USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 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 67 GLN : amide:sc= 0 X(o=1.3,f=1.1) USER MOD Set 1.2: A 70 SER OG : rot 169:sc= 1.28 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 ASN : amide:sc= -0.764 X(o=-0.76,f=-0.84) USER MOD Set 3.1: A 58 SER OG : rot -43:sc= 0.741 USER MOD Set 3.2: A 61 MET CE :methyl -118:sc= -0.27 (180deg=-1.25) USER MOD Set 4.1: A 12 THR OG1 : rot 119:sc= 0.661 USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= 0.628 USER MOD Single : A 6 MET CE :methyl -130:sc= -0.857 (180deg=-5.72!) USER MOD Single : A 7 GLN : amide:sc= -0.965 K(o=-0.97,f=-5.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 140:sc= -0.414 (180deg=-2.14!) USER MOD Single : A 17 THR OG1 : rot 29:sc= 0.588 USER MOD Single : A 19 THR OG1 : rot -88:sc= 1.1 USER MOD Single : A 24 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-0.95) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.064 USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= -0.0158 (180deg=-0.323) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.53 (180deg=-0.923) USER MOD Single : A 45 GLN : amide:sc= -2.04 K(o=-2,f=-2.6) USER MOD Single : A 46 GLN : amide:sc= -4.85! C(o=-4.8!,f=-11!) USER MOD Single : A 54 GLN : amide:sc= -0.977 K(o=-0.98,f=-2.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.932 K(o=-0.93,f=-5.7!) USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= -0.2 (180deg=-0.786) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0285 USER MOD Single : A 73 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 59 N MET A 6 -6.960 7.159 -10.722 1.00 60.51 N ATOM 60 CA MET A 6 -7.861 8.283 -10.495 1.00 64.22 C ATOM 61 C MET A 6 -9.212 8.040 -11.160 1.00 21.32 C ATOM 62 O MET A 6 -9.430 6.998 -11.778 1.00 52.44 O ATOM 63 CB MET A 6 -7.242 9.576 -11.030 1.00 24.33 C ATOM 64 CG MET A 6 -7.021 9.567 -12.534 1.00 2.44 C ATOM 65 SD MET A 6 -5.275 9.506 -12.979 1.00 24.10 S ATOM 66 CE MET A 6 -4.662 10.969 -12.148 1.00 4.31 C ATOM 0 HA MET A 6 -8.017 8.380 -9.421 1.00 64.22 H new ATOM 0 HB2 MET A 6 -7.890 10.414 -10.771 1.00 24.33 H new ATOM 0 HB3 MET A 6 -6.287 9.746 -10.532 1.00 24.33 H new ATOM 0 HG2 MET A 6 -7.533 8.708 -12.967 1.00 2.44 H new ATOM 0 HG3 MET A 6 -7.472 10.459 -12.969 1.00 2.44 H new ATOM 0 HE1 MET A 6 -4.079 11.567 -12.848 1.00 4.31 H new ATOM 0 HE2 MET A 6 -5.502 11.557 -11.780 1.00 4.31 H new ATOM 0 HE3 MET A 6 -4.031 10.674 -11.310 1.00 4.31 H new ATOM 76 N GLN A 7 -10.114 9.006 -11.027 1.00 12.50 N ATOM 77 CA GLN A 7 -11.444 8.895 -11.614 1.00 52.43 C ATOM 78 C GLN A 7 -11.877 10.219 -12.236 1.00 50.10 C ATOM 79 O GLN A 7 -11.384 11.283 -11.860 1.00 34.04 O ATOM 80 CB GLN A 7 -12.458 8.460 -10.555 1.00 0.33 C ATOM 81 CG GLN A 7 -11.949 7.355 -9.644 1.00 33.23 C ATOM 82 CD GLN A 7 -11.424 7.882 -8.323 1.00 51.30 C ATOM 83 OE1 GLN A 7 -11.306 9.092 -8.128 1.00 2.25 O ATOM 84 NE2 GLN A 7 -11.106 6.975 -7.407 1.00 61.23 N ATOM 0 H GLN A 7 -9.948 9.874 -10.518 1.00 12.50 H new ATOM 0 HA GLN A 7 -11.404 8.141 -12.400 1.00 52.43 H new ATOM 0 HB2 GLN A 7 -12.730 9.323 -9.948 1.00 0.33 H new ATOM 0 HB3 GLN A 7 -13.367 8.120 -11.052 1.00 0.33 H new ATOM 0 HG2 GLN A 7 -12.755 6.647 -9.453 1.00 33.23 H new ATOM 0 HG3 GLN A 7 -11.156 6.806 -10.153 1.00 33.23 H new ATOM 0 HE21 GLN A 7 -11.220 5.982 -7.611 1.00 61.23 H new ATOM 0 HE22 GLN A 7 -10.748 7.271 -6.499 1.00 61.23 H new ATOM 93 N ILE A 8 -12.800 10.146 -13.189 1.00 61.41 N ATOM 94 CA ILE A 8 -13.299 11.338 -13.862 1.00 40.40 C ATOM 95 C ILE A 8 -14.823 11.380 -13.848 1.00 12.55 C ATOM 96 O ILE A 8 -15.481 10.360 -13.644 1.00 13.12 O ATOM 97 CB ILE A 8 -12.809 11.409 -15.320 1.00 65.12 C ATOM 98 CG1 ILE A 8 -11.931 10.198 -15.645 1.00 41.42 C ATOM 99 CG2 ILE A 8 -12.045 12.703 -15.560 1.00 75.04 C ATOM 100 CD1 ILE A 8 -11.571 10.089 -17.110 1.00 42.03 C ATOM 0 H ILE A 8 -13.217 9.273 -13.512 1.00 61.41 H new ATOM 0 HA ILE A 8 -12.909 12.196 -13.314 1.00 40.40 H new ATOM 0 HB ILE A 8 -13.676 11.394 -15.980 1.00 65.12 H new ATOM 0 HG12 ILE A 8 -11.015 10.255 -15.057 1.00 41.42 H new ATOM 0 HG13 ILE A 8 -12.450 9.290 -15.338 1.00 41.42 H new ATOM 0 HG21 ILE A 8 -11.705 12.738 -16.595 1.00 75.04 H new ATOM 0 HG22 ILE A 8 -12.698 13.553 -15.363 1.00 75.04 H new ATOM 0 HG23 ILE A 8 -11.183 12.746 -14.894 1.00 75.04 H new ATOM 0 HD11 ILE A 8 -10.948 9.208 -17.267 1.00 42.03 H new ATOM 0 HD12 ILE A 8 -12.481 10.000 -17.703 1.00 42.03 H new ATOM 0 HD13 ILE A 8 -11.024 10.980 -17.417 1.00 42.03 H new ATOM 112 N PHE A 9 -15.379 12.568 -14.067 1.00 21.52 N ATOM 113 CA PHE A 9 -16.827 12.743 -14.080 1.00 5.30 C ATOM 114 C PHE A 9 -17.308 13.191 -15.457 1.00 64.53 C ATOM 115 O PHE A 9 -16.828 14.185 -16.002 1.00 62.34 O ATOM 116 CB PHE A 9 -17.247 13.767 -13.023 1.00 61.13 C ATOM 117 CG PHE A 9 -18.030 13.170 -11.889 1.00 11.30 C ATOM 118 CD1 PHE A 9 -19.284 12.622 -12.108 1.00 2.51 C ATOM 119 CD2 PHE A 9 -17.513 13.158 -10.604 1.00 22.24 C ATOM 120 CE1 PHE A 9 -20.007 12.072 -11.066 1.00 50.34 C ATOM 121 CE2 PHE A 9 -18.231 12.609 -9.558 1.00 72.34 C ATOM 122 CZ PHE A 9 -19.480 12.066 -9.790 1.00 13.43 C ATOM 0 H PHE A 9 -14.849 13.423 -14.238 1.00 21.52 H new ATOM 0 HA PHE A 9 -17.287 11.782 -13.849 1.00 5.30 H new ATOM 0 HB2 PHE A 9 -16.356 14.251 -12.624 1.00 61.13 H new ATOM 0 HB3 PHE A 9 -17.846 14.544 -13.499 1.00 61.13 H new ATOM 0 HD1 PHE A 9 -19.701 12.625 -13.104 1.00 2.51 H new ATOM 0 HD2 PHE A 9 -16.538 13.582 -10.417 1.00 22.24 H new ATOM 0 HE1 PHE A 9 -20.983 11.648 -11.250 1.00 50.34 H new ATOM 0 HE2 PHE A 9 -17.816 12.605 -8.561 1.00 72.34 H new ATOM 0 HZ PHE A 9 -20.043 11.637 -8.974 1.00 13.43 H new ATOM 132 N VAL A 10 -18.259 12.448 -16.015 1.00 41.31 N ATOM 133 CA VAL A 10 -18.806 12.767 -17.328 1.00 51.53 C ATOM 134 C VAL A 10 -20.284 13.131 -17.234 1.00 62.44 C ATOM 135 O VAL A 10 -21.073 12.413 -16.620 1.00 74.10 O ATOM 136 CB VAL A 10 -18.639 11.590 -18.307 1.00 73.01 C ATOM 137 CG1 VAL A 10 -18.209 12.091 -19.677 1.00 54.34 C ATOM 138 CG2 VAL A 10 -17.640 10.582 -17.761 1.00 64.44 C ATOM 0 H VAL A 10 -18.666 11.621 -15.578 1.00 41.31 H new ATOM 0 HA VAL A 10 -18.247 13.624 -17.704 1.00 51.53 H new ATOM 0 HB VAL A 10 -19.602 11.091 -18.416 1.00 73.01 H new ATOM 0 HG11 VAL A 10 -18.096 11.245 -20.355 1.00 54.34 H new ATOM 0 HG12 VAL A 10 -18.965 12.772 -20.069 1.00 54.34 H new ATOM 0 HG13 VAL A 10 -17.258 12.616 -19.590 1.00 54.34 H new ATOM 0 HG21 VAL A 10 -17.534 9.757 -18.465 1.00 64.44 H new ATOM 0 HG22 VAL A 10 -16.674 11.066 -17.622 1.00 64.44 H new ATOM 0 HG23 VAL A 10 -17.995 10.199 -16.804 1.00 64.44 H new ATOM 148 N LYS A 11 -20.652 14.250 -17.848 1.00 74.11 N ATOM 149 CA LYS A 11 -22.036 14.709 -17.836 1.00 51.54 C ATOM 150 C LYS A 11 -22.688 14.507 -19.200 1.00 51.45 C ATOM 151 O LYS A 11 -22.288 15.123 -20.189 1.00 54.41 O ATOM 152 CB LYS A 11 -22.101 16.187 -17.442 1.00 72.30 C ATOM 153 CG LYS A 11 -23.453 16.827 -17.704 1.00 52.31 C ATOM 154 CD LYS A 11 -23.446 18.306 -17.356 1.00 54.43 C ATOM 155 CE LYS A 11 -23.128 19.163 -18.572 1.00 1.31 C ATOM 156 NZ LYS A 11 -23.198 20.618 -18.259 1.00 60.41 N ATOM 0 H LYS A 11 -20.011 14.856 -18.360 1.00 74.11 H new ATOM 0 HA LYS A 11 -22.582 14.118 -17.101 1.00 51.54 H new ATOM 0 HB2 LYS A 11 -21.862 16.283 -16.383 1.00 72.30 H new ATOM 0 HB3 LYS A 11 -21.336 16.735 -17.992 1.00 72.30 H new ATOM 0 HG2 LYS A 11 -23.719 16.700 -18.753 1.00 52.31 H new ATOM 0 HG3 LYS A 11 -24.218 16.318 -17.117 1.00 52.31 H new ATOM 0 HD2 LYS A 11 -24.418 18.591 -16.953 1.00 54.43 H new ATOM 0 HD3 LYS A 11 -22.710 18.494 -16.575 1.00 54.43 H new ATOM 0 HE2 LYS A 11 -22.131 18.918 -18.938 1.00 1.31 H new ATOM 0 HE3 LYS A 11 -23.829 18.930 -19.374 1.00 1.31 H new ATOM 0 HZ1 LYS A 11 -22.975 21.168 -19.113 1.00 60.41 H new ATOM 0 HZ2 LYS A 11 -24.156 20.857 -17.933 1.00 60.41 H new ATOM 0 HZ3 LYS A 11 -22.512 20.846 -17.512 1.00 60.41 H new ATOM 170 N THR A 12 -23.696 13.641 -19.247 1.00 44.25 N ATOM 171 CA THR A 12 -24.403 13.358 -20.490 1.00 11.52 C ATOM 172 C THR A 12 -25.329 14.508 -20.869 1.00 52.31 C ATOM 173 O THR A 12 -25.701 15.324 -20.024 1.00 40.24 O ATOM 174 CB THR A 12 -25.229 12.063 -20.384 1.00 31.35 C ATOM 175 OG1 THR A 12 -26.206 12.188 -19.344 1.00 2.21 O ATOM 176 CG2 THR A 12 -24.330 10.869 -20.100 1.00 5.23 C ATOM 0 H THR A 12 -24.041 13.124 -18.438 1.00 44.25 H new ATOM 0 HA THR A 12 -23.645 13.234 -21.264 1.00 11.52 H new