USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN : amide:sc= -0.728 X(o=-0.73,f=-0.82) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 ASN : amide:sc= -1.99! C(o=-2!,f=-3.4!) USER MOD Set 3.1: A 32 LYS NZ :NH3+ -114:sc= 1.2 (180deg=-0.429) USER MOD Set 3.2: A 46 GLN : amide:sc= -0.0878 K(o=1.1,f=-12!) USER MOD Set 4.1: A 12 THR OG1 : rot 120:sc= 0.41 USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= 0.613 USER MOD Set 5.1: A 11 LYS NZ :NH3+ 158:sc= 0.251 (180deg=0) USER MOD Set 5.2: A 73 HIS : no HD1:sc= -3.67! K(o=-3.4!,f=-4.3) USER MOD Single : A 6 MET CE :methyl 155:sc= -1.98 (180deg=-3.89!) USER MOD Single : A 7 GLN : amide:sc= -2.86 K(o=-2.9,f=-6.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : A 19 THR OG1 : rot -77:sc= 0.359 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.288 (180deg=-0.734) USER MOD Single : A 45 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.77) USER MOD Single : A 54 GLN : amide:sc= -0.0483 K(o=-0.048,f=-0.7) USER MOD Single : A 58 SER OG : rot -40:sc= 0.373 USER MOD Single : A 61 MET CE :methyl -149:sc= -4.11! (180deg=-6.67!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.5!) USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= -0.234 (180deg=-0.8) USER MOD Single : A 71 THR OG1 : rot 46:sc= 0.0295 USER MOD ----------------------------------------------------------------- ATOM 59 N MET A 6 -8.620 6.665 -10.449 1.00 14.01 N ATOM 60 CA MET A 6 -9.326 7.940 -10.404 1.00 54.33 C ATOM 61 C MET A 6 -10.558 7.912 -11.304 1.00 31.44 C ATOM 62 O MET A 6 -10.470 7.561 -12.480 1.00 1.11 O ATOM 63 CB MET A 6 -8.396 9.078 -10.830 1.00 70.21 C ATOM 64 CG MET A 6 -7.818 8.900 -12.225 1.00 25.05 C ATOM 65 SD MET A 6 -6.019 8.776 -12.220 1.00 3.44 S ATOM 66 CE MET A 6 -5.791 7.175 -11.450 1.00 13.21 C ATOM 0 HA MET A 6 -9.651 8.110 -9.378 1.00 54.33 H new ATOM 0 HB2 MET A 6 -8.945 10.019 -10.790 1.00 70.21 H new ATOM 0 HB3 MET A 6 -7.578 9.155 -10.114 1.00 70.21 H new ATOM 0 HG2 MET A 6 -8.239 8.002 -12.677 1.00 25.05 H new ATOM 0 HG3 MET A 6 -8.119 9.742 -12.849 1.00 25.05 H new ATOM 0 HE1 MET A 6 -4.833 6.756 -11.759 1.00 13.21 H new ATOM 0 HE2 MET A 6 -5.805 7.287 -10.366 1.00 13.21 H new ATOM 0 HE3 MET A 6 -6.595 6.506 -11.756 1.00 13.21 H new ATOM 76 N GLN A 7 -11.704 8.282 -10.742 1.00 13.12 N ATOM 77 CA GLN A 7 -12.953 8.297 -11.494 1.00 13.20 C ATOM 78 C GLN A 7 -13.209 9.674 -12.097 1.00 42.42 C ATOM 79 O GLN A 7 -12.659 10.676 -11.637 1.00 71.33 O ATOM 80 CB GLN A 7 -14.122 7.898 -10.591 1.00 42.01 C ATOM 81 CG GLN A 7 -13.784 6.780 -9.618 1.00 12.34 C ATOM 82 CD GLN A 7 -13.385 7.298 -8.250 1.00 44.31 C ATOM 83 OE1 GLN A 7 -13.361 8.507 -8.014 1.00 33.44 O ATOM 84 NE2 GLN A 7 -13.067 6.385 -7.340 1.00 73.32 N ATOM 0 H GLN A 7 -11.793 8.575 -9.769 1.00 13.12 H new ATOM 0 HA GLN A 7 -12.867 7.575 -12.306 1.00 13.20 H new ATOM 0 HB2 GLN A 7 -14.450 8.772 -10.028 1.00 42.01 H new ATOM 0 HB3 GLN A 7 -14.961 7.586 -11.213 1.00 42.01 H new ATOM 0 HG2 GLN A 7 -14.645 6.120 -9.515 1.00 12.34 H new ATOM 0 HG3 GLN A 7 -12.970 6.181 -10.027 1.00 12.34 H new ATOM 0 HE21 GLN A 7 -13.101 5.394 -7.579 1.00 73.32 H new ATOM 0 HE22 GLN A 7 -12.789 6.675 -6.402 1.00 73.32 H new ATOM 93 N ILE A 8 -14.045 9.717 -13.129 1.00 12.12 N ATOM 94 CA ILE A 8 -14.374 10.972 -13.794 1.00 64.20 C ATOM 95 C ILE A 8 -15.883 11.149 -13.919 1.00 0.33 C ATOM 96 O ILE A 8 -16.637 10.176 -13.900 1.00 11.35 O ATOM 97 CB ILE A 8 -13.742 11.048 -15.196 1.00 65.34 C ATOM 98 CG1 ILE A 8 -12.943 9.776 -15.489 1.00 72.33 C ATOM 99 CG2 ILE A 8 -12.851 12.276 -15.310 1.00 55.24 C ATOM 100 CD1 ILE A 8 -12.441 9.692 -16.914 1.00 11.02 C ATOM 0 H ILE A 8 -14.507 8.897 -13.523 1.00 12.12 H new ATOM 0 HA ILE A 8 -13.967 11.773 -13.176 1.00 64.20 H new ATOM 0 HB ILE A 8 -14.540 11.132 -15.933 1.00 65.34 H new ATOM 0 HG12 ILE A 8 -12.092 9.726 -14.809 1.00 72.33 H new ATOM 0 HG13 ILE A 8 -13.568 8.908 -15.281 1.00 72.33 H new ATOM 0 HG21 ILE A 8 -12.412 12.315 -16.307 1.00 55.24 H new ATOM 0 HG22 ILE A 8 -13.445 13.174 -15.140 1.00 55.24 H new ATOM 0 HG23 ILE A 8 -12.057 12.220 -14.565 1.00 55.24 H new ATOM 0 HD11 ILE A 8 -11.884 8.765 -17.049 1.00 11.02 H new ATOM 0 HD12 ILE A 8 -13.288 9.710 -17.600 1.00 11.02 H new ATOM 0 HD13 ILE A 8 -11.789 10.541 -17.121 1.00 11.02 H new ATOM 112 N PHE A 9 -16.318 12.398 -14.048 1.00 44.42 N ATOM 113 CA PHE A 9 -17.738 12.704 -14.177 1.00 45.42 C ATOM 114 C PHE A 9 -18.066 13.177 -15.590 1.00 62.05 C ATOM 115 O PHE A 9 -17.464 14.125 -16.096 1.00 33.13 O ATOM 116 CB PHE A 9 -18.145 13.774 -13.162 1.00 42.30 C ATOM 117 CG PHE A 9 -19.027 13.253 -12.063 1.00 44.44 C ATOM 118 CD1 PHE A 9 -20.265 12.703 -12.353 1.00 24.21 C ATOM 119 CD2 PHE A 9 -18.618 13.315 -10.741 1.00 24.11 C ATOM 120 CE1 PHE A 9 -21.078 12.222 -11.344 1.00 54.33 C ATOM 121 CE2 PHE A 9 -19.427 12.836 -9.728 1.00 62.43 C ATOM 122 CZ PHE A 9 -20.659 12.290 -10.030 1.00 72.21 C ATOM 0 H PHE A 9 -15.707 13.215 -14.066 1.00 44.42 H new ATOM 0 HA PHE A 9 -18.300 11.792 -13.978 1.00 45.42 H new ATOM 0 HB2 PHE A 9 -17.246 14.206 -12.722 1.00 42.30 H new ATOM 0 HB3 PHE A 9 -18.664 14.579 -13.683 1.00 42.30 H new ATOM 0 HD1 PHE A 9 -20.599 12.649 -13.379 1.00 24.21 H new ATOM 0 HD2 PHE A 9 -17.656 13.742 -10.499 1.00 24.11 H new ATOM 0 HE1 PHE A 9 -22.040 11.793 -11.583 1.00 54.33 H new ATOM 0 HE2 PHE A 9 -19.096 12.889 -8.701 1.00 62.43 H new ATOM 0 HZ PHE A 9 -21.294 11.917 -9.240 1.00 72.21 H new