725 N GLY A 112 37.072 -12.553 -9.592 1.00 0.95 N ATOM 1726 CA GLY A 112 38.352 -12.099 -10.092 1.00 1.02 C ATOM 1727 C GLY A 112 38.399 -10.592 -10.190 1.00 1.09 C ATOM 1728 O GLY A 112 38.164 -10.034 -11.263 1.00 2.05 O ATOM 0 H GLY A 112 36.277 -11.973 -9.861 1.00 0.95 H new ATOM 0 HA2 GLY A 112 39.147 -12.448 -9.433 1.00 1.02 H new ATOM 0 HA3 GLY A 112 38.537 -12.536 -11.073 1.00 1.02 H new ATOM 1732 N ASN A 113 38.684 -9.936 -9.060 1.00 0.74 N ATOM 1733 CA ASN A 113 38.657 -8.472 -8.972 1.00 0.84 C ATOM 1734 C ASN A 113 37.244 -7.975 -9.230 1.00 0.75 C ATOM 1735 O ASN A 113 37.015 -6.817 -9.581 1.00 1.00 O ATOM 1736 CB ASN A 113 39.648 -7.838 -9.959 1.00 1.00 C ATOM 1737 CG ASN A 113 41.088 -8.201 -9.640 1.00 1.49 C ATOM 1738 OD1 ASN A 113 41.580 -9.244 -10.059 1.00 2.03 O ATOM 1739 ND2 ASN A 113 41.777 -7.343 -8.903 1.00 1.79 N ATOM 0 H ASN A 113 38.938 -10.400 -8.188 1.00 0.74 H new ATOM 0 HA ASN A 113 38.963 -8.175 -7.969 1.00 0.84 H new ATOM 0 HB2 ASN A 113 39.409 -8.164 -10.971 1.00 1.00 H new ATOM 0 HB3 ASN A 113 39.535 -6.754 -9.938 1.00 1.00 H new ATOM 0 HD21 ASN A 113 42.750 -7.540 -8.667 1.00 1.79 H new ATOM 0 HD22 ASN A 113 41.335 -6.485 -8.572 1.00 1.79 H new ATOM 1746 N SER A 114 36.296 -8.873 -9.025 1.00 0.57 N ATOM 1747 CA SER A 114 34.902 -8.598 -9.263 1.00 0.58 C ATOM 1748 C SER A 114 34.106 -8.734 -7.971 1.00 0.50 C ATOM 1749 O SER A 114 34.265 -9.708 -7.238 1.00 0.59 O ATOM 1750 CB SER A 114 34.380 -9.563 -10.325 1.00 0.65 C ATOM 1751 OG SER A 114 34.819 -10.889 -10.060 1.00 1.14 O ATOM 0 H SER A 114 36.480 -9.817 -8.687 1.00 0.57 H new ATOM 0 HA SER A 114 34.786 -7.574 -9.619 1.00 0.58 H new ATOM 0 HB2 SER A 114 33.291 -9.533 -10.346 1.00 0.65 H new ATOM 0 HB3 SER A 114 34.727 -9.250 -11.310 1.00 0.65 H new ATOM 0 HG SER A 114 34.134 -11.525 -10.354 1.00 1.14 H new ATOM 1757 N VAL A 115 33.275 -7.745 -7.682 1.00 0.44 N ATOM 1758 CA VAL A 115 32.412 -7.805 -6.512 1.00 0.38 C ATOM 1759 C VAL A 115 31.106 -8.524 -6.849 1.00 0.31 C ATOM 1760 O VAL A 115 30.515 -8.299 -7.909 1.00 0.31 O ATOM 1761 CB VAL A 115 32.119 -6.393 -5.948 1.00 0.44 C ATOM 1762 CG1 VAL A 115 31.485 -5.497 -7.002 1.00 0.48 C ATOM 1763 CG2 VAL A 115 31.236 -6.472 -4.710 1.00 0.42 C ATOM 0 H VAL A 115 33.180 -6.895 -8.238 1.00 0.44 H new ATOM 0 HA VAL A 115 32.938 -8.368 -5.741 1.00 0.38 H new ATOM 0 HB VAL A 115 33.072 -5.950 -5.660 1.00 0.44 H new ATOM 0 HG11 VAL A 115 31.292 -4.513 -6.575 1.00 0.48 H new ATOM 0 HG12 VAL A 115 32.162 -5.398 -7.850 1.00 0.48 H new ATOM 0 HG13 VAL