ATOM 0 HB THR A 12 -25.732 11.901 -21.337 1.00 31.35 H new ATOM 0 HG1 THR A 12 -27.104 12.096 -19.726 1.00 2.21 H new ATOM 0 HG21 THR A 12 -24.936 9.966 -20.029 1.00 5.23 H new ATOM 0 HG22 THR A 12 -23.606 10.758 -20.908 1.00 5.23 H new ATOM 0 HG23 THR A 12 -23.802 11.026 -19.159 1.00 5.23 H new ATOM 184 N LEU A 13 -25.699 14.568 -22.143 1.00 75.25 N ATOM 185 CA LEU A 13 -26.584 15.619 -22.635 1.00 71.50 C ATOM 186 C LEU A 13 -27.919 15.596 -21.897 1.00 3.21 C ATOM 187 O LEU A 13 -28.662 16.578 -21.904 1.00 4.42 O ATOM 188 CB LEU A 13 -26.817 15.455 -24.138 1.00 63.10 C ATOM 189 CG LEU A 13 -27.528 16.614 -24.837 1.00 62.03 C ATOM 190 CD1 LEU A 13 -26.517 17.625 -25.357 1.00 33.23 C ATOM 191 CD2 LEU A 13 -28.400 16.098 -25.972 1.00 71.33 C ATOM 0 H LEU A 13 -25.400 13.901 -22.855 1.00 75.25 H new ATOM 0 HA LEU A 13 -26.104 16.580 -22.451 1.00 71.50 H new ATOM 0 HB2 LEU A 13 -25.852 15.303 -24.621 1.00 63.10 H new ATOM 0 HB3 LEU A 13 -27.400 14.548 -24.298 1.00 63.10 H new ATOM 0 HG LEU A 13 -28.169 17.113 -24.110 1.00 62.03 H new ATOM 0 HD11 LEU A 13 -27.041 18.443 -25.851 1.00 33.23 H new ATOM 0 HD12 LEU A 13 -25.935 18.019 -24.524 1.00 33.23 H new ATOM 0 HD13 LEU A 13 -25.850 17.139 -26.069 1.00 33.23 H new ATOM 0 HD21 LEU A 13 -28.898 16.937 -26.458 1.00 71.33 H new ATOM 0 HD22 LEU A 13 -27.779 15.574 -26.699 1.00 71.33 H new ATOM 0 HD23 LEU A 13 -29.148 15.413 -25.573 1.00 71.33 H new ATOM 203 N THR A 14 -28.217 14.469 -21.258 1.00 52.01 N ATOM 204 CA THR A 14 -29.461 14.319 -20.514 1.00 73.41 C ATOM 205 C THR A 14 -29.308 14.814 -19.081 1.00 30.04 C ATOM 206 O THR A 14 -30.233 14.713 -18.276 1.00 55.24 O ATOM 207 CB THR A 14 -29.928 12.851 -20.491 1.00 31.11 C ATOM 208 OG1 THR A 14 -29.043 12.068 -19.682 1.00 41.03 O ATOM 209 CG2 THR A 14 -29.978 12.277 -21.899 1.00 34.33 C ATOM 0 H THR A 14 -27.614 13.647 -21.241 1.00 52.01 H new ATOM 0 HA THR A 14 -30.210 14.923 -21.026 1.00 73.41 H new ATOM 0 HB THR A 14 -30.932 12.818 -20.067 1.00 31.11 H new ATOM 0 HG1 THR A 14 -29.348 11.137 -19.671 1.00 41.03 H new ATOM 0 HG21 THR A 14 -30.310 11.240 -21.857 1.00 34.33 H new ATOM 0 HG22 THR A 14 -30.675 12.857 -22.504 1.00 34.33 H new ATOM 0 HG23 THR A 14 -28.985 12.322 -22.346 1.00 34.33 H new ATOM 217 N GLY A 15 -28.132 15.351 -18.767 1.00 75.41 N ATOM 218 CA GLY A 15 -27.880 15.854 -17.430 1.00 10.42 C ATOM 219 C GLY A 15 -27.640 14.743 -16.427 1.00 43.03 C ATOM 220 O GLY A 15 -28.293 14.684 -15.385 1.00 50.04 O ATOM 0 H GLY A 15 -27.350 15.446 -19.415 1.00 75.41 H new ATOM 0 HA2 GLY A 15 -27.012 16.514 -17.451 1.00 10.42 H new ATOM 0 HA3 GLY A 15 -28.729 16.455 -17.105 1.00 10.42 H new ATOM 224 N LYS A 16 -26.701 13.857 -16.742 1.00 45.41 N ATOM 225 CA LYS A 16 -26.375 12.741 -15.862 1.00 42.41 C ATOM 226 C LYS A 16 -24.875 12.682 -15.591 1.00 62.34 C ATOM 227 O LYS A 16 -24.072 12.528 -16.513 1.00 34.32 O ATOM 228 CB LYS A 16 -26.845 11.423 -16.481 1.00 0.11 C ATOM 229 CG LYS A 16 -27.306 10.401 -15.457 1.00 20.33 C ATOM 230 CD LYS A 16 -26.154 9.533 -14.977 1.00 52.32 C ATOM 231 CE LYS A 16 -25.635 8.633 -16.088 1.00 22.25 C ATOM 232 NZ LYS A 16 -25.990 7.205 -15.856 1.00 0.31 N ATOM 0 H LYS A 16 -26.152 13.890 -17.601 1.00 45.41 H new ATOM 0 HA LYS A 16 -26.891 12.895 -14.914 1.00 42.41 H new ATOM 0 HB2 LYS A 16 -27.663 11.627 -17.172 1.00 0.11 H new ATOM 0 HB3 LYS A 16 -26.031 10.996 -17.067 1.00 0.11 H new ATOM 0 HG2 LYS A 16 -27.755 10.914 -14.607 1.00 20.33 H new ATOM 0 HG3 LYS A 16 -28.080 9.770 -15.894 1.00 20.33 H new ATOM 0 HD2 LYS A 16 -25.346 10.167 -14.614 1.00 52.32 H new ATOM 0 HD3 LYS A 16 -26.483 8.922 -14.136 1.00 52.32 H new ATOM 0 HE2 LYS A 16 -26.048 8.959 -17.043 1.00 22.25 H new ATOM 0 HE3 LYS A 16 -24.552 8.731 -16.159 1.00 22.25 H new ATOM 0 HZ1 LYS A 16 -26.263 6.764 -16.758 1.00 0.31 H new ATOM 0 HZ2 LYS A 16 -25.170 6.703 -15.460 1.00 0.31 H new ATOM 0 HZ3 LYS A 16 -26.786 7.149 -15.189 1.00 0.31 H new ATOM 246 N THR A 17 -24.502 12.803 -14.321 1.00 42.31 N ATOM 247 CA THR A 17 -23.099 12.763 -13.929 1.00 64.14 C ATOM 248 C THR A 17 -22.665 11.343 -13.583 1.00 71.05 C ATOM 249 O THR A 17 -23.202 10.727 -12.662 1.00 53.13 O ATOM 250 CB THR A 17 -22.826 13.679 -12.722 1.00 1.32 C ATOM 251 OG1 THR A 17 -23.573 13.229 -11.586 1.00 55.25 O ATOM 252 CG2 THR A 17 -23.197 15.120 -13.041 1.00 23.21 C ATOM 0 H THR A 17 -25.153 12.930 -13.546 1.00 42.31 H new ATOM 0 HA THR A 17 -22.523 13.119 -14.783 1.00 64.14 H new ATOM 0 HB THR A 17 -21.761 13.636 -12.496 1.00 1.32 H new ATOM 0 HG1 THR A 17 -23.707 12.260 -11.645 1.00 55.25 H new ATOM 0 HG21 THR A 17 -22.995 15.748 -12.173 1.00 23.21 H new ATOM 0 HG22 THR A 17 -22.605 15.469 -13.887 1.00 23.21 H new ATOM 0 HG23 THR A 17 -24.256 15.176 -13.291 1.00 23.21 H new ATOM 260 N ILE A 18 -21.691 10.829 -14.327 1.00 3.34 N ATOM 261 CA ILE A 18 -21.184 9.482 -14.096 1.00 53.02 C ATOM 262 C ILE A 18 -19.708 9.507 -13.717 1.00 3.24 C ATOM 263 O ILE A 18 -18.926 10.284 -14.267 1.00 13.13 O ATOM 264 CB ILE A 18 -21.368 8.591 -15.339 1.00 52.42 C ATOM 265 CG1 ILE A 18 -20.483 7.348 -15.238 1.00 24.21 C ATOM 266 CG2 ILE A 18 -21.048 9.374 -16.604 1.00 14.42 C ATOM 267 CD1 ILE A 18 -20.790 6.300 -16.285 1.00 41.30 C ATOM 0 H ILE A 18 -21.238 11.325 -15.094 1.00 3.34 H new ATOM 0 HA ILE A 18 -21.761 9.065 -13.271 1.00 53.02 H new ATOM 0 HB ILE A 18 -22.409 8.270 -15.387 1.00 52.42 H new ATOM 0 HG12 ILE A 18 -19.439 7.647 -15.330 1.00 24.21 H new ATOM 0 HG13 ILE A 18 -20.602 6.907 -14.248 1.00 24.21 H new ATOM 0 HG21 ILE A 18 -21.183 8.731 -17.474 1.00 14.42 H new ATOM 0 HG22 ILE A 18 -21.716 10.232 -16.680 1.00 14.42 H new ATOM 0 HG23 ILE A 18 -20.015 9.721 -16.566 1.00 14.42 H new ATOM 0 HD11 ILE A 18 -20.124 5.447 -16.153 1.00 41.30 H new ATOM 0 HD12 ILE A 18 -21.824 5.972 -16.180 1.00 41.30 H new ATOM 0 HD13 ILE A 18 -20.643 6.724 -17.278 1.00 41.30 H new ATOM 279 N THR A 19 -19.330 8.650 -12.773 1.00 10.20 N ATOM 280 CA THR A 19 -17.947 8.573 -12.320 1.00 31.03 C ATOM 281 C THR A 19 -17.277 7.296 -12.813 1.00 72.32 C ATOM 282 O THR A 19 -17.873 6.219 -12.780 1.00 21.55 O ATOM 283 CB THR A 19 -17.856 8.626 -10.783 1.00 2.31 C ATOM 284 OG1 THR A 19 -19.144 8.909 -10.225 1.00 41.22 O ATOM 285 CG2 THR A 19 -16.860 9.686 -10.336 1.00 52.34 C ATOM 0 H THR A 19 -19.963 8.000 -12.308 1.00 10.20 H new ATOM 0 HA THR A 19 -17.429 9.436 -12.738 1.00 31.03 H new ATOM 0 HB THR A 19 -17.512 7.654 -10.428 1.00 2.31 H new ATOM 0 HG1 THR A 19 -19.270 9.879 -10.168 1.00 41.22 H new ATOM 0 HG21 THR A 19 -16.813 9.705 -9.247 1.00 52.34 H new ATOM 0 HG22 THR A 19 -15.874 9.452 -10.738 1.00 52.34 H new ATOM 0 HG23 THR A 19 -17.178 10.662 -10.702 1.00 52.34 H new ATOM 293 N ILE A 20 -16.036 7.423 -13.270 1.00 71.33 N ATOM 294 CA ILE A 20 -15.285 6.277 -13.769 1.00 12.21 C ATOM 295 C ILE A 20 -13.812 6.378 -13.388 1.00 70.33 C ATOM 296 O ILE A 20 -13.183 7.420 -13.570 1.00 11.53 O ATOM 297 CB ILE A 20 -15.401 6.151 -15.299 1.00 40.25 C ATOM 298 CG1 ILE A 20 -15.464 7.538 -15.944 1.00 22.41 C ATOM 299 CG2 ILE A 20 -16.627 5.332 -15.672 1.00 75.22 C ATOM 300 CD1 ILE A 20 -14.829 7.596 -17.316 1.00 22.35 C ATOM 0 H ILE A 20 -15.529 8.307 -13.305 1.00 71.33 H new ATOM 0 HA ILE A 20 -15.718 5.390 -13.306 1.00 12.21 H new ATOM 0 HB ILE A 20 -14.516 5.636 -15.674 1.00 40.25 H new ATOM 0 HG12 ILE A 20 -16.507 7.847 -16.022 1.00 22.41 H new ATOM 0 HG13 ILE A 20 -14.967 8.256 -15.292 1.00 22.41 H new ATOM 0 HG21 ILE A 20 -16.695 5.252 -16.757 1.00 75.22 H new ATOM 0 HG22 ILE A 20 -16.544 4.335 -15.239 1.00 75.22 H new ATOM 0 HG23 ILE A 20 -17.522 5.821 -15.288 1.00 75.22 H new ATOM 0 HD11 ILE A 20 -14.910 8.608 -17.712 1.00 22.35 H new ATOM 0 HD12 ILE A 20 -13.777 7.319 -17.242 1.00 22.35 H new ATOM 0 HD13 ILE A 20 -15.341 6.903 -17.984 1.00 22.35 H new ATOM 312 N ASP A 21 -13.267 5.287 -12.861 1.00 72.35 N ATOM 313 CA ASP A 21 -11.866 5.250 -12.458 1.00 13.33 C ATOM 314 C ASP A 21 -10.966 4.928 -13.647 1.00 34.15 C ATOM 315 O ASP A 21 -11.096 3.874 -14.269 1.00 32.30 O ATOM 316 CB ASP A 21 -11.659 4.216 -11.350 1.00 54.02 C ATOM 317 CG ASP A 21 -11.970 2.805 -11.810 1.00 15.30 C ATOM 318 OD1 ASP A 21 -13.142 2.537 -12.148 1.00 60.32 O ATOM 319 OD2 ASP A 21 -11.043 1.969 -11.831 1.00 5.42 O ATOM 0 H ASP A 21 -13.774 4.416 -12.703 1.00 72.35 H new ATOM 0 HA ASP A 21 -11.597 6.236 -12.079 1.00 13.33 H new ATOM 0 HB2 ASP A 21 -10.627 4.262 -11.002 1.00 54.02 H new ATOM 0 HB3 ASP A 21 -12.294 4.466 -10.500 1.00 54.02 H new ATOM 324 N VAL A 22 -10.054 5.843 -13.957 1.00 50.42 N ATOM 325 CA VAL A 22 -9.132 5.657 -15.071 1.00 73.23 C ATOM 326 C VAL A 22 -7.691 5.903 -14.639 1.00 71.33 C ATOM 327 O VAL A 22 -7.439 6.511 -13.599 1.00 52.53 O ATOM 328 CB VAL A 22 -9.472 6.595 -16.244 1.00 53.43 C ATOM 329 CG1 VAL A 22 -10.908 7.085 -16.138 1.00 35.04 C ATOM 330 CG2 VAL A 22 -8.503 7.767 -16.287 1.00 22.20 C ATOM 0 H VAL A 22 -9.934 6.721 -13.452 1.00 50.42 H new ATOM 0 HA VAL A 22 -9.238 4.623 -15.400 1.00 73.23 H new ATOM 0 HB VAL A 22 -9.372 6.035 -17.174 1.00 53.43 H new ATOM 0 HG11 VAL A 22 -11.129 7.746 -16.976 1.00 35.04 H new ATOM 0 HG12 VAL A 22 -11.586 6.232 -16.160 1.00 35.04 H new ATOM 0 HG13 VAL A 22 -11.039 7.628 -15.202 1.00 35.04 H new ATOM 0 HG21 VAL A 22 -8.758 8.420 -17.122 1.00 22.20 H new ATOM 0 HG22 VAL A 22 -8.569 8.328 -15.355 1.00 22.20 H new ATOM 0 HG23 VAL A 22 -7.487 7.394 -16.415 1.00 22.20 H new ATOM 340 N ASP A 23 -6.748 5.426 -15.445 1.00 34.13 N ATOM 341 CA ASP A 23 -5.331 5.595 -15.147 1.00 1.10 C ATOM 342 C ASP A 23 -4.645 6.427 -16.226 1.00 25.20 C ATOM 343 O ASP A 23 -5.164 6.578 -17.332 1.00 40.23 O ATOM 344 CB ASP A 23 -4.647 4.232 -15.024 1.00 55.31 C ATOM 345 CG ASP A 23 -5.462 3.248 -14.209 1.00 31.53 C ATOM 346 OD1 ASP A 23 -6.436 2.687 -14.754 1.00 40.34 O ATOM 347 OD2 ASP A 23 -5.125 3.036 -13.025 1.00 53.30 O ATOM 0 H ASP A 23 -6.940 4.919 -16.309 1.00 34.13 H new ATOM 0 HA ASP A 23 -5.245 6.122 -14.197 1.00 1.10 H new ATOM 0 HB2 ASP A 23 -4.478 3.822 -16.020 1.00 55.31 H new ATOM 0 HB3 ASP A 23 -3.668 4.360 -14.561 1.00 55.31 H new ATOM 352 N HIS A 24 -3.475 6.965 -15.896 1.00 44.15 N ATOM 353 CA HIS A 24 -2.717 7.782 -16.837 1.00 41.45 C ATOM 354 C HIS A 24 -2.377 6.989 -18.095 1.00 71.43 C ATOM 355 O HIS A 24 -2.035 7.562 -19.129 1.00 70.11 O ATOM 356 CB HIS A 24 -1.434 8.296 -16.182 1.00 74.31 C ATOM 357 CG HIS A 24 -0.441 7.216 -15.883 1.00 61.41 C ATOM 358 ND1 HIS A 24 0.411 6.692 -16.833 1.00 55.22 N ATOM 359 CD2 HIS A 24 -0.164 6.561 -14.731 1.00 14.20 C ATOM 360 CE1 HIS A 24 1.166 5.761 -16.279 1.00 5.42 C ATOM 361 NE2 HIS A 24 0.838 5.663 -15.003 1.00 73.33 N ATOM 0 H HIS A 24 -3.032 6.850 -14.985 1.00 44.15 H new ATOM 0 HA HIS A 24 -3.337 8.632 -17.121 1.00 41.45 H new ATOM 0 HB2 HIS A 24 -0.971 9.033 -16.838 1.00 74.31 H new ATOM 0 HB3 HIS A 24 -1.689 8.810 -15.255 1.00 74.31 H new ATOM 0 HD2 HIS A 24 -0.643 6.716 -13.775 1.00 14.20 H new ATOM 0 HE1 HIS A 24 1.923 5.179 -16.783 1.00 5.42 H new ATOM 0 HE2 HIS A 24 1.261 5.024 -14.330 1.00 73.33 H new ATOM 369 N ALA A 25 -2.473 5.667 -17.999 1.00 30.41 N ATOM 370 CA ALA A 25 -2.177 4.795 -19.129 1.00 30.21 C ATOM 371 C ALA A 25 -3.424 4.546 -19.971 1.00 65.43 C ATOM 372 O ALA A 25 -3.405 3.739 -20.902 1.00 3.45 O ATOM 373 CB ALA A 25 -1.596 3.476 -18.640 1.00 43.42 C ATOM 0 H ALA A 25 -2.754 5.176 -17.150 1.00 30.41 H new ATOM 0 HA ALA A 25 -1.439 5.294 -19.758 1.00 30.21 H new ATOM 0 HB1 ALA A 25 -1.380 2.835 -19.494 1.00 43.42 H new ATOM 0 HB2 ALA A 25 -0.676 3.666 -18.087 1.00 43.42 H new ATOM 0 HB3 ALA A 25 -2.316 2.981 -17.988 1.00 43.42 H new ATOM 379 N ASP A 26 -4.505 5.242 -19.639 1.00 71.40 N ATOM 380 CA ASP A 26 -5.761 5.096 -20.366 1.00 31.14 C ATOM 381 C ASP A 26 -6.112 6.382 -21.107 1.00 74.00 C ATOM 382 O ASP A 26 -6.270 7.440 -20.497 1.00 51.33 O ATOM 383 CB ASP A 26 -6.891 4.722 -19.404 1.00 64.15 C ATOM 384 CG ASP A 26 -6.652 3.389 -18.722 1.00 13.43 C ATOM 385 OD1 ASP A 26 -5.665 3.278 -17.964 1.00 52.54 O ATOM 386 OD2 ASP A 26 -7.453 2.458 -18.944 1.00 34.21 O ATOM 0 H ASP A 26 -4.537 5.913 -18.871 1.00 71.40 H new ATOM 0 HA ASP A 26 -5.638 4.298 -21.098 1.00 31.14 H new ATOM 0 HB2 ASP A 26 -6.994 5.501 -18.648 1.00 64.15 H new ATOM 0 HB3 ASP A 26 -7.833 4.683 -19.952 1.00 64.15 H new ATOM 391 N THR A 27 -6.233 6.284 -22.427 1.00 43.04 N ATOM 392 CA THR A 27 -6.563 7.439 -23.253 1.00 2.14 C ATOM 393 C THR A 27 -8.066 7.690 -23.272 1.00 33.44 C ATOM 394 O THR A 27 -8.850 6.861 -22.807 1.00 42.24 O ATOM 395 CB THR A 27 -6.066 7.256 -24.699 1.00 41.52 C ATOM 396 OG1 THR A 27 -6.130 5.874 -25.068 1.00 51.54 O ATOM 397 CG2 THR A 27 -4.639 7.761 -24.849 1.00 25.22 C ATOM 0 H THR A 27 -6.107 5.416 -22.947 1.00 43.04 H new ATOM 0 HA THR A 27 -6.060 8.298 -22.810 1.00 2.14 H new ATOM 0 HB THR A 27 -6.711 7.837 -25.358 1.00 41.52 H new ATOM 0 HG1 THR A 27 -5.814 5.766 -25.989 1.00 51.54 H new ATOM 0 HG21 THR A 27 -4.310 7.621 -25.879 1.00 25.22 H new ATOM 0 HG22 THR A 27 -4.600 8.821 -24.596 1.00 25.22 H new ATOM 0 HG23 THR A 27 -3.984 7.204 -24.180 1.00 25.22 H new ATOM 405 N VAL A 28 -8.464 8.837 -23.812 1.00 44.21 N ATOM 406 CA VAL A 28 -9.874 9.196 -23.893 1.00 55.03 C ATOM 407 C VAL A 28 -10.688 8.082 -24.542 1.00 14.00 C ATOM 408 O VAL A 28 -11.737 7.689 -24.034 1.00 34.32 O ATOM 409 CB VAL A 28 -10.078 10.497 -24.692 1.00 44.21 C ATOM 410 CG1 VAL A 28 -11.466 11.065 -24.443 1.00 55.43 C ATOM 411 CG2 VAL A 28 -9.004 11.514 -24.335 1.00 15.45 C ATOM 0 H VAL A 28 -7.829 9.534 -24.200 1.00 44.21 H new ATOM 0 HA VAL A 28 -10.220 9.348 -22.871 1.00 55.03 H new ATOM 0 HB VAL A 28 -9.991 10.268 -25.754 1.00 44.21 H new ATOM 0 HG11 VAL A 28 -11.591 11.984 -25.016 1.00 55.43 H new ATOM 0 HG12 VAL A 28 -12.217 10.339 -24.753 1.00 55.43 H new ATOM 0 HG13 VAL A 28 -11.586 11.280 -23.381 1.00 55.43 H new ATOM 0 HG21 VAL A 28 -9.163 12.427 -24.908 1.00 15.45 H new ATOM 0 HG22 VAL A 28 -9.057 11.740 -23.270 1.00 15.45 H new ATOM 0 HG23 VAL A 28 -8.022 11.104 -24.571 1.00 15.45 H new ATOM 421 N GLY A 29 -10.197 7.576 -25.669 1.00 45.31 N ATOM 422 CA GLY A 29 -10.891 6.512 -26.369 1.00 64.54 C ATOM 423 C GLY A 29 -11.347 5.406 -25.438 1.00 1.21 C ATOM 424 O GLY A 29 -12.513 5.015 -25.453 1.00 75.30 O ATOM 0 H GLY A 29 -9.330 7.884 -26.110 1.00 45.31 H new ATOM 0 HA2 GLY A 29 -11.756 6.926 -26.887 1.00 64.54 H new ATOM 0 HA3 GLY A 29 -10.233 6.093 -27.131 1.00 64.54 H new ATOM 428 N ALA A 30 -10.424 4.900 -24.626 1.00 14.41 N ATOM 429 CA ALA A 30 -10.738 3.834 -23.683 1.00 73.34 C ATOM 430 C ALA A 30 -11.807 4.276 -22.690 1.00 33.11 C ATOM 431 O ALA A 30 -12.662 3.486 -22.290 1.00 33.43 O ATOM 432 CB ALA A 30 -9.482 3.393 -22.948 1.00 24.51 C ATOM 0 H ALA A 30 -9.453 5.211 -24.603 1.00 14.41 H new ATOM 0 HA ALA A 30 -11.131 2.988 -24.247 1.00 73.34 H new ATOM 0 HB1 ALA A 30 -9.731 2.596 -22.247 1.00 24.51 H new ATOM 0 HB2 ALA A 30 -8.749 3.027 -23.667 1.00 24.51 H new ATOM 0 HB3 ALA A 30 -9.064 4.239 -22.402 1.00 24.51 H new ATOM 438 N VAL A 31 -11.753 5.544 -22.295 1.00 31.14 N ATOM 439 CA VAL A 31 -12.717 6.091 -21.348 1.00 12.42 C ATOM 440 C VAL A 31 -14.127 6.078 -21.929 1.00 23.54 C ATOM 441 O VAL A 31 -15.083 5.687 -21.258 1.00 41.34 O ATOM 442 CB VAL A 31 -12.353 7.533 -20.947 1.00 13.33 C ATOM 443 CG1 VAL A 31 -13.461 8.150 -20.106 1.00 21.41 C ATOM 444 CG2 VAL A 31 -11.028 7.560 -20.200 1.00 32.10 C ATOM 0 H VAL A 31 -11.052 6.212 -22.616 1.00 31.14 H new ATOM 0 HA VAL A 31 -12.686 5.456 -20.463 1.00 12.42 H new ATOM 0 HB VAL A 31 -12.245 8.127 -21.854 1.00 13.33 H new ATOM 0 HG11 VAL A 31 -13.186 9.169 -19.832 1.00 21.41 H new ATOM 0 HG12 VAL A 31 -14.387 8.166 -20.680 1.00 21.41 H new ATOM 0 HG13 VAL A 31 -13.605 7.558 -19.202 1.00 21.41 H new ATOM 0 HG21 VAL A 31 -10.787 8.587 -19.924 1.00 32.10 H new ATOM 0 HG22 VAL A 31 -11.106 6.951 -19.299 1.00 32.10 H new ATOM 0 HG23 VAL A 31 -10.241 7.162 -20.840 1.00 32.10 H new ATOM 454 N LYS A 32 -14.249 6.506 -23.181 1.00 21.35 N ATOM 455 CA LYS A 32 -15.541 6.541 -23.855 1.00 13.53 C ATOM 456 C LYS A 32 -16.206 5.169 -23.831 1.00 25.41 C ATOM 457 O LYS A 32 -17.407 5.054 -23.590 1.00 41.12 O ATOM 458 CB LYS A 32 -15.372 7.013 -25.301 1.00 14.23 C ATOM 459 CG LYS A 32 -15.938 8.399 -25.558 1.00 73.04 C ATOM 460 CD LYS A 32 -14.840 9.447 -25.624 1.00 24.41 C ATOM 461 CE LYS A 32 -14.545 9.856 -27.059 1.00 0.32 C ATOM 462 NZ LYS A 32 -14.311 8.676 -27.936 1.00 23.23 N ATOM 0 H LYS A 32 -13.468 6.834 -23.750 1.00 21.35 H new ATOM 0 HA LYS A 32 -16.181 7.244 -23.322 1.00 13.53 H new ATOM 0 HB2 LYS A 32 -14.312 7.010 -25.554 1.00 14.23 H new ATOM 0 HB3 LYS A 32 -15.860 6.301 -25.966 1.00 14.23 H new ATOM 0 HG2 LYS A 32 -16.497 8.397 -26.494 1.00 73.04 H new ATOM 0 HG3 LYS A 32 -16.642 8.658 -24.767 1.00 73.04 H new ATOM 0 HD2 LYS A 32 -15.137 10.324 -25.049 1.00 24.41 H new ATOM 0 HD3 LYS A 32 -13.934 9.055 -25.163 1.00 24.41 H new ATOM 0 HE2 LYS A 32 -15.380 10.438 -27.449 1.00 0.32 H new ATOM 0 HE3 LYS A 32 -13.668 10.503 -27.079 1.00 0.32 H new ATOM 0 HZ1 LYS A 32 -13.780 8.971 -28.780 1.00 23.23 H new ATOM 0 HZ2 LYS A 32 -13.765 7.960 -27.416 1.00 23.23 H new ATOM 0 HZ3 LYS A 32 -15.225 8.272 -28.226 1.00 23.23 H new ATOM 476 N ALA A 33 -15.415 4.130 -24.081 1.00 34.42 N ATOM 477 CA ALA A 33 -15.927 2.765 -24.084 1.00 63.45 C ATOM 478 C ALA A 33 -16.436 2.365 -22.704 1.00 3.34 C ATOM 479 O ALA A 33 -17.474 1.716 -22.577 1.00 22.42 O ATOM 480 CB ALA A 33 -14.848 1.798 -24.551 1.00 51.32 C ATOM 0 H ALA A 33 -14.418 4.208 -24.284 1.00 34.42 H new ATOM 0 HA ALA A 33 -16.766 2.720 -24.778 1.00 63.45 H new ATOM 0 HB1 ALA A 33 -15.244 0.782 -24.548 1.00 51.32 H new ATOM 0 HB2 ALA A 33 -14.534 2.063 -25.561 1.00 51.32 H new ATOM 0 HB3 ALA A 33 -13.992 1.856 -23.879 1.00 51.32 H new ATOM 486 N LYS A 34 -15.698 2.757 -21.670 1.00 52.42 N ATOM 487 CA LYS A 34 -16.074 2.441 -20.297 1.00 54.34 C ATOM 488 C LYS A 34 -17.442 3.026 -19.960 1.00 12.03 C ATOM 489 O LYS A 34 -18.252 2.386 -19.289 1.00 14.02 O ATOM 490 CB LYS A 34 -15.024 2.978 -19.322 1.00 62.25 C ATOM 491 CG LYS A 34 -15.301 2.621 -17.872 1.00 53.14 C ATOM 492 CD LYS A 34 -15.192 1.124 -17.636 1.00 0.24 C ATOM 493 CE LYS A 34 -13.771 0.628 -17.854 1.00 71.55 C ATOM 494 NZ LYS A 34 -13.443 -0.523 -16.968 1.00 70.20 N ATOM 0 H LYS A 34 -14.835 3.294 -21.757 1.00 52.42 H new ATOM 0 HA LYS A 34 -16.128 1.357 -20.202 1.00 54.34 H new ATOM 0 HB2 LYS A 34 -14.046 2.587 -19.603 1.00 62.25 H new ATOM 0 HB3 LYS A 34 -14.973 4.063 -19.417 1.00 62.25 H new ATOM 0 HG2 LYS A 34 -14.596 3.144 -17.226 1.00 53.14 H new ATOM 0 HG3 LYS A 34 -16.299 2.962 -17.597 1.00 53.14 H new ATOM 0 HD2 LYS A 34 -15.508 0.891 -16.619 1.00 0.24 H new ATOM 0 HD3 LYS A 34 -15.869 0.598 -18.309 1.00 0.24 H new ATOM 0 HE2 LYS A 34 -13.646 0.332 -18.895 1.00 71.55 H new ATOM 0 HE3 LYS A 34 -13.070 1.441 -17.667 1.00 71.55 H new ATOM 0 HZ1 LYS A 34 -12.466 -0.832 -17.147 1.00 70.20 H new ATOM 0 HZ2 LYS A 34 -13.538 -0.234 -15.974 1.00 70.20 H new ATOM 0 HZ3 LYS A 34 -14.096 -1.309 -17.164 1.00 70.20 H new ATOM 508 N ILE A 35 -17.692 4.243 -20.430 1.00 15.43 N ATOM 509 CA ILE A 35 -18.963 4.912 -20.179 1.00 72.02 C ATOM 510 C ILE A 35 -20.100 4.233 -20.936 1.00 11.15 C ATOM 511 O ILE A 35 -21.224 4.145 -20.440 1.00 42.11 O ATOM 512 CB ILE A 35 -18.907 6.397 -20.584 1.00 34.04 C ATOM 513 CG1 ILE A 35 -17.757 7.102 -19.862 1.00 64.44 C ATOM 514 CG2 ILE A 35 -20.231 7.080 -20.274 1.00 50.34 C ATOM 515 CD1 ILE A 35 -17.863 7.043 -18.355 1.00 4.44 C ATOM 0 H ILE A 35 -17.032 4.786 -20.986 1.00 15.43 H new ATOM 0 HA ILE A 35 -19.150 4.843 -19.107 1.00 72.02 H new ATOM 0 HB ILE A 35 -18.730 6.459 -21.658 1.00 34.04 H new ATOM 0 HG12 ILE A 35 -16.814 6.650 -20.170 1.00 64.44 H new ATOM 0 HG13 ILE A 35 -17.727 8.146 -20.175 1.00 64.44 H new ATOM 0 HG21 ILE A 35 -20.176 8.129 -20.566 1.00 50.34 H new ATOM 0 HG22 ILE A 35 -21.032 6.590 -20.829 1.00 50.34 H new ATOM 0 HG23 ILE A 35 -20.435 7.011 -19.205 1.00 50.34 H new ATOM 0 HD11 ILE A 35 -17.015 7.563 -17.910 1.00 4.44 H new ATOM 0 HD12 ILE A 35 -18.789 7.521 -18.036 1.00 4.44 H new ATOM 0 HD13 ILE A 35 -17.862 6.002 -18.031 1.00 4.44 H new ATOM 527 N TYR A 36 -19.800 3.753 -22.137 1.00 41.11 N ATOM 528 CA TYR A 36 -20.797 3.082 -22.963 1.00 23.11 C ATOM 529 C TYR A 36 -21.414 1.901 -22.220 1.00 65.42 C ATOM 530 O TYR A 36 -22.630 1.713 -22.231 1.00 13.14 O ATOM 531 CB TYR A 36 -20.167 2.603 -24.272 1.00 4.02 C ATOM 532 CG TYR A 36 -20.506 1.171 -24.619 1.00 24.13 C ATOM 533 CD1 TYR A 36 -21.768 0.830 -25.089 1.00 62.21 C ATOM 534 CD2 TYR A 36 -19.565 0.159 -24.475 1.00 64.01 C ATOM 535 CE1 TYR A 36 -22.083 -0.477 -25.407 1.00 24.43 C ATOM 536 CE2 TYR A 36 -19.870 -1.151 -24.792 1.00 0.53 C ATOM 537 CZ TYR A 36 -21.130 -1.464 -25.257 1.00 12.32 C ATOM 538 OH TYR A 36 -21.439 -2.767 -25.572 1.00 23.32 O ATOM 0 H TYR A 36 -18.874 3.816 -22.561 1.00 41.11 H new ATOM 0 HA TYR A 36 -21.587 3.799 -23.189 1.00 23.11 H new ATOM 0 HB2 TYR A 36 -20.497 3.252 -25.083 1.00 4.02 H new ATOM 0 HB3 TYR A 36 -19.084 2.705 -24.203 1.00 4.02 H new ATOM 0 HD1 TYR A 36 -22.516 1.600 -25.208 1.00 62.21 H new ATOM 0 HD2 TYR A 36 -18.578 0.400 -24.109 1.00 64.01 H new ATOM 0 HE1 TYR A 36 -23.069 -0.725 -25.771 1.00 24.43 H new ATOM 0 HE2 TYR A 36 -19.126 -1.925 -24.676 1.00 0.53 H new ATOM 0 HH TYR A 36 -20.658 -3.337 -25.411 1.00 23.32 H new ATOM 548 N ASP A 37 -20.565 1.107 -21.576 1.00 1.31 N ATOM 549 CA ASP A 37 -21.025 -0.056 -20.826 1.00 3.43 C ATOM 550 C ASP A 37 -21.671 0.367 -19.510 1.00 52.23 C ATOM 551 O ASP A 37 -22.613 -0.269 -19.036 1.00 2.41 O ATOM 552 CB ASP A 37 -19.859 -1.007 -20.553 1.00 5.24 C ATOM 553 CG ASP A 37 -20.303 -2.452 -20.444 1.00 73.13 C ATOM 554 OD1 ASP A 37 -21.073 -2.767 -19.513 1.00 74.24 O ATOM 555 OD2 ASP A 37 -19.881 -3.268 -21.290 1.00 63.21 O ATOM 0 H ASP A 37 -19.555 1.248 -21.558 1.00 1.31 H new ATOM 0 HA ASP A 37 -21.773 -0.573 -21.428 1.00 3.43 H new ATOM 0 HB2 ASP A 37 -19.124 -0.915 -21.353 1.00 5.24 H new ATOM 0 HB3 ASP A 37 -19.362 -0.712 -19.629 1.00 5.24 H new ATOM 560 N LYS A 38 -21.159 1.444 -18.924 1.00 41.25 N ATOM 561 CA LYS A 38 -21.685 1.953 -17.664 1.00 13.43 C ATOM 562 C LYS A 38 -23.177 2.251 -17.777 1.00 70.14 C ATOM 563 O LYS A 38 -23.966 1.844 -16.926 1.00 34.12 O ATOM 564 CB LYS A 38 -20.932 3.219 -17.247 1.00 34.11 C ATOM 565 CG LYS A 38 -20.113 3.050 -15.979 1.00 71.52 C ATOM 566 CD LYS A 38 -18.648 2.796 -16.292 1.00 20.31 C ATOM 567 CE LYS A 38 -18.368 1.313 -16.484 1.00 42.11 C ATOM 568 NZ LYS A 38 -17.621 0.736 -15.332 1.00 72.11 N ATOM 0 H LYS A 38 -20.379 1.982 -19.303 1.00 41.25 H new ATOM 0 HA LYS A 38 -21.542 1.185 -16.904 1.00 13.43 H new ATOM 0 HB2 LYS A 38 -20.271 3.522 -18.059 1.00 34.11 H new ATOM 0 HB3 LYS A 38 -21.649 4.027 -17.101 1.00 34.11 H new ATOM 0 HG2 LYS A 38 -20.205 3.945 -15.363 1.00 71.52 H new ATOM 0 HG3 LYS A 38 -20.511 2.220 -15.396 1.00 71.52 H new ATOM 0 HD2 LYS A 38 -18.368 3.340 -17.194 1.00 20.31 H new ATOM 0 HD3 LYS A 38 -18.029 3.182 -15.482 1.00 20.31 H new ATOM 0 HE2 LYS A 38 -19.310 0.779 -16.610 1.00 42.11 H new ATOM 0 HE3 LYS A 38 -17.794 1.167 -17.399 1.00 42.11 H new ATOM 0 HZ1 LYS A 38 -17.202 -0.174 -15.611 1.00 72.11 H new ATOM 0 HZ2 LYS A 38 -16.866 1.391 -15.044 1.00 72.11 H new ATOM 0 HZ3 LYS A 38 -18.273 0.587 -14.535 1.00 72.11 H new ATOM 582 N GLU A 39 -23.555 2.962 -18.835 1.00 73.33 N ATOM 583 CA GLU A 39 -24.953 3.312 -19.059 1.00 41.12 C ATOM 584 C GLU A 39 -25.566 2.436 -20.148 1.00 23.10 C ATOM 585 O GLU A 39 -26.572 1.764 -19.926 1.00 30.10 O ATOM 586 CB GLU A 39 -25.076 4.787 -19.447 1.00 11.12 C ATOM 587 CG GLU A 39 -23.879 5.627 -19.035 1.00 65.21 C ATOM 588 CD GLU A 39 -23.763 5.781 -17.531 1.00 74.20 C ATOM 589 OE1 GLU A 39 -23.936 4.772 -16.816 1.00 24.12 O ATOM 590 OE2 GLU A 39 -23.501 6.911 -17.069 1.00 43.25 O ATOM 0 H GLU A 39 -22.914 3.306 -19.549 1.00 73.33 H new ATOM 0 HA GLU A 39 -25.497 3.141 -18.130 1.00 41.12 H new ATOM 0 HB2 GLU A 39 -25.206 4.860 -20.527 1.00 11.12 H new ATOM 0 HB3 GLU A 39 -25.974 5.201 -18.989 1.00 11.12 H new ATOM 0 HG2 GLU A 39 -22.968 5.169 -19.421 1.00 65.21 H new ATOM 0 HG3 GLU A 39 -23.958 6.613 -19.492 1.00 65.21 H new ATOM 597 N GLY A 40 -24.951 2.450 -21.327 1.00 24.42 N ATOM 598 CA GLY A 40 -25.449 1.654 -22.433 1.00 73.40 C ATOM 599 C GLY A 40 -25.756 2.492 -23.658 1.00 62.44 C ATOM 600 O GLY A 40 -26.808 2.335 -24.278 1.00 52.01 O ATOM 0 H GLY A 40 -24.117 2.999 -21.535 1.00 24.42 H new ATOM 0 HA2 GLY A 40 -24.711 0.895 -22.692 1.00 73.40 H new ATOM 0 HA3 GLY A 40 -26.351 1.128 -22.121 1.00 73.40 H new ATOM 604 N ILE A 41 -24.836 3.384 -24.008 1.00 2.43 N ATOM 605 CA ILE A 41 -25.014 4.250 -25.167 1.00 2.54 C ATOM 606 C ILE A 41 -23.796 4.199 -26.084 1.00 35.24 C ATOM 607 O ILE A 41 -22.696 3.828 -25.675 1.00 42.10 O ATOM 608 CB ILE A 41 -25.263 5.711 -24.745 1.00 75.42 C ATOM 609 CG1 ILE A 41 -24.421 6.061 -23.517 1.00 31.01 C ATOM 610 CG2 ILE A 41 -26.741 5.935 -24.462 1.00 74.22 C ATOM 611 CD1 ILE A 41 -24.551 7.506 -23.087 1.00 62.44 C ATOM 0 H ILE A 41 -23.960 3.526 -23.506 1.00 2.43 H new ATOM 0 HA ILE A 41 -25.887 3.881 -25.705 1.00 2.54 H new ATOM 0 HB ILE A 41 -24.966 6.366 -25.564 1.00 75.42 H new ATOM 0 HG12 ILE A 41 -24.715 5.416 -22.689 1.00 31.01 H new ATOM 0 HG13 ILE A 41 -23.374 5.847 -23.731 1.00 31.01 H new ATOM 0 HG21 ILE A 41 -26.902 6.971 -24.165 