ATOM 132 N VAL A 10 -19.024 12.509 -16.224 1.00 35.51 N ATOM 133 CA VAL A 10 -19.434 12.859 -17.578 1.00 51.35 C ATOM 134 C VAL A 10 -20.874 13.360 -17.605 1.00 20.30 C ATOM 135 O VAL A 10 -21.771 12.734 -17.041 1.00 33.54 O ATOM 136 CB VAL A 10 -19.302 11.658 -18.534 1.00 1.24 C ATOM 137 CG1 VAL A 10 -18.919 12.125 -19.929 1.00 43.55 C ATOM 138 CG2 VAL A 10 -18.285 10.662 -17.998 1.00 70.41 C ATOM 0 H VAL A 10 -19.531 11.721 -15.821 1.00 35.51 H new ATOM 0 HA VAL A 10 -18.769 13.655 -17.913 1.00 51.35 H new ATOM 0 HB VAL A 10 -20.268 11.158 -18.598 1.00 1.24 H new ATOM 0 HG11 VAL A 10 -18.830 11.263 -20.590 1.00 43.55 H new ATOM 0 HG12 VAL A 10 -19.687 12.798 -20.311 1.00 43.55 H new ATOM 0 HG13 VAL A 10 -17.965 12.650 -19.888 1.00 43.55 H new ATOM 0 HG21 VAL A 10 -18.204 9.820 -18.685 1.00 70.41 H new ATOM 0 HG22 VAL A 10 -17.314 11.148 -17.904 1.00 70.41 H new ATOM 0 HG23 VAL A 10 -18.607 10.303 -17.021 1.00 70.41 H new ATOM 148 N LYS A 11 -21.089 14.493 -18.265 1.00 23.30 N ATOM 149 CA LYS A 11 -22.420 15.078 -18.368 1.00 10.31 C ATOM 150 C LYS A 11 -22.966 14.943 -19.786 1.00 22.12 C ATOM 151 O LYS A 11 -22.436 15.536 -20.726 1.00 63.21 O ATOM 152 CB LYS A 11 -22.383 16.554 -17.963 1.00 34.41 C ATOM 153 CG LYS A 11 -23.659 17.308 -18.297 1.00 63.11 C ATOM 154 CD LYS A 11 -23.539 18.784 -17.958 1.00 3.15 C ATOM 155 CE LYS A 11 -23.013 19.586 -19.138 1.00 2.52 C ATOM 156 NZ LYS A 11 -23.113 21.053 -18.900 1.00 51.12 N ATOM 0 H LYS A 11 -20.358 15.025 -18.737 1.00 23.30 H new ATOM 0 HA LYS A 11 -23.081 14.537 -17.690 1.00 10.31 H new ATOM 0 HB2 LYS A 11 -22.200 16.624 -16.891 1.00 34.41 H new ATOM 0 HB3 LYS A 11 -21.543 17.038 -18.462 1.00 34.41 H new ATOM 0 HG2 LYS A 11 -23.883 17.194 -19.358 1.00 63.11 H new ATOM 0 HG3 LYS A 11 -24.494 16.874 -17.747 1.00 63.11 H new ATOM 0 HD2 LYS A 11 -24.514 19.170 -17.660 1.00 3.15 H new ATOM 0 HD3 LYS A 11 -22.872 18.909 -17.105 1.00 3.15 H new ATOM 0 HE2 LYS A 11 -21.973 19.318 -19.324 1.00 2.52 H new ATOM 0 HE3 LYS A 11 -23.575 19.324 -20.034 1.00 2.52 H new ATOM 0 HZ1 LYS A 11 -22.437 21.551 -19.514 1.00 51.12 H new ATOM 0 HZ2 LYS A 11 -24.078 21.375 -19.115 1.00 51.12 H new ATOM 0 HZ3 LYS A 11 -22.893 21.259 -17.905 1.00 51.12 H new ATOM 170 N THR A 12 -24.030 14.160 -19.933 1.00 60.33 N ATOM 171 CA THR A 12 -24.648 13.947 -21.236 1.00 63.11 C ATOM 172 C THR A 12 -25.436 15.175 -21.678 1.00 63.20 C ATOM 173 O THR A 12 -25.789 16.026 -20.861 1.00 23.14 O ATOM 174 CB THR A 12 -25.587 12.726 -21.220 1.00 13.53 C ATOM 175 OG1 THR A 12 -26.700 12.976 -20.353 1.00 44.22 O ATOM 176 CG2 THR A 12 -24.848 11.480 -20.757 1.00 44.25 C ATOM 0 H THR A 12 -24.482 13.663 -19.166 1.00 60.33 H new ATOM 0 HA THR A 12 -23.839 13.764 -21.943 1.00 63.11 H new ATOM 0 HB THR A 12 -25.947 12.559 -22.235 1.00 13.53 H new ATOM 0 HG1 THR A 12 -27.533 12.922 -20.866 1.00 44.22 H new ATOM 0 HG21 THR A 12 -25.532 10.631 -20.754 1.00 44.25 H new ATOM 0 HG22 THR A 12 -24.019 11.276 -21.435 1.00 44.25 H new ATOM 0 HG23 THR A 12 -24.463 11.639 -19.750 1.00 44.25 H new ATOM 184 N LEU A 13 -25.709 15.261 -22.975 1.00 74.21 N ATOM 185 CA LEU A 13 -26.457 16.386 -23.526 1.00 74.52 C ATOM 186 C LEU A 13 -27.837 16.490 -22.883 1.00 25.21 C ATOM 187 O LEU A 13 -28.479 17.539 -22.932 1.00 11.35 O ATOM 188 CB LEU A 13 -26.599 16.236 -25.042 1.00 31.51 C ATOM 189 CG LEU A 13 -27.097 17.470 -25.795 1.00 30.32 C ATOM 190 CD1 LEU A 13 -25.937 18.392 -26.134 1.00 44.31 C ATOM 191 CD2 LEU A 13 -27.842 17.060 -27.057 1.00 64.01 C ATOM 0 H LEU A 13 -25.424 14.566 -23.665 1.00 74.21 H new ATOM 0 HA LEU A 13 -25.904 17.300 -23.307 1.00 74.52 H new ATOM 0 HB2 LEU A 13 -25.629 15.952 -25.451 1.00 31.51 H new ATOM 0 HB3 LEU A 13 -27.283 15.412 -25.243 1.00 31.51 H new ATOM 0 HG LEU A 13 -27.788 18.012 -25.149 1.00 30.32 H new ATOM 0 HD11 LEU A 13 -26.310 19.265 -26.670 1.00 44.31 H new ATOM 0 HD12 LEU A 13 -25.447 18.713 -25.215 1.00 44.31 H new ATOM 0 HD13 LEU A 13 -25.221 17.861 -26.761 1.00 44.31 H new ATOM 0 HD21 LEU A 13 -28.189 17.951 -27.580 1.00 64.01 H new ATOM 0 HD22 LEU A 13 -27.174 16.495 -27.707 1.00 64.01 H new ATOM 0 HD23 LEU A 13 -28.698 16.440 -26.789 1.00 64.01 H new ATOM 203 N THR A 14 -28.286 15.395 -22.278 1.00 31.41 N ATOM 204 CA THR A 14 -29.588 15.363 -21.624 1.00 30.33 C ATOM 205 C THR A 14 -29.474 15.746 -20.153 1.00 22.13 C ATOM 206 O THR A 14 -30.434 15.623 -19.393 1.00 5.31 O ATOM 207 CB THR A 14 -30.236 13.970 -21.731 1.00 34.54 C ATOM 208 OG1 THR A 14 -29.473 13.015 -20.985 1.00 3.22 O ATOM 209 CG2 THR A 14 -30.331 13.527 -23.183 1.00 34.11 C ATOM 0 H THR A 14 -27.767 14.518 -22.227 1.00 31.41 H new ATOM 0 HA THR A 14 -30.218 16.089 -22.138 1.00 30.33 H new ATOM 0 HB THR A 14 -31.243 14.031 -21.319 1.00 34.54 H new ATOM 0 HG1 THR A 14 -29.893 12.132 -21.057 1.00 3.22 H new ATOM 0 HG21 THR A 14 -30.792 12.541 -23.233 1.00 34.11 H new ATOM 0 HG22 THR A 14 -30.938 14.240 -23.742 1.00 34.11 H new ATOM 0 HG23 THR A 14 -29.332 13.483 -23.616 1.00 34.11 H new ATOM 217 N GLY A 15 -28.293 16.212 -19.757 1.00 61.20 N ATOM 218 CA GLY A 15 -28.076 16.607 -18.378 1.00 25.44 C ATOM 219 C GLY A 15 -28.057 15.422 -17.432 1.00 2.34 C ATOM 220 O GLY A 15 -28.844 15.360 -16.487 1.00 24.03 O ATOM 0 H GLY A 15 -27.483 16.323 -20.367 1.00 61.20 H new ATOM 0 HA2 GLY A 15 -27.131 17.144 -18.302 1.00 25.44 H new ATOM 0 HA3 GLY A 15 -28.861 17.299 -18.073 1.00 25.44 H new ATOM 224 N LYS A 16 -27.157 14.478 -17.686 