USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 915 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 87 MET CE :methyl -130:sc= -0.514 (180deg=-2.54!) USER MOD Set 1.2: A 93 MET CE :methyl -173:sc= 0 (180deg=0) USER MOD Set 2.1: A 61 ASN : amide:sc= -1.66 K(o=-2.3,f=-4.2) USER MOD Set 2.2: A 66 THR OG1 : rot 176:sc= -0.631! USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 33 THR OG1 : rot 79:sc= 0.733 USER MOD Single : A 10 TYR OH : rot 30:sc= -1.05 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0185 X(o=-0.019,f=-0.52) USER MOD Single : A 15 CYS SG : rot 170:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 153:sc= -0.191 (180deg=-1.28) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.494 K(o=-0.49,f=-2.2) USER MOD Single : A 32 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.395 K(o=-0.39,f=-3.8!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 152:sc= -0.904 USER MOD Single : A 52 LYS NZ :NH3+ -134:sc= -0.24 (180deg=-1.84!) USER MOD Single : A 53 THR OG1 : rot 81:sc= 0.447 USER MOD Single : A 58 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.48) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.157 X(o=0.16,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -151:sc= -0.166 (180deg=-0.503) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc=-0.00928 X(o=-0.0093,f=-0.0093) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 7 0.298 0.572 -18.000 1.00 10.34 N ATOM 69 CA VAL A 7 0.733 -0.614 -18.726 1.00 2.44 C ATOM 70 C VAL A 7 -0.359 -1.114 -19.665 1.00 5.32 C ATOM 71 O VAL A 7 -1.478 -1.404 -19.237 1.00 24.25 O ATOM 72 CB VAL A 7 1.127 -1.750 -17.764 1.00 52.12 C ATOM 73 CG1 VAL A 7 -0.024 -2.078 -16.825 1.00 54.24 C ATOM 74 CG2 VAL A 7 1.558 -2.983 -18.544 1.00 43.52 C ATOM 0 HA VAL A 7 1.607 -0.324 -19.310 1.00 2.44 H new ATOM 0 HB VAL A 7 1.972 -1.416 -17.161 1.00 52.12 H new ATOM 0 HG11 VAL A 7 0.273 -2.883 -16.153 1.00 54.24 H new ATOM 0 HG12 VAL A 7 -0.281 -1.194 -16.241 1.00 54.24 H new ATOM 0 HG13 VAL A 7 -0.890 -2.393 -17.407 1.00 54.24 H new ATOM 0 HG21 VAL A 7 1.833 -3.776 -17.848 1.00 43.52 H new ATOM 0 HG22 VAL A 7 0.735 -3.322 -19.173 1.00 43.52 H new ATOM 0 HG23 VAL A 7 2.415 -2.736 -19.170 1.00 43.52 H new ATOM 84 N THR A 8 -0.029 -1.215 -20.949 1.00 15.13 N ATOM 85 CA THR A 8 -0.982 -1.680 -21.949 1.00 55.12 C ATOM 86 C THR A 8 -0.484 -2.946 -22.636 1.00 32.31 C ATOM 87 O THR A 8 0.698 -3.066 -22.956 1.00 11.22 O ATOM 88 CB THR A 8 -1.247 -0.600 -23.016 1.00 32.32 C ATOM 89 OG1 THR A 8 -1.783 0.576 -22.400 1.00 2.03 O ATOM 90 CG2 THR A 8 -2.216 -1.112 -24.072 1.00 55.11 C ATOM 0 H THR A 8 0.892 -0.981 -21.321 1.00 15.13 H new ATOM 0 HA THR A 8 -1.912 -1.897 -21.423 1.00 55.12 H new ATOM 0 HB THR A 8 -0.301 -0.357 -23.499 1.00 32.32 H new ATOM 0 HG1 THR A 8 -1.947 1.258 -23.084 1.00 2.03 H new ATOM 0 HG21 THR A 8 -2.389 -0.334 -24.815 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.793 -1.991 -24.559 1.00 55.11 H new ATOM 0 HG23 THR A 8 -3.161 -1.379 -23.600 1.00 55.11 H new ATOM 98 N ILE A 9 -1.393 -3.888 -22.861 1.00 40.31 N ATOM 99 CA ILE A 9 -1.046 -5.145 -23.512 1.00 3.44 C ATOM 100 C ILE A 9 -1.742 -5.275 -24.863 1.00 62.44 C ATOM 101 O ILE A 9 -2.923 -4.954 -24.998 1.00 5.32 O ATOM 102 CB ILE A 9 -1.420 -6.355 -22.636 1.00 0.54 C ATOM 103 CG1 ILE A 9 -1.080 -7.660 -23.359 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.897 -6.312 -22.276 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.354 -8.897 -22.533 1.00 32.30 C ATOM 0 H ILE A 9 -2.376 -3.805 -22.602 1.00 40.31 H new ATOM 0 HA ILE A 9 0.034 -5.135 -23.662 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.840 -6.311 -21.714 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.656 -7.715 -24.283 1.00 33.21 H new ATOM 0 HG13 ILE A 9 -0.027 -7.647 -23.640 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -3.146 -7.174 -21.657 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -3.111 -5.396 -21.726 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.494 -6.336 -23.187 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.090 -9.784 -23.108 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.758 -8.865 -21.621 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.412 -8.934 -22.274 1.00 32.30 H new ATOM 117 N TYR A 10 -1.003 -5.750 -25.859 1.00 4.54 N ATOM 118 CA TYR A 10 -1.548 -5.922 -27.200 1.00 30.24 C ATOM 119 C TYR A 10 -1.784 -7.398 -27.507 1.00 22.21 C ATOM 120 O TYR A 10 -0.925 -8.241 -27.253 1.00 41.11 O ATOM 121 CB TYR A 10 -0.603 -5.319 -28.240 1.00 22.32 C ATOM 122 CG TYR A 10 -0.272 -3.866 -27.985 1.00 34.41 C ATOM 123 CD1 TYR A 10 -1.271 -2.944 -27.700 1.00 54.11 C ATOM 124 CD2 TYR A 10 1.042 -3.414 -28.033 1.00 15.21 C ATOM 125 CE1 TYR A 10 -0.974 -1.616 -27.467 1.00 20.31 C ATOM 126 CE2 TYR A 10 1.348 -2.087 -27.801 1.00 22.30 C ATOM 127 CZ TYR A 10 0.337 -1.191 -27.518 1.00 60.44 C ATOM 128 OH TYR A 10 0.639 0.131 -27.288 1.00 41.33 O ATOM 0 H TYR A 10 -0.025 -6.023 -25.763 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.505 -5.402 -27.244 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.321 -5.896 -28.257 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -1.055 -5.412 -29.227 1.00 22.32 H new ATOM 0 HD1 TYR A 10 -2.299 -3.272 -27.660 1.00 54.11 H new ATOM 0 HD2 TYR A 10 1.836 -4.111 -28.255 1.00 15.21 H new ATOM 0 HE1 TYR A 10 -1.764 -0.914 -27.246 1.00 20.31 H new ATOM 0 HE2 TYR A 10 2.374 -1.752 -27.841 1.00 22.30 H new ATOM 0 HH TYR A 10 -0.020 0.515 -26.672 1.00 41.33 H new ATOM 138 N GLY A 11 -2.956 -7.702 -28.055 1.00 41.24 N ATOM 139 CA GLY A 11 -3.286 -9.076 -28.388 1.00 3.41 C ATOM 140 C GLY A 11 -4.377 -9.173 -29.436 1.00 42.14 C ATOM 141 O GLY A 11 -4.746 -8.172 -30.052 1.00 61.14 O ATOM 0 H GLY A 11 -3.683 -7.021 -28.275 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.392 -9.583 -28.751 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.605 -9.598 -27.486 1.00 3.41 H new ATOM 145 N ILE A 12 -4.894 -10.379 -29.641 1.00 0.23 N ATOM 146 CA ILE A 12 -5.948 -10.603 -30.622 1.00 21.20 C ATOM 147 C ILE A 12 -7.035 -11.514 -30.063 1.00 0.25 C ATOM 148 O ILE A 12 -6.901 -12.059 -28.967 1.00 72.24 O ATOM 149 CB ILE A 12 -5.390 -11.221 -31.917 1.00 70.51 C ATOM 150 CG1 ILE A 12 -4.686 -12.546 -31.613 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.436 -10.252 -32.599 1.00 63.31 C ATOM 152 CD1 ILE A 12 -4.742 -13.536 -32.755 1.00 42.40 C ATOM 0 H ILE A 12 -4.600 -11.217 -29.140 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.378 -9.628 -30.851 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.220 -11.419 -32.595 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -3.643 -12.346 -31.367 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.141 -12.996 -30.730 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.050 -10.704 -33.513 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.966 -9.332 -32.845 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.607 -10.025 -31.929 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.223 -14.451 -32.469 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.782 -13.766 -32.987 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -4.261 -13.106 -33.633 1.00 42.40 H new ATOM 164 N LYS A 13 -8.111 -11.679 -30.825 1.00 73.52 N ATOM 165 CA LYS A 13 -9.220 -12.528 -30.409 1.00 71.53 C ATOM 166 C LYS A 13 -9.239 -13.829 -31.205 1.00 42.41 C ATOM 167 O LYS A 13 -10.303 -14.356 -31.527 1.00 70.40 O ATOM 168 CB LYS A 13 -10.550 -11.790 -30.589 1.00 10.01 C ATOM 169 CG LYS A 13 -10.730 -10.622 -29.635 1.00 12.21 C ATOM 170 CD LYS A 13 -11.990 -9.834 -29.951 1.00 11.45 C ATOM 171 CE LYS A 13 -13.239 -10.575 -29.500 1.00 71.10 C ATOM 172 NZ LYS A 13 -14.480 -9.952 -30.040 1.00 71.14 N ATOM 0 H LYS A 13 -8.238 -11.235 -31.735 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.083 -12.769 -29.355 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.618 -11.425 -31.614 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -11.369 -12.495 -30.446 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -10.778 -10.992 -28.611 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -9.863 -9.964 -29.696 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -11.945 -8.862 -29.460 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -12.044 -9.647 -31.023 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -13.183 -11.614 -29.826 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -13.282 -10.585 -28.411 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -15.309 -10.486 -29.710 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -14.547 -8.969 -29.708 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -14.451 -9.965 -31.080 1.00 71.14 H new ATOM 186 N ASN A 14 -8.053 -14.343 -31.518 1.00 14.55 N ATOM 187 CA ASN A 14 -7.933 -15.583 -32.275 1.00 43.33 C ATOM 188 C ASN A 14 -6.758 -16.416 -31.772 1.00 4.54 C ATOM 189 O ASN A 14 -5.966 -16.931 -32.562 1.00 13.15 O ATOM 190 CB ASN A 14 -7.758 -15.281 -33.765 1.00 12.44 C ATOM 191 CG ASN A 14 -9.070 -14.938 -34.443 1.00 1.15 C ATOM 192 OD1 ASN A 14 -10.087 -15.594 -34.220 1.00 11.24 O ATOM 193 ND2 ASN A 14 -9.052 -13.905 -35.277 1.00 4.23 N ATOM 0 H ASN A 14 -7.162 -13.919 -31.259 1.00 14.55 H new ATOM 0 HA ASN A 14 -8.849 -16.156 -32.133 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -7.062 -14.451 -33.885 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -7.312 -16.145 -34.258 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -9.905 -13.627 -35.763 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -8.186 -13.389 -35.432 1.00 4.23 H new ATOM 200 N CYS A 15 -6.652 -16.544 -30.454 1.00 13.42 N ATOM 201 CA CYS A 15 -5.574 -17.314 -29.845 1.00 5.12 C ATOM 202 C CYS A 15 -5.973 -17.806 -28.458 1.00 45.42 C ATOM 203 O CYS A 15 -6.964 -17.349 -27.888 1.00 62.11 O ATOM 204 CB CYS A 15 -4.303 -16.468 -29.752 1.00 22.14 C ATOM 205 SG CYS A 15 -2.772 -17.413 -29.923 1.00 2.24 S ATOM 0 H CYS A 15 -7.300 -16.124 -29.787 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.380 -18.181 -30.477 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -4.332 -15.701 -30.526 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -4.293 -15.951 -28.792 1.00 22.14 H new ATOM 0 HG CYS A 15 -1.769 -16.595 -30.045 1.00 2.24 H new ATOM 211 N ASP A 16 -5.198 -18.742 -27.921 1.00 14.03 N ATOM 212 CA ASP A 16 -5.471 -19.297 -26.601 1.00 11.23 C ATOM 213 C ASP A 16 -4.537 -18.697 -25.555 1.00 34.34 C ATOM 214 O ASP A 16 -4.921 -18.503 -24.401 1.00 45.12 O ATOM 215 CB ASP A 16 -5.322 -20.819 -26.623 1.00 50.21 C ATOM 216 CG ASP A 16 -4.101 -21.270 -27.402 1.00 54.43 C ATOM 217 OD1 ASP A 16 -3.014 -21.367 -26.795 1.00 34.04 O ATOM 218 OD2 ASP A 16 -4.232 -21.524 -28.617 1.00 34.14 O ATOM 0 H ASP A 16 -4.375 -19.132 -28.380 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.497 -19.044 -26.333 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -5.254 -21.189 -25.600 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.215 -21.262 -27.064 1.00 50.21 H new ATOM 223 N THR A 17 -3.306 -18.406 -25.966 1.00 62.21 N ATOM 224 CA THR A 17 -2.316 -17.831 -25.064 1.00 10.24 C ATOM 225 C THR A 17 -2.868 -16.601 -24.353 1.00 43.54 C ATOM 226 O THR A 17 -2.579 -16.368 -23.179 1.00 32.13 O ATOM 227 CB THR A 17 -1.030 -17.440 -25.817 1.00 64.53 C ATOM 228 OG1 THR A 17 -0.515 -18.572 -26.528 1.00 51.14 O ATOM 229 CG2 THR A 17 0.024 -16.916 -24.854 1.00 13.05 C ATOM 0 H THR A 17 -2.971 -18.559 -26.917 1.00 62.21 H new ATOM 0 HA THR A 17 -2.078 -18.598 -24.326 1.00 10.24 H new ATOM 0 HB THR A 17 -1.276 -16.649 -26.525 1.00 64.53 H new ATOM 0 HG1 THR A 17 0.301 -18.315 -27.005 1.00 51.14 H new ATOM 0 HG21 THR A 17 0.922 -16.647 -25.409 1.00 13.05 H new ATOM 0 HG22 THR A 17 -0.360 -16.037 -24.337 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.266 -17.689 -24.124 1.00 13.05 H new ATOM 237 N MET A 18 -3.666 -15.817 -25.070 1.00 61.22 N ATOM 238 CA MET A 18 -4.261 -14.610 -24.506 1.00 4.42 C ATOM 239 C MET A 18 -4.993 -14.923 -23.205 1.00 72.34 C ATOM 240 O MET A 18 -4.900 -14.174 -22.233 1.00 54.40 O ATOM 241 CB MET A 18 -5.226 -13.975 -25.509 1.00 41.43 C ATOM 242 CG MET A 18 -4.683 -12.714 -26.161 1.00 42.31 C ATOM 243 SD MET A 18 -5.332 -11.209 -25.409 1.00 61.21 S ATOM 244 CE MET A 18 -3.817 -10.428 -24.856 1.00 35.43 C ATOM 0 H MET A 18 -3.916 -15.995 -26.043 1.00 61.22 H new ATOM 0 HA MET A 18 -3.458 -13.905 -24.290 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.461 -14.703 -26.285 1.00 41.43 H new ATOM 0 HB3 MET A 18 -6.161 -13.738 -25.001 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.595 -12.712 -26.089 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.932 -12.722 -27.222 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.957 -9.348 -24.819 1.00 35.43 H new ATOM 0 HE2 MET A 18 -3.560 -10.795 -23.862 1.00 35.43 H new ATOM 0 HE3 MET A 18 -3.011 -10.666 -25.550 1.00 35.43 H new ATOM 254 N LYS A 19 -5.721 -16.035 -23.194 1.00 34.45 N ATOM 255 CA LYS A 19 -6.469 -16.448 -22.012 1.00 44.21 C ATOM 256 C LYS A 19 -5.545 -16.597 -20.808 1.00 43.12 C ATOM 257 O LYS A 19 -5.804 -16.042 -19.740 1.00 22.52 O ATOM 258 CB LYS A 19 -7.194 -17.770 -22.278 1.00 42.21 C ATOM 259 CG LYS A 19 -8.159 -18.166 -21.174 1.00 0.44 C ATOM 260 CD LYS A 19 -9.347 -18.937 -21.723 1.00 30.12 C ATOM 261 CE LYS A 19 -8.996 -20.395 -21.981 1.00 54.50 C ATOM 262 NZ LYS A 19 -10.098 -21.117 -22.672 1.00 12.14 N ATOM 0 H LYS A 19 -5.809 -16.666 -23.990 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.205 -15.675 -21.790 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.742 -17.692 -23.217 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.455 -18.561 -22.405 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -7.638 -18.776 -20.435 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.511 -17.272 -20.659 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -10.176 -18.881 -21.017 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.686 -18.474 -22.650 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -8.091 -20.449 -22.586 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -8.776 -20.889 -21.034 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -9.820 -22.107 -22.829 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -10.955 -21.088 -22.083 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -10.291 -20.662 -23.587 1.00 12.14 H new ATOM 276 N LYS A 20 -4.463 -17.347 -20.987 1.00 34.44 N ATOM 277 CA LYS A 20 -3.497 -17.567 -19.916 1.00 13.54 C ATOM 278 C LYS A 20 -2.901 -16.245 -19.442 1.00 54.33 C ATOM 279 O LYS A 20 -2.749 -16.016 -18.242 1.00 71.32 O ATOM 280 CB LYS A 20 -2.383 -18.501 -20.391 1.00 51.40 C ATOM 281 CG LYS A 20 -2.892 -19.755 -21.079 1.00 41.13 C ATOM 282 CD LYS A 20 -1.781 -20.773 -21.280 1.00 21.45 C ATOM 283 CE LYS A 20 -2.283 -22.011 -22.007 1.00 33.50 C ATOM 284 NZ LYS A 20 -2.795 -23.040 -21.060 1.00 30.33 N ATOM 0 H LYS A 20 -4.232 -17.813 -21.864 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.018 -18.031 -19.079 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -1.734 -17.958 -21.078 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -1.772 -18.789 -19.535 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -3.690 -20.199 -20.484 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -3.324 -19.491 -22.044 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -0.970 -20.320 -21.849 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -1.370 -21.060 -20.312 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -3.075 -21.729 -22.700 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -1.475 -22.435 -22.602 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -3.128 -23.868 -21.594 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -2.032 -23.328 -20.415 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -3.583 -22.643 -20.509 1.00 30.33 H new ATOM 298 N ALA A 21 -2.565 -15.378 -20.392 1.00 53.12 N ATOM 299 CA ALA A 21 -1.989 -14.079 -20.071 1.00 1.22 C ATOM 300 C ALA A 21 -2.915 -13.275 -19.166 1.00 43.50 C ATOM 301 O ALA A 21 -2.496 -12.769 -18.125 1.00 22.15 O ATOM 302 CB ALA A 21 -1.690 -13.304 -21.346 1.00 20.30 C ATOM 0 H ALA A 21 -2.682 -15.552 -21.390 1.00 53.12 H new ATOM 0 HA ALA A 21 -1.056 -14.247 -19.534 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -1.260 -12.335 -21.091 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.982 -13.866 -21.956 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -2.613 -13.155 -21.906 1.00 20.30 H new ATOM 308 N ARG A 22 -4.177 -13.162 -19.569 1.00 25.34 N ATOM 309 CA ARG A 22 -5.163 -12.417 -18.795 1.00 62.34 C ATOM 310 C ARG A 22 -5.323 -13.016 -17.401 1.00 32.15 C ATOM 311 O ARG A 22 -5.304 -12.299 -16.401 1.00 70.51 O ATOM 312 CB ARG A 22 -6.510 -12.411 -19.518 1.00 44.13 C ATOM 313 CG ARG A 22 -6.466 -11.747 -20.885 1.00 55.33 C ATOM 314 CD ARG A 22 -6.315 -10.239 -20.767 1.00 32.33 C ATOM 315 NE ARG A 22 -4.919 -9.840 -20.595 1.00 60.44 N ATOM 316 CZ ARG A 22 -4.547 -8.669 -20.092 1.00 11.23 C ATOM 317 NH1 ARG A 22 -5.459 -7.786 -19.712 1.00 3.41 N ATOM 318 NH2 ARG A 22 -3.257 -8.380 -19.967 1.00 10.54 N ATOM 0 H ARG A 22 -4.540 -13.577 -20.427 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.810 -11.391 -18.692 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.855 -13.438 -19.634 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -7.243 -11.896 -18.897 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.635 -12.153 -21.461 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -7.378 -11.981 -21.434 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -6.721 -9.763 -21.660 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -6.901 -9.881 -19.921 1.00 32.33 H new ATOM 0 HE ARG A 22 -4.191 -10.497 -20.877 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -6.451 -8.005 -19.805 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -5.169 -6.887 -19.326 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -2.552 -9.058 -20.257 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -2.971 -7.480 -19.581 1.00 10.54 H new ATOM 332 N ILE A 23 -5.484 -14.334 -17.344 1.00 34.41 N ATOM 333 CA ILE A 23 -5.647 -15.029 -16.073 1.00 74.45 C ATOM 334 C ILE A 23 -4.455 -14.784 -15.155 1.00 44.23 C ATOM 335 O ILE A 23 -4.608 -14.667 -13.940 1.00 42.13 O ATOM 336 CB ILE A 23 -5.820 -16.546 -16.279 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.048 -16.828 -17.146 1.00 24.30 C ATOM 338 CG2 ILE A 23 -5.939 -17.251 -14.936 1.00 3.12 C ATOM 339 CD1 ILE A 23 -6.971 -18.141 -17.894 1.00 52.43 C ATOM 0 H ILE A 23 -5.505 -14.942 -18.163 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.548 -14.629 -15.608 1.00 74.45 H new ATOM 0 HB ILE A 23 -4.940 -16.932 -16.794 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -7.936 -16.831 -16.514 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.170 -16.017 -17.864 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.061 -18.322 -15.097 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.037 -17.072 -14.350 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -6.804 -16.864 -14.398 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -7.875 -18.275 -18.488 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.102 -18.134 -18.552 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -6.880 -18.961 -17.181 1.00 52.43 H new ATOM 351 N TRP A 24 -3.268 -14.707 -15.745 1.00 31.51 N ATOM 352 CA TRP A 24 -2.048 -14.474 -14.980 1.00 62.05 C ATOM 353 C TRP A 24 -2.037 -13.069 -14.388 1.00 74.25 C ATOM 354 O TRP A 24 -1.899 -12.898 -13.176 1.00 4.31 O ATOM 355 CB TRP A 24 -0.818 -14.676 -15.868 1.00 3.42 C ATOM 356 CG TRP A 24 0.361 -15.234 -15.130 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.728 -16.547 -15.045 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.326 -14.496 -14.372 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.863 -16.669 -14.279 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.251 -15.425 -13.857 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.500 -13.140 -14.082 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.330 -15.040 -13.067 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.573 -12.760 -13.297 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.477 -13.706 -12.798 1.00 64.41 C ATOM 0 H TRP A 24 -3.124 -14.802 -16.750 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.019 -15.193 -14.162 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.076 -15.347 -16.687 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.540 -13.721 -16.314 1.00 3.42 H new ATOM 0 HD1 TRP A 24 0.204 -17.368 -15.511 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.339 -17.544 -14.060 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.809 -12.403 -14.464 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 4.027 -15.768 -12.680 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.716 -11.715 -13.065 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.306 -13.377 -12.189 1.00 64.41 H new ATOM 375 N LEU A 25 -2.183 -12.068 -15.248 1.00 11.33 N ATOM 376 CA LEU A 25 -2.191 -10.676 -14.808 1.00 44.32 C ATOM 377 C LEU A 25 -3.334 -10.420 -13.832 1.00 51.32 C ATOM 378 O LEU A 25 -3.177 -9.687 -12.857 1.00 43.22 O ATOM 379 CB LEU A 25 -2.313 -9.741 -16.013 1.00 70.24 C ATOM 380 CG LEU A 25 -1.003 -9.369 -16.709 1.00 60.23 C ATOM 381 CD1 LEU A 25 -0.136 -8.518 -15.794 1.00 21.14 C ATOM 382 CD2 LEU A 25 -0.255 -10.620 -17.144 1.00 3.23 C ATOM 0 H LEU A 25 -2.297 -12.193 -16.254 1.00 11.33 H new ATOM 0 HA LEU A 25 -1.250 -10.477 -14.295 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.970 -10.209 -16.746 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.802 -8.823 -15.687 1.00 70.24 H new ATOM 0 HG LEU A 25 -1.240 -8.785 -17.598 1.00 60.23 H new ATOM 0 HD11 LEU A 25 0.792 -8.263 -16.306 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.670 -7.604 -15.533 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.092 -9.076 -14.886 1.00 21.14 H new ATOM 0 HD21 LEU A 25 0.674 -10.335 -17.637 1.00 3.23 H new ATOM 0 HD22 LEU A 25 -0.030 -11.231 -16.270 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.873 -11.191 -17.837 1.00 3.23 H new ATOM 394 N GLU A 26 -4.483 -11.030 -14.102 1.00 61.23 N ATOM 395 CA GLU A 26 -5.653 -10.868 -13.246 1.00 64.31 C ATOM 396 C GLU A 26 -5.441 -11.555 -11.901 1.00 74.22 C ATOM 397 O GLU A 26 -5.738 -10.989 -10.848 1.00 53.23 O ATOM 398 CB GLU A 26 -6.897 -11.437 -13.932 1.00 32.45 C ATOM 399 CG GLU A 26 -7.449 -10.544 -15.031 1.00 31.13 C ATOM 400 CD GLU A 26 -8.829 -10.969 -15.490 1.00 44.21 C ATOM 401 OE1 GLU A 26 -9.797 -10.760 -14.730 1.00 13.03 O ATOM 402 OE2 GLU A 26 -8.941 -11.511 -16.609 1.00 61.24 O ATOM 0 H GLU A 26 -4.629 -11.641 -14.906 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.799 -9.802 -13.071 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -6.654 -12.412 -14.355 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -7.672 -11.599 -13.183 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -7.490 -9.516 -14.672 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -6.767 -10.557 -15.881 1.00 31.13 H new ATOM 409 N ASP A 27 -4.928 -12.780 -11.942 1.00 34.31 N ATOM 410 CA ASP A 27 -4.675 -13.546 -10.727 1.00 72.41 C ATOM 411 C ASP A 27 -3.710 -12.803 -9.808 1.00 33.14 C ATOM 412 O ASP A 27 -3.920 -12.732 -8.596 1.00 3.11 O ATOM 413 CB ASP A 27 -4.112 -14.923 -11.075 1.00 42.32 C ATOM 414 CG ASP A 27 -3.918 -15.796 -9.849 1.00 63.52 C ATOM 415 OD1 ASP A 27 -4.762 -15.726 -8.931 1.00 71.12 O ATOM 416 OD2 ASP A 27 -2.924 -16.549 -9.809 1.00 45.10 O ATOM 0 H ASP A 27 -4.679 -13.264 -12.805 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.622 -13.673 -10.202 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -4.786 -15.423 -11.770 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.157 -14.803 -11.587 1.00 42.32 H new ATOM 421 N HIS A 28 -2.649 -12.255 -10.392 1.00 21.13 N ATOM 422 CA HIS A 28 -1.650 -11.519 -9.625 1.00 13.54 C ATOM 423 C HIS A 28 -2.245 -10.240 -9.044 1.00 43.42 C ATOM 424 O HIS A 28 -1.681 -9.641 -8.129 1.00 0.32 O ATOM 425 CB HIS A 28 -0.447 -11.181 -10.507 1.00 14.43 C ATOM 426 CG HIS A 28 0.775 -10.798 -9.730 1.00 55.54 C ATOM 427 ND1 HIS A 28 0.943 -9.557 -9.155 1.00 12.03 N ATOM 428 CD2 HIS A 28 1.893 -11.502 -9.436 1.00 71.45 C ATOM 429 CE1 HIS A 28 2.111 -9.513 -8.541 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.708 -10.681 -8.696 1.00 21.13 N ATOM 0 H HIS A 28 -2.459 -12.307 -11.393 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.321 -12.152 -8.801 1.00 13.54 H new ATOM 0 HB2 HIS A 28 -0.214 -12.041 -11.135 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.715 -10.362 -11.175 1.00 14.43 H new ATOM 0 HD2 HIS A 28 2.105 -12.520 -9.729 1.00 71.45 H new ATOM 0 HE1 HIS A 28 2.510 -8.666 -8.003 1.00 24.52 H new ATOM 0 HE2 HIS A 28 3.625 -10.932 -8.326 1.00 21.13 H new ATOM 438 N GLY A 29 -3.387 -9.825 -9.583 1.00 43.32 N ATOM 439 CA GLY A 29 -4.039 -8.619 -9.107 1.00 61.30 C ATOM 440 C GLY A 29 -3.425 -7.361 -9.686 1.00 13.24 C ATOM 441 O GLY A 29 -3.301 -6.349 -8.997 1.00 52.32 O ATOM 0 H GLY A 29 -3.873 -10.303 -10.342 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -5.097 -8.655 -9.366 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -3.978 -8.582 -8.019 1.00 61.30 H new ATOM 445 N ILE A 30 -3.037 -7.424 -10.956 1.00 54.44 N ATOM 446 CA ILE A 30 -2.433 -6.281 -11.627 1.00 74.22 C ATOM 447 C ILE A 30 -3.398 -5.657 -12.630 1.00 61.31 C ATOM 448 O ILE A 30 -4.196 -6.356 -13.255 1.00 14.22 O ATOM 449 CB ILE A 30 -1.137 -6.678 -12.359 1.00 33.02 C ATOM 450 CG1 ILE A 30 -0.228 -7.486 -11.429 1.00 74.32 C ATOM 451 CG2 ILE A 30 -0.415 -5.439 -12.868 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.038 -7.976 -12.098 1.00 25.45 C ATOM 0 H ILE A 30 -3.131 -8.255 -11.540 1.00 54.44 H new ATOM 0 HA ILE A 30 -2.196 -5.551 -10.853 1.00 74.22 H new ATOM 0 HB ILE A 30 -1.397 -7.301 -13.215 1.00 33.02 H new ATOM 0 HG12 ILE A 30 0.039 -6.870 -10.570 1.00 74.32 H new ATOM 0 HG13 ILE A 30 -0.782 -8.343 -11.047 1.00 74.32 H new ATOM 0 HG21 ILE A 30 0.499 -5.736 -13.383 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -1.062 -4.899 -13.559 1.00 52.12 H new ATOM 0 HG23 ILE A 30 -0.164 -4.793 -12.027 1.00 52.12 H new ATOM 0 HD11 ILE A 30 1.634 -8.540 -11.381 1.00 25.45 H new ATOM 0 HD12 ILE A 30 0.779 -8.618 -12.940 1.00 25.45 H new ATOM 0 HD13 ILE A 30 1.614 -7.123 -12.456 1.00 25.45 H new ATOM 464 N ASP A 31 -3.318 -4.340 -12.779 1.00 75.12 N ATOM 465 CA ASP A 31 -4.183 -3.622 -13.709 1.00 21.24 C ATOM 466 C ASP A 31 -3.503 -3.453 -15.063 1.00 75.12 C ATOM 467 O ASP A 31 -2.583 -2.648 -15.212 1.00 63.43 O ATOM 468 CB ASP A 31 -4.557 -2.253 -13.137 1.00 24.41 C ATOM 469 CG ASP A 31 -5.624 -2.345 -12.064 1.00 12.42 C ATOM 470 OD1 ASP A 31 -5.277 -2.667 -10.908 1.00 24.32 O ATOM 471 OD2 ASP A 31 -6.805 -2.094 -12.380 1.00 60.30 O ATOM 0 H ASP A 31 -2.664 -3.747 -12.268 1.00 75.12 H new ATOM 0 HA ASP A 31 -5.091 -4.209 -13.850 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -3.667 -1.781 -12.721 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -4.911 -1.610 -13.943 1.00 24.41 H new ATOM 476 N TYR A 32 -3.961 -4.218 -16.048 1.00 1.34 N ATOM 477 CA TYR A 32 -3.395 -4.156 -17.391 1.00 14.55 C ATOM 478 C TYR A 32 -4.454 -3.748 -18.410 1.00 23.04 C ATOM 479 O TYR A 32 -5.573 -4.261 -18.400 1.00 43.04 O ATOM 480 CB TYR A 32 -2.793 -5.508 -17.776 1.00 44.01 C ATOM 481 CG TYR A 32 -1.308 -5.608 -17.509 1.00 2.43 C ATOM 482 CD1 TYR A 32 -0.769 -5.181 -16.302 1.00 2.21 C ATOM 483 CD2 TYR A 32 -0.444 -6.128 -18.464 1.00 41.42 C ATOM 484 CE1 TYR A 32 0.586 -5.271 -16.053 1.00 1.10 C ATOM 485 CE2 TYR A 32 0.914 -6.223 -18.224 1.00 0.12 C ATOM 486 CZ TYR A 32 1.424 -5.793 -17.017 1.00 70.01 C ATOM 487 OH TYR A 32 2.775 -5.883 -16.775 1.00 34.31 O ATOM 0 H TYR A 32 -4.723 -4.888 -15.942 1.00 1.34 H new ATOM 0 HA TYR A 32 -2.608 -3.402 -17.392 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -3.307 -6.295 -17.224 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -2.976 -5.689 -18.835 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -1.421 -4.771 -15.545 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -0.840 -6.464 -19.411 1.00 41.42 H new ATOM 0 HE1 TYR A 32 0.988 -4.935 -15.109 1.00 1.10 H new ATOM 0 HE2 TYR A 32 1.572 -6.631 -18.977 1.00 0.12 H new ATOM 0 HH TYR A 32 3.187 -6.478 -17.436 