1.00 74.22 H new ATOM 0 HG22 ILE A 41 -27.320 5.721 -25.360 1.00 74.22 H new ATOM 0 HG23 ILE A 41 -27.062 5.273 -23.657 1.00 74.22 H new ATOM 0 HD11 ILE A 41 -23.927 7.682 -22.211 1.00 62.44 H new ATOM 0 HD12 ILE A 41 -24.229 8.158 -23.899 1.00 62.44 H new ATOM 0 HD13 ILE A 41 -25.591 7.720 -22.841 1.00 62.44 H new ATOM 623 N PRO A 42 -23.996 4.581 -27.354 1.00 2.13 N ATOM 624 CA PRO A 42 -22.925 4.590 -28.355 1.00 73.41 C ATOM 625 C PRO A 42 -21.890 5.676 -28.088 1.00 2.55 C ATOM 626 O PRO A 42 -22.198 6.868 -28.059 1.00 54.02 O ATOM 627 CB PRO A 42 -23.667 4.868 -29.665 1.00 10.42 C ATOM 628 CG PRO A 42 -24.902 5.593 -29.254 1.00 33.32 C ATOM 629 CD PRO A 42 -25.282 5.035 -27.910 1.00 24.11 C ATOM 0 HA PRO A 42 -22.362 3.657 -28.358 1.00 73.41 H new ATOM 0 HB2 PRO A 42 -23.062 5.470 -30.343 1.00 10.42 H new ATOM 0 HB3 PRO A 42 -23.907 3.942 -30.188 1.00 10.42 H new ATOM 0 HG2 PRO A 42 -24.723 6.666 -29.194 1.00 33.32 H new ATOM 0 HG3 PRO A 42 -25.702 5.443 -29.979 1.00 33.32 H new ATOM 0 HD2 PRO A 42 -25.749 5.791 -27.278 1.00 24.11 H new ATOM 0 HD3 PRO A 42 -25.993 4.214 -28.002 1.00 24.11 H new ATOM 637 N PRO A 43 -20.631 5.259 -27.887 1.00 11.14 N ATOM 638 CA PRO A 43 -19.524 6.182 -27.619 1.00 12.22 C ATOM 639 C PRO A 43 -19.157 7.017 -28.841 1.00 24.40 C ATOM 640 O PRO A 43 -18.964 8.229 -28.742 1.00 21.51 O ATOM 641 CB PRO A 43 -18.370 5.251 -27.240 1.00 3.32 C ATOM 642 CG PRO A 43 -18.691 3.958 -27.907 1.00 12.44 C ATOM 643 CD PRO A 43 -20.191 3.854 -27.906 1.00 72.11 C ATOM 0 HA PRO A 43 -19.776 6.907 -26.845 1.00 12.22 H new ATOM 0 HB2 PRO A 43 -17.414 5.646 -27.583 1.00 3.32 H new ATOM 0 HB3 PRO A 43 -18.297 5.131 -26.159 1.00 3.32 H new ATOM 0 HG2 PRO A 43 -18.299 3.935 -28.924 1.00 12.44 H new ATOM 0 HG3 PRO A 43 -18.241 3.121 -27.373 1.00 12.44 H new ATOM 0 HD2 PRO A 43 -20.558 3.330 -28.789 1.00 72.11 H new ATOM 0 HD3 PRO A 43 -20.555 3.307 -27.036 1.00 72.11 H new ATOM 651 N ASP A 44 -19.061 6.361 -29.992 1.00 73.23 N ATOM 652 CA ASP A 44 -18.718 7.043 -31.235 1.00 32.13 C ATOM 653 C ASP A 44 -19.763 8.099 -31.581 1.00 3.51 C ATOM 654 O ASP A 44 -19.509 8.995 -32.387 1.00 35.44 O ATOM 655 CB ASP A 44 -18.596 6.035 -32.378 1.00 71.42 C ATOM 656 CG ASP A 44 -17.721 6.542 -33.507 1.00 5.32 C ATOM 657 OD1 ASP A 44 -16.860 7.408 -33.246 1.00 5.03 O ATOM 658 OD2 ASP A 44 -17.897 6.075 -34.652 1.00 22.45 O ATOM 0 H ASP A 44 -19.216 5.358 -30.090 1.00 73.23 H new ATOM 0 HA ASP A 44 -17.758 7.540 -31.095 1.00 32.13 H new ATOM 0 HB2 ASP A 44 -18.183 5.102 -31.993 1.00 71.42 H new ATOM 0 HB3 ASP A 44 -19.589 5.808 -32.766 1.00 71.42 H new ATOM 663 N GLN A 45 -20.936 7.987 -30.967 1.00 53.34 N ATOM 664 CA GLN A 45 -22.019 8.932 -31.213 1.00 14.32 C ATOM 665 C GLN A 45 -21.949 10.105 -30.240 1.00 54.03 C ATOM 666 O GLN A 45 -22.631 11.114 -30.421 1.00 25.11 O ATOM 667 CB GLN A 45 -23.374 8.232 -31.089 1.00 24.21 C ATOM 668 CG GLN A 45 -23.844 7.585 -32.381 1.00 73.44 C ATOM 669 CD GLN A 45 -25.009 6.638 -32.170 1.00 13.15 C ATOM 670 OE1 GLN A 45 -26.056 7.029 -31.652 1.00 50.53 O ATOM 671 NE2 GLN A 45 -24.834 5.384 -32.569 1.00 62.02 N ATOM 0 H GLN A 45 -21.161 7.252 -30.296 1.00 53.34 H new ATOM 0 HA GLN A 45 -21.908 9.317 -32.227 1.00 14.32 H new ATOM 0 HB2 GLN A 45 -23.310 7.469 -30.313 1.00 24.21 H new ATOM 0 HB3 GLN A 45 -24.120 8.957 -30.763 1.00 24.21 H new ATOM 0 HG2 GLN A 45 -24.136 8.363 -33.087 1.00 73.44 H new ATOM 0 HG3 GLN A 45 -23.015 7.040 -32.832 1.00 73.44 H new ATOM 0 HE21 GLN A 45 -23.950 5.102 -32.993 1.00 62.02 H new ATOM 0 HE22 GLN A 45 -25.583 4.702 -32.451 1.00 62.02 H new ATOM 680 N GLN A 46 -21.122 9.964 -29.210 1.00 10.13 N ATOM 681 CA GLN A 46 -20.965 11.012 -28.208 1.00 44.23 C ATOM 682 C GLN A 46 -19.537 11.548 -28.200 1.00 64.44 C ATOM 683 O GLN A 46 -18.598 10.846 -28.579 1.00 13.15 O ATOM 684 CB GLN A 46 -21.330 10.481 -26.821 1.00 73.33 C ATOM 685 CG GLN A 46 -20.554 9.236 -26.423 1.00 3.25 C ATOM 686 CD GLN A 46 -20.509 9.032 -24.921 1.00 10.40 C ATOM 687 OE1 GLN A 46 -21.546 8.981 -24.259 1.00 21.22 O ATOM 688 NE2 GLN A 46 -19.304 8.915 -24.375 1.00 34.22 N ATOM 0 H GLN A 46 -20.550 9.135 -29.047 1.00 10.13 H new ATOM 0 HA GLN A 46 -21.639 11.829 -28.465 1.00 44.23 H new ATOM 0 HB2 GLN A 46 -21.150 11.263 -26.083 1.00 73.33 H new ATOM 0 HB3 GLN A 46 -22.397 10.258 -26.796 1.00 73.33 H new ATOM 0 HG2 GLN A 46 -21.010 8.363 -26.891 1.00 3.25 H new ATOM 0 HG3 GLN A 46 -19.536 9.309 -26.807 1.00 3.25 H new ATOM 0 HE21 GLN A 46 -18.471 8.963 -24.962 1.00 34.22 H new ATOM 0 HE22 GLN A 46 -19.211 8.777 -23.369 1.00 34.22 H new ATOM 697 N ARG A 47 -19.380 12.794 -27.768 1.00 3.42 N ATOM 698 CA ARG A 47 -18.066 13.424 -27.712 1.00 51.34 C ATOM 699 C ARG A 47 -17.878 14.174 -26.397 1.00 4.01 C ATOM 700 O ARG A 47 -18.842 14.439 -25.677 1.00 44.02 O ATOM 701 CB ARG A 47 -17.888 14.385 -28.889 1.00 44.14 C ATOM 702 CG ARG A 47 -18.192 13.757 -30.240 1.00 2.22 C ATOM 703 CD ARG A 47 -18.320 14.811 -31.328 1.00 44.32 C ATOM 704 NE ARG A 47 -19.698 15.266 -31.491 1.00 21.12 N ATOM 705 CZ ARG A 47 -20.045 16.308 -32.239 1.00 21.54 C ATOM 706 NH1 ARG A 47 -19.119 16.998 -32.889 1.00 51.34 N ATOM 707 NH2 ARG A 47 -21.320 16.660 -32.337 1.00 34.31 N ATOM 0 H ARG A 47 -20.146 13.388 -27.451 1.00 3.42 H new ATOM 0 HA ARG A 47 -17.312 12.640 -27.774 1.00 51.34 H new ATOM 0 HB2 ARG A 47 -18.538 15.248 -28.744 1.00 44.14 H new ATOM 0 HB3 ARG A 47 -16.863 14.756 -28.893 1.00 44.14 H new ATOM 0 HG2 ARG A 47 -17.400 13.056 -30.503 1.00 2.22 H new ATOM 0 HG3 ARG A 47 -19.117 13.184 -30.176 1.00 2.22 H new ATOM 0 HD2 ARG A 47 -17.684 15.662 -31.085 1.00 44.32 H new ATOM 0 HD3 ARG A 47 -17.959 14.403 -32.272 1.00 44.32 H new ATOM 0 HE ARG A 47 -20.435 14.756 -31.004 1.00 21.12 H new ATOM 0 HH11 ARG A 47 -18.138 16.730 -32.816 1.00 51.34 H new ATOM 0 HH12 ARG A 47 -19.388 17.798 -33.463 1.00 51.34 H new ATOM 0 HH21 ARG A 47 -22.035 16.131 -31.838 1.00 34.31 H new ATOM 0 HH22 ARG A 47 -21.586 17.460 -32.911 1.00 34.31 H new ATOM 721 N LEU A 48 -16.631 14.513 -26.088 1.00 63.35 N ATOM 722 CA LEU A 48 -16.315 15.232 -24.859 1.00 70.20 C ATOM 723 C LEU A 48 -16.037 16.704 -25.145 1.00 64.13 C ATOM 724 O LEU A 48 -15.493 17.050 -26.195 1.00 1.15 O ATOM 725 CB LEU A 48 -15.106 14.597 -24.170 1.00 21.02 C ATOM 726 CG LEU A 48 -14.989 13.077 -24.285 1.00 34.31 C ATOM 727 CD1 LEU A 48 -16.355 12.424 -24.139 1.00 53.14 C ATOM 728 CD2 LEU A 48 -14.350 12.690 -25.610 1.00 63.43 C ATOM 0 H LEU A 48 -15.822 14.301 -26.672 1.00 63.35 H new ATOM 0 HA LEU A 48 -17.178 15.167 -24.197 1.00 70.20 H new ATOM 0 HB2 LEU A 48 -14.202 15.043 -24.584 1.00 21.02 H new ATOM 0 HB3 LEU A 48 -15.136 14.860 -23.113 1.00 21.02 H new ATOM 0 HG LEU A 48 -14.350 12.719 -23.478 1.00 34.31 H new ATOM 0 HD11 LEU A 48 -16.252 11.342 -24.224 1.00 53.14 H new ATOM 0 HD12 LEU A 48 -16.775 12.673 -23.165 1.00 53.14 H new ATOM 0 HD13 LEU A 48 -17.018 12.788 -24.924 1.00 53.14 H new ATOM 0 HD21 LEU A 48 -14.275 11.605 -25.674 1.00 63.43 H new ATOM 0 HD22 LEU A 48 -14.963 13.061 -26.432 1.00 63.43 H new ATOM 0 HD23 LEU A 48 -13.354 13.127 -25.675 1.00 63.43 H new ATOM 740 N ILE A 49 -16.411 17.565 -24.205 1.00 41.13 N ATOM 741 CA ILE A 49 -16.198 18.999 -24.356 1.00 13.34 C ATOM 742 C ILE A 49 -15.745 19.628 -23.043 1.00 2.44 C ATOM 743 O ILE A 49 -16.413 19.500 -22.017 1.00 32.33 O ATOM 744 CB ILE A 49 -17.476 19.710 -24.838 1.00 54.41 C ATOM 745 CG1 ILE A 49 -17.522 19.742 -26.367 1.00 53.01 C ATOM 746 CG2 ILE A 49 -17.544 21.121 -24.271 1.00 61.35 C ATOM 747 CD1 ILE A 49 -18.837 19.263 -26.942 1.00 41.12 C ATOM 0 H ILE A 49 -16.863 17.295 -23.331 1.00 41.13 H new ATOM 0 HA ILE A 49 -15.417 19.125 -25.106 1.00 13.34 H new ATOM 0 HB ILE A 49 -18.341 19.153 -24.478 1.00 54.41 H new ATOM 0 HG12 ILE A 49 -17.336 20.761 -26.707 1.00 53.01 H new ATOM 0 HG13 ILE A 49 -16.716 19.122 -26.760 1.00 53.01 H new ATOM 0 HG21 ILE A 49 -18.453 21.610 -24.621 1.00 61.35 H new ATOM 0 HG22 ILE A 49 -17.553 21.075 -23.182 1.00 61.35 H new ATOM 0 HG23 ILE A 49 -16.675 21.689 -24.604 1.00 61.35 H new ATOM 0 HD11 ILE A 49 -18.798 19.313 -28.030 1.00 41.12 H new ATOM 0 HD12 ILE A 49 -19.016 18.233 -26.632 1.00 41.12 H new ATOM 0 HD13 ILE A 49 -19.646 19.897 -26.578 1.00 41.12 H new ATOM 759 N PHE A 50 -14.605 20.311 -23.082 1.00 73.24 N ATOM 760 CA PHE A 50 -14.062 20.962 -21.896 1.00 31.53 C ATOM 761 C PHE A 50 -13.760 22.431 -22.172 1.00 4.41 C ATOM 762 O PHE A 50 -13.020 