1.00 11.21 N ATOM 225 CA LYS A 16 -27.038 13.289 -16.851 1.00 34.13 C ATOM 226 C LYS A 16 -25.614 13.132 -16.327 1.00 15.24 C ATOM 227 O LYS A 16 -24.664 13.025 -17.102 1.00 50.04 O ATOM 228 CB LYS A 16 -27.442 12.043 -17.642 1.00 31.42 C ATOM 229 CG LYS A 16 -28.098 10.969 -16.791 1.00 73.35 C ATOM 230 CD LYS A 16 -27.069 10.023 -16.195 1.00 50.30 C ATOM 231 CE LYS A 16 -26.406 9.172 -17.267 1.00 52.44 C ATOM 232 NZ LYS A 16 -26.843 7.750 -17.196 1.00 2.53 N ATOM 0 H LYS A 16 -26.499 14.514 -18.464 1.00 11.21 H new ATOM 0 HA LYS A 16 -27.709 13.405 -16.000 1.00 34.13 H new ATOM 0 HB2 LYS A 16 -28.128 12.334 -18.437 1.00 31.42 H new ATOM 0 HB3 LYS A 16 -26.557 11.625 -18.122 1.00 31.42 H new ATOM 0 HG2 LYS A 16 -28.670 11.437 -15.990 1.00 73.35 H new ATOM 0 HG3 LYS A 16 -28.805 10.403 -17.398 1.00 73.35 H new ATOM 0 HD2 LYS A 16 -26.310 10.597 -15.664 1.00 50.30 H new ATOM 0 HD3 LYS A 16 -27.550 9.376 -15.461 1.00 50.30 H new ATOM 0 HE2 LYS A 16 -26.645 9.576 -18.251 1.00 52.44 H new ATOM 0 HE3 LYS A 16 -25.323 9.225 -17.155 1.00 52.44 H new ATOM 0 HZ1 LYS A 16 -26.369 7.203 -17.943 1.00 2.53 H new ATOM 0 HZ2 LYS A 16 -26.593 7.356 -16.267 1.00 2.53 H new ATOM 0 HZ3 LYS A 16 -27.873 7.696 -17.329 1.00 2.53 H new ATOM 246 N THR A 17 -25.473 13.118 -15.005 1.00 33.03 N ATOM 247 CA THR A 17 -24.166 12.974 -14.377 1.00 61.21 C ATOM 248 C THR A 17 -23.827 11.506 -14.143 1.00 13.11 C ATOM 249 O THR A 17 -24.531 10.806 -13.415 1.00 32.24 O ATOM 250 CB THR A 17 -24.102 13.725 -13.034 1.00 22.54 C ATOM 251 OG1 THR A 17 -25.414 13.833 -12.470 1.00 24.32 O ATOM 252 CG2 THR A 17 -23.507 15.113 -13.217 1.00 72.42 C ATOM 0 H THR A 17 -26.249 13.205 -14.348 1.00 33.03 H new ATOM 0 HA THR A 17 -23.437 13.407 -15.062 1.00 61.21 H new ATOM 0 HB THR A 17 -23.461 13.159 -12.357 1.00 22.54 H new ATOM 0 HG1 THR A 17 -25.364 14.310 -11.615 1.00 24.32 H new ATOM 0 HG21 THR A 17 -23.472 15.624 -12.255 1.00 72.42 H new ATOM 0 HG22 THR A 17 -22.497 15.026 -13.618 1.00 72.42 H new ATOM 0 HG23 THR A 17 -24.125 15.685 -13.909 1.00 72.42 H new ATOM 260 N ILE A 18 -22.746 11.047 -14.764 1.00 21.15 N ATOM 261 CA ILE A 18 -22.314 9.662 -14.620 1.00 42.23 C ATOM 262 C ILE A 18 -20.885 9.584 -14.094 1.00 2.02 C ATOM 263 O ILE A 18 -20.033 10.399 -14.452 1.00 34.24 O ATOM 264 CB ILE A 18 -22.398 8.905 -15.959 1.00 20.13 C ATOM 265 CG1 ILE A 18 -21.691 7.552 -15.850 1.00 0.43 C ATOM 266 CG2 ILE A 18 -21.790 9.738 -17.078 1.00 34.34 C ATOM 267 CD1 ILE A 18 -21.953 6.637 -17.025 1.00 41.12 C ATOM 0 H ILE A 18 -22.154 11.613 -15.371 1.00 21.15 H new ATOM 0 HA ILE A 18 -22.988 9.193 -13.903 1.00 42.23 H new ATOM 0 HB ILE A 18 -23.447 8.728 -16.194 1.00 20.13 H new ATOM 0 HG12 ILE A 18 -20.617 7.718 -15.762 1.00 0.43 H new ATOM 0 HG13 ILE A 18 -22.013 7.056 -14.935 1.00 0.43 H new ATOM 0 HG21 ILE A 18 -21.857 9.189 -18.018 1.00 34.34 H new ATOM 0 HG22 ILE A 18 -22.333 10.679 -17.168 1.00 34.34 H new ATOM 0 HG23 ILE A 18 -20.744 9.943 -16.852 1.00 34.34 H new ATOM 0 HD11 ILE A 18 -21.421 5.697 -16.880 1.00 41.12 H new ATOM 0 HD12 ILE A 18 -23.022 6.440 -17.102 1.00 41.12 H new ATOM 0 HD13 ILE A 18 -21.605 7.113 -17.942 1.00 41.12 H new ATOM 279 N THR A 19 -20.627 8.596 -13.242 1.00 42.32 N ATOM 280 CA THR A 19 -19.301 8.410 -12.666 1.00 41.24 C ATOM 281 C THR A 19 -18.670 7.109 -13.148 1.00 70.21 C ATOM 282 O THR A 19 -19.325 6.066 -13.182 1.00 44.42 O ATOM 283 CB THR A 19 -19.353 8.403 -11.127 1.00 2.40 C ATOM 284 OG1 THR A 19 -20.631 8.868 -10.678 1.00 22.32 O ATOM 285 CG2 THR A 19 -18.255 9.281 -10.545 1.00 13.14 C ATOM 0 H THR A 19 -21.319 7.912 -12.936 1.00 42.32 H new ATOM 0 HA THR A 19 -18.692 9.251 -12.997 1.00 41.24 H new ATOM 0 HB THR A 19 -19.198 7.380 -10.784 1.00 2.40 H new ATOM 0 HG1 THR A 19 -20.667 9.845 -10.750 1.00 22.32 H new ATOM 0 HG21 THR A 19 -18.311 9.261 -9.457 1.00 13.14 H new ATOM 0 HG22 THR A 19 -17.282 8.907 -10.865 1.00 13.14 H new ATOM 0 HG23 THR A 19 -18.384 10.305 -10.896 1.00 13.14 H new ATOM 293 N ILE A 20 -17.396 7.176 -13.519 1.00 2.13 N ATOM 294 CA ILE A 20 -16.677 6.002 -13.997 1.00 23.24 C ATOM 295 C ILE A 20 -15.231 6.008 -13.512 1.00 21.51 C ATOM 296 O ILE A 20 -14.540 7.022 -13.601 1.00 3.54 O ATOM 297 CB ILE A 20 -16.690 5.920 -15.534 1.00 55.55 C ATOM 298 CG1 ILE A 20 -16.581 7.320 -16.142 1.00 1.50 C ATOM 299 CG2 ILE A 20 -17.955 5.225 -16.017 1.00 1.32 C ATOM 300 CD1 ILE A 20 -15.747 7.368 -17.403 1.00 2.40 C ATOM 0 H ILE A 20 -16.840 8.031 -13.498 1.00 2.13 H new ATOM 0 HA ILE A 20 -17.191 5.131 -13.591 1.00 23.24 H new ATOM 0 HB ILE A 20 -15.830 5.335 -15.859 1.00 55.55 H new ATOM 0 HG12 ILE A 20 -17.582 7.690 -16.364 1.00 1.50 H new ATOM 0 HG13 ILE A 20 -16.148 7.995 -15.404 1.00 1.50 H new ATOM 0 HG21 ILE A 20 -17.949 5.175 -17.106 1.00 1.32 H new ATOM 0 HG22 ILE A 20 -17.995 4.216 -15.607 1.00 1.32 H new ATOM 0 HG23 ILE A 20 -18.828 5.786 -15.684 1.00 1.32 H new ATOM 0 HD11 ILE A 20 -15.713 8.391 -17.778 1.00 2.40 H new ATOM 0 HD12 ILE A 20 -14.735 7.029 -17.183 1.00 2.40 H new ATOM 0 HD13 ILE A 20 -16.191 6.719 -18.158 1.00 2.40 H new ATOM 312 N ASP A 21 -14.780 4.867 -13.001 1.00 44.41 N ATOM 313 CA ASP A 21 -13.414 4.739 -12.505 1.00 13.43 C ATOM 314 C ASP A 21 -12.438 4.504 -13.653 1.00 74.52 C ATOM 315 O ASP A 21 -12.660 3.640 -14.503 1.00 3.25 O ATOM 316 CB ASP A 21 -13.321 3.593 -11.496 1.00 40.32 C ATOM 317 CG ASP A 21 -13.941 2.312 -12.017 1.00 70.32 C ATOM 318 OD1 ASP A 21 -13.229 1.541 -12.695 