A 115 30.546 -5.938 -7.337 1.00 0.48 H new ATOM 0 HG21 VAL A 115 31.046 -5.467 -4.334 1.00 0.42 H new ATOM 0 HG22 VAL A 115 30.290 -6.948 -4.968 1.00 0.42 H new ATOM 0 HG23 VAL A 115 31.739 -7.058 -3.941 1.00 0.42 H new ATOM 1773 N LEU A 116 30.677 -9.416 -5.968 1.00 0.28 N ATOM 1774 CA LEU A 116 29.440 -10.151 -6.186 1.00 0.25 C ATOM 1775 C LEU A 116 28.478 -9.943 -5.027 1.00 0.28 C ATOM 1776 O LEU A 116 28.858 -9.421 -3.980 1.00 0.37 O ATOM 1777 CB LEU A 116 29.694 -11.658 -6.351 1.00 0.30 C ATOM 1778 CG LEU A 116 30.620 -12.078 -7.493 1.00 0.33 C ATOM 1779 CD1 LEU A 116 32.078 -11.986 -7.076 1.00 0.51 C ATOM 1780 CD2 LEU A 116 30.290 -13.489 -7.947 1.00 0.50 C ATOM 0 H LEU A 116 31.163 -9.647 -5.102 1.00 0.28 H new ATOM 0 HA LEU A 116 29.003 -9.764 -7.106 1.00 0.25 H new ATOM 0 HB2 LEU A 116 30.111 -12.037 -5.418 1.00 0.30 H new ATOM 0 HB3 LEU A 116 28.733 -12.151 -6.494 1.00 0.30 H new ATOM 0 HG LEU A 116 30.462 -11.393 -8.326 1.00 0.33 H new ATOM 0 HD11 LEU A 116 32.714 -12.290 -7.907 1.00 0.51 H new ATOM 0 HD12 LEU A 116 32.312 -10.959 -6.797 1.00 0.51 H new ATOM 0 HD13 LEU A 116 32.255 -12.643 -6.224 1.00 0.51 H new ATOM 0 HD21 LEU A 116 30.957 -13.775 -8.760 1.00 0.50 H new ATOM 0 HD22 LEU A 116 30.418 -14.179 -7.113 1.00 0.50 H new ATOM 0 HD23 LEU A 116 29.257 -13.527 -8.294 1.00 0.50 H new ATOM 1792 N LEU A 117 27.236 -10.363 -5.223 1.00 0.31 N ATOM 1793 CA LEU A 117 26.231 -10.307 -4.174 1.00 0.38 C ATOM 1794 C LEU A 117 25.689 -11.708 -3.930 1.00 0.31 C ATOM 1795 O LEU A 117 25.034 -12.287 -4.799 1.00 0.38 O ATOM 1796 CB LEU A 117 25.076 -9.367 -4.545 1.00 0.61 C ATOM 1797 CG LEU A 117 25.420 -8.230 -5.508 1.00 0.38 C ATOM 1798 CD1 LEU A 117 25.267 -8.690 -6.947 1.00 0.70 C ATOM 1799 CD2 LEU A 117 24.542 -7.023 -5.241 1.00 0.59 C ATOM 0 H LEU A 117 26.900 -10.749 -6.106 1.00 0.31 H new ATOM 0 HA LEU A 117 26.701 -9.917 -3.271 1.00 0.38 H new ATOM 0 HB2 LEU A 117 24.277 -9.962 -4.988 1.00 0.61 H new ATOM 0 HB3 LEU A 117 24.679 -8.932 -3.628 1.00 0.61 H new ATOM 0 HG LEU A 117 26.459 -7.943 -5.345 1.00 0.38 H new ATOM 0 HD11 LEU A 117 25.515 -7.869 -7.620 1.00 0.70 H new ATOM 0 HD12 LEU A 117 25.938 -9.528 -7.134 1.00 0.70 H new ATOM 0 HD13 LEU A 117 24.238 -9.003 -7.121 1.00 0.70 H new ATOM 0 HD21 LEU A 117 24.801 -6.224 -5.936 1.00 0.59 H new ATOM 0 HD22 LEU A 117 23.496 -7.297 -5.377 1.00 0.59 H new ATOM 0 HD23 LEU A 117 24.697 -6.679 -4.218 1.00 0.59 H new ATOM 1811 N PHE A 118 25.986 -12.263 -2.768 1.00 0.30 N ATOM 1812 CA PHE A 118 25.519 -13.596 -2.434 1.00 