22.761 -23.098 1.00 72.03 O ATOM 763 CB PHE A 50 -12.792 20.246 -21.432 1.00 45.03 C ATOM 764 CG PHE A 50 -12.409 20.562 -20.014 1.00 71.45 C ATOM 765 CD1 PHE A 50 -11.849 21.787 -19.691 1.00 24.35 C ATOM 766 CD2 PHE A 50 -12.611 19.634 -19.006 1.00 24.44 C ATOM 767 CE1 PHE A 50 -11.495 22.079 -18.387 1.00 11.22 C ATOM 768 CE2 PHE A 50 -12.259 19.921 -17.700 1.00 35.41 C ATOM 769 CZ PHE A 50 -11.702 21.146 -17.390 1.00 61.41 C ATOM 0 H PHE A 50 -14.040 20.428 -23.923 1.00 73.24 H new ATOM 0 HA PHE A 50 -14.811 20.906 -21.106 1.00 31.53 H new ATOM 0 HB2 PHE A 50 -12.935 19.170 -21.530 1.00 45.03 H new ATOM 0 HB3 PHE A 50 -11.969 20.520 -22.092 1.00 45.03 H new ATOM 0 HD1 PHE A 50 -11.687 22.522 -20.466 1.00 24.35 H new ATOM 0 HD2 PHE A 50 -13.048 18.675 -19.243 1.00 24.44 H new ATOM 0 HE1 PHE A 50 -11.057 23.037 -18.148 1.00 11.22 H new ATOM 0 HE2 PHE A 50 -12.419 19.188 -16.923 1.00 35.41 H new ATOM 0 HZ PHE A 50 -11.429 21.374 -16.370 1.00 61.41 H new ATOM 779 N GLY A 51 -14.338 23.311 -21.360 1.00 53.42 N ATOM 780 CA GLY A 51 -14.120 24.736 -21.533 1.00 63.42 C ATOM 781 C GLY A 51 -14.716 25.261 -22.824 1.00 11.12 C ATOM 782 O GLY A 51 -14.472 26.404 -23.209 1.00 21.23 O ATOM 0 H GLY A 51 -14.953 23.063 -20.585 1.00 53.42 H new ATOM 0 HA2 GLY A 51 -14.557 25.272 -20.690 1.00 63.42 H new ATOM 0 HA3 GLY A 51 -13.049 24.941 -21.521 1.00 63.42 H new ATOM 786 N GLY A 52 -15.500 24.424 -23.496 1.00 73.40 N ATOM 787 CA GLY A 52 -16.119 24.828 -24.745 1.00 34.22 C ATOM 788 C GLY A 52 -15.563 24.076 -25.938 1.00 32.24 C ATOM 789 O GLY A 52 -16.265 23.856 -26.925 1.00 43.43 O ATOM 0 H GLY A 52 -15.718 23.473 -23.198 1.00 73.40 H new ATOM 0 HA2 GLY A 52 -17.195 24.662 -24.684 1.00 34.22 H new ATOM 0 HA3 GLY A 52 -15.969 25.898 -24.892 1.00 34.22 H new ATOM 793 N LYS A 53 -14.298 23.681 -25.848 1.00 63.33 N ATOM 794 CA LYS A 53 -13.646 22.949 -26.928 1.00 40.32 C ATOM 795 C LYS A 53 -13.742 21.444 -26.701 1.00 73.04 C ATOM 796 O LYS A 53 -13.732 20.978 -25.563 1.00 21.43 O ATOM 797 CB LYS A 53 -12.178 23.366 -27.041 1.00 23.14 C ATOM 798 CG LYS A 53 -11.412 23.252 -25.734 1.00 44.40 C ATOM 799 CD LYS A 53 -10.759 21.888 -25.587 1.00 11.01 C ATOM 800 CE LYS A 53 -9.688 21.666 -26.643 1.00 62.34 C ATOM 801 NZ LYS A 53 -8.476 21.012 -26.076 1.00 10.44 N ATOM 0 H LYS A 53 -13.703 23.855 -25.038 1.00 63.33 H new ATOM 0 HA LYS A 53 -14.159 23.192 -27.859 1.00 40.32 H new ATOM 0 HB2 LYS A 53 -11.690 22.747 -27.794 1.00 23.14 H new ATOM 0 HB3 LYS A 53 -12.128 24.396 -27.394 1.00 23.14 H new ATOM 0 HG2 LYS A 53 -10.648 24.029 -25.690 1.00 44.40 H new ATOM 0 HG3 LYS A 53 -12.090 23.424 -24.898 1.00 44.40 H new ATOM 0 HD2 LYS A 53 -10.317 21.800 -24.595 1.00 11.01 H new ATOM 0 HD3 LYS A 53 -11.518 21.110 -25.668 1.00 11.01 H new ATOM 0 HE2 LYS A 53 -10.092 21.049 -27.445 1.00 62.34 H new ATOM 0 HE3 LYS A 53 -9.411 22.623 -27.086 1.00 62.34 H new ATOM 0 HZ1 LYS A 53 -7.783 20.848 -26.834 1.00 10.44 H new ATOM 0 HZ2 LYS A 53 -8.056 21.628 -25.351 1.00 10.44 H new ATOM 0 HZ3 LYS A 53 -8.741 20.103 -25.646 1.00 10.44 H new ATOM 815 N GLN A 54 -13.834 20.690 -27.792 1.00 55.44 N ATOM 816 CA GLN A 54 -13.932 19.238 -27.711 1.00 24.21 C ATOM 817 C GLN A 54 -12.615 18.630 -27.240 1.00 23.22 C ATOM 818 O GLN A 54 -11.603 19.323 -27.130 1.00 45.22 O ATOM 819 CB GLN A 54 -14.319 18.654 -29.071 1.00 2.41 C ATOM 820 CG GLN A 54 -15.710 18.043 -29.097 1.00 33.34 C ATOM 821 CD GLN A 54 -16.155 17.662 -30.495 1.00 64.20 C ATOM 822 OE1 GLN A 54 -17.159 18.165 -30.999 1.00 11.35 O ATOM 823 NE2 GLN A 54 -15.406 16.768 -31.131 1.00 75.12 N ATOM 0 H GLN A 54 -13.843 21.061 -28.742 1.00 55.44 H new ATOM 0 HA GLN A 54 -14.706 18.991 -26.985 1.00 24.21 H new ATOM 0 HB2 GLN A 54 -14.262 19.440 -29.824 1.00 2.41 H new ATOM 0 HB3 GLN A 54 -13.591 17.892 -29.350 1.00 2.41 H new ATOM 0 HG2 GLN A 54 -15.726 17.158 -28.461 1.00 33.34 H new ATOM 0 HG3 GLN A 54 -16.422 18.752 -28.674 1.00 33.34 H new ATOM 0 HE21 GLN A 54 -14.582 16.377 -30.675 1.00 75.12 H new ATOM 0 HE22 GLN A 54 -15.655 16.473 -32.075 1.00 75.12 H new ATOM 832 N LEU A 55 -12.635 17.331 -26.962 1.00 25.10 N ATOM 833 CA LEU A 55 -11.442 16.629 -26.502 1.00 25.41 C ATOM 834 C LEU A 55 -11.109 15.459 -27.423 1.00 32.12 C ATOM 835 O LEU A 55 -11.963 14.621 -27.710 1.00 14.11 O ATOM 836 CB LEU A 55 -11.642 16.125 -25.071 1.00 42.34 C ATOM 837 CG LEU A 55 -12.200 17.141 -24.074 1.00 53.44 C ATOM 838 CD1 LEU A 55 -12.220 16.557 -22.671 1.00 30.53 C ATOM 839 CD2 LEU A 55 -11.384 18.425 -24.108 1.00 11.32 C ATOM 0 H LEU A 55 -13.464 16.743 -27.047 1.00 25.10 H new ATOM 0 HA LEU A 55 -10.608 17.331 -26.520 1.00 25.41 H new ATOM 0 HB2 LEU A 55 -12.314 15.267 -25.100 1.00 42.34 H new ATOM 0 HB3 LEU A 55 -10.683 15.767 -24.696 1.00 42.34 H new ATOM 0 HG LEU A 55 -13.225 17.378 -24.361 1.00 53.44 H new ATOM 0 HD11 LEU A 55 -12.620 17.295 -21.975 1.00 30.53 H new ATOM 0 HD12 LEU A 55 -12.848 15.666 -22.657 1.00 30.53 H new ATOM 0 HD13 LEU A 55 -11.206 16.291 -22.373 1.00 30.53 H new ATOM 0 HD21 LEU A 55 -11.795 19.137 -23.392 1.00 11.32 H new ATOM 0 HD22 LEU A 55 -10.349 18.205 -23.847 1.00 11.32 H new ATOM 0 HD23 LEU A 55 -11.422 18.854 -25.109 1.00 11.32 H new ATOM 851 N GLU A 56 -9.862 15.408 -27.880 1.00 40.33 N ATOM 852 CA GLU A 56 -9.417 14.340 -28.767 1.00 73.05 C ATOM 853 C GLU A 56 -9.426 12.995 -28.047 1.00 34.04 C ATOM 854 O GLU A 56 -9.791 12.910 -26.874 1.00 33.31 O ATOM 855 CB GLU A 56 -8.013 14.638 -29.297 1.00 22.22 C ATOM 856 CG GLU A 56 -7.832 14.301 -30.767 1.00 75.14 C ATOM 857 CD GLU A 56 -7.948 15.519 -31.663 1.00 72.23 C ATOM 858 OE1 GLU A 56 -8.495 16.544 -31.205 1.00 23.41 O ATOM 859 OE2 GLU A 56 -7.492 15.446 -32.824 1.00 5.44 O ATOM 0 H GLU A 56 -9.142 16.094 -27.651 1.00 40.33 H new ATOM 0 HA GLU A 56 -10.111 14.288 -29.606 1.00 73.05 H new ATOM 0 HB2 GLU A 56 -7.794 15.695 -29.146 1.00 22.22 H new ATOM 0 HB3 GLU A 56 -7.286 14.075 -28.712 1.00 22.22 H new ATOM 0 HG2 GLU A 56 -6.855 13.839 -30.913 1.00 75.14 H new ATOM 0 HG3 GLU A 56 -8.580 13.565 -31.062 1.00 75.14 H new ATOM 866 N ASP A 57 -9.023 11.947 -28.757 1.00 0.33 N ATOM 867 CA ASP A 57 -8.984 10.606 -28.186 1.00 22.02 C ATOM 868 C ASP A 57 -7.845 10.477 -27.179 1.00 10.01 C ATOM 869 O ASP A 57 -7.837 9.568 -26.349 1.00 13.34 O ATOM 870 CB ASP A 57 -8.823 9.562 -29.292 1.00 55.11 C ATOM 871 CG ASP A 57 -9.736 9.826 -30.474 1.00 31.04 C ATOM 872 OD1 ASP A 57 -10.811 10.428 -30.270 1.00 5.51 O ATOM 873 OD2 ASP A 57 -9.376 9.429 -31.602 1.00 13.20 O ATOM 0 H ASP A 57 -8.719 12.000 -29.729 1.00 0.33 H new ATOM 0 HA ASP A 57 -9.926 10.432 -27.667 1.00 22.02 H new ATOM 0 HB2 ASP A 57 -7.787 9.553 -29.631 1.00 55.11 H new ATOM 0 HB3 ASP A 57 -9.034 8.572 -28.887 1.00 55.11 H new ATOM 878 N SER A 58 -6.884 11.392 -27.260 1.00 31.15 N ATOM 879 CA SER A 58 -5.738 11.378 -26.359 1.00 24.34 C ATOM 880 C SER A 58 -5.803 12.544 -25.377 1.00 52.24 C ATOM 881 O SER A 58 -4.889 12.751 -24.581 1.00 1.41 O ATOM 882 CB SER A 58 -4.434 11.441 -27.157 1.00 31.30 C ATOM 883 OG SER A 58 -3.307 11.365 -26.301 1.00 34.43 O ATOM 0 H SER A 58 -6.877 12.152 -27.940 1.00 31.15 H new ATOM 0 HA SER A 58 -5.765 10.447 -25.792 1.00 24.34 H new ATOM 0 HB2 SER A 58 -4.404 10.622 -27.876 1.00 31.30 H new ATOM 0 HB3 SER A 58 -4.398 12.368 -27.729 1.00 31.30 H new ATOM 0 HG SER A 58 -3.452 11.936 -25.518 1.00 34.43 H new ATOM 889 N ASN A 59 -6.892 13.303 -25.442 1.00 53.24 N ATOM 890 CA ASN A 59 -7.078 14.450 -24.561 1.00 34.14 C ATOM 891 C ASN A 59 -7.559 14.004 -23.183 1.00 13.30 C ATOM 892 O ASN A 59 -8.757 14.015 -22.899 1.00 24.21 O ATOM 893 CB ASN A 59 -8.081 15.431 -25.171 1.00 14.15 C ATOM 894 CG ASN A 59 -7.411 16.478 -26.039 1.00 71.12 C ATOM 895 OD1 ASN A 59 -6.497 16.172 -26.805 1.00 3.31 O ATOM 896 ND2 ASN A 59 -7.864 17.721 -25.924 1.00 30.15 N ATOM 0 H ASN A 59 -7.659 13.144 -26.096 1.00 53.24 H new ATOM 0 HA ASN A 59 -6.116 14.949 -24.447 1.00 34.14 H new ATOM 0 HB2 ASN A 59 -8.808 14.879 -25.767 1.00 14.15 H new ATOM 0 HB3 ASN A 59 -8.634 15.925 -24.372 1.00 14.15 H new ATOM 0 HD21 ASN A 59 -7.452 18.468 -26.484 1.00 30.15 H new ATOM 0 HD22 ASN A 59 -8.624 17.929 -25.276 1.00 30.15 H new ATOM 903 N ALA A 60 -6.617 13.614 -22.331 1.00 61.10 N ATOM 904 CA ALA A 60 -6.944 13.167 -20.983 1.00 3.45 C ATOM 905 C ALA A 60 -5.680 12.878 -20.179 1.00 34.21 C ATOM 906 O ALA A 60 -5.165 13.750 -19.480 1.00 64.24 O ATOM 907 CB ALA A 60 -7.832 11.933 -21.036 