1.00 34.41 O ATOM 319 OD2 ASP A 21 -15.138 2.079 -11.747 1.00 4.34 O ATOM 0 H ASP A 21 -15.340 4.018 -12.919 1.00 44.41 H new ATOM 0 HA ASP A 21 -13.145 5.672 -12.010 1.00 13.43 H new ATOM 0 HB2 ASP A 21 -12.274 3.413 -11.250 1.00 40.32 H new ATOM 0 HB3 ASP A 21 -13.820 3.885 -10.572 1.00 40.32 H new ATOM 324 N VAL A 22 -11.358 5.278 -13.674 1.00 30.34 N ATOM 325 CA VAL A 22 -10.348 5.153 -14.718 1.00 1.34 C ATOM 326 C VAL A 22 -8.946 5.350 -14.152 1.00 61.20 C ATOM 327 O VAL A 22 -8.779 5.830 -13.031 1.00 34.03 O ATOM 328 CB VAL A 22 -10.581 6.173 -15.848 1.00 60.13 C ATOM 329 CG1 VAL A 22 -12.045 6.580 -15.907 1.00 14.00 C ATOM 330 CG2 VAL A 22 -9.688 7.390 -15.660 1.00 61.12 C ATOM 0 H VAL A 22 -11.160 5.999 -12.980 1.00 30.34 H new ATOM 0 HA VAL A 22 -10.435 4.145 -15.124 1.00 1.34 H new ATOM 0 HB VAL A 22 -10.321 5.703 -16.797 1.00 60.13 H new ATOM 0 HG11 VAL A 22 -12.190 7.301 -16.711 1.00 14.00 H new ATOM 0 HG12 VAL A 22 -12.660 5.700 -16.093 1.00 14.00 H new ATOM 0 HG13 VAL A 22 -12.336 7.031 -14.958 1.00 14.00 H new ATOM 0 HG21 VAL A 22 -9.866 8.100 -16.468 1.00 61.12 H new ATOM 0 HG22 VAL A 22 -9.914 7.863 -14.704 1.00 61.12 H new ATOM 0 HG23 VAL A 22 -8.643 7.080 -15.673 1.00 61.12 H new ATOM 340 N ASP A 23 -7.940 4.976 -14.935 1.00 73.14 N ATOM 341 CA ASP A 23 -6.551 5.112 -14.514 1.00 0.33 C ATOM 342 C ASP A 23 -5.788 6.044 -15.450 1.00 62.12 C ATOM 343 O ASP A 23 -6.102 6.143 -16.637 1.00 35.34 O ATOM 344 CB ASP A 23 -5.872 3.743 -14.472 1.00 24.44 C ATOM 345 CG ASP A 23 -6.694 2.711 -13.725 1.00 11.25 C ATOM 346 OD1 ASP A 23 -6.853 2.857 -12.494 1.00 71.52 O ATOM 347 OD2 ASP A 23 -7.179 1.759 -14.370 1.00 54.12 O ATOM 0 H ASP A 23 -8.061 4.576 -15.865 1.00 73.14 H new ATOM 0 HA ASP A 23 -6.541 5.544 -13.513 1.00 0.33 H new ATOM 0 HB2 ASP A 23 -5.697 3.396 -15.490 1.00 24.44 H new ATOM 0 HB3 ASP A 23 -4.896 3.839 -13.996 1.00 24.44 H new ATOM 352 N HIS A 24 -4.784 6.726 -14.909 1.00 3.42 N ATOM 353 CA HIS A 24 -3.976 7.651 -15.696 1.00 64.10 C ATOM 354 C HIS A 24 -3.315 6.932 -16.869 1.00 13.22 C ATOM 355 O HIS A 24 -2.850 7.566 -17.815 1.00 40.32 O ATOM 356 CB HIS A 24 -2.909 8.304 -14.817 1.00 43.52 C ATOM 357 CG HIS A 24 -1.830 7.361 -14.383 1.00 63.23 C ATOM 358 ND1 HIS A 24 -0.599 7.289 -15.002 1.00 33.23 N ATOM 359 CD2 HIS A 24 -1.801 6.448 -13.384 1.00 70.35 C ATOM 360 CE1 HIS A 24 0.139 6.371 -14.403 1.00 52.22 C ATOM 361 NE2 HIS A 24 -0.567 5.846 -13.418 1.00 51.10 N ATOM 0 H HIS A 24 -4.510 6.656 -13.929 1.00 3.42 H new ATOM 0 HA HIS A 24 -4.634 8.425 -16.091 1.00 64.10 H new ATOM 0 HB2 HIS A 24 -2.458 9.133 -15.363 1.00 43.52 H new ATOM 0 HB3 HIS A 24 -3.387 8.727 -13.934 1.00 43.52 H new ATOM 0 HD2 HIS A 24 -2.600 6.233 -12.689 1.00 70.35 H new ATOM 0 HE1 HIS A 24 1.148 6.097 -14.673 1.00 52.22 H new ATOM 0 HE2 HIS A 24 -0.248 5.113 -12.785 1.00 51.10 H new ATOM 369 N ALA A 25 -3.278 5.606 -16.798 1.00 63.43 N ATOM 370 CA ALA A 25 -2.676 4.801 -17.854 1.00 43.32 C ATOM 371 C ALA A 25 -3.689 4.485 -18.949 1.00 33.54 C ATOM 372 O ALA A 25 -3.408 3.709 -19.863 1.00 12.23 O ATOM 373 CB ALA A 25 -2.101 3.516 -17.276 1.00 51.34 C ATOM 0 H ALA A 25 -3.658 5.066 -16.020 1.00 63.43 H new ATOM 0 HA ALA A 25 -1.867 5.379 -18.301 1.00 43.32 H new ATOM 0 HB1 ALA A 25 -1.655 2.925 -18.076 1.00 51.34 H new ATOM 0 HB2 ALA A 25 -1.339 3.759 -16.536 1.00 51.34 H new ATOM 0 HB3 ALA A 25 -2.897 2.942 -16.802 1.00 51.34 H new ATOM 379 N ASP A 26 -4.868 5.088 -18.849 1.00 53.31 N ATOM 380 CA ASP A 26 -5.924 4.871 -19.831 1.00 71.32 C ATOM 381 C ASP A 26 -5.969 6.012 -20.843 1.00 31.24 C ATOM 382 O ASP A 26 -5.057 6.837 -20.905 1.00 53.43 O ATOM 383 CB ASP A 26 -7.279 4.737 -19.134 1.00 21.10 C ATOM 384 CG ASP A 26 -7.276 3.662 -18.065 1.00 73.54 C ATOM 385 OD1 ASP A 26 -6.290 2.899 -17.994 1.00 73.22 O ATOM 386 OD2 ASP A 26 -8.261 3.582 -17.301 1.00 2.02 O ATOM 0 H ASP A 26 -5.117 5.731 -18.098 1.00 53.31 H new ATOM 0 HA ASP A 26 -5.705 3.946 -20.364 1.00 71.32 H new ATOM 0 HB2 ASP A 26 -7.549 5.692 -18.684 1.00 21.10 H new ATOM 0 HB3 ASP A 26 -8.044 4.506 -19.875 1.00 21.10 H new ATOM 391 N THR A 27 -7.036 6.052 -21.635 1.00 11.22 N ATOM 392 CA THR A 27 -7.199 7.090 -22.645 1.00 12.11 C ATOM 393 C THR A 27 -8.670 7.443 -22.839 1.00 24.55 C ATOM 394 O THR A 27 -9.556 6.730 -22.368 1.00 14.34 O ATOM 395 CB THR A 27 -6.605 6.656 -23.998 1.00 24.42 C ATOM 396 OG1 THR A 27 -6.649 5.229 -24.117 1.00 51.41 O ATOM 397 CG2 THR A 27 -5.168 7.137 -24.137 1.00 72.22 C ATOM 0 H THR A 27 -7.800 5.377 -21.596 1.00 11.22 H new ATOM 0 HA THR A 27 -6.662 7.967 -22.285 1.00 12.11 H new ATOM 0 HB THR A 27 -7.201 7.105 -24.793 1.00 24.42 H new ATOM 0 HG1 THR A 27 -6.271 4.961 -24.981 1.00 51.41 H new ATOM 0 HG21 THR A 27 -4.769 6.819 -25.100 1.00 72.22 H new ATOM 0 HG22 THR A 27 -5.141 8.225 -24.075 1.00 72.22 H new ATOM 0 HG23 THR A 27 -4.563 6.712 -23.336 1.00 72.22 H new ATOM 405 N VAL A 28 -8.922 8.546 -23.535 1.00 70.04 N ATOM 406 CA VAL A 28 -10.286 8.992 -23.793 1.00 40.12 C ATOM 407 C VAL A 28 -11.089 7.916 -24.516 1.00 43.30 C ATOM 408 O VAL A 28 -12.207 7.590 -24.120 1.00 51.44 O ATOM 409 CB VAL A 28 -10.305 10.283 -24.633 1.00 70.14 C ATOM 410 CG1 VAL A 28 -11.697 10.895 -24.640 1.00 13.41 C ATOM 411 CG2 VAL A 28 -9.279 11.276 -24.107 1.00 73.55 C ATOM 0 H VAL A 28 -8.200 9.148 -23.931 1.00 70.04 H new ATOM 0 HA VAL A 28 -10.742 9.192 -22.823 1.00 40.12 H new ATOM 0 HB VAL A 28 -10.040 10.032 -25.660 1.00 70.14 