0.34 C ATOM 1813 C PHE A 118 24.358 -13.539 -1.453 1.00 0.34 C ATOM 1814 O PHE A 118 24.430 -12.865 -0.424 1.00 0.37 O ATOM 1815 CB PHE A 118 26.650 -14.443 -1.846 1.00 0.43 C ATOM 1816 CG PHE A 118 27.739 -14.762 -2.829 1.00 0.37 C ATOM 1817 CD1 PHE A 118 27.450 -15.435 -4.002 1.00 0.39 C ATOM 1818 CD2 PHE A 118 29.048 -14.397 -2.576 1.00 0.38 C ATOM 1819 CE1 PHE A 118 28.447 -15.739 -4.904 1.00 0.38 C ATOM 1820 CE2 PHE A 118 30.054 -14.696 -3.477 1.00 0.40 C ATOM 1821 CZ PHE A 118 29.752 -15.369 -4.642 1.00 0.38 C ATOM 0 H PHE A 118 26.546 -11.814 -2.043 1.00 0.30 H new ATOM 0 HA PHE A 118 25.175 -14.061 -3.358 1.00 0.34 H new ATOM 0 HB2 PHE A 118 27.083 -13.915 -0.996 1.00 0.43 H new ATOM 0 HB3 PHE A 118 26.233 -15.375 -1.464 1.00 0.43 H new ATOM 0 HD1 PHE A 118 26.432 -15.726 -4.214 1.00 0.39 H new ATOM 0 HD2 PHE A 118 29.288 -13.872 -1.663 1.00 0.38 H new ATOM 0 HE1 PHE A 118 28.208 -16.266 -5.816 1.00 0.38 H new ATOM 0 HE2 PHE A 118 31.073 -14.403 -3.269 1.00 0.40 H new ATOM 0 HZ PHE A 118 30.534 -15.606 -5.348 1.00 0.38 H new ATOM 1831 N GLU A 119 23.282 -14.225 -1.804 1.00 0.33 N ATOM 1832 CA GLU A 119 22.169 -14.428 -0.902 1.00 0.37 C ATOM 1833 C GLU A 119 22.559 -15.480 0.121 1.00 0.34 C ATOM 1834 O GLU A 119 22.743 -16.650 -0.230 1.00 0.47 O ATOM 1835 CB GLU A 119 20.931 -14.917 -1.664 1.00 0.56 C ATOM 1836 CG GLU A 119 20.423 -13.968 -2.745 1.00 0.82 C ATOM 1837 CD GLU A 119 19.170 -14.487 -3.434 1.00 1.18 C ATOM 1838 OE1 GLU A 119 18.054 -14.186 -2.967 1.00 1.46 O ATOM 1839 OE2 GLU A 119 19.297 -15.198 -4.455 1.00 1.43 O ATOM 0 H GLU A 119 23.159 -14.654 -2.721 1.00 0.33 H new ATOM 0 HA GLU A 119 21.931 -13.481 -0.417 1.00 0.37 H new ATOM 0 HB2 GLU A 119 21.162 -15.878 -2.124 1.00 0.56 H new ATOM 0 HB3 GLU A 119 20.128 -15.092 -0.948 1.00 0.56 H new ATOM 0 HG2 GLU A 119 20.213 -12.995 -2.300 1.00 0.82 H new ATOM 0 HG3 GLU A 119 21.206 -13.816 -3.488 1.00 0.82 H new ATOM 1846 N ILE A 120 22.703 -15.079 1.370 1.00 0.29 N ATOM 1847 CA ILE A 120 23.054 -16.022 2.416 1.00 0.31 C ATOM 1848 C ILE A 120 21.844 -16.315 3.288 1.00 0.31 C ATOM 1849 O ILE A 120 21.243 -15.406 3.871 1.00 0.33 O ATOM 1850 CB ILE A 120 24.221 -15.524 3.300 1.00 0.34 C ATOM 1851 CG1 ILE A 120 25.533 -15.521 2.501 1.00 0.33 C ATOM 1852 CG2 ILE A 120 24.349 -16.388 4.554 1.00 0.48 C ATOM 1853 CD1 ILE A 120 26.756 -15.184 3.334 1.00 0.39 C ATOM 0 H ILE A 120 22.584 -14.116 1.684 1.00 0.29 H new ATOM 0 HA ILE A 120 23.385 -16.934 1.919 1.00 0.31 H new ATOM 0 HB ILE A 120 24.009 -14.502 3.613 