1.00 0.30 C ATOM 0 H ALA A 60 -5.621 13.599 -22.551 1.00 61.10 H new ATOM 0 HA ALA A 60 -7.486 13.969 -20.483 1.00 3.45 H new ATOM 0 HB1 ALA A 60 -8.068 11.611 -20.022 1.00 0.30 H new ATOM 0 HB2 ALA A 60 -8.755 12.171 -21.565 1.00 0.30 H new ATOM 0 HB3 ALA A 60 -7.310 11.132 -21.559 1.00 0.30 H new ATOM 913 N MET A 61 -5.188 11.648 -20.282 1.00 62.15 N ATOM 914 CA MET A 61 -3.984 11.244 -19.565 1.00 10.31 C ATOM 915 C MET A 61 -2.826 12.188 -19.872 1.00 1.40 C ATOM 916 O MET A 61 -2.168 12.694 -18.963 1.00 43.42 O ATOM 917 CB MET A 61 -3.600 9.810 -19.935 1.00 53.43 C ATOM 918 CG MET A 61 -3.906 9.454 -21.381 1.00 33.51 C ATOM 919 SD MET A 61 -2.628 8.424 -22.128 1.00 32.15 S ATOM 920 CE MET A 61 -1.973 9.542 -23.364 1.00 64.41 C ATOM 0 H MET A 61 -5.604 10.914 -20.855 1.00 62.15 H new ATOM 0 HA MET A 61 -4.195 11.291 -18.497 1.00 10.31 H new ATOM 0 HB2 MET A 61 -2.535 9.669 -19.752 1.00 53.43 H new ATOM 0 HB3 MET A 61 -4.130 9.120 -19.279 1.00 53.43 H new ATOM 0 HG2 MET A 61 -4.862 8.932 -21.428 1.00 33.51 H new ATOM 0 HG3 MET A 61 -4.014 10.370 -21.962 1.00 33.51 H new ATOM 0 HE1 MET A 61 -2.129 9.119 -24.356 1.00 64.41 H new ATOM 0 HE2 MET A 61 -2.485 10.502 -23.294 1.00 64.41 H new ATOM 0 HE3 MET A 61 -0.906 9.687 -23.195 1.00 64.41 H new ATOM 930 N SER A 62 -2.583 12.421 -21.158 1.00 24.11 N ATOM 931 CA SER A 62 -1.501 13.301 -21.584 1.00 50.12 C ATOM 932 C SER A 62 -1.883 14.765 -21.388 1.00 3.11 C ATOM 933 O SER A 62 -1.032 15.606 -21.097 1.00 11.14 O ATOM 934 CB SER A 62 -1.155 13.045 -23.052 1.00 73.14 C ATOM 935 OG SER A 62 -0.508 14.167 -23.627 1.00 61.31 O ATOM 0 H SER A 62 -3.121 12.013 -21.923 1.00 24.11 H new ATOM 0 HA SER A 62 -0.627 13.086 -20.969 1.00 50.12 H new ATOM 0 HB2 SER A 62 -0.510 12.170 -23.129 1.00 73.14 H new ATOM 0 HB3 SER A 62 -2.064 12.821 -23.609 1.00 73.14 H new ATOM 0 HG SER A 62 -0.296 13.977 -24.565 1.00 61.31 H new ATOM 941 N ASP A 63 -3.167 15.062 -21.550 1.00 34.33 N ATOM 942 CA ASP A 63 -3.664 16.423 -21.390 1.00 1.54 C ATOM 943 C ASP A 63 -3.326 16.966 -20.004 1.00 61.24 C ATOM 944 O ASP A 63 -3.218 18.177 -19.810 1.00 35.21 O ATOM 945 CB ASP A 63 -5.176 16.467 -21.613 1.00 13.30 C ATOM 946 CG ASP A 63 -5.673 17.862 -21.937 1.00 55.41 C ATOM 947 OD1 ASP A 63 -5.635 18.244 -23.125 1.00 50.23 O ATOM 948 OD2 ASP A 63 -6.100 18.573 -21.003 1.00 32.35 O ATOM 0 H ASP A 63 -3.883 14.378 -21.792 1.00 34.33 H new ATOM 0 HA ASP A 63 -3.176 17.051 -22.136 1.00 1.54 H new ATOM 0 HB2 ASP A 63 -5.440 15.792 -22.427 1.00 13.30 H new ATOM 0 HB3 ASP A 63 -5.683 16.102 -20.720 1.00 13.30 H new ATOM 953 N TYR A 64 -3.160 16.062 -19.045 1.00 75.12 N ATOM 954 CA TYR A 64 -2.838 16.450 -17.677 1.00 72.50 C ATOM 955 C TYR A 64 -4.059 17.036 -16.975 1.00 52.11 C ATOM 956 O TYR A 64 -3.936 17.722 -15.961 1.00 72.31 O ATOM 957 CB TYR A 64 -1.694 17.465 -17.668 1.00 73.03 C ATOM 958 CG TYR A 64 -0.540 17.069 -16.776 1.00 65.45 C ATOM 959 CD1 TYR A 64 0.299 16.016 -17.120 1.00 64.52 C ATOM 960 CD2 TYR A 64 -0.288 17.746 -15.590 1.00 22.01 C ATOM 961 CE1 TYR A 64 1.355 15.649 -16.308 1.00 44.22 C ATOM 962 CE2 TYR A 64 0.767 17.388 -14.773 1.00 34.44 C ATOM 963 CZ TYR A 64 1.585 16.339 -15.136 1.00 21.52 C ATOM 964 OH TYR A 64 2.636 15.978 -14.324 1.00 33.53 O ATOM 0 H TYR A 64 -3.243 15.056 -19.190 1.00 75.12 H new ATOM 0 HA TYR A 64 -2.526 15.556 -17.137 1.00 72.50 H new ATOM 0 HB2 TYR A 64 -1.327 17.595 -18.686 1.00 73.03 H new ATOM 0 HB3 TYR A 64 -2.079 18.431 -17.342 1.00 73.03 H new ATOM 0 HD1 TYR A 64 0.123 15.475 -18.038 1.00 64.52 H new ATOM 0 HD2 TYR A 64 -0.928 18.567 -15.301 1.00 22.01 H new ATOM 0 HE1 TYR A 64 1.996 14.827 -16.589 1.00 44.22 H new ATOM 0 HE2 TYR A 64 0.950 17.927 -13.855 1.00 34.44 H new ATOM 0 HH TYR A 64 2.660 16.565 -13.539 1.00 33.53 H new ATOM 974 N ASN A 65 -5.238 16.760 -17.523 1.00 51.12 N ATOM 975 CA ASN A 65 -6.483 17.260 -16.951 1.00 20.43 C ATOM 976 C ASN A 65 -7.293 16.123 -16.334 1.00 41.02 C ATOM 977 O ASN A 65 -8.472 16.286 -16.019 1.00 43.02 O ATOM 978 CB ASN A 65 -7.313 17.969 -18.022 1.00 41.34 C ATOM 979 CG ASN A 65 -8.123 17.001 -18.862 1.00 33.52 C ATOM 980 OD1 ASN A 65 -7.601 15.999 -19.352 1.00 41.30 O ATOM 981 ND2 ASN A 65 -9.407 17.295 -19.031 1.00 40.32 N ATOM 0 H ASN A 65 -5.357 16.193 -18.362 1.00 51.12 H new ATOM 0 HA ASN A 65 -6.232 17.973 -16.165 1.00 20.43 H new ATOM 0 HB2 ASN A 65 -7.985 18.681 -17.544 1.00 41.34 H new ATOM 0 HB3 ASN A 65 -6.650 18.542 -18.671 1.00 41.34 H new ATOM 0 HD21 ASN A 65 -10.002 16.680 -19.585 1.00 40.32 H new ATOM 0 HD22 ASN A 65 -9.798 18.136 -18.607 1.00 40.32 H new ATOM 988 N VAL A 66 -6.652 14.971 -16.164 1.00 44.14 N ATOM 989 CA VAL A 66 -7.311 13.807 -15.584 1.00 40.41 C ATOM 990 C VAL A 66 -6.990 13.677 -14.099 1.00 44.15 C ATOM 991 O VAL A 66 -6.071 12.954 -13.715 1.00 41.20 O ATOM 992 CB VAL A 66 -6.896 12.510 -16.304 1.00 12.33 C ATOM 993 CG1 VAL A 66 -5.382 12.418 -16.408 1.00 45.43 C ATOM 994 CG2 VAL A 66 -7.464 11.297 -15.583 1.00 23.21 C ATOM 0 H VAL A 66 -5.676 14.819 -16.420 1.00 44.14 H new ATOM 0 HA VAL A 66 -8.384 13.955 -15.709 1.00 40.41 H new ATOM 0 HB VAL A 66 -7.305 12.528 -17.314 1.00 12.33 H new ATOM 0 HG11 VAL A 66 -5.108 11.495 -16.919 1.00 45.43 H new ATOM 0 HG12 VAL A 66 -5.003 13.271 -16.971 1.00 45.43 H new ATOM 0 HG13 VAL A 66 -4.948 12.421 -15.408 1.00 45.43 H new ATOM 0 HG21 VAL A 66 -7.161 10.389 -16.105 1.00 23.21 H new ATOM 0 HG22 VAL A 66 -7.086 11.271 -14.561 1.00 23.21 H new ATOM 0 HG23 VAL A 66 -8.552 11.360 -15.566 1.00 23.21 H new ATOM 1004 N GLN A 67 -7.753 14.381 -13.270 1.00 51.43 N ATOM 1005 CA GLN A 67 -7.549 14.344 -11.827 1.00 40.11 C ATOM 1006 C GLN A 67 -8.470 13.319 -11.173 1.00 63.03 C ATOM 1007 O GLN A 67 -9.222 12.621 -11.854 1.00 24.34 O ATOM 1008 CB GLN A 67 -7.793 15.727 -11.220 1.00 75.13 C ATOM 1009 CG GLN A 67 -9.200 16.254 -11.454 1.00 71.21 C ATOM 1010 CD GLN A 67 -9.212 17.687 -11.948 1.00 2.11 C ATOM 1011 OE1 GLN A 67 -8.545 18.024 -12.926 1.00 44.23 O ATOM 1012 NE2 GLN A 67 -9.973 18.540 -11.272 1.00 44.10 N ATOM 0 H GLN A 67 -8.518 14.984 -13.573 1.00 51.43 H new ATOM 0 HA GLN A 67 -6.516 14.050 -11.639 1.00 40.11 H new ATOM 0 HB2 GLN A 67 -7.604 15.682 -10.147 1.00 75.13 H new ATOM 0 HB3 GLN A 67 -7.075 16.431 -11.641 1.00 75.13 H new ATOM 0 HG2 GLN A 67 -9.705 15.619 -12.181 1.00 71.21 H new ATOM 0 HG3 GLN A 67 -9.767 16.189 -10.525 1.00 71.21 H new ATOM 0 HE21 GLN A 67 -10.510 18.217 -10.467 1.00 44.10 H new ATOM 0 HE22 GLN A 67 -10.021 19.518 -11.558 1.00 44.10 H new ATOM 1021 N LYS A 68 -8.405 13.233 -9.849 1.00 14.10 N ATOM 1022 CA LYS A 68 -9.233 12.294 -9.102 1.00 15.04 C ATOM 1023 C LYS A 68 -10.714 12.532 -9.382 1.00 21.42 C ATOM 1024 O LYS A 68 -11.518 11.601 -9.348 1.00 21.24 O ATOM 1025 CB LYS A 68 -8.960 12.423 -7.601 1.00 53.44 C ATOM 1026 CG LYS A 68 -9.495 11.261 -6.783 1.00 74.13 C ATOM 1027 CD LYS A 68 -8.737 9.977 -7.077 1.00 14.04 C ATOM 1028 CE LYS A 68 -7.404 9.938 -6.346 1.00 62.13 C ATOM 1029 NZ LYS A 68 -7.577 10.020 -4.870 1.00 34.34 N ATOM 0 H LYS A 68 -7.787 13.803 -9.271 1.00 14.10 H new ATOM 0 HA LYS A 68 -8.977 11.285 -9.426 1.00 15.04 H new ATOM 0 HB2 LYS A 68 -7.885 12.504 -7.442 1.00 53.44 H new ATOM 0 HB3 LYS A 68 -9.407 13.348 -7.237 1.00 53.44 H new ATOM 0 HG2 LYS A 68 -9.417 11.496 -5.721 1.00 74.13 H new ATOM 0 HG3 LYS A 68 -10.553 11.118 -7.001 1.00 74.13 H new ATOM 0 HD2 LYS A 68 -9.341 9.120 -6.780 1.00 14.04 H new ATOM 0 HD3 LYS A 68 -8.567 9.891 -8.150 1.00 14.04 H new ATOM 0 HE2 LYS A 68 -6.878 9.017 -6.599 1.00 62.13 H new ATOM 0 HE3 LYS A 68 -6.780 10.765 -6.685 1.00 62.13 H new ATOM 0 HZ1 LYS A 68 -6.752 9.597 -4.400 1.00 34.34 H new ATOM 0 HZ2 LYS A 68 -7.664 11.017 -4.586 1.00 34.34 H new ATOM 0 HZ3 LYS A 68 -8.436 9.504 -4.592 1.00 34.34 H new ATOM 1043 N GLU A 69 -11.066 13.783 -9.660 1.00 44.11 N ATOM 1044 CA GLU A 69 -12.450 14.141 -9.947 1.00 3.11 C ATOM 1045 C GLU A 69 -12.518 15.305 -10.931 1.00 1.41 C ATOM 1046 O GLU A 69 -12.650 16.462 -10.532 1.00 3.41 O ATOM 1047 CB GLU A 69 -13.183 14.507 -8.655 1.00 13.31 C ATOM 1048 CG GLU A 69 -12.433 15.508 -7.792 1.00 54.20 C ATOM 1049 CD GLU A 69 -13.361 16.470 -7.074 1.00 63.33 C ATOM 1050 OE1 GLU A 69 -14.521 16.091 -6.812 1.00 12.13 O ATOM 1051 OE2 GLU A 69 -12.925 17.601 -6.775 1.00 42.20 O ATOM 0 H GLU A 69 -10.412 14.565 -9.693 1.00 44.11 H new ATOM 0 HA GLU A 69 -12.936 13.277 -10.400 1.00 3.11 H new ATOM 0 HB2 GLU A 69 -14.161 14.917 -8.906 1.00 13.31 H new ATOM 0 HB3 GLU A 69 -13.357 13.600 -8.076 1.00 13.31 H new ATOM 0 HG2 GLU A 69 -11.833 14.971 -7.057 1.00 54.20 H new ATOM 0 HG3 GLU A 69 -11.741 16.074 -8.416 1.00 54.20 H new ATOM 1058 N SER A 70 -12.427 14.990 -12.219 1.00 5.11 N ATOM 1059 CA SER A 70 -12.473 16.009 -13.261 1.00 12.44 C ATOM 1060 C SER A 70 -13.877 16.124 -13.846 1.00 15.00 C ATOM 1061 O SER A 70 -14.482 15.127 -14.242 1.00 62.32 O ATOM 1062 CB SER A 70 -11.471 15.682 -14.369 1.00 74.25 C ATOM 1063 OG SER A 70 -10.676 16.810 -14.687 1.00 45.44 O ATOM 0 H SER A 70 -12.321 14.037 -12.566 1.00 5.11 H new ATOM 0 HA SER A 70 -12.206 16.965 -12.812 1.00 12.44 H new ATOM 0 HB2 SER A 70 -10.830 14.859 -14.053 1.00 74.25 H new ATOM 0 HB3 SER A 70 -12.004 15.347 -15.259 1.00 74.25 H new ATOM 0 HG SER A 70 -9.930 16.534 -15.260 1.00 45.44 H new ATOM 1069 N THR A 71 -14.392 17.349 -13.897 1.00 73.35 N ATOM 1070 CA THR A 71 -15.725 17.596 -14.433 1.00 32.43 C ATOM 1071 C THR A 71 -15.664 17.975 -15.908 1.00 21.32 C ATOM 1072 O THR A 71 -15.064 18.986 -16.275 1.00 63.22 O ATOM 1073 CB THR A 71 -16.444 18.715 -13.656 1.00 60.01 C ATOM 1074 OG1 THR A 71 -15.503 19.719 -13.261 1.00 2.14 O ATOM 1075 CG2 THR A 71 -17.144 18.157 -12.426 1.00 74.24 C ATOM 0 H THR A 71 -13.906 18.185 -13.574 1.00 73.35 H new ATOM 0 HA THR A 71 -16.287 16.668 -14.323 1.00 32.43 H new ATOM 0 HB THR A 71 -17.194 19.158 -14.311 1.00 60.01 H new ATOM 0 HG1 THR A 71 -15.968 20.428 -12.769 1.00 2.14 H new ATOM 0 HG21 THR A 71 -17.644 18.966 -11.894 1.00 74.24 H new ATOM 0 HG22 THR A 71 -17.880 17.414 -12.732 1.00 74.24 H new ATOM 0 HG23 THR A 71 -16.409 17.691 -11.769 1.00 74.24 H new ATOM 1083 N LEU A 72 -16.288 17.159 -16.750 1.00 33.11 N ATOM 1084 CA LEU A 72 -16.305 17.409 -18.187 1.00 14.50 C ATOM 1085 C LEU A 72 -17.720 17.286 -18.744 1.00 62.35 C ATOM 1086 O LEU A 72 -18.554 16.565 -18.196 1.00 10.15 O ATOM 1087 CB LEU A 72 -15.374 16.432 -18.906 1.00 52.02 C ATOM 1088 CG LEU A 72 -16.020 15.145 -19.420 1.00 23.41 C ATOM 1089 CD1 LEU A 72 -16.400 15.286 -20.886 1.00 23.04 C ATOM 1090 CD2 LEU A 72 -15.083 13.962 -19.222 1.00 5.24 C ATOM 0 H LEU A 72 -16.789 16.318 -16.462 1.00 33.11 H new ATOM 0 HA LEU A 72 -15.954 18.427 -18.358 1.00 14.50 H new ATOM 0 HB2 LEU A 72 -14.919 16.949 -19.751 1.00 52.02 H new ATOM 0 HB3 LEU A 72 -14.566 16.163 -18.225 1.00 52.02 H new ATOM 0 HG LEU A 72 -16.929 14.964 -18.846 1.00 23.41 H new ATOM 0 HD11 LEU A 72 -16.858 14.360 -21.234 1.00 23.04 H new ATOM 0 HD12 LEU A 72 -17.108 16.107 -21.001 1.00 23.04 H new ATOM 0 HD13 LEU A 72 -15.507 15.492 -21.475 1.00 23.04 H new ATOM 0 HD21 LEU A 72 -15.559 13.055 -19.593 1.00 5.24 H new ATOM 0 HD22 LEU A 72 -14.157 14.136 -19.770 1.00 5.24 H new ATOM 0 HD23 LEU A 72 -14.861 13.847 -18.161 1.00 5.24 H new ATOM 1102 N HIS A 73 -17.983 17.992 -19.840 1.00 24.42 N ATOM 1103 CA HIS A 73 -19.296 17.959 -20.474 1.00 23.41 C ATOM 1104 C HIS A 73 -19.316 16.962 -21.629 1.00 13.10 C ATOM 1105 O HIS A 73 -18.549 17.087 -22.584 1.00 64.21 O ATOM 1106 CB HIS A 73 -19.677 19.351 -20.979 1.00 23.50 C ATOM 1107 CG HIS A 73 -21.121 19.477 -21.354 1.00 13.14 C ATOM 1108 ND1 HIS A 73 -21.953 18.390 -21.524 1.00 44.31 N ATOM 1109 CD2 HIS A 73 -21.882 20.572 -21.589 1.00 71.41 C ATOM 1110 CE1 HIS A 73 -23.162 18.811 -21.850 1.00 21.40 C ATOM 1111 NE2 HIS A 73 -23.146 20.131 -21.896 1.00 20.43 N ATOM 0 H HIS A 73 -17.304 18.593 -20.307 1.00 24.42 H new ATOM 0 HA HIS A 73 -20.025 17.640 -19.729 1.00 23.41 H new ATOM 0 HB2 HIS A 73 -19.445 20.085 -20.207 1.00 23.50 H new ATOM 0 HB3 HIS A 73 -19.062 19.595 -21.845 1.00 23.50 H new ATOM 0 HD2 HIS A 73 -21.556 21.601 -21.544 1.00 71.41 H new ATOM 0 HE1 HIS A 73 -24.018 18.183 -22.046 1.00 21.40 H new ATOM 0 HE2 HIS A 73 -23.943 20.726 -22.123 1.00 20.43 H new ATOM 1119 N LEU A 74 -20.198 15.973 -21.535 1.00 54.31 N ATOM 1120 CA LEU A 74 -20.319 14.954 -22.572 1.00 3.20 C ATOM 1121 C LEU A 74 -21.635 15.100 -23.329 1.00 31.04 C ATOM 1122 O LEU A 74 -22.714 14.957 -22.753 1.00 24.34 O ATOM 1123 CB LEU A 74 -20.224 13.557 -21.955 1.00 43.55 C ATOM 1124 CG LEU A 74 -20.696 12.401 -22.837 1.00 42.03 C ATOM 1125 CD1 LEU A 74 -19.894 12.353 -24.129 1.00 31.32 C ATOM 1126 CD2 LEU A 74 -20.586 11.080 -22.089 1.00 44.43 C ATOM 0 H LEU A 74 -20.840 15.855 -20.751 1.00 54.31 H new ATOM 0 HA LEU A 74 -19.499 15.090 -23.277 1.00 3.20 H new ATOM 0 HB2 LEU A 74 -19.186 13.375 -21.676 1.00 43.55 H new ATOM 0 HB3 LEU A 74 -20.808 13.548 -21.035 1.00 43.55 H new ATOM 0 HG LEU A 74 -21.743 12.566 -23.090 1.00 42.03 H new ATOM 0 HD11 LEU A 74 -20.244 11.524 -24.744 1.00 31.32 H new ATOM 0 HD12 LEU A 74 -20.024 13.289 -24.673 1.00 31.32 H new ATOM 0 HD13 LEU A 74 -18.838 12.212 -23.897 1.00 31.32 H new ATOM 0 HD21 LEU A 74 -20.926 10.268 -22.732 1.00 44.43 H new ATOM 0 HD22 LEU A 74 -19.548 10.908 -21.806 1.00 44.43 H new ATOM 0 HD23 LEU A 74 -21.205 11.117 -21.193 1.00 44.43 H new ATOM 1138 N VAL A 75 -21.539 15.384 -24.624 1.00 31.23 N ATOM 1139 CA VAL A 75 -22.722 15.546 -25.461 1.00 21.43 C ATOM 1140 C VAL A 75 -22.837 14.413 -26.474 1.00 60.34 C ATOM 1141 O VAL A 75 -21.843 13.994 -27.070 1.00 12.22 O ATOM 1142 CB VAL A 75 -22.699 16.891 -26.211 1.00 31.42 C ATOM 1143 CG1 VAL A 75 -22.979 18.040 -25.255 1.00 0.22 C ATOM 1144 CG2 VAL A 75 -21.365 17.085 -26.915 1.00 63.20 C ATOM 0 H VAL A 75 -20.654 15.507 -25.116 1.00 31.23 H new ATOM 0 HA VAL A 75 -23.586 15.524 -24.796 1.00 21.43 H new ATOM 0 HB VAL A 75 -23.484 16.880 -26.967 1.00 31.42 H new ATOM 0 HG11 VAL A 75 -22.959 18.982 -25.803 1.00 0.22 H new ATOM 0 HG12 VAL A 75 -23.961 17.905 -24.802 1.00 0.22 H new ATOM 0 HG13 VAL A 75 -22.218 18.058 -24.475 1.00 0.22 H new ATOM 0 HG21 VAL A 75 -21.366 18.040 -27.440 1.00 63.20 H new ATOM 0 HG22 VAL A 75 -20.561 17.076 -26.179 1.00 63.20 H new ATOM 0 HG23 VAL A 75 -21.211 16.278 -27.631 1.00 63.20 H new ATOM 1154 N LEU A 76 -24.056 13.920 -26.667 1.00 25.03 N ATOM 1155 CA LEU A 76 -24.302 12.835 -27.610 1.00 21.42 C ATOM 1156 C LEU A 76 -25.355 13.235 -28.638 1.00 13.12 C ATOM 1157 O LEU A 76 -26.368 13.847 -28.297 1.00 44.45 O ATOM 1158 CB LEU A 76 -24.752 11.577 -26.864 1.00 55.23 C ATOM 1159 CG LEU A 76 -24.477 11.553 -25.360 1.00 42.55 C ATOM 1160 CD1 LEU A 76 -25.622 12.200 -24.598 1.00 14.15 C ATOM 1161 CD2 LEU A 76 -24.253 10.126 -24.882 1.00 0.52 C ATOM 0 H LEU A 76 -24.889 14.255 -26.183 1.00 25.03 H new ATOM 0 HA LEU A 76 -23.370 12.625 -28.135 1.00 21.42 H new ATOM 0 HB2 LEU A 76 -25.824 11.451 -27.019 1.00 55.23 H new ATOM 0 HB3 LEU A 76 -24.261 10.716 -27.316 1.00 55.23 H new ATOM 0 HG LEU A 76 -23.570 12.126 -25.166 1.00 42.55 H new ATOM 0 HD11 LEU A 76 -25.409 12.174 -23.529 1.00 14.15 H new ATOM 0 HD12 LEU A 76 -25.734 13.235 -24.920 1.00 14.15 H new ATOM 0 HD13 LEU A 76 -26.545 11.656 -24.797 1.00 14.15 H new ATOM 0 HD21 LEU A 76 -24.059 10.128 -23.809 1.00 0.52 H new ATOM 0 HD22 LEU A 76 -25.141 9.529 -25.089 1.00 0.52 H new ATOM 0 HD23 LEU A 76 -23.398 9.697 -25.405 1.00 0.52 H new ATOM 1173 N ARG A 77 -25.111 12.883 -29.896 1.00 3.42 N ATOM 1174 CA ARG A 77 -26.039 13.205 -30.973 1.00 45.23 C ATOM 1175 C ARG A 77 -26.915 12.003 -31.313 1.00 40.32 C ATOM 1176 O ARG A 77 -27.106 11.672 -32.484 1.00 61.21 O ATOM 1177 CB ARG A 77 -25.272 13.659 -32.217 1.00 22.30 C ATOM 1178 CG ARG A 77 -24.248 12.646 -32.704 1.00 50.41 C ATOM 1179 CD ARG A 77 -22.835 13.202 -32.626 1.00 25.44 C ATOM 1180 NE ARG A 77 -22.505 14.025 -33.786 1.00 3.23 N ATOM 1181 CZ ARG A 77 -22.124 13.527 -34.957 1.00 22.45 C ATOM 1182 NH1 ARG A 77 -22.026 12.215 -35.122 1.00 24.22 N ATOM 1183 NH2 ARG A 77 -21.841 14.341 -35.965 1.00 63.12 N ATOM 0 H ARG A 77 -24.278 12.375 -30.194 1.00 3.42 H new ATOM 0 HA ARG A 77 -26.682 14.017 -30.634 1.00 45.23 H new ATOM 0 HB2 ARG A 77 -25.983 13.859 -33.019 1.00 22.30 H new ATOM 0 HB3 ARG A 77 -24.765 14.599 -31.998 1.00 22.30 H new ATOM 0 HG2 ARG A 77 -24.317 11.739 -32.103 1.00 50.41 H new ATOM 0 HG3 ARG A 77 -24.473 12.365 -33.733 1.00 50.41 H new ATOM 0 HD2 ARG A 77 -22.729 13.796 -31.718 1.00 25.44 H new ATOM 0 HD3 ARG A 77 -22.125 12.378 -32.552 1.00 25.44 H new ATOM 0 HE ARG A 77 -22.571 15.039 -33.692 1.00 3.23 H new ATOM 0 HH11 ARG A 77 -22.243 11.586 -34.349 1.00 24.22 H new ATOM 0 HH12 ARG A 77 -21.733 11.835 -36.022 1.00 24.22 H new ATOM 0 HH21 ARG A 77 -21.916 15.351 -35.842 1.00 63.12 H new ATOM 0 HH22 ARG A 77 -21.549 13.957 -36.864 1.00 63.12 H new