H new ATOM 0 HG11 VAL A 28 -11.691 11.806 -25.238 1.00 13.41 H new ATOM 0 HG12 VAL A 28 -12.405 10.185 -25.068 1.00 13.41 H new ATOM 0 HG13 VAL A 28 -11.995 11.133 -23.619 1.00 13.41 H new ATOM 0 HG21 VAL A 28 -9.306 12.182 -24.712 1.00 73.55 H new ATOM 0 HG22 VAL A 28 -9.511 11.524 -23.071 1.00 73.55 H new ATOM 0 HG23 VAL A 28 -8.284 10.834 -24.160 1.00 73.55 H new ATOM 421 N GLY A 29 -10.509 7.367 -25.579 1.00 51.02 N ATOM 422 CA GLY A 29 -11.185 6.333 -26.341 1.00 24.21 C ATOM 423 C GLY A 29 -11.727 5.225 -25.460 1.00 62.32 C ATOM 424 O GLY A 29 -12.894 4.850 -25.570 1.00 1.41 O ATOM 0 H GLY A 29 -9.584 7.620 -25.926 1.00 51.02 H new ATOM 0 HA2 GLY A 29 -12.005 6.779 -26.905 1.00 24.21 H new ATOM 0 HA3 GLY A 29 -10.492 5.909 -27.067 1.00 24.21 H new ATOM 428 N ALA A 30 -10.877 4.697 -24.585 1.00 0.30 N ATOM 429 CA ALA A 30 -11.278 3.626 -23.682 1.00 24.42 C ATOM 430 C ALA A 30 -12.417 4.072 -22.772 1.00 23.15 C ATOM 431 O ALA A 30 -13.353 3.315 -22.515 1.00 23.32 O ATOM 432 CB ALA A 30 -10.089 3.161 -22.854 1.00 4.23 C ATOM 0 H ALA A 30 -9.907 4.994 -24.483 1.00 0.30 H new ATOM 0 HA ALA A 30 -11.636 2.791 -24.285 1.00 24.42 H new ATOM 0 HB1 ALA A 30 -10.403 2.361 -22.184 1.00 4.23 H new ATOM 0 HB2 ALA A 30 -9.306 2.793 -23.517 1.00 4.23 H new ATOM 0 HB3 ALA A 30 -9.705 3.996 -22.267 1.00 4.23 H new ATOM 438 N VAL A 31 -12.331 5.306 -22.285 1.00 44.02 N ATOM 439 CA VAL A 31 -13.355 5.853 -21.403 1.00 44.43 C ATOM 440 C VAL A 31 -14.700 5.947 -22.115 1.00 22.33 C ATOM 441 O VAL A 31 -15.739 5.605 -21.549 1.00 41.34 O ATOM 442 CB VAL A 31 -12.962 7.250 -20.886 1.00 42.01 C ATOM 443 CG1 VAL A 31 -14.098 7.860 -20.079 1.00 61.22 C ATOM 444 CG2 VAL A 31 -11.689 7.172 -20.056 1.00 34.20 C ATOM 0 H VAL A 31 -11.563 5.946 -22.487 1.00 44.02 H new ATOM 0 HA VAL A 31 -13.442 5.171 -20.557 1.00 44.43 H new ATOM 0 HB VAL A 31 -12.771 7.895 -21.743 1.00 42.01 H new ATOM 0 HG11 VAL A 31 -13.802 8.846 -19.722 1.00 61.22 H new ATOM 0 HG12 VAL A 31 -14.983 7.952 -20.709 1.00 61.22 H new ATOM 0 HG13 VAL A 31 -14.324 7.219 -19.227 1.00 61.22 H new ATOM 0 HG21 VAL A 31 -11.426 8.168 -19.699 1.00 34.20 H new ATOM 0 HG22 VAL A 31 -11.850 6.512 -19.204 1.00 34.20 H new ATOM 0 HG23 VAL A 31 -10.878 6.781 -20.670 1.00 34.20 H new ATOM 454 N LYS A 32 -14.674 6.411 -23.359 1.00 44.33 N ATOM 455 CA LYS A 32 -15.890 6.549 -24.151 1.00 33.41 C ATOM 456 C LYS A 32 -16.633 5.220 -24.242 1.00 33.52 C ATOM 457 O LYS A 32 -17.858 5.174 -24.136 1.00 55.22 O ATOM 458 CB LYS A 32 -15.555 7.055 -25.556 1.00 21.43 C ATOM 459 CG LYS A 32 -16.128 8.428 -25.860 1.00 62.04 C ATOM 460 CD LYS A 32 -15.045 9.494 -25.869 1.00 13.30 C ATOM 461 CE LYS A 32 -14.666 9.892 -27.287 1.00 61.02 C ATOM 462 NZ LYS A 32 -15.772 10.613 -27.976 1.00 10.13 N ATOM 0 H LYS A 32 -13.823 6.698 -23.841 1.00 44.33 H new ATOM 0 HA LYS A 32 -16.536 7.274 -23.655 1.00 33.41 H new ATOM 0 HB2 LYS A 32 -14.472 7.089 -25.672 1.00 21.43 H new ATOM 0 HB3 LYS A 32 -15.932 6.342 -26.289 1.00 21.43 H new ATOM 0 HG2 LYS A 32 -16.629 8.408 -26.828 1.00 62.04 H new ATOM 0 HG3 LYS A 32 -16.883 8.681 -25.116 1.00 62.04 H new ATOM 0 HD2 LYS A 32 -15.393 10.372 -25.324 1.00 13.30 H new ATOM 0 HD3 LYS A 32 -14.163 9.123 -25.346 1.00 13.30 H new ATOM 0 HE2 LYS A 32 -13.780 10.526 -27.261 1.00 61.02 H new ATOM 0 HE3 LYS A 32 -14.404 9.000 -27.856 1.00 61.02 H new ATOM 0 HZ1 LYS A 32 -16.123 10.036 -28.767 1.00 10.13 H new ATOM 0 HZ2 LYS A 32 -16.546 10.785 -27.303 1.00 10.13 H new ATOM 0 HZ3 LYS A 32 -15.421 11.522 -28.339 1.00 10.13 H new ATOM 476 N ALA A 33 -15.883 4.140 -24.437 1.00 34.21 N ATOM 477 CA ALA A 33 -16.471 2.810 -24.538 1.00 60.31 C ATOM 478 C ALA A 33 -17.144 2.406 -23.231 1.00 31.03 C ATOM 479 O ALA A 33 -18.225 1.817 -23.233 1.00 31.32 O ATOM 480 CB ALA A 33 -15.408 1.791 -24.923 1.00 54.24 C ATOM 0 H ALA A 33 -14.867 4.160 -24.528 1.00 34.21 H new ATOM 0 HA ALA A 33 -17.234 2.836 -25.316 1.00 60.31 H new ATOM 0 HB1 ALA A 33 -15.861 0.802 -24.995 1.00 54.24 H new ATOM 0 HB2 ALA A 33 -14.975 2.063 -25.886 1.00 54.24 H new ATOM 0 HB3 ALA A 33 -14.625 1.777 -24.164 1.00 54.24 H new ATOM 486 N LYS A 34 -16.498 2.726 -22.115 1.00 30.14 N ATOM 487 CA LYS A 34 -17.034 2.397 -20.799 1.00 3.41 C ATOM 488 C LYS A 34 -18.391 3.059 -20.583 1.00 51.04 C ATOM 489 O LYS A 34 -19.331 2.426 -20.102 1.00 30.30 O ATOM 490 CB LYS A 34 -16.060 2.839 -19.704 1.00 63.02 C ATOM 491 CG LYS A 34 -16.516 2.476 -18.302 1.00 24.43 C ATOM 492 CD LYS A 34 -16.539 0.970 -18.095 1.00 44.42 C ATOM 493 CE LYS A 34 -15.138 0.379 -18.150 1.00 34.12 C ATOM 494 NZ LYS A 34 -14.960 -0.517 -19.326 1.00 13.00 N ATOM 0 H LYS A 34 -15.602 3.213 -22.095 1.00 30.14 H new ATOM 0 HA LYS A 34 -17.164 1.316 -20.747 1.00 3.41 H new ATOM 0 HB2 LYS A 34 -15.087 2.384 -19.890 1.00 63.02 H new ATOM 0 HB3 LYS A 34 -15.924 3.919 -19.765 1.00 63.02 H new ATOM 0 HG2 LYS A 34 -15.849 2.934 -17.572 1.00 24.43 H new ATOM 0 HG3 LYS A 34 -17.511 2.884 -18.125 1.00 24.43 H new ATOM 0 HD2 LYS A 34 -16.994 0.741 -17.132 1.00 44.42 H new ATOM 0 HD3 LYS A 34 -17.161 0.506 -18.860 1.00 44.42 H new ATOM 0 HE2 LYS A 34 -14.405 1.185 -18.193 1.00 34.12 H new ATOM 0 HE3 LYS A 34 -14.943 -0.180 -17.235 1.00 34.12 H new ATOM 0 HZ1 LYS A 34 -13.993 -0.900 -19.328 1.00 13.00 H new ATOM 0 HZ2 LYS A 34 -15.642 -1.300 -19.272 1.00 13.00 H new ATOM 0 HZ3 LYS A 34 -15.121 0.022 -20.201 1.00 13.00 H new ATOM 508 N ILE A 35 -18.486 4.334 -20.944 1.00 14.42 N ATOM 