1.00 34.31 H new ATOM 497 N THR A 33 -4.091 -2.822 -19.292 1.00 12.42 N ATOM 498 CA THR A 33 -5.008 -2.344 -20.319 1.00 70.00 C ATOM 499 C THR A 33 -5.030 -3.284 -21.518 1.00 44.51 C ATOM 500 O THR A 33 -4.055 -3.377 -22.265 1.00 22.54 O ATOM 501 CB THR A 33 -4.629 -0.929 -20.797 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.048 -0.188 -19.719 1.00 62.20 O ATOM 503 CG2 THR A 33 -5.850 -0.192 -21.327 1.00 52.41 C ATOM 0 H THR A 33 -3.168 -2.388 -19.316 1.00 12.42 H new ATOM 0 HA THR A 33 -5.999 -2.313 -19.867 1.00 70.00 H new ATOM 0 HB THR A 33 -3.903 -1.024 -21.605 1.00 0.30 H new ATOM 0 HG1 THR A 33 -3.114 -0.461 -19.600 1.00 62.20 H new ATOM 0 HG21 THR A 33 -5.558 0.804 -21.659 1.00 52.41 H new ATOM 0 HG22 THR A 33 -6.273 -0.744 -22.166 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.595 -0.107 -20.536 1.00 52.41 H new ATOM 511 N PHE A 34 -6.147 -3.981 -21.698 1.00 20.02 N ATOM 512 CA PHE A 34 -6.295 -4.915 -22.808 1.00 51.35 C ATOM 513 C PHE A 34 -6.566 -4.172 -24.114 1.00 63.42 C ATOM 514 O PHE A 34 -7.547 -3.437 -24.230 1.00 51.44 O ATOM 515 CB PHE A 34 -7.431 -5.901 -22.525 1.00 74.40 C ATOM 516 CG PHE A 34 -7.772 -6.775 -23.698 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.774 -7.390 -24.435 1.00 15.04 C ATOM 518 CD2 PHE A 34 -9.093 -6.980 -24.065 1.00 54.34 C ATOM 519 CE1 PHE A 34 -7.085 -8.195 -25.514 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.410 -7.784 -25.143 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.405 -8.391 -25.869 1.00 71.33 C ATOM 0 H PHE A 34 -6.963 -3.917 -21.089 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.361 -5.467 -22.912 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -7.152 -6.532 -21.681 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.319 -5.344 -22.227 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.740 -7.239 -24.163 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.883 -6.506 -23.502 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -6.297 -8.670 -26.079 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.443 -7.937 -25.417 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.651 -9.018 -26.713 1.00 71.33 H new ATOM 531 N HIS A 35 -5.687 -4.368 -25.092 1.00 30.12 N ATOM 532 CA HIS A 35 -5.831 -3.717 -26.389 1.00 4.21 C ATOM 533 C HIS A 35 -5.742 -4.736 -27.521 1.00 71.42 C ATOM 534 O HIS A 35 -4.755 -5.462 -27.640 1.00 23.35 O ATOM 535 CB HIS A 35 -4.755 -2.645 -26.567 1.00 32.13 C ATOM 536 CG HIS A 35 -5.148 -1.306 -26.026 1.00 2.30 C ATOM 537 ND1 HIS A 35 -6.207 -1.125 -25.160 1.00 73.35 N ATOM 538 CD2 HIS A 35 -4.619 -0.077 -26.231 1.00 54.12 C ATOM 539 CE1 HIS A 35 -6.311 0.157 -24.857 1.00 51.22 C ATOM 540 NE2 HIS A 35 -5.359 0.814 -25.494 1.00 32.22 N ATOM 0 H HIS A 35 -4.869 -4.972 -25.011 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.813 -3.245 -26.424 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.841 -2.974 -26.072 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -4.525 -2.546 -27.628 1.00 32.13 H new ATOM 0 HD1 HIS A 35 -6.815 -1.865 -24.809 1.00 73.35 H new ATOM 0 HD2 HIS A 35 -3.772 0.159 -26.858 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -7.049 0.593 -24.200 1.00 51.22 H new ATOM 548 N ASP A 36 -6.779 -4.784 -28.350 1.00 25.23 N ATOM 549 CA ASP A 36 -6.819 -5.714 -29.473 1.00 42.21 C ATOM 550 C ASP A 36 -6.138 -5.113 -30.699 1.00 1.23 C ATOM 551 O ASP A 36 -6.113 -3.895 -30.874 1.00 31.51 O ATOM 552 CB ASP A 36 -8.265 -6.083 -29.806 1.00 24.32 C ATOM 553 CG ASP A 36 -8.365 -7.368 -30.603 1.00 34.45 C ATOM 554 OD1 ASP A 36 -8.160 -8.449 -30.013 1.00 21.31 O ATOM 555 OD2 ASP A 36 -8.648 -7.294 -31.817 1.00 70.42 O ATOM 0 H ASP A 36 -7.604 -4.190 -28.266 1.00 25.23 H new ATOM 0 HA ASP A 36 -6.280 -6.617 -29.186 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.833 -6.187 -28.881 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.723 -5.271 -30.371 1.00 24.32 H new ATOM 560 N TYR A 37 -5.588 -5.976 -31.546 1.00 30.14 N ATOM 561 CA TYR A 37 -4.903 -5.531 -32.754 1.00 33.02 C ATOM 562 C TYR A 37 -5.813 -4.642 -33.598 1.00 52.25 C ATOM 563 O TYR A 37 -5.344 -3.759 -34.317 1.00 44.22 O ATOM 564 CB TYR A 37 -4.442 -6.734 -33.577 1.00 4.33 C ATOM 565 CG TYR A 37 -5.559 -7.417 -34.333 1.00 34.33 C ATOM 566 CD1 TYR A 37 -6.559 -8.108 -33.659 1.00 74.22 C ATOM 567 CD2 TYR A 37 -5.616 -7.369 -35.719 1.00 30.14 C ATOM 568 CE1 TYR A 37 -7.582 -8.734 -34.346 1.00 34.11 C ATOM 569 CE2 TYR A 37 -6.637 -7.990 -36.415 1.00 74.45 C ATOM 570 CZ TYR A 37 -7.616 -8.671 -35.723 1.00 12.12 C ATOM 571 OH TYR A 37 -8.634 -9.292 -36.411 1.00 41.03 O ATOM 0 H TYR A 37 -5.603 -6.988 -31.418 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.031 -4.949 -32.454 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.681 -6.408 -34.286 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.969 -7.458 -32.913 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -6.536 -8.157 -32.580 1.00 74.22 H new ATOM 0 HD2 TYR A 37 -4.850 -6.837 -36.263 1.00 30.14 H new ATOM 0 HE1 TYR A 37 -8.350 -9.269 -33.808 1.00 34.11 H new ATOM 0 HE2 TYR A 37 -6.667 -7.942 -37.494 1.00 74.45 H new ATOM 0 HH TYR A 37 -8.512 -9.151 -37.373 1.00 41.03 H new ATOM 581 N LYS A 38 -7.116 -4.882 -33.505 1.00 0.11 N ATOM 582 CA LYS A 38 -8.094 -4.105 -34.257 1.00 54.34 C ATOM 583 C LYS A 38 -8.569 -2.902 -33.449 1.00 63.30 C ATOM 584 O LYS A 38 -8.553 -1.769 -33.933 1.00 51.11 O ATOM 585 CB LYS A 38 -9.288 -4.981 -34.639 1.00 63.31 C ATOM 586 CG LYS A 38 -10.029 -4.496 -35.873 1.00 54.42 C ATOM 587 CD LYS A 38 -9.244 -4.777 -37.142 1.00 63.40 C ATOM 588 CE LYS A 38 -9.792 -3.990 -38.323 1.00 74.30 C ATOM 589 NZ LYS A 38 -11.053 -4.585 -38.847 1.00 30.43 N ATOM 0 H LYS A 38 -7.520 -5.610 -32.915 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.613 -3.743 -35.166 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.940 -5.999 -34.811 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.983 -5.019 -33.800 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -11.001 -4.985 -35.930 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -10.215 -3.425 -35.789 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -8.196 -4.520 -36.987 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -9.281 -5.843 -37.365 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -9.975 -2.959 -38.019 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -9.046 -3.961 -39.118 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -11.395 -4.021 -39.651 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -10.873 -5.560 -39.160 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -11.773 -4.590 -38.096 1.00 30.43 H new ATOM 603 N LYS A 39 -8.993 -3.154 -32.215 1.00 13.11 N ATOM 604 CA LYS A 39 -9.472 -2.092 -31.339 1.00 43.13 C ATOM 605 C LYS A 39 -8.434 -0.980 -31.214 1.00 2.14 C ATOM 606 O LYS A 39 -8.758 0.200 -31.339 1.00 41.33 O ATOM 607 CB LYS A 39 -9.801 -2.655 -29.954 1.00 74.40 C ATOM 608 CG LYS A 39 -11.202 -3.230 -29.849 1.00 14.42 C ATOM 609 CD LYS A 39 -11.240 -4.687 -30.278 1.00 32.52 C ATOM 610 CE LYS A 39 -12.669 -5.183 -30.442 1.00 13.12 C ATOM 611 NZ LYS A 39 -13.233 -4.819 -31.771 1.00 4.24 N ATOM 0 H LYS A 39 -9.014 -4.085 -31.799 1.00 13.11 H new ATOM 0 HA LYS A 39 -10.377 -1.673 -31.779 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -9.079 -3.433 -29.706 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -9.685 -1.864 -29.213 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -11.556 -3.143 -28.822 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -11.883 -2.649 -30.471 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -10.703 -4.804 -31.219 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -10.724 -5.299 -29.538 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -12.694 -6.266 -30.321 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -13.293 -4.760 -29.655 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -14.208 -5.175 -31.844 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -13.233 -3.784 -31.876 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -12.653 -5.243 -32.522 1.00 4.24 H new ATOM 625 N GLU A 40 -7.187 -1.367 -30.967 1.00 43.23 N ATOM 626 CA GLU A 40 -6.103 -0.402 -30.827 1.00 30.23 C ATOM 627 C GLU A 40 -5.797 0.273 -32.161 1.00 71.01 C ATOM 628 O GLU A 40 -5.298 1.396 -32.201 1.00 70.35 O ATOM 629 CB GLU A 40 -4.844 -1.089 -30.291 1.00 33.12 C ATOM 630 CG GLU A 40 -3.976 -0.185 -29.431 1.00 71.13 C ATOM 631 CD GLU A 40 -2.936 0.567 -30.240 1.00 51.30 C ATOM 632 OE1 GLU A 40 -2.165 -0.090 -30.971 1.00 43.15 O ATOM 633 OE2 GLU A 40 -2.896 1.811 -30.143 1.00 11.55 O ATOM 0 H GLU A 40 -6.902 -2.341 -30.860 1.00 43.23 H new ATOM 0 HA GLU A 40 -6.422 0.362 -30.118 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -5.137 -1.961 -29.706 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -4.253 -1.453 -31.132 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -4.610 0.530 -28.907 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -3.476 -0.784 -28.670 1.00 71.13 H new ATOM 640 N GLY A 41 -6.103 -0.423 -33.252 1.00 12.45 N ATOM 641 CA GLY A 41 -5.854 0.124 -34.573 1.00 0.44 C ATOM 642 C GLY A 41 -4.382 0.379 -34.828 1.00 54.13 C ATOM 643 O GLY A 41 -3.846 1.414 -34.431 1.00 32.21 O ATOM 0 H GLY A 41 -6.518 -1.355 -33.245 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -6.236 -0.566 -35.326 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.406 1.057 -34.686 1.00 0.44 H new ATOM 647 N LEU A 42 -3.724 -0.566 -35.490 1.00 61.22 N ATOM 648 CA LEU A 42 -2.304 -0.440 -35.796 1.00 32.11 C ATOM 649 C LEU A 42 -2.084 0.483 -36.990 1.00 60.11 C ATOM 650 O LEU A 42 -2.674 0.290 -38.053 1.00 61.12 O ATOM 651 CB LEU A 42 -1.699 -1.816 -36.081 1.00 31.00 C ATOM 652 CG LEU A 42 -0.206 -1.965 -35.790 1.00 10.43 C ATOM 653 CD1 LEU A 42 0.607 -1.030 -36.672 1.00 61.11 C ATOM 654 CD2 LEU A 42 0.080 -1.698 -34.319 1.00 25.43 C ATOM 0 H LEU A 42 -4.152 -1.429 -35.825 1.00 61.22 H new ATOM 0 HA LEU A 42 -1.808 -0.005 -34.928 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -2.239 -2.557 -35.492 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -1.870 -2.056 -37.130 1.00 31.00 H new ATOM 0 HG LEU A 42 0.088 -2.990 -36.016 1.00 10.43 H new ATOM 0 HD11 LEU A 42 1.667 -1.151 -36.450 1.00 61.11 H new ATOM 0 HD12 LEU A 42 0.426 -1.269 -37.720 1.00 61.11 H new ATOM 0 HD13 LEU A 42 0.311 0.001 -36.479 1.00 61.11 H new ATOM 0 HD21 LEU A 42 1.148 -1.809 -34.130 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -0.230 -0.684 -34.066 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -0.473 -2.410 -33.706 1.00 25.43 H new ATOM 666 N ASP A 43 -1.230 1.484 -36.808 1.00 24.10 N ATOM 667 CA ASP A 43 -0.929 2.436 -37.872 1.00 33.24 C ATOM 668 C ASP A 43 0.544 2.368 -38.260 1.00 21.14 C ATOM 669 O ASP A 43 1.350 1.741 -37.572 1.00 4.53 O ATOM 670 CB ASP A 43 -1.288 3.855 -37.432 1.00 14.14 C ATOM 671 CG ASP A 43 -0.896 4.134 -35.994 1.00 53.01 C ATOM 672 OD1 ASP A 43 -1.570 3.610 -35.083 1.00 52.23 O ATOM 673 OD2 ASP A 43 0.086 4.875 -35.781 1.00 4.11 O ATOM 0 H ASP A 43 -0.734 1.658 -35.934 1.00 24.10 H new ATOM 0 HA ASP A 43 -1.529 2.172 -38.743 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -0.791 4.571 -38.086 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -2.361 4.008 -37.549 1.00 14.14 H new ATOM 678 N ALA A 44 0.890 3.016 -39.368 1.00 11.33 N ATOM 679 CA ALA A 44 2.266 3.030 -39.847 1.00 41.31 C ATOM 680 C ALA A 44 3.209 3.602 -38.795 1.00 2.35 C ATOM 681 O ALA A 44 4.301 3.080 -38.578 1.00 3.31 O ATOM 682 CB ALA A 44 2.366 3.829 -41.139 1.00 54.41 C ATOM 0 H ALA A 44 0.235 3.538 -39.951 1.00 11.33 H new ATOM 0 HA ALA A 44 2.566 2.001 -40.044 1.00 41.31 H new ATOM 0 HB1 ALA A 44 3.399 3.832 -41.486 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.729 3.375 -41.898 1.00 54.41 H new ATOM 0 HB3 ALA A 44 2.041 4.854 -40.959 1.00 54.41 H new ATOM 688 N GLU A 45 2.777 4.678 -38.142 1.00 21.11 N ATOM 689 CA GLU A 45 3.586 5.321 -37.113 1.00 32.33 C ATOM 690 C GLU A 45 3.988 4.320 -36.034 1.00 22.11 C ATOM 691 O GLU A 45 5.164 4.204 -35.686 1.00 3.32 O ATOM 692 CB GLU A 45 2.816 6.485 -36.483 1.00 25.10 C ATOM 693 CG GLU A 45 3.715 7.557 -35.889 1.00 65.44 C ATOM 694 CD GLU A 45 2.975 8.852 -35.618 1.00 54.25 C ATOM 695 OE1 GLU A 45 1.748 8.894 -35.842 1.00 35.42 O ATOM 696 OE2 GLU A 45 3.625 9.826 -35.182 1.00 31.22 O ATOM 0 H GLU A 45 1.873 5.121 -38.307 1.00 21.11 H new ATOM 0 HA GLU A 45 4.491 5.705 -37.584 1.00 32.33 H new ATOM 0 HB2 GLU A 45 2.175 6.938 -37.240 1.00 25.10 H new ATOM 0 HB3 GLU A 45 2.162 6.097 -35.702 1.00 25.10 H new ATOM 0 HG2 GLU A 45 4.148 7.189 -34.959 1.00 65.44 H new ATOM 0 HG3 GLU A 45 4.543 7.751 -36.571 1.00 65.44 H new ATOM 703 N THR A 46 3.004 3.598 -35.508 1.00 73.34 N ATOM 704 CA THR A 46 3.255 2.608 -34.467 1.00 14.20 C ATOM 705 C THR A 46 4.161 1.493 -34.976 1.00 20.44 C ATOM 706 O THR A 46 5.170 1.165 -34.351 1.00 51.10 O ATOM 707 CB THR A 46 1.942 1.992 -33.950 1.00 72.32 C ATOM 708 OG1 THR A 46 0.853 2.894 -34.179 1.00 61.33 O ATOM 709 CG2 THR A 46 2.040 1.674 -32.466 1.00 1.32 C ATOM 0 H THR A 46 2.026 3.680 -35.785 1.00 73.34 H new ATOM 0 HA THR A 46 3.750 3.129 -33.648 1.00 14.20 H new ATOM 0 HB THR A 46 1.764 1.064 -34.493 1.00 72.32 H new ATOM 0 HG1 THR A 46 0.021 2.385 -34.275 1.00 61.33 H new ATOM 0 HG21 THR A 46 1.100 1.240 -32.124 1.00 1.32 H new ATOM 0 HG22 THR A 46 2.850 0.964 -32.299 1.00 1.32 H new ATOM 0 HG23 THR A 46 2.240 2.590 -31.910 1.00 1.32 H new ATOM 717 N LEU A 47 3.795 0.913 -36.114 1.00 41.05 N ATOM 718 CA LEU A 47 4.576 -0.166 -36.708 1.00 30.54 C ATOM 719 C LEU A 47 6.032 0.251 -36.891 1.00 4.21 C ATOM 720 O LEU A 47 6.948 -0.469 -36.494 1.00 62.44 O ATOM 721 CB LEU A 47 3.978 -0.573 -38.056 1.00 40.43 C ATOM 722 CG LEU A 47 4.219 -2.020 -38.488 1.00 30.21 C ATOM 723 CD1 LEU A 47 5.706 -2.282 -38.670 1.00 72.53 C ATOM 724 CD2 LEU A 47 3.625 -2.985 -37.474 1.00 35.34 C ATOM 0 H LEU A 47 2.963 1.172 -36.643 1.00 41.05 H new ATOM 0 HA LEU A 47 4.544 -1.019 -36.030 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.902 -0.400 -38.021 1.00 40.43 H new ATOM 0 HB3 LEU A 47 4.382 0.086 -38.824 1.00 40.43 H new ATOM 0 HG LEU A 47 3.723 -2.181 -39.445 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.858 -3.317 -38.977 1.00 72.53 H new ATOM 0 HD12 LEU A 47 6.102 -1.614 -39.435 1.00 72.53 H new ATOM 0 HD13 LEU A 47 6.225 -2.103 -37.728 1.00 72.53 H new ATOM 0 HD21 LEU A 47 3.806 -4.010 -37.798 1.00 35.34 H new ATOM 0 HD22 LEU A 47 4.091 -2.824 -36.502 1.00 35.34 H new ATOM 0 HD23 LEU A 47 2.551 -2.814 -37.394 1.00 35.34 H new ATOM 736 N ASP A 48 6.236 1.418 -37.491 1.00 1.01 N ATOM 737 CA ASP A 48 7.580 1.935 -37.722 1.00 1.33 C ATOM 738 C ASP A 48 8.343 2.074 -36.408 1.00 4.12 C ATOM 739 O ASP A 48 9.474 1.603 -36.283 1.00 45.52 O ATOM 740 CB ASP A 48 7.515 3.286 -38.435 1.00 15.35 C ATOM 741 CG ASP A 48 8.885 3.790 -38.848 1.00 42.32 C ATOM 742 OD1 ASP A 48 9.465 3.220 -39.795 1.00 70.50 O ATOM 743 OD2 ASP A 48 9.377 4.752 -38.222 1.00 12.50 O ATOM 0 H ASP A 48 5.488 2.024 -37.827 1.00 1.01 H new ATOM 0 HA ASP A 48 8.111 1.225 -38.356 1.00 1.33 H new ATOM 0 HB2 ASP A 48 6.882 3.197 -39.318 1.00 15.35 H new ATOM 0 HB3 ASP A 48 7.045 4.018 -37.778 1.00 15.35 H new ATOM 748 N ARG A 49 7.717 2.724 -35.433 1.00 40.22 N ATOM 749 CA ARG A 49 8.337 2.927 -34.130 1.00 24.55 C ATOM 750 C ARG A 49 8.758 1.597 -33.514 1.00 53.00 C ATOM 751 O ARG A 49 9.823 1.492 -32.903 1.00 73.52 O ATOM 752 CB ARG A 49 7.374 3.654 -33.190 1.00 41.24 C ATOM 753 CG ARG A 49 7.420 5.167 -33.320 1.00 35.00 C ATOM 754 CD ARG A 49 6.194 5.818 -32.699 1.00 53.11 C ATOM 755 NE ARG A 49 6.180 5.681 -31.245 1.00 73.43 N ATOM 756 CZ ARG A 49 5.110 5.920 -30.495 1.00 12.33 C ATOM 757 NH1 ARG A 49 3.973 6.305 -31.059 1.00 1.45 N ATOM 758 NH2 ARG A 49 5.175 5.773 -29.178 1.00 21.11 N ATOM 0 H ARG A 49 6.781 3.119 -35.521 1.00 40.22 H new ATOM 0 HA ARG A 49 9.227 3.540 -34.272 1.00 24.55 H new ATOM 0 HB2 ARG A 49 6.358 3.312 -33.389 1.00 41.24 H new ATOM 0 HB3 ARG A 49 7.607 3.379 -32.161 1.00 41.24 H new ATOM 0 HG2 ARG A 49 8.320 5.547 -32.836 1.00 35.00 H new ATOM 0 HG3 ARG A 49 7.484 5.441 -34.373 1.00 35.00 H new ATOM 0 HD2 ARG A 49 6.171 6.875 -32.964 1.00 53.11 H new ATOM 0 HD3 ARG A 49 5.294 5.366 -33.115 1.00 53.11 H new ATOM 0 HE ARG A 49 7.039 5.386 -30.780 1.00 73.43 H new ATOM 0 HH11 ARG A 49 3.919 6.418 -32.071 1.00 1.45 H new ATOM 0 HH12 ARG A 49 3.153 6.488 -30.481 1.00 1.45 H new ATOM 0 HH21 ARG A 49 6.047 5.476 -28.740 1.00 21.11 H new ATOM 0 HH22 ARG A 49 4.353 5.957 -28.603 1.00 21.11 H new ATOM 772 N PHE A 50 7.917 0.582 -33.679 1.00 52.05 N ATOM 773 CA PHE A 50 8.200 -0.743 -33.138 1.00 23.30 C ATOM 774 C PHE A 50 9.318 -1.423 -33.924 1.00 71.14 C ATOM 775 O PHE A 50 10.096 -2.201 -33.371 1.00 40.10 O ATOM 776 CB PHE A 50 6.940 -1.610 -33.167 1.00 63.44 C ATOM 777 CG PHE A 50 5.997 -1.336 -32.031 1.00 22.12 C ATOM 778 CD1 PHE A 50 6.448 -1.349 -30.721 1.00 32.42 C ATOM 779 CD2 PHE A 50 4.660 -1.064 -32.272 1.00 14.32 C ATOM 780 CE1 PHE A 50 5.583 -1.098 -29.673 1.00 14.22 C ATOM 781 CE2 PHE A 50 3.790 -0.812 -31.228 1.00 41.31 C ATOM 782 CZ PHE A 50 4.253 -0.828 -29.926 1.00 24.45 C ATOM 0 H PHE A 50 7.033 0.651 -34.183 1.00 52.05 H new ATOM 0 HA PHE A 50 8.526 -0.624 -32.105 1.00 23.30 H new ATOM 0 HB2 PHE A 50 6.418 -1.446 -34.110 1.00 63.44 H new ATOM 0 HB3 PHE A 50 7.231 -2.660 -33.142 1.00 63.44 H new ATOM 0 HD1 PHE A 50 7.488 -1.558 -30.517 1.00 32.42 H new ATOM 0 HD2 PHE A 50 4.293 -1.049 -33.288 1.00 14.32 H new ATOM 0 HE1 PHE A 50 5.947 -1.113 -28.656 1.00 14.22 H new ATOM 0 HE2 PHE A 50 2.750 -0.603 -31.429 1.00 41.31 H new ATOM 0 HZ PHE A 50 3.576 -0.630 -29.108 1.00 24.45 H new ATOM 792 N LEU A 51 9.389 -1.125 -35.216 1.00 22.50 N ATOM 793 CA LEU A 51 10.410 -1.708 -36.080 1.00 0.23 C ATOM 794 C LEU A 51 11.789 -1.146 -35.749 1.00 53.31 C ATOM 795 O LEU A 51 12.790 -1.862 -35.789 1.00 22.12 O ATOM 796 CB LEU A 51 10.077 -1.440 -37.549 1.00 24.51 C ATOM 797 CG LEU A 51 10.541 -2.502 -38.547 1.00 22.33 C ATOM 798 CD1 LEU A 51 12.057 -2.629 -38.526 1.00 70.24 C ATOM 799 CD2 LEU A 51 9.888 -3.842 -38.242 1.00 23.22 C ATOM 0 H LEU A 51 8.752 -0.483 -35.689 1.00 22.50 H new ATOM 0 HA LEU A 51 10.425 -2.784 -35.908 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.996 -1.330 -37.642 1.00 24.51 H new ATOM 0 HB3 LEU A 51 10.520 -0.485 -37.833 1.00 24.51 H new ATOM 0 HG LEU A 51 10.237 -2.191 -39.546 1.00 22.33 H new ATOM 0 HD11 LEU A 51 12.368 -3.389 -39.242 1.00 70.24 H new ATOM 0 HD12 LEU A 51 12.506 -1.673 -38.794 1.00 70.24 H new ATOM 0 HD13 LEU A 51 12.384 -2.916 -37.527 1.00 70.24 H new ATOM 0 HD21 LEU A 51 10.230 -4.586 -38.962 1.00 23.22 H new ATOM 0 HD22 LEU A 51 10.161 -4.159 -37.236 1.00 23.22 H new ATOM 0 HD23 LEU A 51 8.805 -3.743 -38.310 1.00 23.22 H new ATOM 811 N LYS A 52 11.834 0.141 -35.419 1.00 72.22 N ATOM 812 CA LYS A 52 13.088 0.800 -35.077 1.00 13.04 C ATOM 813 C LYS A 52 13.579 0.357 -33.703 1.00 1.22 C ATOM 814 O LYS A 52 14.762 0.067 -33.517 1.00 22.51 O ATOM 815 CB LYS A 52 12.913 2.320 -35.101 1.00 14.41 C ATOM 816 CG LYS A 52 13.031 2.924 -36.490 1.00 64.25 C ATOM 817 CD LYS A 52 12.603 4.381 -36.503 1.00 12.02 C ATOM 818 CE LYS A 52 13.659 5.278 -35.875 1.00 32.31 C ATOM 819 NZ LYS A 52 13.517 5.351 -34.394 1.00 13.43 N ATOM 0 H LYS A 52 11.015 0.748 -35.381 1.00 72.22 H new ATOM 0 HA LYS A 52 13.833 0.514 -35.820 1.00 13.04 H new ATOM 0 HB2 LYS A 52 11.937 2.572 -34.686 1.00 14.41 H new ATOM 0 HB3 LYS A 52 13.662 2.774 -34.452 1.00 14.41 H new ATOM 0 HG2 LYS A 52 14.061 2.844 -36.836 1.00 64.25 H new ATOM 0 HG3 LYS A 52 12.415 2.357 -37.188 1.00 64.25 H new ATOM 0 HD2 LYS A 52 12.419 4.698 -37.529 1.00 12.02 H new ATOM 0 HD3 LYS A 52 11.663 4.490 -35.962 1.00 12.02 H new ATOM 0 HE2 LYS A 52 14.651 4.902 -36.126 1.00 32.31 H new ATOM 0 HE3 LYS A 52 13.582 6.280 -36.297 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 13.589 6.342 -34.087 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 12.591 4.969 -34.115 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 14.271 4.794 -33.945 1.00 13.43 H new ATOM 833 N THR A 53 12.663 0.303 -32.740 1.00 24.20 N ATOM 834 CA THR A 53 13.002 -0.105 -31.384 1.00 34.52 C ATOM 835 C THR A 53 13.223 -1.611 -31.302 1.00 21.14 C ATOM 836 O THR A 53 13.959 -2.096 -30.442 1.00 72.44 O ATOM 837 CB THR A 53 11.900 0.296 -30.385 1.00 24.53 C ATOM 838 OG1 THR A 53 11.598 1.689 -30.521 1.00 13.12 O ATOM 839 CG2 THR A 53 12.334 0.003 -28.955 1.00 64.44 C ATOM 0 H THR A 53 11.680 0.537 -32.876 1.00 24.20 H new ATOM 0 HA THR A 53 13.926 0.410 -31.121 1.00 34.52 H new ATOM 0 HB THR A 53 11.009 -0.291 -30.606 1.00 24.53 H new ATOM 0 HG1 THR A 53 10.989 1.819 -31.277 1.00 13.12 H new ATOM 0 HG21 THR A 53 11.540 0.294 -28.267 1.00 64.44 H new ATOM 0 HG22 THR A 53 12.535 -1.063 -28.847 1.00 64.44 H new ATOM 0 HG23 THR A 53 13.238 0.568 -28.726 1.00 64.44 H new ATOM 847 N VAL A 54 12.581 -2.349 -32.203 1.00 5.34 N ATOM 848 CA VAL A 54 12.708 -3.801 -32.233 1.00 43.11 C ATOM 849 C VAL A 54 12.610 -4.331 -33.660 1.00 50.42 C ATOM 850 O VAL A 54 11.728 -3.952 -34.430 1.00 41.32 O ATOM 851 CB VAL A 54 11.626 -4.478 -31.371 1.00 32.21 C ATOM 852 CG1 VAL A 54 11.788 -5.990 -31.401 1.00 15.02 C ATOM 853 CG2 VAL A 54 11.681 -3.957 -29.943 1.00 51.22 C ATOM 0 H VAL A 54 11.968 -1.965 -32.922 1.00 5.34 H new ATOM 0 HA VAL A 54 13.690 -4.041 -31.825 1.00 43.11 H new ATOM 0 HB VAL A 54 10.649 -4.233 -31.787 1.00 32.21 H new ATOM 0 HG11 VAL A 54 11.015 -6.451 -30.786 1.00 15.02 H new ATOM 0 HG12 VAL A 54 11.696 -6.346 -32.427 1.00 15.02 H new ATOM 0 HG13 VAL A 54 12.770 -6.259 -31.011 1.00 15.02 H new ATOM 0 HG21 VAL A 54 10.910 -4.446 -29.347 1.00 51.22 H new ATOM 0 HG22 VAL A 54 12.660 -4.171 -29.515 1.00 51.22 H new ATOM 0 HG23 VAL A 54 11.512 -2.880 -29.942 1.00 51.22 H new ATOM 863 N PRO A 55 13.538 -5.230 -34.021 1.00 2.25 N ATOM 864 CA PRO A 55 13.577 -5.832 -35.357 1.00 2.03 C ATOM 865 C PRO A 55 12.415 -6.791 -35.596 1.00 74.41 C ATOM 866 O PRO A 55 12.056 -7.575 -34.717 1.00 51.24 O ATOM 867 CB PRO A 55 14.907 -6.591 -35.365 1.00 33.24 C ATOM 868 CG PRO A 55 15.184 -6.885 -33.931 1.00 34.23 C ATOM 869 CD PRO A 55 14.619 -5.727 -33.155 1.00 62.25 C ATOM 0 HA PRO A 55 13.493 -5.083 -36.144 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.836 -7.508 -35.951 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.703 -5.991 -35.807 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.718 -7.823 -33.628 1.00 34.23 H new ATOM 0 HG3 PRO A 55 16.254 -6.989 -33.753 1.00 34.23 H new ATOM 0 HD2 PRO A 55 14.242 -6.041 -32.182 1.00 62.25 H new ATOM 0 HD3 PRO A 55 15.372 -4.960 -32.972 1.00 62.25 H new ATOM 877 N TRP A 56 11.833 -6.722 -36.787 1.00 2.13 N ATOM 878 CA TRP A 56 10.711 -7.585 -37.139 1.00 72.32 C ATOM 879 C TRP A 56 11.063 -9.052 -36.919 1.00 33.30 C ATOM 880 O TRP A 56 10.188 -9.875 -36.650 1.00 54.31 O ATOM 881 CB TRP A 56 10.305 -7.358 -38.596 1.00 43.12 C ATOM 882 CG TRP A 56 11.467 -7.354 -39.543 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.131 -6.261 -40.020 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.099 -8.497 -40.129 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.139 -6.655 -40.867 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.140 -8.022 -40.950 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.888 -9.876 -40.039 1.00 64.22 C ATOM 888 CZ2 TRP A 56 13.966 -8.878 -41.675 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.708 -10.723 -40.759 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.736 -10.222 -41.568 1.00 14.15 C ATOM 0 H TRP A 56 12.119 -6.078 -37.525 1.00 2.13 H new ATOM 0 HA TRP A 56 9.872 -7.331 -36.491 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.604 -8.137 -38.896 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.778 -6.407 -38.675 1.00 43.12 H new ATOM 0 HD1 TRP A 56 11.898 -5.237 -39.769 1.00 71.41 H new ATOM 0 HE1 TRP A 56 13.782 -6.031 -41.354 1.00 11.50 H new ATOM 0 HE3 TRP A 56 11.098 -10.272 -39.418 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 14.759 -8.494 -42.299 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.554 -11.790 -40.697 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.360 -10.911 -42.118 1.00 14.15 H new ATOM 901 N GLU A 57 12.348 -9.373 -37.036 1.00 24.51 N ATOM 902 CA GLU A 57 12.813 -10.742 -36.850 1.00 64.15 C ATOM 903 C GLU A 57 12.312 -11.312 -35.526 1.00 74.11 C ATOM 904 O GLU A 57 12.004 -12.499 -35.427 1.00 43.02 O ATOM 905 CB GLU A 57 14.342 -10.795 -36.895 1.00 44.32 C ATOM 906 CG GLU A 57 15.009 -10.119 -35.710 1.00 74.32 C ATOM 907 CD GLU A 57 16.339 -9.486 -36.072 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.395 -8.771 -37.095 1.00 35.22 O ATOM 909 OE2 GLU A 57 17.322 -9.705 -35.334 1.00 73.32 O ATOM 0 H GLU A 57 13.085 -8.704 -37.259 1.00 24.51 H new ATOM 0 HA GLU A 57 12.411 -11.349 -37.662 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.660 -11.837 -36.935 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.687 -10.321 -37.814 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.343 -9.354 -35.311 1.00 74.32 H new ATOM 0 HG3 GLU A 57 15.163 -10.852 -34.918 1.00 74.32 H new ATOM 916 N GLN A 58 12.235 -10.456 -34.512 1.00 73.33 N ATOM 917 CA GLN A 58 11.773 -10.874 -33.193 1.00 13.45 C ATOM 918 C GLN A 58 10.516 -10.111 -32.791 1.00 24.32 C ATOM 919 O GLN A 58 10.263 -9.892 -31.605 1.00 52.14 O ATOM 920 CB GLN A 58 12.872 -10.656 -32.152 1.00 52.31 C ATOM 921 CG GLN A 58 13.987 -11.688 -32.219 1.00 2.22 C ATOM 922 CD GLN A 58 14.804 -11.748 -30.944 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.255 -11.761 -29.841 1.00 12.51 O ATOM 924 NE2 GLN A 58 16.123 -11.785 -31.087 1.00 11.14 N ATOM 0 H GLN A 58 12.486 -9.470 -34.578 1.00 73.33 H new ATOM 0 HA GLN A 58 11.532 -11.936 -33.239 1.00 13.45 H new ATOM 0 HB2 GLN A 58 13.299 -9.663 -32.289 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.428 -10.677 -31.157 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.557 -12.670 -32.417 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.644 -11.453 -33.056 1.00 2.22 H new ATOM 0 HE21 GLN A 58 16.535 -11.772 -32.020 1.00 11.14 H new ATOM 0 HE22 GLN A 58 16.724 -11.826 -30.264 1.00 11.14 H new ATOM 933 N LEU A 59 9.730 -9.709 -33.783 1.00 41.15 N ATOM 934 CA LEU A 59 8.498 -8.970 -33.531 1.00 23.12 C ATOM 935 C LEU A 59 7.285 -9.747 -34.032 1.00 51.11 C ATOM 936 O LEU A 59 6.143 -9.412 -33.711 1.00 4.12 O ATOM 937 CB LEU A 59 8.554 -7.600 -34.209 1.00 20.44 C ATOM 938 CG LEU A 59 7.631 -6.526 -33.632 1.00 33.41 C ATOM 939 CD1 LEU A 59 8.212 -5.955 -32.348 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.396 -5.421 -34.652 1.00 61.44 C ATOM 0 H LEU A 59 9.924 -9.882 -34.769 1.00 41.15 H new ATOM 0 HA LEU A 59 8.400 -8.833 -32.454 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.580 -7.234 -34.159 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.313 -7.729 -35.264 1.00 20.44 H new ATOM 0 HG LEU A 59 6.671 -6.987 -33.398 1.00 33.41 H new ATOM 0 HD11 LEU A 59 7.541 -5.192 -31.953 1.00 5.54 H new ATOM 0 HD12 LEU A 59 8.327 -6.753 -31.614 1.00 5.54 H new ATOM 0 HD13 LEU A 59 9.185 -5.510 -32.555 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.737 -4.665 -34.224 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.349 -4.963 -34.918 1.00 61.44 H new ATOM 0 HD23 LEU A 59 6.934 -5.842 -35.545 1.00 61.44 H new ATOM 952 N LEU A 60 7.538 -10.788 -34.817 1.00 55.45 N ATOM 953 CA LEU A 60 6.467 -11.616 -35.361 1.00 62.31 C ATOM 954 C LEU A 60 6.789 -13.097 -35.198 1.00 44.10 C ATOM 955 O LEU A 60 7.953 -13.495 -35.206 1.00 61.30 O ATOM 956 CB LEU A 60 6.244 -11.290 -36.839 1.00 44.32 C ATOM 957 CG LEU A 60 7.216 -11.939 -37.824 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.508 -13.000 -38.652 1.00 41.24 C ATOM 959 CD2 LEU A 60 7.844 -10.887 -38.726 1.00 71.44 C ATOM 0 H LEU A 60 8.476 -11.079 -35.091 1.00 55.45 H new ATOM 0 HA LEU A 60 5.555 -11.398 -34.806 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.231 -11.590 -37.108 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.299 -10.209 -36.964 1.00 44.32 H new ATOM 0 HG LEU A 60 8.011 -12.422 -37.255 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.216 -13.451 -39.348 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.108 -13.769 -37.992 1.00 41.24 H new ATOM 0 HD13 LEU A 60 5.692 -12.541 -39.211 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.533 -11.368 -39.421 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.062 -10.375 -39.287 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.387 -10.164 -38.118 1.00 71.44 H new ATOM 971 N ASN A 61 5.747 -13.911 -35.053 1.00 14.22 N ATOM 972 CA ASN A 61 5.919 -15.351 -34.890 1.00 33.24 C ATOM 973 C ASN A 61 6.776 -15.926 -36.013 1.00 54.15 C ATOM 974 O ASN A 61 6.694 -15.485 -37.159 1.00 1.23 O ATOM 975 CB ASN A 61 4.557 -16.047 -34.864 1.00 52.35 C ATOM 976 CG ASN A 61 3.594 -15.472 -35.885 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.570 -14.889 -35.529 1.00 42.20 O ATOM 978 ND2 ASN A 61 3.919 -15.636 -37.162 1.00 71.33 N ATOM 0 H ASN A 61 4.776 -13.598 -35.045 1.00 14.22 H new ATOM 0 HA ASN A 61 6.428 -15.527 -33.942 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.692 -17.111 -35.056 1.00 52.35 H new ATOM 0 HB3 ASN A 61 4.124 -15.955 -33.868 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.309 -15.272 -37.894 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.778 -16.126 -37.411 1.00 71.33 H new ATOM 985 N ARG A 62 7.597 -16.915 -35.675 1.00 14.43 N ATOM 986 CA ARG A 62 8.470 -17.552 -36.654 1.00 62.32 C ATOM 987 C ARG A 62 7.981 -18.958 -36.985 1.00 71.20 C ATOM 988 O ARG A 62 7.785 -19.300 -38.151 1.00 73.11 O ATOM 989 CB ARG A 62 9.906 -17.609 -36.127 1.00 1.22 C ATOM 990 CG ARG A 62 10.667 -16.304 -36.288 1.00 71.45 C ATOM 991 CD ARG A 62 10.540 -15.430 -35.050 1.00 72.42 C ATOM 992 NE ARG A 62 11.843 -15.077 -34.493 1.00 15.00 N ATOM 993 CZ ARG A 62 12.543 -15.879 -33.698 1.00 45.11 C ATOM 994 NH1 ARG A 62 12.068 -17.072 -33.368 1.00 32.15 N ATOM 995 NH2 ARG A 62 13.721 -15.487 -33.231 1.00 4.03 N ATOM 0 H ARG A 62 7.676 -17.293 -34.731 1.00 14.43 H new ATOM 0 HA ARG A 62 8.449 -16.955 -37.566 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.886 -17.880 -35.071 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.444 -18.400 -36.649 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.719 -16.516 -36.479 1.00 71.45 H new ATOM 0 HG3 ARG A 62 10.288 -15.765 -37.156 1.00 71.45 H new ATOM 0 HD2 ARG A 62 9.995 -14.520 -35.303 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.953 -15.954 -34.295 1.00 72.42 H new ATOM 0 HE ARG A 62 12.237 -14.166 -34.727 1.00 15.00 H new ATOM 0 HH11 ARG A 62 11.162 -17.377 -33.725 1.00 32.15 H new ATOM 0 HH12 ARG A 62 12.608 -17.685 -32.757 1.00 32.15 H new ATOM 0 HH21 ARG A 62 14.090 -14.570 -33.482 1.00 4.03 H new ATOM 0 HH22 ARG A 62 14.258 -16.103 -32.621 1.00 4.03 H new ATOM 1009 N ALA A 63 7.786 -19.770 -35.951 1.00 13.41 N ATOM 1010 CA ALA A 63 7.319 -21.139 -36.132 1.00 11.25 C ATOM 1011 C ALA A 63 5.797 -21.194 -36.201 1.00 40.23 C ATOM 1012 O ALA A 63 5.224 -22.149 -36.723 1.00 15.22 O ATOM 1013 CB ALA A 63 7.832 -22.025 -35.006 1.00 4.01 C ATOM 0 H ALA A 63 7.944 -19.503 -34.979 1.00 13.41 H new ATOM 0 HA ALA A 63 7.713 -21.510 -37.078 1.00 11.25 H new ATOM 0 HB1 ALA A 63 7.476 -23.044 -35.154 1.00 4.01 H new ATOM 0 HB2 ALA A 63 8.922 -22.018 -35.005 1.00 4.01 H new ATOM 0 HB3 ALA A 63 7.466 -21.648 -34.051 1.00 4.01 H new ATOM 1019 N GLY A 64 5.147 -20.164 -35.669 1.00 15.42 N ATOM 1020 CA GLY A 64 3.697 -20.117 -35.680 1.00 64.14 C ATOM 1021 C GLY A 64 3.119 -20.348 -37.062 1.00 10.02 C ATOM 1022 O GLY A 64 3.738 -19.998 -38.068 1.00 62.15 O ATOM 0 H GLY A 64 5.599 -19.361 -35.231 1.00 15.42 H new ATOM 0 HA2 GLY A 64 3.307 -20.871 -34.996 1.00 64.14 H new ATOM 0 HA3 GLY A 64 3.365 -19.147 -35.308 1.00 64.14 H new ATOM 1026 N THR A 65 1.930 -20.940 -37.114 1.00 32.42 N ATOM 1027 CA THR A 65 1.270 -21.221 -38.382 1.00 14.14 C ATOM 1028 C THR A 65 1.171 -19.964 -39.240 1.00 2.22 C ATOM 1029 O THR A 65 1.231 -20.031 -40.469 1.00 74.54 O ATOM 1030 CB THR A 65 -0.143 -21.793 -38.166 1.00 43.52 C ATOM 1031 OG1 THR A 65 -0.955 -20.844 -37.465 1.00 71.44 O ATOM 1032 CG2 THR A 65 -0.084 -23.096 -37.382 1.00 24.43 C ATOM 0 H THR A 65 1.404 -21.234 -36.291 1.00 32.42 H new ATOM 0 HA THR A 65 1.879 -21.964 -38.897 1.00 14.14 H new ATOM 0 HB THR A 65 -0.583 -21.994 -39.143 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.852 -21.215 -37.333 1.00 71.44 H new ATOM 0 HG21 THR A 65 -1.094 -23.482 -37.241 1.00 24.43 H new ATOM 0 HG22 THR A 65 0.510 -23.825 -37.933 1.00 24.43 H new ATOM 0 HG23 THR A 65 0.374 -22.915 -36.410 1.00 24.43 H new ATOM 1040 N THR A 66 1.019 -18.817 -38.585 1.00 75.01 N ATOM 1041 CA THR A 66 0.911 -17.545 -39.288 1.00 24.34 C ATOM 1042 C THR A 66 2.076 -17.347 -40.252 1.00 70.12 C ATOM 1043 O THR A 66 1.906 -16.810 -41.346 1.00 31.44 O ATOM 1044 CB THR A 66 0.867 -16.361 -38.304 1.00 53.23 C ATOM 1045 OG1 THR A 66 1.389 -16.762 -37.032 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.555 -15.850 -38.134 1.00 2.54 C ATOM 0 H THR A 66 0.968 -18.743 -37.569 1.00 75.01 H new ATOM 0 HA THR A 66 -0.022 -17.575 -39.852 1.00 24.34 H new ATOM 0 HB THR A 66 1.479 -15.556 -38.712 1.00 53.23 H new ATOM 0 HG1 THR A 66 1.424 -15.987 -36.434 1.00 11.42 H new ATOM 0 HG21 THR A 66 -0.560 -15.014 -37.435 1.00 2.54 H new ATOM 0 HG22 THR A 66 -0.940 -15.519 -39.098 1.00 2.54 H new ATOM 0 HG23 THR A 66 -1.186 -16.651 -37.747 1.00 2.54 H new ATOM 1054 N PHE A 67 3.260 -17.787 -39.838 1.00 31.33 N ATOM 1055 CA PHE A 67 4.454 -17.659 -40.664 1.00 51.22 C ATOM 1056 C PHE A 67 4.476 -18.723 -41.757 1.00 2.20 C ATOM 1057 O PHE A 67 4.946 -18.476 -42.869 1.00 62.22 O ATOM 1058 CB PHE A 67 5.713 -17.771 -39.801 1.00 14.00 C ATOM 1059 CG PHE A 67 6.985 -17.532 -40.562 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.540 -18.532 -41.343 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.626 -16.305 -40.496 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.711 -18.314 -42.043 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.798 -16.081 -41.194 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.340 -17.086 -41.970 1.00 75.02 C ATOM 0 H PHE A 67 3.418 -18.235 -38.935 1.00 31.33 H new ATOM 0 HA PHE A 67 4.434 -16.677 -41.138 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.648 -17.053 -38.983 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.749 -18.764 -39.352 1.00 14.00 H new ATOM 0 HD1 PHE A 67 7.052 -19.493 -41.406 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.205 -15.515 -39.892 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.134 -19.103 -42.647 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.289 -15.121 -41.132 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.254 -16.913 -42.519 1.00 75.02 H new ATOM 1074 N ARG A 68 3.966 -19.906 -41.433 1.00 35.20 N ATOM 1075 CA ARG A 68 3.928 -21.009 -42.385 1.00 13.24 C ATOM 1076 C ARG A 68 2.812 -20.808 -43.407 1.00 42.44 C ATOM 1077 O ARG A 68 2.679 -21.579 -44.356 1.00 51.04 O ATOM 1078 CB ARG A 68 3.731 -22.338 -41.652 1.00 65.20 C ATOM 1079 CG ARG A 68 5.029 -23.071 -41.360 1.00 50.00 C ATOM 1080 CD ARG A 68 4.807 -24.570 -41.235 1.00 44.21 C ATOM 1081 NE ARG A 68 4.352 -25.162 -42.490 1.00 1.04 N ATOM 1082 CZ ARG A 68 4.003 -26.438 -42.617 1.00 43.45 C ATOM 1083 NH1 ARG A 68 4.054 -27.250 -41.570 1.00 73.52 N ATOM 1084 NH2 ARG A 68 3.599 -26.902 -43.793 1.00 33.20 N ATOM 0 H ARG A 68 3.573 -20.125 -40.518 1.00 35.20 H new ATOM 0 HA ARG A 68 4.881 -21.032 -42.914 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.210 -22.151 -40.713 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.087 -22.982 -42.251 1.00 65.20 H new ATOM 0 HG2 ARG A 68 5.747 -22.874 -42.156 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.464 -22.688 -40.437 1.00 50.00 H new ATOM 0 HD2 ARG A 68 5.735 -25.049 -40.924 1.00 44.21 H new ATOM 0 HD3 ARG A 68 4.071 -24.764 -40.455 1.00 44.21 H new ATOM 0 HE ARG A 68 4.299 -24.563 -43.314 1.00 1.04 H new ATOM 0 HH11 ARG A 68 4.362 -26.896 -40.664 1.00 73.52 H new ATOM 0 HH12 ARG A 68 3.786 -28.229 -41.670 1.00 73.52 H new ATOM 0 HH21 ARG A 68 3.556 -26.279 -44.600 1.00 33.20 H new ATOM 0 HH22 ARG A 68 3.331 -27.881 -43.890 1.00 33.20 H new ATOM 1098 N LYS A 69 2.013 -19.767 -43.204 1.00 73.43 N ATOM 1099 CA LYS A 69 0.908 -19.462 -44.105 1.00 73.42 C ATOM 1100 C LYS A 69 1.418 -19.186 -45.516 1.00 41.12 C ATOM 1101 O LYS A 69 0.864 -19.684 -46.497 1.00 52.53 O ATOM 1102 CB LYS A 69 0.121 -18.255 -43.591 1.00 31.13 C ATOM 1103 CG LYS A 69 -0.816 -18.586 -42.441 1.00 71.24 C ATOM 1104 CD LYS A 69 -2.238 -18.815 -42.928 1.00 50.32 C ATOM 1105 CE LYS A 69 -3.204 -18.985 -41.765 1.00 72.15 C ATOM 1106 NZ LYS A 69 -4.623 -18.974 -42.218 1.00 71.33 N ATOM 0 H LYS A 69 2.110 -19.119 -42.422 1.00 73.43 H new ATOM 0 HA LYS A 69 0.249 -20.330 -44.138 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.822 -17.485 -43.268 1.00 31.13 H new ATOM 0 HB3 LYS A 69 -0.459 -17.833 -44.412 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -0.459 -19.477 -41.925 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -0.805 -17.772 -41.716 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -2.553 -17.973 -43.544 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -2.269 -19.702 -43.561 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -2.994 -19.923 -41.252 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -3.047 -18.184 -41.042 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -5.250 -19.092 -41.397 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -4.831 -18.069 -42.685 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -4.779 -19.754 -42.888 1.00 71.33 H new ATOM 1120 N LEU A 70 2.478 -18.391 -45.611 1.00 1.50 N ATOM 1121 CA LEU A 70 3.064 -18.049 -46.903 1.00 30.25 C ATOM 1122 C LEU A 70 4.040 -19.128 -47.361 1.00 52.51 C ATOM 1123 O LEU A 70 4.576 -19.895 -46.560 1.00 53.44 O ATOM 1124 CB LEU A 70 3.781 -16.700 -46.819 1.00 30.13 C ATOM 1125 CG LEU A 70 2.913 -15.464 -47.052 1.00 75.04 C ATOM 1126 CD1 LEU A 70 1.657 -15.523 -46.197 1.00 23.34 C ATOM 1127 CD2 LEU A 70 3.702 -14.195 -46.759 1.00 52.00 C ATOM 0 H LEU A 70 2.949 -17.971 -44.810 1.00 1.50 H new ATOM 0 HA LEU A 70 2.258 -17.980 -47.633 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.241 -16.616 -45.834 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.590 -16.695 -47.550 1.00 30.13 H new ATOM 0 HG LEU A 70 2.613 -15.448 -48.100 1.00 75.04 H new ATOM 0 HD11 LEU A 70 1.052 -14.634 -46.377 1.00 23.34 H new ATOM 0 HD12 LEU A 70 1.082 -16.412 -46.456 1.00 23.34 H new ATOM 0 HD13 LEU A 70 1.935 -15.565 -45.144 1.00 23.34 H new ATOM 0 HD21 LEU A 70 3.068 -13.325 -46.930 1.00 52.00 H new ATOM 0 HD22 LEU A 70 4.033 -14.204 -45.721 1.00 52.00 H new ATOM 0 HD23 LEU A 70 4.570 -14.146 -47.416 1.00 52.00 H new ATOM 1139 N PRO A 71 4.277 -19.191 -48.679 1.00 40.12 N ATOM 1140 CA PRO A 71 5.193 -20.170 -49.273 1.00 21.41 C ATOM 1141 C PRO A 71 6.649 -19.890 -48.924 1.00 4.43 C ATOM 1142 O PRO A 71 6.955 -18.917 -48.235 1.00 61.04 O ATOM 1143 CB PRO A 71 4.961 -20.005 -50.777 1.00 10.33 C ATOM 1144 CG PRO A 71 4.468 -18.607 -50.933 1.00 64.15 C ATOM 1145 CD PRO A 71 3.673 -18.308 -49.691 1.00 72.42 C ATOM 0 HA PRO A 71 5.004 -21.179 -48.907 1.00 21.41 H new ATOM 0 HB2 PRO A 71 5.881 -20.166 -51.339 1.00 10.33 H new ATOM 0 HB3 PRO A 71 4.231 -20.726 -51.147 1.00 10.33 H new ATOM 0 HG2 PRO A 71 5.299 -17.910 -51.042 1.00 64.15 H new ATOM 0 HG3 PRO A 71 3.850 -18.508 -51.825 1.00 64.15 H new ATOM 0 HD2 PRO A 71 3.751 -17.259 -49.407 1.00 72.42 H new ATOM 0 HD3 PRO A 71 2.613 -18.522 -49.831 1.00 72.42 H new ATOM 1153 N GLU A 72 7.545 -20.748 -49.403 1.00 64.42 N ATOM 1154 CA GLU A 72 8.970 -20.591 -49.140 1.00 2.33 C ATOM 1155 C GLU A 72 9.539 -19.406 -49.915 1.00 32.21 C ATOM 1156 O GLU A 72 10.431 -18.706 -49.435 1.00 64.11 O ATOM 1157 CB GLU A 72 9.724 -21.869 -49.513 1.00 3.30 C ATOM 1158 CG GLU A 72 9.845 -22.861 -48.368 1.00 14.02 C ATOM 1159 CD GLU A 72 10.784 -22.381 -47.277 1.00 23.34 C ATOM 1160 OE1 GLU A 72 11.663 -21.546 -47.576 1.00 4.25 O ATOM 1161 OE2 GLU A 72 10.638 -22.840 -46.126 1.00 2.14 O ATOM 0 H GLU A 72 7.309 -21.559 -49.975 1.00 64.42 H new ATOM 0 HA GLU A 72 9.098 -20.401 -48.074 1.00 2.33 H new ATOM 0 HB2 GLU A 72 9.215 -22.351 -50.348 1.00 3.30 H new ATOM 0 HB3 GLU A 72 10.723 -21.603 -49.860 1.00 3.30 H new ATOM 0 HG2 GLU A 72 8.858 -23.039 -47.941 1.00 14.02 H new ATOM 0 HG3 GLU A 72 10.202 -23.815 -48.755 1.00 14.02 H new ATOM 1168 N ASP A 73 9.018 -19.189 -51.119 1.00 54.44 N ATOM 1169 CA ASP A 73 9.474 -18.090 -51.961 1.00 22.54 C ATOM 1170 C ASP A 73 9.081 -16.745 -51.360 1.00 73.43 C ATOM 1171 O ASP A 73 9.918 -15.858 -51.196 1.00 20.35 O ATOM 1172 CB ASP A 73 8.890 -18.224 -53.370 1.00 11.40 C ATOM 1173 CG ASP A 73 9.018 -19.631 -53.918 1.00 35.22 C ATOM 1174 OD1 ASP A 73 10.119 -20.211 -53.813 1.00 64.21 O ATOM 1175 OD2 ASP A 73 8.017 -20.153 -54.454 1.00 60.34 O ATOM 0 H ASP A 73 8.280 -19.760 -51.532 1.00 54.44 H new ATOM 0 HA ASP A 73 10.561 -18.136 -52.020 1.00 22.54 H new ATOM 0 HB2 ASP A 73 7.838 -17.938 -53.353 1.00 11.40 H new ATOM 0 HB3 ASP A 73 9.398 -17.529 -54.038 1.00 11.40 H new ATOM 1180 N VAL A 74 7.800 -16.600 -51.034 1.00 22.21 N ATOM 1181 CA VAL A 74 7.295 -15.362 -50.450 1.00 51.24 C ATOM 1182 C VAL A 74 7.908 -15.113 -49.078 1.00 71.30 C ATOM 1183 O VAL A 74 8.086 -13.966 -48.665 1.00 64.14 O ATOM 1184 CB VAL A 74 5.761 -15.389 -50.319 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.271 -14.180 -49.538 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.109 -15.447 -51.692 1.00 20.32 C ATOM 0 H VAL A 74 7.093 -17.324 -51.164 1.00 22.21 H new ATOM 0 HA VAL A 74 7.580 -14.554 -51.124 1.00 51.24 H new ATOM 0 HB VAL A 74 5.477 -16.287 -49.770 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.185 -14.216 -49.456 1.00 2.42 H new ATOM 0 HG12 VAL A 74 5.711 -14.188 -48.541 1.00 2.42 H new ATOM 0 HG13 VAL A 74 5.565 -13.268 -50.057 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.025 -15.465 -51.580 1.00 20.32 H new ATOM 0 HG22 VAL A 74 5.399 -14.569 -52.270 1.00 20.32 H new ATOM 0 HG23 VAL A 74 5.435 -16.348 -52.212 1.00 20.32 H new ATOM 1196 N ARG A 75 8.230 -16.192 -48.374 1.00 32.22 N ATOM 1197 CA ARG A 75 8.823 -16.091 -47.046 1.00 2.22 C ATOM 1198 C ARG A 75 10.326 -15.846 -47.139 1.00 43.01 C ATOM 1199 O ARG A 75 10.933 -15.296 -46.220 1.00 