1.00 0.34 H new ATOM 0 HG12 ILE A 120 25.673 -16.502 2.047 1.00 0.33 H new ATOM 0 HG13 ILE A 120 25.450 -14.801 1.687 1.00 0.33 H new ATOM 0 HG21 ILE A 120 25.175 -16.023 5.164 1.00 0.48 H new ATOM 0 HG22 ILE A 120 23.424 -16.336 5.128 1.00 0.48 H new ATOM 0 HG23 ILE A 120 24.540 -17.422 4.266 1.00 0.48 H new ATOM 0 HD11 ILE A 120 27.643 -15.202 2.701 1.00 0.39 H new ATOM 0 HD12 ILE A 120 26.639 -14.191 3.767 1.00 0.39 H new ATOM 0 HD13 ILE A 120 26.866 -15.917 4.133 1.00 0.39 H new ATOM 1865 N GLU A 121 21.476 -17.584 3.337 1.00 0.36 N ATOM 1866 CA GLU A 121 20.370 -18.043 4.155 1.00 0.40 C ATOM 1867 C GLU A 121 20.817 -19.244 4.977 1.00 0.35 C ATOM 1868 O GLU A 121 21.468 -20.157 4.457 1.00 0.40 O ATOM 1869 CB GLU A 121 19.183 -18.404 3.260 1.00 0.60 C ATOM 1870 CG GLU A 121 17.920 -18.765 4.020 1.00 1.06 C ATOM 1871 CD GLU A 121 16.726 -18.912 3.106 1.00 1.43 C ATOM 1872 OE1 GLU A 121 16.604 -19.970 2.449 1.00 1.67 O ATOM 1873 OE2 GLU A 121 15.909 -17.972 3.036 1.00 1.88 O ATOM 0 H GLU A 121 21.937 -18.325 2.809 1.00 0.36 H new ATOM 0 HA GLU A 121 20.057 -17.251 4.836 1.00 0.40 H new ATOM 0 HB2 GLU A 121 18.969 -17.562 2.601 1.00 0.60 H new ATOM 0 HB3 GLU A 121 19.464 -19.243 2.624 1.00 0.60 H new ATOM 0 HG2 GLU A 121 18.078 -19.698 4.561 1.00 1.06 H new ATOM 0 HG3 GLU A 121 17.713 -17.996 4.764 1.00 1.06 H new ATOM 1880 N LEU A 122 20.495 -19.227 6.260 1.00 0.33 N ATOM 1881 CA LEU A 122 20.919 -20.274 7.175 1.00 0.33 C ATOM 1882 C LEU A 122 19.852 -21.362 7.246 1.00 0.38 C ATOM 1883 O LEU A 122 18.662 -21.073 7.324 1.00 0.54 O ATOM 1884 CB LEU A 122 21.198 -19.662 8.560 1.00 0.38 C ATOM 1885 CG LEU A 122 21.938 -20.552 9.566 1.00 0.43 C ATOM 1886 CD1 LEU A 122 22.622 -19.687 10.611 1.00 0.80 C ATOM 1887 CD2 LEU A 122 20.987 -21.528 10.242 1.00 1.12 C ATOM 0 H LEU A 122 19.936 -18.492 6.694 1.00 0.33 H new ATOM 0 HA LEU A 122 21.839 -20.734 6.815 1.00 0.33 H new ATOM 0 HB2 LEU A 122 21.779 -18.751 8.419 1.00 0.38 H new ATOM 0 HB3 LEU A 122 20.246 -19.368 9.001 1.00 0.38 H new ATOM 0 HG LEU A 122 22.686 -21.130 9.024 1.00 0.43 H new ATOM 0 HD11 LEU A 122 23.146 -20.324 11.324 1.00 0.80 H new ATOM 0 HD12 LEU A 122 23.336 -19.023 10.123 1.00 0.80 H new ATOM 0 HD13 LEU A 122 21.875 -19.093 11.137 1.00 0.80 H new ATOM 0 HD21 LEU A 122 21.541 -22.145 10.949 1.00 1.12 H new ATOM 0 HD22 LEU A 122 20.213 -20.973 10.773 1.00 1.12 H new ATOM 0 HD23 LEU A 122 20.524 -22.166 9.489 1.00 1.12 H new ATOM 1899 N LEU A 123 20.277 -22.621 7.197 1.00 0.39 N ATOM 1900 CA LEU A 123 19.330 -23.729 7.261 1.00 0.47 C ATOM 1901 C LEU A 123 19.577 -24.624 8.473 1.00 0.47 C ATOM 1902 O LEU A 123 18.640 -25.216 9.007 1.00 0.59 O ATOM 1903 CB LEU A 123 19.355 -24.573 5.977 1.00 0.55 C ATOM 1904 CG LEU A 123 20.720 -25.132 5.556 1.00 0.58 C ATOM 1905 CD1 LEU A 123 20.546 -26.464 4.838 1.00 1.00 C ATOM 1906 CD2 LEU A 123 21.443 -24.148 4.649 1.00 0.77 C ATOM 0 H LEU A 123 21.255 -22.897 7.114 1.00 0.39 H new ATOM 0 HA LEU A 123 18.342 -23.280 7.363 1.00 0.47 H new ATOM 0 HB2 LEU A 123 18.668 -25.409 6.104 1.00 0.55 H new ATOM 0 HB3 LEU A 123 18.968 -23.964 5.160 1.00 0.55 H new ATOM 0 HG LEU A 123 21.318 -25.287 6.454 1.00 0.58 H new ATOM 0 HD11 LEU A 123 21.522 -26.850 4.545 1.00 1.00 H new ATOM 0 HD12 LEU A 123 20.060 -27.176 5.505 1.00 1.00 H new ATOM 0 HD13 LEU A 123 19.931 -26.321 3.950 1.00 1.00 H new ATOM 0 HD21 LEU A 123 22.409 -24.562 4.360 1.00 0.77 H new ATOM 0 HD22 LEU A 123 20.844 -23.968 3.756 1.00 0.77 H new ATOM 0 HD23 LEU A 123 21.594 -23.208 5.179 1.00 0.77 H new ATOM 1918 N SER A 124 20.827 -24.744 8.906 1.00 0.44 N ATOM 1919 CA SER A 124 21.148 -25.616 10.032 1.00 0.47 C ATOM 1920 C SER A 124 22.352 -25.099 10.810 1.00 0.43 C ATOM 1921 O SER A 124 23.321 -24.624 10.223 1.00 0.48 O ATOM 1922 CB SER A 124 21.423 -27.034 9.530 1.00 0.63 C ATOM 1923 OG SER A 124 20.326 -27.528 8.776 1.00 1.19 O ATOM 0 H SER A 124 21.626 -24.256 8.501 1.00 0.44 H new ATOM 0 HA SER A 124 20.291 -25.627 10.705 1.00 0.47 H new ATOM 0 HB2 SER A 124 22.323 -27.038 8.915 1.00 0.63 H new ATOM 0 HB3 SER A 124 21.613 -27.693 10.377 1.00 0.63 H new ATOM 0 HG SER A 124 20.525 -28.435 8.464 1.00 1.19 H new ATOM 1929 N PHE A 125 22.271 -25.189 12.133 1.00 0.39 N ATOM 1930 CA PHE A 125 23.368 -24.805 13.011 1.00 0.43 C ATOM 1931 C PHE A 125 23.075 -25.312 14.418 1.00 0.46 C ATOM 1932 O PHE A 125 21.972 -25.789 14.683 1.00 0.46 O ATOM 1933 CB PHE A 125 23.548 -23.280 13.033 1.00 0.46 C ATOM 1934 CG PHE A 125 22.561 -22.559 13.907 1.00 0.46 C ATOM 1935 CD1 PHE A 125 21.206 -22.587 13.623 1.00 0.44 C ATOM 1936 CD2 PHE A 125 22.995 -21.854 15.017 1.00 0.62 C ATOM 1937 CE1 PHE A 125 20.304 -21.926 14.433 1.00 0.54 C ATOM 1938 CE2 PHE A 125 22.098 -21.192 15.829 1.00 0.72 C ATOM 1939 CZ PHE A 125 20.751 -21.228 15.535 1.00 0.67 C ATOM 0 H PHE A 125 21.445 -25.529 12.625 1.00 0.39 H new ATOM 0 HA PHE A 125 24.292 -25.247 12.638 1.00 0.43 H new ATOM 0 HB2 PHE A 125 24.557 -23.049 13.375 1.00 0.46 H new ATOM 0 HB3 PHE A 125 23.461 -22.900 12.015 1.00 0.46 H new ATOM 0 HD1 PHE A 125 20.851 -23.131 