509 CA ILE A 35 -19.730 5.080 -20.792 1.00 22.32 C ATOM 510 C ILE A 35 -20.818 4.525 -21.704 1.00 74.31 C ATOM 511 O ILE A 35 -21.992 4.486 -21.335 1.00 33.23 O ATOM 512 CB ILE A 35 -19.531 6.575 -21.100 1.00 42.50 C ATOM 513 CG1 ILE A 35 -18.403 7.150 -20.241 1.00 22.04 C ATOM 514 CG2 ILE A 35 -20.825 7.341 -20.866 1.00 45.14 C ATOM 515 CD1 ILE A 35 -18.603 6.933 -18.757 1.00 11.10 C ATOM 0 H ILE A 35 -17.717 4.872 -21.344 1.00 14.42 H new ATOM 0 HA ILE A 35 -20.039 4.970 -19.753 1.00 22.32 H new ATOM 0 HB ILE A 35 -19.253 6.680 -22.149 1.00 42.50 H new ATOM 0 HG12 ILE A 35 -17.460 6.695 -20.543 1.00 22.04 H new ATOM 0 HG13 ILE A 35 -18.318 8.219 -20.435 1.00 22.04 H new ATOM 0 HG21 ILE A 35 -20.668 8.397 -21.088 1.00 45.14 H new ATOM 0 HG22 ILE A 35 -21.605 6.945 -21.517 1.00 45.14 H new ATOM 0 HG23 ILE A 35 -21.130 7.231 -19.825 1.00 45.14 H new ATOM 0 HD11 ILE A 35 -17.766 7.366 -18.210 1.00 11.10 H new ATOM 0 HD12 ILE A 35 -19.530 7.412 -18.441 1.00 11.10 H new ATOM 0 HD13 ILE A 35 -18.658 5.864 -18.550 1.00 11.10 H new ATOM 527 N TYR A 36 -20.421 4.095 -22.896 1.00 62.53 N ATOM 528 CA TYR A 36 -21.363 3.542 -23.862 1.00 64.44 C ATOM 529 C TYR A 36 -22.125 2.362 -23.266 1.00 53.42 C ATOM 530 O TYR A 36 -23.344 2.263 -23.406 1.00 34.33 O ATOM 531 CB TYR A 36 -20.626 3.100 -25.128 1.00 74.42 C ATOM 532 CG TYR A 36 -21.029 1.725 -25.614 1.00 43.51 C ATOM 533 CD1 TYR A 36 -22.270 1.510 -26.200 1.00 62.31 C ATOM 534 CD2 TYR A 36 -20.167 0.643 -25.488 1.00 22.21 C ATOM 535 CE1 TYR A 36 -22.642 0.256 -26.645 1.00 25.24 C ATOM 536 CE2 TYR A 36 -20.530 -0.614 -25.931 1.00 24.41 C ATOM 537 CZ TYR A 36 -21.768 -0.803 -26.508 1.00 51.00 C ATOM 538 OH TYR A 36 -22.134 -2.053 -26.951 1.00 31.41 O ATOM 0 H TYR A 36 -19.453 4.119 -23.217 1.00 62.53 H new ATOM 0 HA TYR A 36 -22.080 4.321 -24.120 1.00 64.44 H new ATOM 0 HB2 TYR A 36 -20.813 3.825 -25.920 1.00 74.42 H new ATOM 0 HB3 TYR A 36 -19.553 3.108 -24.936 1.00 74.42 H new ATOM 0 HD1 TYR A 36 -22.956 2.337 -26.310 1.00 62.31 H new ATOM 0 HD2 TYR A 36 -19.197 0.787 -25.036 1.00 22.21 H new ATOM 0 HE1 TYR A 36 -23.611 0.106 -27.097 1.00 25.24 H new ATOM 0 HE2 TYR A 36 -19.848 -1.445 -25.826 1.00 24.41 H new ATOM 0 HH TYR A 36 -21.406 -2.686 -26.781 1.00 31.41 H new ATOM 548 N ASP A 37 -21.398 1.472 -22.601 1.00 31.31 N ATOM 549 CA ASP A 37 -22.005 0.299 -21.981 1.00 4.30 C ATOM 550 C ASP A 37 -22.749 0.683 -20.706 1.00 30.32 C ATOM 551 O ASP A 37 -23.743 0.054 -20.341 1.00 62.00 O ATOM 552 CB ASP A 37 -20.935 -0.748 -21.667 1.00 35.43 C ATOM 553 CG ASP A 37 -20.950 -1.903 -22.649 1.00 34.32 C ATOM 554 OD1 ASP A 37 -21.986 -2.596 -22.735 1.00 31.12 O ATOM 555 OD2 ASP A 37 -19.927 -2.114 -23.332 1.00 3.20 O ATOM 0 H ASP A 37 -20.388 1.540 -22.477 1.00 31.31 H new ATOM 0 HA ASP A 37 -22.722 -0.125 -22.684 1.00 4.30 H new ATOM 0 HB2 ASP A 37 -19.953 -0.275 -21.681 1.00 35.43 H new ATOM 0 HB3 ASP A 37 -21.090 -1.130 -20.658 1.00 35.43 H new ATOM 560 N LYS A 38 -22.261 1.718 -20.031 1.00 33.03 N ATOM 561 CA LYS A 38 -22.879 2.187 -18.796 1.00 33.50 C ATOM 562 C LYS A 38 -24.362 2.478 -19.006 1.00 62.10 C ATOM 563 O LYS A 38 -25.202 2.073 -18.204 1.00 13.24 O ATOM 564 CB LYS A 38 -22.168 3.444 -18.291 1.00 32.13 C ATOM 565 CG LYS A 38 -21.459 3.249 -16.962 1.00 11.13 C ATOM 566 CD LYS A 38 -20.009 2.838 -17.158 1.00 55.11 C ATOM 567 CE LYS A 38 -19.878 1.336 -17.359 1.00 12.13 C ATOM 568 NZ LYS A 38 -19.340 0.660 -16.146 1.00 62.42 N ATOM 0 H LYS A 38 -21.439 2.249 -20.318 1.00 33.03 H new ATOM 0 HA LYS A 38 -22.784 1.399 -18.049 1.00 33.50 H new ATOM 0 HB2 LYS A 38 -21.441 3.765 -19.037 1.00 32.13 H new ATOM 0 HB3 LYS A 38 -22.897 4.248 -18.190 1.00 32.13 H new ATOM 0 HG2 LYS A 38 -21.501 4.174 -16.387 1.00 11.13 H new ATOM 0 HG3 LYS A 38 -21.978 2.488 -16.380 1.00 11.13 H new ATOM 0 HD2 LYS A 38 -19.595 3.359 -18.021 1.00 55.11 H new ATOM 0 HD3 LYS A 38 -19.423 3.143 -16.291 1.00 55.11 H new ATOM 0 HE2 LYS A 38 -20.853 0.916 -17.607 1.00 12.13 H new ATOM 0 HE3 LYS A 38 -19.221 1.139 -18.206 1.00 12.13 H new ATOM 0 HZ1 LYS A 38 -18.981 -0.281 -16.404 1.00 62.42 H new ATOM 0 HZ2 LYS A 38 -18.566 1.228 -15.746 1.00 62.42 H new ATOM 0 HZ3 LYS A 38 -20.097 0.560 -15.440 1.00 62.42 H new ATOM 582 N GLU A 39 -24.674 3.181 -20.090 1.00 74.33 N ATOM 583 CA GLU A 39 -26.056 3.525 -20.405 1.00 31.43 C ATOM 584 C GLU A 39 -26.508 2.838 -21.690 1.00 55.55 C ATOM 585 O GLU A 39 -27.529 2.151 -21.714 1.00 44.25 O ATOM 586 CB GLU A 39 -26.209 5.041 -20.542 1.00 31.12 C ATOM 587 CG GLU A 39 -25.077 5.700 -21.312 1.00 22.34 C ATOM 588 CD GLU A 39 -25.113 7.213 -21.222 1.00 34.02 C ATOM 589 OE1 GLU A 39 -26.157 7.804 -21.570 1.00 60.52 O ATOM 590 OE2 GLU A 39 -24.098 7.807 -20.803 1.00 24.54 O ATOM 0 H GLU A 39 -23.989 3.523 -20.764 1.00 74.33 H new ATOM 0 HA GLU A 39 -26.686 3.177 -19.587 1.00 31.43 H new ATOM 0 HB2 GLU A 39 -27.153 5.259 -21.042 1.00 31.12 H new ATOM 0 HB3 GLU A 39 -26.266 5.483 -19.547 1.00 31.12 H new ATOM 0 HG2 GLU A 39 -24.123 5.340 -20.927 1.00 22.34 H new ATOM 0 HG3 GLU A 39 -25.132 5.401 -22.359 1.00 22.34 H new ATOM 597 N GLY A 40 -25.741 3.031 -22.759 1.00 41.31 N ATOM 598 CA GLY A 40 -26.079 2.426 -24.034 1.00 23.20 C ATOM 599 C GLY A 40 -26.150 3.441 -25.157 1.00 54.31 C ATOM 600 O GLY A 40 -27.115 3.463 -25.922 1.00 62.35 O ATOM 0 H GLY A 40 -24.892 3.596 -22.765 1.00 41.31 H new ATOM 0 HA2 GLY A 40 -25.336 1.667 -24.281 1.00 23.20 H new ATOM 0 HA3 GLY A 40 -27.039 1.917 -23.948 1.00 23.20 H new ATOM 604 N ILE A 41 -25.129 4.285 -25.256 1.00 11.45 N ATOM 605 CA ILE A 41 -25.081 5.308 -26.293 1.00 13.21 C ATOM 606 C ILE A 41 -23.880 5.105 -27.210 1.00 73.14 C ATOM 607 O ILE A 41 -22.854 4.549 -26.817 1.00 54.03 O ATOM 608 CB ILE A 41 -25.016 6.722 -25.687 1.00 13.54 C ATOM 609 CG1 ILE A 41 -23.749 6.882 -24.844 1.00 35.25 C ATOM 610 CG2 ILE A 41 -26.255 6.996 -24.848 1.00 15.54 C ATOM 611 CD1 ILE A 41 -22.569 7.419 -25.622 1.00 51.21 C ATOM 0 H ILE A 41 -24.323 4.281 -24.630 1.00 11.45 H new ATOM 0 HA ILE A 41 -25.999 5.212 -26.873 1.00 13.21 H new ATOM 0 HB ILE A 41 -24.983 7.448 -26.499 1.00 13.54 H new ATOM 0 HG12 ILE A 41 -23.959 7.552 -24.010 1.00 35.25 H new ATOM 0 HG13 ILE A 41 -23.482 5.915 -24.417 1.00 35.25 H new ATOM 0 HG21 ILE A 41 -26.194 7.999 -24.426 1.00 15.54 H new ATOM 0 HG22 ILE A 41 -27.143 6.919 -25.475 1.00 15.54 H new ATOM 0 HG23 ILE A 41 -26.316 6.266 -24.041 1.00 15.54 H new ATOM 0 HD11 ILE A 41 -21.707 7.506 -24.961 1.00 51.21 H new ATOM 0 HD12 ILE A 41 -22.332 6.738 -26.440 1.00 51.21 H new ATOM 0 HD13 ILE A 41 -22.816 8.400 -26.027 1.00 51.21 H new ATOM 623 N PRO A 42 -24.008 5.567 -28.463 1.00 42.01 N ATOM 624 CA PRO A 42 -22.942 5.450 -29.462 1.00 63.34 C ATOM 625 C PRO A 42 -21.751 6.348 -29.148 1.00 4.23 C ATOM 626 O PRO A 42 -21.857 7.575 -29.123 1.00 21.54 O ATOM 627 CB PRO A 42 -23.621 5.897 -30.759 1.00 63.45 C ATOM 628 CG PRO A 42 -24.730 6.788 -30.319 1.00 31.23 C ATOM 629 CD PRO A 42 -25.202 6.240 -29.000 1.00 52.22 C ATOM 0 HA PRO A 42 -22.533 4.441 -29.504 1.00 63.34 H new ATOM 0 HB2 PRO A 42 -22.923 6.425 -31.409 1.00 63.45 H new ATOM 0 HB3 PRO A 42 -23.999 5.044 -31.322 1.00 63.45 H new ATOM 0 HG2 PRO A 42 -24.386 7.817 -30.214 1.00 31.23 H new ATOM 0 HG3 PRO A 42 -25.538 6.796 -31.050 1.00 31.23 H new ATOM 0 HD2 PRO A 42 -25.549 7.032 -28.337 1.00 52.22 H new ATOM 0 HD3 PRO A 42 -26.032 5.545 -29.128 1.00 52.22 H new ATOM 637 N PRO A 43 -20.588 5.726 -28.902 1.00 1.41 N ATOM 638 CA PRO A 43 -19.354 6.452 -28.585 1.00 62.53 C ATOM 639 C PRO A 43 -18.805 7.214 -29.787 1.00 21.35 C ATOM 640 O PRO A 43 -18.131 8.233 -29.632 1.00 73.42 O ATOM 641 CB PRO A 43 -18.386 5.341 -28.169 1.00 74.43 C ATOM 642 CG PRO A 43 -18.893 4.120 -28.857 1.00 42.11 C ATOM 643 CD PRO A 43 -20.388 4.268 -28.915 1.00 32.53 C ATOM 0 HA PRO A 43 -19.512 7.209 -27.816 1.00 62.53 H new ATOM 0 HB2 PRO A 43 -17.365 5.571 -28.473 1.00 74.43 H new ATOM 0 HB3 PRO A 43 -18.375 5.210 -27.087 1.00 74.43 H new ATOM 0 HG2 PRO A 43 -18.470 4.032 -29.858 1.00 42.11 H new ATOM 0 HG3 PRO A 43 -18.611 3.219 -28.312 1.00 42.11 H new ATOM 0 HD2 PRO A 43 -20.802 3.814 -29.815 1.00 32.53 H new ATOM 0 HD3 PRO A 43 -20.872 3.789 -28.064 1.00 32.53 H new ATOM 651 N ASP A 44 -19.097 6.714 -30.982 1.00 54.12 N ATOM 652 CA ASP A 44 -18.634 7.349 -32.210 1.00 51.34 C ATOM 653 C ASP A 44 -19.502 8.555 -32.559 1.00 65.34 C ATOM 654 O ASP A 44 -19.120 9.388 -33.380 1.00 41.23 O ATOM 655 CB ASP A 44 -18.646 6.346 -33.365 1.00 23.35 C ATOM 656 CG ASP A 44 -17.858 6.834 -34.564 1.00 52.14 C ATOM 657 OD1 ASP A 44 -16.719 7.310 -34.373 1.00 70.43 O ATOM 658 OD2 ASP A 44 -18.380 6.740 -35.695 1.00 15.14 O ATOM 0 H ASP A 44 -19.652 5.871 -31.127 1.00 54.12 H new ATOM 0 HA ASP A 44 -17.612 7.693 -32.048 1.00 51.34 H new ATOM 0 HB2 ASP A 44 -18.231 5.398 -33.023 1.00 23.35 H new ATOM 0 HB3 ASP A 44 -19.676 6.154 -33.665 1.00 23.35 H new ATOM 663 N GLN A 45 -20.670 8.639 -31.931 1.00 24.51 N ATOM 664 CA GLN A 45 -21.591 9.741 -32.177 1.00 55.10 C ATOM 665 C GLN A 45 -21.511 10.778 -31.061 1.00 65.33 C ATOM 666 O GLN A 45 -22.036 11.883 -31.190 1.00 0.12 O ATOM 667 CB GLN A 45 -23.024 9.218 -32.301 1.00 3.33 C ATOM 668 CG GLN A 45 -23.396 8.792 -33.711 1.00 71.05 C ATOM 669 CD GLN A 45 -24.400 7.656 -33.732 1.00 50.21 C ATOM 670 OE1 GLN A 45 -25.529 7.802 -33.263 1.00 30.33 O ATOM 671 NE2 GLN A 45 -23.993 6.516 -34.278 1.00 54.11 N ATOM 0 H GLN A 45 -21.001 7.957 -31.248 1.00 24.51 H new ATOM 0 HA GLN A 45 -21.303 10.219 -33.113 1.00 55.10 H new ATOM 0 HB2 GLN A 45 -23.152 8.370 -31.629 1.00 3.33 H new ATOM 0 HB3 GLN A 45 -23.715 9.994 -31.971 1.00 3.33 H new ATOM 0 HG2 GLN A 45 -23.809 9.646 -34.248 1.00 71.05 H new ATOM 0 HG3 GLN A 45 -22.496 8.486 -34.243 1.00 71.05 H new ATOM 0 HE21 GLN A 45 -23.048 6.440 -34.655 1.00 54.11 H new ATOM 0 HE22 GLN A 45 -24.625 5.717 -34.321 1.00 54.11 H new ATOM 680 N GLN A 46 -20.850 10.412 -29.968 1.00 5.34 N ATOM 681 CA GLN A 46 -20.701 11.311 -28.829 1.00 54.21 C ATOM 682 C GLN A 46 -19.300 11.911 -28.788 1.00 23.33 C ATOM 683 O GLN A 46 -18.343 11.311 -29.278 1.00 42.00 O ATOM 684 CB GLN A 46 -20.989 10.567 -27.524 1.00 54.10 C ATOM 685 CG GLN A 46 -19.947 9.516 -27.180 1.00 63.33 C ATOM 686 CD GLN A 46 -19.004 9.966 -26.081 1.00 73.34 C ATOM 687 OE1 GLN A 46 -18.040 10.689 -26.332 1.00 62.34 O ATOM 688 NE2 GLN A 46 -19.279 9.539 -24.854 1.00 52.51 N ATOM 0 H GLN A 46 -20.409 9.500 -29.847 1.00 5.34 H new ATOM 0 HA GLN A 46 -21.420 12.122 -28.943 1.00 54.21 H new ATOM 0 HB2 GLN A 46 -21.047 11.289 -26.709 1.00 54.10 H new ATOM 0 HB3 GLN A 46 -21.966 10.088 -27.596 1.00 54.10 H new ATOM 0 HG2 GLN A 46 -20.449 8.600 -26.870 1.00 63.33 H new ATOM 0 HG3 GLN A 46 -19.370 9.276 -28.073 1.00 63.33 H new ATOM 0 HE21 GLN A 46 -20.089 8.941 -24.692 1.00 52.51 H new ATOM 0 HE22 GLN A 46 -18.680 9.809 -24.074 1.00 52.51 H new ATOM 697 N ARG A 47 -19.186 13.097 -28.200 