52.32 O ATOM 1200 CB ARG A 75 8.552 -17.365 -46.243 1.00 70.20 C ATOM 1201 CG ARG A 75 7.152 -17.426 -45.654 1.00 33.21 C ATOM 1202 CD ARG A 75 6.988 -16.444 -44.504 1.00 64.25 C ATOM 1203 NE ARG A 75 6.502 -15.145 -44.960 1.00 60.01 N ATOM 1204 CZ ARG A 75 6.061 -14.196 -44.141 1.00 52.41 C ATOM 1205 NH1 ARG A 75 6.045 -14.402 -42.831 1.00 43.22 N ATOM 1206 NH2 ARG A 75 5.634 -13.040 -44.631 1.00 22.23 N ATOM 0 H ARG A 75 8.090 -17.148 -48.701 1.00 32.22 H new ATOM 0 HA ARG A 75 8.365 -15.244 -46.535 1.00 2.22 H new ATOM 0 HB2 ARG A 75 8.704 -18.230 -46.888 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.281 -17.438 -45.435 1.00 70.20 H new ATOM 0 HG2 ARG A 75 6.420 -17.205 -46.430 1.00 33.21 H new ATOM 0 HG3 ARG A 75 6.948 -18.437 -45.302 1.00 33.21 H new ATOM 0 HD2 ARG A 75 6.292 -16.855 -43.772 1.00 64.25 H new ATOM 0 HD3 ARG A 75 7.945 -16.316 -43.997 1.00 64.25 H new ATOM 0 HE ARG A 75 6.501 -14.955 -45.962 1.00 60.01 H new ATOM 0 HH11 ARG A 75 6.372 -15.290 -42.450 1.00 43.22 H new ATOM 0 HH12 ARG A 75 5.706 -13.672 -42.204 1.00 43.22 H new ATOM 0 HH21 ARG A 75 5.644 -12.878 -45.638 1.00 22.23 H new ATOM 0 HH22 ARG A 75 5.296 -12.313 -44.001 1.00 22.23 H new ATOM 1220 N SER A 76 10.920 -16.259 -48.254 1.00 13.42 N ATOM 1221 CA SER A 76 12.353 -16.088 -48.465 1.00 72.25 C ATOM 1222 C SER A 76 12.659 -14.697 -49.010 1.00 24.11 C ATOM 1223 O SER A 76 13.766 -14.185 -48.846 1.00 72.30 O ATOM 1224 CB SER A 76 12.877 -17.153 -49.431 1.00 52.34 C ATOM 1225 OG SER A 76 14.085 -16.737 -50.043 1.00 11.12 O ATOM 0 H SER A 76 10.431 -16.714 -49.025 1.00 13.42 H new ATOM 0 HA SER A 76 12.854 -16.201 -47.503 1.00 72.25 H new ATOM 0 HB2 SER A 76 13.041 -18.087 -48.893 1.00 52.34 H new ATOM 0 HB3 SER A 76 12.128 -17.354 -50.197 1.00 52.34 H new ATOM 0 HG SER A 76 14.400 -17.436 -50.654 1.00 11.12 H new ATOM 1231 N ASN A 77 11.671 -14.091 -49.659 1.00 61.11 N ATOM 1232 CA ASN A 77 11.834 -12.759 -50.229 1.00 63.22 C ATOM 1233 C ASN A 77 11.342 -11.688 -49.260 1.00 4.51 C ATOM 1234 O ASN A 77 11.043 -10.563 -49.660 1.00 30.21 O ATOM 1235 CB ASN A 77 11.075 -12.651 -51.553 1.00 34.15 C ATOM 1236 CG ASN A 77 11.867 -13.208 -52.720 1.00 2.31 C ATOM 1237 OD1 ASN A 77 12.245 -12.475 -53.635 1.00 62.33 O ATOM 1238 ND2 ASN A 77 12.122 -14.511 -52.694 1.00 63.33 N ATOM 0 H ASN A 77 10.748 -14.501 -49.803 1.00 61.11 H new ATOM 0 HA ASN A 77 12.896 -12.598 -50.412 1.00 63.22 H new ATOM 0 HB2 ASN A 77 10.129 -13.186 -51.471 1.00 34.15 H new ATOM 0 HB3 ASN A 77 10.834 -11.606 -51.747 1.00 34.15 H new ATOM 0 HD21 ASN A 77 12.651 -14.942 -53.452 1.00 63.33 H new ATOM 0 HD22 ASN A 77 11.789 -15.080 -51.916 1.00 63.33 H new ATOM 1245 N VAL A 78 11.261 -12.046 -47.982 1.00 54.35 N ATOM 1246 CA VAL A 78 10.807 -11.117 -46.955 1.00 25.14 C ATOM 1247 C VAL A 78 11.880 -10.082 -46.636 1.00 53.34 C ATOM 1248 O VAL A 78 13.035 -10.429 -46.383 1.00 13.31 O ATOM 1249 CB VAL A 78 10.422 -11.856 -45.660 1.00 24.53 C ATOM 1250 CG1 VAL A 78 11.618 -12.607 -45.096 1.00 61.22 C ATOM 1251 CG2 VAL A 78 9.863 -10.880 -44.636 1.00 61.01 C ATOM 0 H VAL A 78 11.504 -12.973 -47.634 1.00 54.35 H new ATOM 0 HA VAL A 78 9.926 -10.612 -47.353 1.00 25.14 H new ATOM 0 HB VAL A 78 9.646 -12.584 -45.896 1.00 24.53 H new ATOM 0 HG11 VAL A 78 11.326 -13.123 -44.181 1.00 61.22 H new ATOM 0 HG12 VAL A 78 11.968 -13.336 -45.827 1.00 61.22 H new ATOM 0 HG13 VAL A 78 12.419 -11.902 -44.875 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.596 -11.419 -43.727 1.00 61.01 H new ATOM 0 HG22 VAL A 78 10.615 -10.126 -44.403 1.00 61.01 H new ATOM 0 HG23 VAL A 78 8.976 -10.394 -45.043 1.00 61.01 H new ATOM 1261 N ASP A 79 11.494 -8.812 -46.649 1.00 75.02 N ATOM 1262 CA ASP A 79 12.422 -7.726 -46.359 1.00 32.13 C ATOM 1263 C ASP A 79 11.857 -6.797 -45.289 1.00 22.35 C ATOM 1264 O ASP A 79 10.782 -7.045 -44.744 1.00 11.20 O ATOM 1265 CB ASP A 79 12.726 -6.934 -47.632 1.00 14.11 C ATOM 1266 CG ASP A 79 12.945 -7.830 -48.834 1.00 70.21 C ATOM 1267 OD1 ASP A 79 13.574 -8.897 -48.672 1.00 63.45 O ATOM 1268 OD2 ASP A 79 12.488 -7.465 -49.939 1.00 12.03 O ATOM 0 H ASP A 79 10.543 -8.508 -46.858 1.00 75.02 H new ATOM 0 HA ASP A 79 13.347 -8.163 -45.982 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.901 -6.251 -47.837 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.614 -6.322 -47.472 1.00 14.11 H new ATOM 1273 N ALA A 80 12.590 -5.729 -44.994 1.00 44.44 N ATOM 1274 CA ALA A 80 12.161 -4.764 -43.989 1.00 1.03 C ATOM 1275 C ALA A 80 10.878 -4.059 -44.418 1.00 60.14 C ATOM 1276 O ALA A 80 9.877 -4.083 -43.703 1.00 3.35 O ATOM 1277 CB ALA A 80 13.263 -3.747 -43.731 1.00 43.13 C ATOM 0 H ALA A 80 13.483 -5.510 -45.436 1.00 44.44 H new ATOM 0 HA ALA A 80 11.956 -5.305 -43.065 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.930 -3.032 -42.979 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.156 -4.260 -43.373 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.494 -3.219 -44.656 1.00 43.13 H new ATOM 1283 N ALA A 81 10.916 -3.431 -45.589 1.00 21.32 N ATOM 1284 CA ALA A 81 9.756 -2.721 -46.113 1.00 55.31 C ATOM 1285 C ALA A 81 8.519 -3.612 -46.109 1.00 31.04 C ATOM 1286 O ALA A 81 7.506 -3.282 -45.492 1.00 33.41 O ATOM 1287 CB ALA A 81 10.039 -2.214 -47.519 1.00 13.35 C ATOM 0 H ALA A 81 11.738 -3.400 -46.192 1.00 21.32 H new ATOM 0 HA ALA A 81 9.559 -1.868 -45.464 1.00 55.31 H new ATOM 0 HB1 ALA A 81 9.164 -1.686 -47.898 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.891 -1.535 -47.496 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.264 -3.058 -48.171 1.00 13.35 H new ATOM 1293 N SER A 82 8.608 -4.743 -46.802 1.00 54.12 N ATOM 1294 CA SER A 82 7.494 -5.680 -46.883 1.00 14.13 C ATOM 1295 C SER A 82 7.013 -6.073 -45.489 1.00 30.51 C ATOM 1296 O SER A 82 5.817 -6.036 -45.199 1.00 1.33 O ATOM 1297 CB SER A 82 7.905 -6.929 -47.663 1.00 73.02 C ATOM 1298 OG SER A 82 7.198 -8.070 -47.210 1.00 11.21 O ATOM 0 H SER A 82 9.440 -5.032 -47.315 1.00 54.12 H new ATOM 0 HA SER A 82 6.675 -5.187 -47.407 1.00 14.13 H new ATOM 0 HB2 SER A 82 7.714 -6.777 -48.725 1.00 73.02 H new ATOM 0 HB3 SER A 82 8.977 -7.094 -47.552 1.00 73.02 H new ATOM 0 HG SER A 82 7.478 -8.855 -47.726 1.00 11.21 H new ATOM 1304 N ALA A 83 7.955 -6.450 -44.630 1.00 34.11 N ATOM 1305 CA ALA A 83 7.629 -6.848 -43.266 1.00 62.10 C ATOM 1306 C ALA A 83 6.758 -5.800 -42.581 1.00 53.55 C ATOM 1307 O ALA A 83 5.753 -6.130 -41.950 1.00 1.10 O ATOM 1308 CB ALA A 83 8.902 -7.084 -42.467 1.00 14.31 C ATOM 0 H ALA A 83 8.949 -6.488 -44.855 1.00 34.11 H new ATOM 0 HA ALA A 83 7.063 -7.779 -43.311 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.644 -7.381 -41.450 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.486 -7.874 -42.938 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.489 -6.166 -42.439 1.00 14.31 H new ATOM 1314 N ARG A 84 7.149 -4.537 -42.709 1.00 14.24 N ATOM 1315 CA ARG A 84 6.406 -3.440 -42.100 1.00 42.23 C ATOM 1316 C ARG A 84 5.030 -3.295 -42.743 1.00 55.53 C ATOM 1317 O ARG A 84 4.042 -3.017 -42.062 1.00 43.13 O ATOM 1318 CB ARG A 84 7.184 -2.131 -42.234 1.00 72.41 C ATOM 1319 CG ARG A 84 8.491 -2.117 -41.457 1.00 43.35 C ATOM 1320 CD ARG A 84 9.248 -0.815 -41.666 1.00 30.14 C ATOM 1321 NE ARG A 84 10.014 -0.822 -42.911 1.00 24.42 N ATOM 1322 CZ ARG A 84 10.513 0.274 -43.473 1.00 23.24 C ATOM 1323 NH1 ARG A 84 10.327 1.458 -42.905 1.00 30.24 N ATOM 1324 NH2 ARG A 84 11.199 0.187 -44.605 1.00 14.35 N ATOM 0 H ARG A 84 7.977 -4.247 -43.229 1.00 14.24 H new ATOM 0 HA ARG A 84 6.273 -3.667 -41.042 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.396 -1.950 -43.288 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.557 -1.309 -41.889 1.00 72.41 H new ATOM 0 HG2 ARG A 84 8.286 -2.254 -40.395 1.00 43.35 H new ATOM 0 HG3 ARG A 84 9.112 -2.955 -41.772 1.00 43.35 H new ATOM 0 HD2 ARG A 84 8.543 0.016 -41.678 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.922 -0.649 -40.826 1.00 30.14 H new ATOM 0 HE ARG A 84 10.174 -1.717 -43.374 1.00 24.42 H new ATOM 0 HH11 ARG A 84 9.800 1.529 -42.035 1.00 30.24 H new ATOM 0 HH12 ARG A 84 10.711 2.298 -43.339 1.00 30.24 H new ATOM 0 HH21 ARG A 84 11.344 -0.722 -45.045 1.00 14.35 H new ATOM 0 HH22 ARG A 84 11.582 1.029 -45.035 1.00 14.35 H new ATOM 1338 N GLU A 85 4.973 -3.485 -44.058 1.00 51.11 N ATOM 1339 CA GLU A 85 3.718 -3.373 -44.792 1.00 55.12 C ATOM 1340 C GLU A 85 2.734 -4.456 -44.357 1.00 1.33 C ATOM 1341 O GLU A 85 1.570 -4.176 -44.070 1.00 32.23 O ATOM 1342 CB GLU A 85 3.971 -3.473 -46.297 1.00 75.34 C ATOM 1343 CG GLU A 85 4.745 -2.295 -46.864 1.00 45.21 C ATOM 1344 CD GLU A 85 3.842 -1.157 -47.297 1.00 21.03 C ATOM 1345 OE1 GLU A 85 2.855 -0.880 -46.585 1.00 42.31 O ATOM 1346 OE2 GLU A 85 4.123 -0.543 -48.347 1.00 3.32 O ATOM 0 H GLU A 85 5.781 -3.717 -44.636 1.00 51.11 H new ATOM 0 HA GLU A 85 3.282 -2.399 -44.568 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.520 -4.391 -46.504 1.00 75.34 H new ATOM 0 HB3 GLU A 85 3.014 -3.551 -46.813 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.447 -1.931 -46.113 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.335 -2.630 -47.717 1.00 45.21 H new ATOM 1353 N LEU A 86 3.212 -5.696 -44.311 1.00 22.40 N ATOM 1354 CA LEU A 86 2.376 -6.823 -43.912 1.00 21.33 C ATOM 1355 C LEU A 86 1.884 -6.655 -42.478 1.00 20.32 C ATOM 1356 O LEU A 86 0.687 -6.749 -42.208 1.00 2.34 O ATOM 1357 CB LEU A 86 3.154 -8.133 -44.046 1.00 74.11 C ATOM 1358 CG LEU A 86 3.676 -8.463 -45.445 1.00 10.31 C ATOM 1359 CD1 LEU A 86 4.776 -9.510 -45.371 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.540 -8.943 -46.337 1.00 0.22 C ATOM 0 H LEU A 86 4.173 -5.945 -44.545 1.00 22.40 H new ATOM 0 HA LEU A 86 1.510 -6.853 -44.573 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.002 -8.100 -43.362 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.511 -8.950 -43.718 1.00 74.11 H new ATOM 0 HG LEU A 86 4.095 -7.556 -45.880 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.135 -9.732 -46.376 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.600 -9.130 -44.767 1.00 65.15 H new ATOM 0 HD13 LEU A 86 4.383 -10.420 -44.917 1.00 65.15 H new ATOM 0 HD21 LEU A 86 2.929 -9.174 -47.329 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.092 -9.838 -45.906 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.784 -8.161 -46.416 1.00 0.22 H new ATOM 1372 N MET A 87 2.815 -6.405 -41.563 1.00 55.22 N ATOM 1373 CA MET A 87 2.475 -6.221 -40.157 1.00 3.41 C ATOM 1374 C MET A 87 1.556 -5.017 -39.973 1.00 3.31 C ATOM 1375 O MET A 87 0.703 -5.005 -39.084 1.00 33.02 O ATOM 1376 CB MET A 87 3.744 -6.039 -39.323 1.00 13.51 C ATOM 1377 CG MET A 87 4.299 -7.341 -38.769 1.00 72.40 C ATOM 1378 SD MET A 87 4.804 -8.490 -40.064 1.00 23.01 S ATOM 1379 CE MET A 87 3.301 -9.441 -40.278 1.00 34.44 C ATOM 0 H MET A 87 3.811 -6.325 -41.770 1.00 55.22 H new ATOM 0 HA MET A 87 1.949 -7.113 -39.817 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.507 -5.560 -39.937 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.531 -5.363 -38.495 1.00 13.51 H new ATOM 0 HG2 MET A 87 5.154 -7.123 -38.129 1.00 72.40 H new ATOM 0 HG3 MET A 87 3.544 -7.815 -38.142 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.535 -10.505 -40.242 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.599 -9.196 -39.481 1.00 34.44 H new ATOM 0 HE3 MET A 87 2.853 -9.201 -41.242 1.00 34.44 H new ATOM 1389 N LEU A 88 1.735 -4.008 -40.819 1.00 0.04 N ATOM 1390 CA LEU A 88 0.921 -2.799 -40.749 1.00 32.32 C ATOM 1391 C LEU A 88 -0.536 -3.102 -41.086 1.00 31.41 C ATOM 1392 O LEU A 88 -1.440 -2.792 -40.311 1.00 51.04 O ATOM 1393 CB LEU A 88 1.466 -1.738 -41.706 1.00 71.42 C ATOM 1394 CG LEU A 88 0.665 -0.437 -41.794 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.582 0.735 -42.104 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -0.428 -0.555 -42.846 1.00 33.15 C ATOM 0 H LEU A 88 2.435 -4.003 -41.560 1.00 0.04 H new ATOM 0 HA LEU A 88 0.967 -2.419 -39.729 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.485 -1.494 -41.404 1.00 71.42 H new ATOM 0 HB3 LEU A 88 1.525 -2.173 -42.704 1.00 71.42 H new ATOM 0 HG LEU A 88 0.194 -0.256 -40.828 1.00 15.31 H new ATOM 0 HD11 LEU A 88 0.994 1.651 -42.163 1.00 0.02 H new ATOM 0 HD12 LEU A 88 2.328 0.832 -41.315 1.00 0.02 H new ATOM 0 HD13 LEU A 88 2.082 0.563 -43.057 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -0.988 0.379 -42.895 1.00 33.15 H new ATOM 0 HD22 LEU A 88 0.022 -0.760 -43.817 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -1.103 -1.369 -42.580 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.755 -3.714 -42.245 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.100 -4.064 -42.682 1.00 72.31 C ATOM 1410 C ALA A 89 -2.697 -5.156 -41.801 1.00 53.31 C ATOM 1411 O ALA A 89 -3.832 -5.042 -41.340 1.00 61.11 O ATOM 1412 CB ALA A 89 -2.084 -4.507 -44.137 1.00 53.34 C ATOM 0 H ALA A 89 -0.017 -3.978 -42.898 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.727 -3.177 -42.591 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -3.096 -4.765 -44.450 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.708 -3.696 -44.760 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.437 -5.378 -44.245 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.925 -6.213 -41.571 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.379 -7.326 -40.747 1.00 12.45 C ATOM 1420 C GLN A 90 -1.431 -7.557 -39.575 1.00 41.24 C ATOM 1421 O GLN A 90 -0.595 -8.461 -39.589 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.489 -8.599 -41.586 1.00 3.41 C ATOM 1423 CG GLN A 90 -1.274 -8.857 -42.462 1.00 23.53 C ATOM 1424 CD GLN A 90 -1.475 -10.025 -43.410 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -1.144 -9.943 -44.593 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -2.019 -11.120 -42.893 1.00 33.14 N ATOM 0 H GLN A 90 -0.982 -6.322 -41.944 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.363 -7.074 -40.352 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.635 -9.451 -40.922 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -3.375 -8.532 -42.218 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -1.050 -7.960 -43.039 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -0.409 -9.053 -41.828 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -2.278 -11.144 -41.907 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -2.178 -11.937 -43.482 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.562 -6.720 -38.533 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.725 -6.814 -37.334 1.00 32.24 C ATOM 1437 C PRO A 91 -1.040 -8.053 -36.503 1.00 54.10 C ATOM 1438 O PRO A 91 -0.334 -8.363 -35.542 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.079 -5.545 -36.555 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.453 -5.192 -37.010 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.536 -5.620 -38.449 1.00 34.13 C ATOM 0 HA PRO A 91 0.333 -6.899 -37.581 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.051 -5.720 -35.479 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.373 -4.741 -36.766 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.206 -5.700 -36.408 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.634 -4.122 -36.910 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.540 -5.951 -38.713 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.281 -4.805 -39.126 1.00 34.13 H new ATOM 1449 N SER A 92 -2.101 -8.759 -36.879 1.00 20.51 N ATOM 1450 CA SER A 92 -2.510 -9.964 -36.166 1.00 11.34 C ATOM 1451 C SER A 92 -1.390 -10.999 -36.161 1.00 43.02 C ATOM 1452 O SER A 92 -1.365 -11.898 -35.322 1.00 60.53 O ATOM 1453 CB SER A 92 -3.767 -10.558 -36.805 1.00 1.20 C ATOM 1454 OG SER A 92 -3.489 -11.068 -38.098 1.00 33.02 O ATOM 0 H SER A 92 -2.693 -8.518 -37.673 1.00 20.51 H new ATOM 0 HA SER A 92 -2.731 -9.689 -35.135 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.158 -11.355 -36.173 1.00 1.20 H new ATOM 0 HB3 SER A 92 -4.541 -9.794 -36.871 1.00 1.20 H new ATOM 0 HG SER A 92 -4.308 -11.444 -38.484 1.00 33.02 H new ATOM 1460 N MET A 93 -0.464 -10.865 -37.106 1.00 64.00 N ATOM 1461 CA MET A 93 0.660 -11.788 -37.210 1.00 11.03 C ATOM 1462 C MET A 93 1.752 -11.430 -36.207 1.00 22.03 C ATOM 1463 O MET A 93 2.605 -12.256 -35.881 1.00 62.52 O ATOM 1464 CB MET A 93 1.231 -11.771 -38.629 1.00 21.24 C ATOM 1465 CG MET A 93 0.598 -12.801 -39.551 1.00 71.33 C ATOM 1466 SD MET A 93 0.556 -12.262 -41.270 1.00 63.23 S ATOM 1467 CE MET A 93 2.100 -12.939 -41.875 1.00 50.03 C ATOM 0 H MET A 93 -0.470 -10.127 -37.810 1.00 64.00 H new ATOM 0 HA MET A 93 0.297 -12.790 -36.983 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.091 -10.778 -39.056 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.305 -11.949 -38.582 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.154 -13.736 -39.481 1.00 71.33 H new ATOM 0 HG3 MET A 93 -0.418 -13.008 -39.214 1.00 71.33 H new ATOM 0 HE1 MET A 93 2.279 -12.586 -42.890 1.00 50.03 H new ATOM 0 HE2 MET A 93 2.917 -12.616 -41.229 1.00 50.03 H new ATOM 0 HE3 MET A 93 2.045 -14.028 -41.874 1.00 50.03 H new ATOM 1477 N VAL A 94 1.719 -10.194 -35.719 1.00 52.44 N ATOM 1478 CA VAL A 94 2.706 -9.728 -34.752 1.00 10.35 C ATOM 1479 C VAL A 94 2.715 -10.608 -33.508 1.00 43.41 C ATOM 1480 O VAL A 94 1.670 -11.080 -33.059 1.00 40.44 O ATOM 1481 CB VAL A 94 2.436 -8.270 -34.333 1.00 33.42 C ATOM 1482 CG1 VAL A 94 3.473 -7.804 -33.323 1.00 75.05 C ATOM 1483 CG2 VAL A 94 2.420 -7.360 -35.552 1.00 35.21 C ATOM 0 H VAL A 94 1.020 -9.498 -35.977 1.00 52.44 H new ATOM 0 HA VAL A 94 3.679 -9.785 -35.241 1.00 10.35 H new ATOM 0 HB VAL A 94 1.456 -8.222 -33.859 1.00 33.42 H new ATOM 0 HG11 VAL A 94 3.266 -6.772 -33.039 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.431 -8.439 -32.438 1.00 75.05 H new ATOM 0 HG13 VAL A 94 4.467 -7.866 -33.767 1.00 75.05 H new ATOM 0 HG21 VAL A 94 2.228 -6.334 -35.238 1.00 35.21 H new ATOM 0 HG22 VAL A 94 3.385 -7.410 -36.056 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.636 -7.683 -36.237 1.00 35.21 H new ATOM 1493 N LYS A 95 3.903 -10.828 -32.953 1.00 21.24 N ATOM 1494 CA LYS A 95 4.049 -11.652 -31.759 1.00 1.24 C ATOM 1495 C LYS A 95 3.120 -11.171 -30.649 1.00 13.35 C ATOM 1496 O LYS A 95 2.695 -10.016 -30.639 1.00 52.22 O ATOM 1497 CB LYS A 95 5.500 -11.624 -31.271 1.00 62.41 C ATOM 1498 CG LYS A 95 5.903 -12.864 -30.492 1.00 12.43 C ATOM 1499 CD LYS A 95 6.123 -14.053 -31.411 1.00 23.31 C ATOM 1500 CE LYS A 95 4.895 -14.949 -31.467 1.00 33.13 C ATOM 1501 NZ LYS A 95 5.263 -16.390 -31.552 1.00 64.41 N ATOM 0 H LYS A 95 4.778 -10.447 -33.312 1.00 21.24 H new ATOM 0 HA LYS A 95 3.777 -12.675 -32.018 1.00 1.24 H new ATOM 0 HB2 LYS A 95 6.162 -11.514 -32.130 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.646 -10.746 -30.642 1.00 62.41 H new ATOM 0 HG2 LYS A 95 6.816 -12.662 -29.932 1.00 12.43 H new ATOM 0 HG3 LYS A 95 5.129 -13.105 -29.763 1.00 12.43 H new ATOM 0 HD2 LYS A 95 6.363 -13.700 -32.414 1.00 23.31 H new ATOM 0 HD3 LYS A 95 6.980 -14.630 -31.063 1.00 23.31 H new ATOM 0 HE2 LYS A 95 4.283 -14.782 -30.581 1.00 33.13 H new ATOM 0 HE3 LYS A 95 4.287 -14.678 -32.330 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 4.519 -16.909 -32.061 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 6.164 -16.489 -32.062 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 5.363 -16.780 -30.593 1.00 64.41 H new ATOM 1515 N ARG A 96 2.809 -12.065 -29.717 1.00 23.43 N ATOM 1516 CA ARG A 96 1.929 -11.732 -28.602 1.00 52.42 C ATOM 1517 C ARG A 96 1.915 -12.853 -27.566 1.00 73.24 C ATOM 1518 O ARG A 96 2.263 -13.999 -27.852 1.00 25.00 O ATOM 1519 CB ARG A 96 0.508 -11.472 -29.106 1.00 2.41 C ATOM 1520 CG ARG A 96 0.130 -12.304 -30.320 1.00 32.35 C ATOM 1521 CD ARG A 96 0.233 -13.793 -30.029 1.00 1.31 C ATOM 1522 NE ARG A 96 -0.471 -14.160 -28.804 1.00 4.33 N ATOM 1523 CZ ARG A 96 -1.795 -14.187 -28.696 1.00 22.53 C ATOM 1524 NH1 ARG A 96 -2.554 -13.869 -29.736 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -2.363 -14.531 -27.548 1.00 31.42 N ATOM 0 H ARG A 96 3.153 -13.025 -29.711 1.00 23.43 H new ATOM 0 HA ARG A 96 2.311 -10.828 -28.129 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.197 -11.678 -28.301 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.408 -10.416 -29.355 1.00 2.41 H new ATOM 0 HG2 ARG A 96 -0.888 -12.062 -30.626 1.00 32.35 H new ATOM 0 HG3 ARG A 96 0.783 -12.049 -31.155 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -0.179 -14.356 -30.867 1.00 1.31 H new ATOM 0 HD3 ARG A 96 1.283 -14.074 -29.942 1.00 1.31 H new ATOM 0 HE ARG A 96 0.084 -14.410 -27.986 1.00 4.33 H new ATOM 0 HH11 ARG A 96 -2.122 -13.603 -30.621 1.00 21.10 H new ATOM 0 HH12 ARG A 96 -3.570 -13.890 -29.651 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -1.783 -14.776 -26.745 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -3.380 -14.551 -27.468 1.00 31.42 H new ATOM 1539 N PRO A 97 1.504 -12.516 -26.335 1.00 5.45 N ATOM 1540 CA PRO A 97 1.087 -11.155 -25.985 1.00 55.21 C ATOM 1541 C PRO A 97 2.257 -10.178 -25.968 1.00 1.12 C ATOM 1542 O PRO A 97 3.414 -10.579 -25.838 1.00 11.34 O ATOM 1543 CB PRO A 97 0.503 -11.314 -24.578 1.00 63.23 C ATOM 1544 CG PRO A 97 1.178 -12.521 -24.022 1.00 53.40 C ATOM 1545 CD PRO A 97 1.414 -13.438 -25.191 1.00 14.11 C ATOM 0 HA PRO A 97 0.384 -10.745 -26.710 1.00 55.21 H new ATOM 0 HB2 PRO A 97 0.699 -10.434 -23.966 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.579 -11.445 -24.611 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.118 -12.255 -23.539 1.00 53.40 H new ATOM 0 HG3 PRO A 97 0.557 -13.003 -23.267 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.329 -14.017 -25.069 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.599 -14.151 -25.313 1.00 14.11 H new ATOM 1553 N VAL A 98 1.950 -8.891 -26.099 1.00 75.11 N ATOM 1554 CA VAL A 98 2.976 -7.855 -26.097 1.00 22.51 C ATOM 1555 C VAL A 98 2.741 -6.851 -24.974 1.00 20.24 C ATOM 1556 O VAL A 98 1.604 -6.464 -24.699 1.00 74.34 O ATOM 1557 CB VAL A 98 3.019 -7.104 -27.442 1.00 62.21 C ATOM 1558 CG1 VAL A 98 4.059 -5.996 -27.401 1.00 65.22 C ATOM 1559 CG2 VAL A 98 3.301 -8.071 -28.582 1.00 73.13 C ATOM 0 H VAL A 98 0.998 -8.541 -26.208 1.00 75.11 H new ATOM 0 HA VAL A 98 3.931 -8.356 -25.939 1.00 22.51 H new ATOM 0 HB VAL A 98 2.045 -6.648 -27.616 1.00 62.21 H new ATOM 0 HG11 VAL A 98 4.075 -5.477 -28.359 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.807 -5.290 -26.610 1.00 65.22 H new ATOM 0 HG13 VAL A 98 5.041 -6.426 -27.205 1.00 65.22 H new ATOM 0 HG21 VAL A 98 3.328 -7.524 -29.525 1.00 73.13 H new ATOM 0 HG22 VAL A 98 4.262 -8.558 -28.417 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.515 -8.825 -28.622 1.00 73.13 H new ATOM 1569 N LEU A 99 3.823 -6.432 -24.328 1.00 44.10 N ATOM 1570 CA LEU A 99 3.736 -5.471 -23.233 1.00 22.24 C ATOM 1571 C LEU A 99 4.385 -4.146 -23.619 1.00 30.44 C ATOM 1572 O LEU A 99 5.559 -4.102 -23.984 1.00 63.23 O ATOM 1573 CB LEU A 99 4.407 -6.034 -21.979 1.00 31.22 C ATOM 1574 CG LEU A 99 3.544 -6.951 -21.110 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.207 -8.232 -21.857 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.251 -7.265 -19.800 1.00 2.44 C ATOM 0 H LEU A 99 4.771 -6.742 -24.543 1.00 44.10 H new ATOM 0 HA LEU A 99 2.682 -5.291 -23.024 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.296 -6.586 -22.284 1.00 31.22 H new ATOM 0 HB3 LEU A 99 4.745 -5.199 -21.366 1.00 31.22 H new ATOM 0 HG LEU A 99 2.613 -6.433 -20.881 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.593 -8.872 -21.223 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.659 -7.989 -22.767 1.00 64.20 H new ATOM 0 HD13 LEU A 99 4.128 -8.755 -22.117 1.00 64.20 H new ATOM 0 HD21 LEU A 99 3.622 -7.918 -19.195 1.00 2.44 H new ATOM 0 HD22 LEU A 99 5.198 -7.763 -20.008 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.440 -6.339 -19.257 1.00 2.44 H new ATOM 1588 N GLU A 100 3.613 -3.067 -23.534 1.00 64.22 N ATOM 1589 CA GLU A 100 4.114 -1.741 -23.873 1.00 43.31 C ATOM 1590 C GLU A 100 4.131 -0.835 -22.645 1.00 30.33 C ATOM 1591 O GLU A 100 3.084 -0.514 -22.083 1.00 5.33 O ATOM 1592 CB GLU A 100 3.255 -1.112 -24.972 1.00 12.53 C ATOM 1593 CG GLU A 100 4.018 -0.148 -25.864 1.00 51.33 C ATOM 1594 CD GLU A 100 3.148 0.980 -26.383 1.00 23.35 C ATOM 1595 OE1 GLU A 100 2.298 1.474 -25.613 1.00 3.32 O ATOM 1596 OE2 GLU A 100 3.316 1.370 -27.557 1.00 13.23 O ATOM 0 H GLU A 100 2.639 -3.086 -23.233 1.00 64.22 H new ATOM 0 HA GLU A 100 5.136 -1.849 -24.238 1.00 43.31 H new ATOM 0 HB2 GLU A 100 2.830 -1.905 -25.588 1.00 12.53 H new ATOM 0 HB3 GLU A 100 2.420 -0.584 -24.511 1.00 12.53 H new ATOM 0 HG2 GLU A 100 4.856 0.271 -25.307 1.00 51.33 H new ATOM 0 HG3 GLU A 100 4.439 -0.695 -26.708 1.00 51.33 H new ATOM 1603 N ARG A 101 5.327 -0.427 -22.235 1.00 4.25 N ATOM 1604 CA ARG A 101 5.482 0.440 -21.073 1.00 32.41 C ATOM 1605 C ARG A 101 6.719 1.322 -21.213 1.00 74.21 C ATOM 1606 O ARG A 101 7.814 0.834 -21.491 1.00 12.55 O ATOM 1607 CB ARG A 101 5.581 -0.395 -19.796 1.00 44.21 C ATOM 1608 CG ARG A 101 5.114 0.338 -18.549 1.00 1.21 C ATOM 1609 CD ARG A 101 6.253 1.101 -17.892 1.00 54.35 C ATOM 1610 NE ARG A 101 7.222 0.205 -17.264 1.00 52.24 N ATOM 1611 CZ ARG A 101 7.043 -0.350 -16.070 1.00 25.22 C ATOM 1612 NH1 ARG A 101 5.938 -0.103 -15.379 1.00 24.34 N ATOM 1613 NH2 ARG A 101 7.969 -1.155 -15.566 1.00 11.44 N ATOM 0 H ARG A 101 6.203 -0.683 -22.690 1.00 4.25 H new ATOM 0 HA ARG A 101 4.604 1.082 -21.012 1.00 32.41 H new ATOM 0 HB2 ARG A 101 4.987 -1.301 -19.918 1.00 44.21 H new ATOM 0 HB3 ARG A 101 6.616 -0.708 -19.657 1.00 44.21 H new ATOM 0 HG2 ARG A 101 4.314 1.031 -18.811 1.00 1.21 H new ATOM 0 HG3 ARG A 101 4.697 -0.377 -17.840 1.00 1.21 H new ATOM 0 HD2 ARG A 101 6.757 1.714 -18.639 1.00 54.35 H new ATOM 0 HD3 ARG A 101 5.849 1.781 -17.142 1.00 54.35 H new ATOM 0 HE ARG A 101 8.082 -0.006 -17.770 1.00 52.24 H new ATOM 0 HH11 ARG A 101 5.223 0.514 -15.764 1.00 24.34 H new ATOM 0 HH12 ARG A 101 5.803 -0.530 -14.463 1.00 24.34 H new ATOM 0 HH21 ARG A 101 8.819 -1.348 -16.095 1.00 11.44 H new ATOM 0 HH22 ARG A 101 7.831 -1.581 -14.649 1.00 11.44 H new ATOM 1627 N ASP A 102 6.535 2.624 -21.019 1.00 73.03 N ATOM 1628 CA ASP A 102 7.636 3.576 -21.124 1.00 63.23 C ATOM 1629 C ASP A 102 8.264 3.528 -22.513 1.00 24.24 C ATOM 1630 O ASP A 102 9.480 3.652 -22.660 1.00 10.42 O ATOM 1631 CB ASP A 102 8.695 3.281 -20.060 1.00 41.13 C ATOM 1632 CG ASP A 102 9.602 4.468 -19.802 1.00 72.41 C ATOM 1633 OD1 ASP A 102 9.084 5.600 -19.704 1.00 22.03 O ATOM 1634 OD2 ASP A 102 10.830 4.265 -19.699 1.00 51.21 O ATOM 0 H ASP A 102 5.635 3.044 -20.788 1.00 73.03 H new ATOM 0 HA ASP A 102 7.237 4.577 -20.960 1.00 63.23 H new ATOM 0 HB2 ASP A 102 8.202 2.995 -19.131 1.00 41.13 H new ATOM 0 HB3 ASP A 102 9.297 2.429 -20.377 1.00 41.13 H new ATOM 1639 N GLY A 103 7.428 3.347 -23.530 1.00 2.43 N ATOM 1640 CA GLY A 103 7.920 3.285 -24.894 1.00 31.54 C ATOM 1641 C GLY A 103 8.772 2.057 -25.147 1.00 30.50 C ATOM 1642 O GLY A 103 9.588 2.038 -26.070 1.00 10.41 O ATOM 0 H GLY A 103 6.418 3.242 -23.434 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.075 3.285 -25.582 1.00 31.54 H new ATOM 0 HA3 GLY A 103 8.505 4.180 -25.107 1.00 31.54 H new ATOM 1646 N LYS A 104 8.585 1.029 -24.327 1.00 25.14 N ATOM 1647 CA LYS A 104 9.343 -0.208 -24.465 1.00 25.34 C ATOM 1648 C LYS A 104 8.414 -1.388 -24.737 1.00 14.23 C ATOM 1649 O LYS A 104 7.420 -1.583 -24.035 1.00 31.24 O ATOM 1650 CB LYS A 104 10.163 -0.473 -23.200 1.00 11.12 C ATOM 1651 CG LYS A 104 11.415 -1.297 -23.449 1.00 33.24 C ATOM 1652 CD LYS A 104 12.583 -0.422 -23.870 1.00 41.15 C ATOM 1653 CE LYS A 104 13.172 0.331 -22.688 1.00 4.32 C ATOM 1654 NZ LYS A 104 14.297 1.215 -23.098 1.00 32.45 N ATOM 0 H LYS A 104 7.914 1.028 -23.559 1.00 25.14 H new ATOM 0 HA LYS A 104 10.019 -0.097 -25.312 1.00 25.34 H new ATOM 0 HB2 LYS A 104 10.448 0.480 -22.755 1.00 11.12 H new ATOM 0 HB3 LYS A 104 9.537 -0.989 -22.473 1.00 11.12 H new ATOM 0 HG2 LYS A 104 11.677 -1.845 -22.544 1.00 33.24 H new ATOM 0 HG3 LYS A 104 11.216 -2.038 -24.224 1.00 33.24 H new ATOM 0 HD2 LYS A 104 13.354 -1.040 -24.329 1.00 41.15 H new ATOM 0 HD3 LYS A 104 12.252 0.289 -24.627 1.00 41.15 H new ATOM 0 HE2 LYS A 104 12.394 0.930 -22.215 1.00 4.32 H new ATOM 0 HE3 LYS A 104 13.524 -0.382 -21.942 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 14.671 1.711 -22.264 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 