12.760 1.00 0.44 H new ATOM 0 HD2 PHE A 125 24.049 -21.822 15.250 1.00 0.62 H new ATOM 0 HE1 PHE A 125 19.249 -21.956 14.204 1.00 0.54 H new ATOM 0 HE2 PHE A 125 22.449 -20.647 16.693 1.00 0.72 H new ATOM 0 HZ PHE A 125 20.046 -20.709 16.168 1.00 0.67 H new ATOM 1949 N ARG A 126 24.050 -25.206 15.311 1.00 0.60 N ATOM 1950 CA ARG A 126 23.866 -25.615 16.701 1.00 0.71 C ATOM 1951 C ARG A 126 24.935 -25.004 17.595 1.00 0.76 C ATOM 1952 O ARG A 126 26.035 -24.687 17.135 1.00 0.90 O ATOM 1953 CB ARG A 126 23.890 -27.139 16.824 1.00 0.83 C ATOM 1954 CG ARG A 126 24.987 -27.803 16.007 1.00 0.85 C ATOM 1955 CD ARG A 126 25.019 -29.306 16.233 1.00 1.12 C ATOM 1956 NE ARG A 126 23.682 -29.896 16.182 1.00 1.57 N ATOM 1957 CZ ARG A 126 23.411 -31.098 15.680 1.00 2.14 C ATOM 1958 NH1 ARG A 126 24.381 -31.846 15.162 1.00 2.47 N ATOM 1959 NH2 ARG A 126 22.164 -31.550 15.703 1.00 2.98 N ATOM 0 H ARG A 126 24.978 -24.840 15.099 1.00 0.60 H new ATOM 0 HA ARG A 126 22.892 -25.251 17.028 1.00 0.71 H new ATOM 0 HB2 ARG A 126 24.018 -27.408 17.873 1.00 0.83 H new ATOM 0 HB3 ARG A 126 22.925 -27.535 16.509 1.00 0.83 H new ATOM 0 HG2 ARG A 126 24.829 -27.597 14.948 1.00 0.85 H new ATOM 0 HG3 ARG A 126 25.952 -27.373 16.275 1.00 0.85 H new ATOM 0 HD2 ARG A 126 25.650 -29.773 15.477 1.00 1.12 H new ATOM 0 HD3 ARG A 126 25.472 -29.517 17.202 1.00 1.12 H new ATOM 0 HE ARG A 126 22.906 -29.350 16.556 1.00 1.57 H new ATOM 0 HH11 ARG A 126 25.340 -31.499 15.148 1.00 2.47 H new ATOM 0 HH12 ARG A 126 24.166 -32.767 14.779 1.00 2.47 H new ATOM 0 HH21 ARG A 126 21.421 -30.977 16.104 1.00 2.98 H new ATOM 0 HH22 ARG A 126 21.948 -32.470 15.320 1.00 2.98 H new ATOM 1973 N GLU A 127 24.602 -24.830 18.869 1.00 0.82 N ATOM 1974 CA GLU A 127 25.553 -24.324 19.850 1.00 0.88 C ATOM 1975 C GLU A 127 25.447 -25.117 21.151 1.00 1.01 C ATOM 1976 O GLU A 127 24.380 -25.632 21.494 1.00 1.11 O ATOM 1977 CB GLU A 127 25.334 -22.831 20.122 1.00 1.10 C ATOM 1978 CG GLU A 127 23.959 -22.491 20.680 1.00 1.68 C ATOM 1979 CD GLU A 127 23.884 -21.069 21.194 1.00 2.69 C ATOM 1980 OE1 GLU A 127 23.553 -20.164 20.404 1.00 3.38 O ATOM 1981 OE2 GLU A 127 24.172 -20.848 22.392 1.00 3.18 O ATOM 0 H GLU A 127 23.677 -25.033 19.247 1.00 0.82 H new ATOM 0 HA GLU A 127 26.554 -24.448 19.438 1.00 0.88 H new ATOM 0 HB2 GLU A 127 26.093 -22.486 20.824 1.00 1.10 H new ATOM 0 HB3 GLU A 127 25.483 -22.279 19.194 1.00 1.10 H new ATOM 0 HG2 GLU A 127 23.208 -22.634 19.903 1.00 1.68 H new ATOM 0 HG3 GLU A 127 23.717 -23.181 21.489 1.00 1.68 H new