15.051 0.641 -23.527 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 13.956 1.912 -23.791 1.00 32.45 H new ATOM 1668 N LEU A 105 8.743 -2.171 -25.759 1.00 31.53 N ATOM 1669 CA LEU A 105 7.939 -3.333 -26.122 1.00 20.33 C ATOM 1670 C LEU A 105 8.593 -4.621 -25.635 1.00 75.31 C ATOM 1671 O LEU A 105 9.795 -4.820 -25.801 1.00 23.42 O ATOM 1672 CB LEU A 105 7.744 -3.388 -27.638 1.00 32.41 C ATOM 1673 CG LEU A 105 7.136 -4.677 -28.189 1.00 52.15 C ATOM 1674 CD1 LEU A 105 6.260 -4.381 -29.398 1.00 35.41 C ATOM 1675 CD2 LEU A 105 8.230 -5.671 -28.553 1.00 22.22 C ATOM 0 H LEU A 105 9.561 -2.022 -26.351 1.00 31.53 H new ATOM 0 HA LEU A 105 6.966 -3.237 -25.640 1.00 20.33 H new ATOM 0 HB2 LEU A 105 7.107 -2.554 -27.933 1.00 32.41 H new ATOM 0 HB3 LEU A 105 8.712 -3.234 -28.115 1.00 32.41 H new ATOM 0 HG LEU A 105 6.512 -5.121 -27.413 1.00 52.15 H new ATOM 0 HD11 LEU A 105 5.836 -5.311 -29.776 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.454 -3.707 -29.107 1.00 35.41 H new ATOM 0 HD13 LEU A 105 6.861 -3.913 -30.177 1.00 35.41 H new ATOM 0 HD21 LEU A 105 7.778 -6.583 -28.944 1.00 22.22 H new ATOM 0 HD22 LEU A 105 8.880 -5.235 -29.311 1.00 22.22 H new ATOM 0 HD23 LEU A 105 8.816 -5.908 -27.665 1.00 22.22 H new ATOM 1687 N MET A 106 7.791 -5.495 -25.034 1.00 74.33 N ATOM 1688 CA MET A 106 8.292 -6.767 -24.525 1.00 20.31 C ATOM 1689 C MET A 106 7.473 -7.932 -25.074 1.00 43.33 C ATOM 1690 O MET A 106 6.269 -7.804 -25.302 1.00 3.02 O ATOM 1691 CB MET A 106 8.256 -6.779 -22.997 1.00 44.33 C ATOM 1692 CG MET A 106 9.443 -6.079 -22.355 1.00 71.01 C ATOM 1693 SD MET A 106 9.274 -5.921 -20.567 1.00 50.21 S ATOM 1694 CE MET A 106 9.009 -4.157 -20.407 1.00 61.54 C ATOM 0 H MET A 106 6.793 -5.346 -24.888 1.00 74.33 H new ATOM 0 HA MET A 106 9.324 -6.882 -24.857 1.00 20.31 H new ATOM 0 HB2 MET A 106 7.337 -6.300 -22.660 1.00 44.33 H new ATOM 0 HB3 MET A 106 8.223 -7.812 -22.651 1.00 44.33 H new ATOM 0 HG2 MET A 106 10.353 -6.634 -22.582 1.00 71.01 H new ATOM 0 HG3 MET A 106 9.556 -5.088 -22.794 1.00 71.01 H new ATOM 0 HE1 MET A 106 8.886 -3.901 -19.354 1.00 61.54 H new ATOM 0 HE2 MET A 106 9.868 -3.622 -20.813 1.00 61.54 H new ATOM 0 HE3 MET A 106 8.112 -3.873 -20.956 1.00 61.54 H new ATOM 1704 N VAL A 107 8.132 -9.066 -25.285 1.00 75.01 N ATOM 1705 CA VAL A 107 7.466 -10.253 -25.805 1.00 61.12 C ATOM 1706 C VAL A 107 6.960 -11.141 -24.674 1.00 44.11 C ATOM 1707 O VAL A 107 7.662 -11.372 -23.690 1.00 61.33 O ATOM 1708 CB VAL A 107 8.406 -11.076 -26.707 1.00 11.11 C ATOM 1709 CG1 VAL A 107 8.711 -10.320 -27.990 1.00 22.41 C ATOM 1710 CG2 VAL A 107 9.687 -11.421 -25.963 1.00 1.13 C ATOM 0 H VAL A 107 9.128 -9.188 -25.103 1.00 75.01 H new ATOM 0 HA VAL A 107 6.619 -9.905 -26.397 1.00 61.12 H new ATOM 0 HB VAL A 107 7.905 -12.007 -26.974 1.00 11.11 H new ATOM 0 HG11 VAL A 107 9.376 -10.916 -28.614 1.00 22.41 H new ATOM 0 HG12 VAL A 107 7.783 -10.128 -28.529 1.00 22.41 H new ATOM 0 HG13 VAL A 107 9.193 -9.373 -27.748 1.00 22.41 H new ATOM 0 HG21 VAL A 107 10.340 -12.002 -26.614 1.00 1.13 H new ATOM 0 HG22 VAL A 107 10.194 -10.503 -25.666 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.446 -12.005 -25.075 1.00 1.13 H new ATOM 1720 N GLY A 108 5.735 -11.637 -24.820 1.00 3.25 N ATOM 1721 CA GLY A 108 5.155 -12.494 -23.803 1.00 34.24 C ATOM 1722 C GLY A 108 5.926 -13.787 -23.626 1.00 63.12 C ATOM 1723 O GLY A 108 6.557 -14.275 -24.564 1.00 74.34 O ATOM 0 H GLY A 108 5.134 -11.460 -25.625 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.127 -11.959 -22.854 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.124 -12.723 -24.070 1.00 34.24 H new ATOM 1727 N PHE A 109 5.877 -14.343 -22.420 1.00 65.53 N ATOM 1728 CA PHE A 109 6.578 -15.586 -22.122 1.00 34.22 C ATOM 1729 C PHE A 109 5.644 -16.592 -21.459 1.00 13.12 C ATOM 1730 O PHE A 109 4.641 -16.219 -20.849 1.00 33.42 O ATOM 1731 CB PHE A 109 7.780 -15.314 -21.214 1.00 43.33 C ATOM 1732 CG PHE A 109 8.812 -14.419 -21.839 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.511 -14.826 -22.964 1.00 74.21 C ATOM 1734 CD2 PHE A 109 9.085 -13.173 -21.299 1.00 64.54 C ATOM 1735 CE1 PHE A 109 10.462 -14.004 -23.541 1.00 22.11 C ATOM 1736 CE2 PHE A 109 10.035 -12.347 -21.872 1.00 30.44 C ATOM 1737 CZ PHE A 109 10.725 -12.765 -22.994 1.00 13.51 C ATOM 0 H PHE A 109 5.359 -13.952 -21.633 1.00 65.53 H new ATOM 0 HA PHE A 109 6.930 -16.009 -23.063 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.430 -14.860 -20.287 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.246 -16.263 -20.948 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.311 -15.796 -23.395 1.00 74.21 H new ATOM 0 HD2 PHE A 109 8.550 -12.843 -20.421 1.00 64.54 H new ATOM 0 HE1 PHE A 109 10.998 -14.332 -24.419 1.00 22.11 H new ATOM 0 HE2 PHE A 109 10.237 -11.377 -21.443 1.00 30.44 H new ATOM 0 HZ PHE A 109 11.469 -12.123 -23.442 1.00 13.51 H new ATOM 1747 N LYS A 110 5.978 -17.873 -21.583 1.00 53.10 N ATOM 1748 CA LYS A 110 5.171 -18.936 -20.997 1.00 31.01 C ATOM 1749 C LYS A 110 4.901 -18.662 -19.520 1.00 43.41 C ATOM 1750 O LYS A 110 5.595 -17.879 -18.872 1.00 73.41 O ATOM 1751 CB LYS A 110 5.874 -20.286 -21.155 1.00 1.21 C ATOM 1752 CG LYS A 110 5.441 -21.056 -22.390 1.00 30.45 C ATOM 1753 CD LYS A 110 5.775 -22.533 -22.272 1.00 25.15 C ATOM 1754 CE LYS A 110 5.270 -23.317 -23.474 1.00 71.12 C ATOM 1755 NZ LYS A 110 5.881 -24.672 -23.549 1.00 33.33 N ATOM 0 H LYS A 110 6.804 -18.200 -22.085 1.00 53.10 H new ATOM 0 HA LYS A 110 4.218 -18.966 -21.524 1.00 31.01 H new ATOM 0 HB2 LYS A 110 6.951 -20.123 -21.198 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.679 -20.894 -20.271 1.00 1.21 H new ATOM 0 HG2 LYS A 110 4.368 -20.935 -22.537 1.00 30.45 H new ATOM 0 HG3 LYS A 110 5.932 -20.640 -23.270 1.00 30.45 H new ATOM 0 HD2 LYS A 110 6.854 -22.657 -22.183 1.00 25.15 H new ATOM 0 HD3 LYS A 110 5.332 -22.936 -21.361 1.00 25.15 H new ATOM 0 HE2 LYS A 110 4.186 -23.410 -23.417 1.00 71.12 H new ATOM 0 HE3 LYS A 110 5.495 -22.766 -24.387 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 5.511 -25.174 -24.381 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 6.914 -24.583 -23.629 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 5.645 -25.207 -22.689 1.00 33.33 H new ATOM 1769 N PRO A 111 3.869 -19.322 -18.974 1.00 3.22 N ATOM 1770 CA PRO A 111 3.484 -19.167 -17.567 1.00 31.43 C ATOM 1771 C PRO A 111 4.507 -19.781 -16.617 1.00 53.03 C ATOM 1772 O PRO A 111 4.930 -19.145 -15.651 1.00 72.25 O ATOM 1773 CB PRO A 111 2.154 -19.918 -17.479 1.00 2.05 C ATOM 1774 CG PRO A 111 2.208 -20.917 -18.583 1.00 62.33 C ATOM 1775 CD PRO A 111 2.998 -20.271 -19.688 1.00 71.40 C ATOM 0 HA PRO A 111 3.417 -18.119 -17.275 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.038 -20.404 -16.511 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.308 -19.241 -17.599 1.00 2.05 H new ATOM 0 HG2 PRO A 111 2.684 -21.840 -18.251 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.206 -21.179 -18.922 1.00 62.33 H new ATOM 0 HD2 PRO A 111 3.577 -21.004 -20.250 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.350 -19.763 -20.402 1.00 71.40 H new ATOM 1783 N ALA A 112 4.901 -21.018 -16.897 1.00 62.44 N ATOM 1784 CA ALA A 112 5.876 -21.716 -16.068 1.00 52.52 C ATOM 1785 C ALA A 112 7.183 -20.935 -15.982 1.00 34.24 C ATOM 1786 O ALA A 112 7.793 -20.846 -14.918 1.00 74.33 O ATOM 1787 CB ALA A 112 6.129 -23.114 -16.614 1.00 45.03 C ATOM 0 H ALA A 112 4.560 -21.558 -17.692 1.00 62.44 H new ATOM 0 HA ALA A 112 5.466 -21.800 -15.061 1.00 52.52 H new ATOM 0 HB1 ALA A 112 6.859 -23.624 -15.985 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.196 -23.678 -16.617 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.513 -23.043 -17.632 1.00 45.03 H new ATOM 1793 N GLN A 113 7.606 -20.373 -17.110 1.00 34.25 N ATOM 1794 CA GLN A 113 8.841 -19.601 -17.161 1.00 42.12 C ATOM 1795 C GLN A 113 8.694 -18.286 -16.403 1.00 63.54 C ATOM 1796 O GLN A 113 9.536 -17.938 -15.575 1.00 30.03 O ATOM 1797 CB GLN A 113 9.236 -19.325 -18.613 1.00 62.35 C ATOM 1798 CG GLN A 113 9.277 -20.572 -19.481 1.00 53.13 C ATOM 1799 CD GLN A 113 10.281 -21.595 -18.985 1.00 30.34 C ATOM 1800 OE1 GLN A 113 11.486 -21.339 -18.964 1.00 1.43 O ATOM 1801 NE2 GLN A 113 9.789 -22.760 -18.581 1.00 31.33 N ATOM 0 H GLN A 113 7.112 -20.438 -18.000 1.00 34.25 H new ATOM 0 HA GLN A 113 9.626 -20.188 -16.684 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.530 -18.616 -19.044 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.216 -18.849 -18.630 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.286 -21.024 -19.508 1.00 53.13 H new ATOM 0 HG3 GLN A 113 9.526 -20.290 -20.504 1.00 53.13 H new ATOM 0 HE21 GLN A 113 8.784 -22.929 -18.616 1.00 31.33 H new ATOM 0 HE22 GLN A 113 10.416 -23.486 -18.236 1.00 31.33 H new ATOM 1810 N TYR A 114 7.620 -17.560 -16.691 1.00 74.31 N ATOM 1811 CA TYR A 114 7.363 -16.282 -16.039 1.00 32.54 C ATOM 1812 C TYR A 114 7.372 -16.434 -14.521 1.00 30.52 C ATOM 1813 O TYR A 114 7.906 -15.588 -13.804 1.00 21.43 O ATOM 1814 CB TYR A 114 6.020 -15.712 -16.497 1.00 52.21 C ATOM 1815 CG TYR A 114 5.975 -14.200 -16.504 1.00 71.23 C ATOM 1816 CD1 TYR A 114 6.942 -13.459 -17.171 1.00 2.14 C ATOM 1817 CD2 TYR A 114 4.964 -13.513 -15.842 1.00 72.04 C ATOM 1818 CE1 TYR A 114 6.904 -12.078 -17.178 1.00 70.32 C ATOM 1819 CE2 TYR A 114 4.918 -12.133 -15.846 1.00 0.14 C ATOM 1820 CZ TYR A 114 5.891 -11.420 -16.515 1.00 74.52 C ATOM 1821 OH TYR A 114 5.849 -10.044 -16.521 1.00 24.42 O ATOM 0 H TYR A 114 6.913 -17.835 -17.372 1.00 74.31 H new ATOM 0 HA TYR A 114 8.158 -15.592 -16.322 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.802 -16.078 -17.500 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.233 -16.088 -15.843 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.737 -13.971 -17.693 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.202 -14.068 -15.316 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.665 -11.517 -17.701 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.125 -11.615 -15.328 1.00 0.14 H new ATOM 0 HH TYR A 114 5.072 -9.738 -16.009 1.00 24.42 H new ATOM 1831 N GLU A 115 6.777 -17.520 -14.037 1.00 14.02 N ATOM 1832 CA GLU A 115 6.717 -17.784 -12.605 1.00 22.21 C ATOM 1833 C GLU A 115 8.094 -18.149 -12.060 1.00 15.44 C ATOM 1834 O GLU A 115 8.551 -17.581 -11.068 1.00 4.40 O ATOM 1835 CB GLU A 115 5.726 -18.914 -12.314 1.00 5.22 C ATOM 1836 CG GLU A 115 4.332 -18.657 -12.863 1.00 30.50 C ATOM 1837 CD GLU A 115 3.284 -18.555 -11.771 1.00 42.21 C ATOM 1838 OE1 GLU A 115 2.912 -19.604 -11.207 1.00 14.10 O ATOM 1839 OE2 GLU A 115 2.837 -17.426 -11.481 1.00 54.12 O ATOM 0 H GLU A 115 6.330 -18.231 -14.616 1.00 14.02 H new ATOM 0 HA GLU A 115 6.378 -16.875 -12.108 1.00 22.21 H new ATOM 0 HB2 GLU A 115 6.110 -19.841 -12.740 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.662 -19.061 -11.236 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.338 -17.734 -13.443 1.00 30.50 H new ATOM 0 HG3 GLU A 115 4.061 -19.461 -13.547 1.00 30.50 H new ATOM 1846 N ALA A 116 8.751 -19.100 -12.715 1.00 50.22 N ATOM 1847 CA ALA A 116 10.077 -19.539 -12.297 1.00 4.31 C ATOM 1848 C ALA A 116 11.070 -18.383 -12.319 1.00 51.44 C ATOM 1849 O ALA A 116 12.031 -18.364 -11.550 1.00 72.23 O ATOM 1850 CB ALA A 116 10.562 -20.672 -13.191 1.00 54.13 C ATOM 0 H ALA A 116 8.387 -19.581 -13.537 1.00 50.22 H new ATOM 0 HA ALA A 116 10.007 -19.903 -11.272 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.553 -20.991 -12.869 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.870 -21.512 -13.122 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.610 -20.326 -14.223 1.00 54.13 H new ATOM 1856 N TYR A 117 10.832 -17.422 -13.204 1.00 54.32 N ATOM 1857 CA TYR A 117 11.709 -16.263 -13.328 1.00 43.12 C ATOM 1858 C TYR A 117 11.393 -15.225 -12.255 1.00 23.32 C ATOM 1859 O TYR A 117 12.295 -14.630 -11.665 1.00 72.22 O ATOM 1860 CB TYR A 117 11.570 -15.637 -14.716 1.00 24.03 C ATOM 1861 CG TYR A 117 12.549 -14.515 -14.975 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.913 -14.702 -14.798 1.00 53.14 C ATOM 1863 CD2 TYR A 117 12.107 -13.267 -15.399 1.00 22.44 C ATOM 1864 CE1 TYR A 117 14.812 -13.678 -15.033 1.00 11.13 C ATOM 1865 CE2 TYR A 117 12.999 -12.237 -15.638 1.00 40.30 C ATOM 1866 CZ TYR A 117 14.349 -12.448 -15.453 1.00 14.53 C ATOM 1867 OH TYR A 117 15.240 -11.427 -15.690 1.00 31.20 O ATOM 0 H TYR A 117 10.040 -17.422 -13.846 1.00 54.32 H new ATOM 0 HA TYR A 117 12.736 -16.600 -13.191 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.710 -16.411 -15.470 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.555 -15.257 -14.834 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.279 -15.664 -14.471 1.00 53.14 H new ATOM 0 HD2 TYR A 117 11.050 -13.099 -15.544 1.00 22.44 H new ATOM 0 HE1 TYR A 117 15.870 -13.840 -14.889 1.00 11.13 H new ATOM 0 HE2 TYR A 117 12.640 -11.273 -15.968 1.00 40.30 H new ATOM 0 HH TYR A 117 14.752 -10.628 -15.980 1.00 31.20 H new ATOM 1877 N PHE A 118 10.105 -15.012 -12.009 1.00 14.14 N ATOM 1878 CA PHE A 118 9.668 -14.045 -11.008 1.00 2.10 C ATOM 1879 C PHE A 118 10.275 -14.361 -9.644 1.00 23.32 C ATOM 1880 O PHE A 118 10.621 -13.459 -8.882 1.00 14.34 O ATOM 1881 CB PHE A 118 8.141 -14.036 -10.910 1.00 24.24 C ATOM 1882 CG PHE A 118 7.570 -12.691 -10.562 1.00 65.14 C ATOM 1883 CD1 PHE A 118 7.839 -12.107 -9.334 1.00 41.02 C ATOM 1884 CD2 PHE A 118 6.765 -12.011 -11.461 1.00 55.11 C ATOM 1885 CE1 PHE A 118 7.315 -10.869 -9.011 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.239 -10.773 -11.144 1.00 41.31 C ATOM 1887 CZ PHE A 118 6.514 -10.201 -9.917 1.00 31.03 C ATOM 0 H PHE A 118 9.346 -15.495 -12.488 1.00 14.14 H new ATOM 0 HA PHE A 118 10.011 -13.058 -11.318 1.00 2.10 H new ATOM 0 HB2 PHE A 118 7.722 -14.365 -11.861 1.00 24.24 H new ATOM 0 HB3 PHE A 118 7.829 -14.760 -10.157 1.00 24.24 H new ATOM 0 HD1 PHE A 118 8.465 -12.625 -8.622 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.546 -12.454 -12.421 1.00 55.11 H new ATOM 0 HE1 PHE A 118 7.532 -10.424 -8.051 1.00 73.25 H new ATOM 0 HE2 PHE A 118 5.614 -10.253 -11.855 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.104 -9.234 -9.667 1.00 31.03 H new