1.00 11.31 N ATOM 698 CA ARG A 47 -17.901 13.779 -28.096 1.00 74.42 C ATOM 699 C ARG A 47 -17.752 14.453 -26.736 1.00 0.05 C ATOM 700 O ARG A 47 -18.741 14.723 -26.052 1.00 62.43 O ATOM 701 CB ARG A 47 -17.759 14.817 -29.210 1.00 53.24 C ATOM 702 CG ARG A 47 -17.216 14.246 -30.510 1.00 25.13 C ATOM 703 CD ARG A 47 -18.330 13.969 -31.506 1.00 74.31 C ATOM 704 NE ARG A 47 -17.828 13.861 -32.873 1.00 72.02 N ATOM 705 CZ ARG A 47 -18.615 13.767 -33.940 1.00 4.33 C ATOM 706 NH1 ARG A 47 -19.933 13.769 -33.798 1.00 22.33 N ATOM 707 NH2 ARG A 47 -18.083 13.673 -35.152 1.00 24.44 N ATOM 0 H ARG A 47 -19.968 13.606 -27.788 1.00 11.31 H new ATOM 0 HA ARG A 47 -17.113 13.033 -28.201 1.00 74.42 H new ATOM 0 HB2 ARG A 47 -18.733 15.269 -29.400 1.00 53.24 H new ATOM 0 HB3 ARG A 47 -17.099 15.615 -28.870 1.00 53.24 H new ATOM 0 HG2 ARG A 47 -16.503 14.946 -30.946 1.00 25.13 H new ATOM 0 HG3 ARG A 47 -16.673 13.324 -30.304 1.00 25.13 H new ATOM 0 HD2 ARG A 47 -18.839 13.045 -31.233 1.00 74.31 H new ATOM 0 HD3 ARG A 47 -19.070 14.768 -31.454 1.00 74.31 H new ATOM 0 HE ARG A 47 -16.818 13.858 -33.017 1.00 72.02 H new ATOM 0 HH11 ARG A 47 -20.346 13.843 -32.868 1.00 22.33 H new ATOM 0 HH12 ARG A 47 -20.534 13.697 -34.619 1.00 22.33 H new ATOM 0 HH21 ARG A 47 -17.069 13.673 -35.265 1.00 24.44 H new ATOM 0 HH22 ARG A 47 -18.688 13.601 -35.970 1.00 24.44 H new ATOM 721 N LEU A 48 -16.510 14.722 -26.348 1.00 13.42 N ATOM 722 CA LEU A 48 -16.231 15.365 -25.068 1.00 63.04 C ATOM 723 C LEU A 48 -15.831 16.824 -25.267 1.00 70.54 C ATOM 724 O LEU A 48 -15.192 17.172 -26.261 1.00 13.22 O ATOM 725 CB LEU A 48 -15.119 14.616 -24.331 1.00 73.22 C ATOM 726 CG LEU A 48 -15.103 13.097 -24.507 1.00 23.01 C ATOM 727 CD1 LEU A 48 -16.517 12.539 -24.464 1.00 2.23 C ATOM 728 CD2 LEU A 48 -14.418 12.719 -25.812 1.00 62.50 C ATOM 0 H LEU A 48 -15.681 14.505 -26.901 1.00 13.42 H new ATOM 0 HA LEU A 48 -17.141 15.335 -24.468 1.00 63.04 H new ATOM 0 HB2 LEU A 48 -14.159 15.011 -24.665 1.00 73.22 H new ATOM 0 HB3 LEU A 48 -15.202 14.838 -23.267 1.00 73.22 H new ATOM 0 HG LEU A 48 -14.538 12.661 -23.683 1.00 23.01 H new ATOM 0 HD11 LEU A 48 -16.485 11.457 -24.591 1.00 2.23 H new ATOM 0 HD12 LEU A 48 -16.974 12.778 -23.504 1.00 2.23 H new ATOM 0 HD13 LEU A 48 -17.107 12.981 -25.267 1.00 2.23 H new ATOM 0 HD21 LEU A 48 -14.416 11.634 -25.921 1.00 62.50 H new ATOM 0 HD22 LEU A 48 -14.956 13.166 -26.648 1.00 62.50 H new ATOM 0 HD23 LEU A 48 -13.391 13.085 -25.803 1.00 62.50 H new ATOM 740 N ILE A 49 -16.209 17.670 -24.316 1.00 13.31 N ATOM 741 CA ILE A 49 -15.887 19.090 -24.386 1.00 13.25 C ATOM 742 C ILE A 49 -15.495 19.633 -23.015 1.00 73.24 C ATOM 743 O ILE A 49 -16.186 19.401 -22.023 1.00 20.41 O ATOM 744 CB ILE A 49 -17.072 19.910 -24.930 1.00 42.12 C ATOM 745 CG1 ILE A 49 -16.976 20.037 -26.452 1.00 21.40 C ATOM 746 CG2 ILE A 49 -17.108 21.285 -24.280 1.00 44.11 C ATOM 747 CD1 ILE A 49 -18.167 19.458 -27.183 1.00 30.32 C ATOM 0 H ILE A 49 -16.738 17.397 -23.488 1.00 13.31 H new ATOM 0 HA ILE A 49 -15.043 19.189 -25.069 1.00 13.25 H new ATOM 0 HB ILE A 49 -17.998 19.390 -24.685 1.00 42.12 H new ATOM 0 HG12 ILE A 49 -16.875 21.090 -26.715 1.00 21.40 H new ATOM 0 HG13 ILE A 49 -16.071 19.535 -26.794 1.00 21.40 H new ATOM 0 HG21 ILE A 49 -17.951 21.852 -24.675 1.00 44.11 H new ATOM 0 HG22 ILE A 49 -17.218 21.175 -23.201 1.00 44.11 H new ATOM 0 HG23 ILE A 49 -16.181 21.815 -24.498 1.00 44.11 H new ATOM 0 HD11 ILE A 49 -18.031 19.583 -28.257 1.00 30.32 H new ATOM 0 HD12 ILE A 49 -18.256 18.397 -26.950 1.00 30.32 H new ATOM 0 HD13 ILE A 49 -19.073 19.976 -26.870 1.00 30.32 H new ATOM 759 N PHE A 50 -14.383 20.358 -22.969 1.00 0.44 N ATOM 760 CA PHE A 50 -13.899 20.936 -21.720 1.00 63.40 C ATOM 761 C PHE A 50 -13.618 22.427 -21.883 1.00 34.31 C ATOM 762 O PHE A 50 -12.673 22.821 -22.564 1.00 24.03 O ATOM 763 CB PHE A 50 -12.631 20.214 -21.258 1.00 1.31 C ATOM 764 CG PHE A 50 -12.262 20.506 -19.831 1.00 63.44 C ATOM 765 CD1 PHE A 50 -11.525 21.634 -19.509 1.00 63.22 C ATOM 766 CD2 PHE A 50 -12.651 19.651 -18.813 1.00 31.12 C ATOM 767 CE1 PHE A 50 -11.184 21.905 -18.197 1.00 44.05 C ATOM 768 CE2 PHE A 50 -12.313 19.917 -17.499 1.00 53.14 C ATOM 769 CZ PHE A 50 -11.578 21.045 -17.191 1.00 64.24 C ATOM 0 H PHE A 50 -13.800 20.560 -23.781 1.00 0.44 H new ATOM 0 HA PHE A 50 -14.676 20.811 -20.966 1.00 63.40 H new ATOM 0 HB2 PHE A 50 -12.771 19.139 -21.376 1.00 1.31 H new ATOM 0 HB3 PHE A 50 -11.802 20.501 -21.905 1.00 1.31 H new ATOM 0 HD1 PHE A 50 -11.213 22.309 -20.292 1.00 63.22 H new ATOM 0 HD2 PHE A 50 -13.225 18.767 -19.048 1.00 31.12 H new ATOM 0 HE1 PHE A 50 -10.610 22.788 -17.959 1.00 44.05 H new ATOM 0 HE2 PHE A 50 -12.623 19.243 -16.714 1.00 53.14 H new ATOM 0 HZ PHE A 50 -11.312 21.254 -16.165 1.00 64.24 H new ATOM 779 N GLY A 51 -14.449 23.251 -21.252 1.00 53.44 N ATOM 780 CA GLY A 51 -14.275 24.690 -21.340 1.00 33.50 C ATOM 781 C GLY A 51 -14.662 25.239 -22.699 1.00 34.32 C ATOM 782 O GLY A 51 -14.580 26.443 -22.936 1.00 0.02 O ATOM 0 H GLY A 51 -15.239 22.949 -20.682 1.00 53.44 H new ATOM 0 HA2 GLY A 51 -14.878 25.173 -20.571 1.00 33.50 H new ATOM 0 HA3 GLY A 51 -13.234 24.940 -21.133 1.00 33.50 H new ATOM 786 N GLY A 52 -15.085 24.352 -23.595 1.00 51.33 N ATOM 787 CA GLY A 52 -15.478 24.774 -24.927 1.00 70.11 C ATOM 788 C GLY A 52 -14.750 24.011 -26.015 1.00 64.35 C ATOM 789 O GLY A 52 -15.261 23.856 -27.125 1.00 21.12 O ATOM 0 H GLY A 52 -15.162 23.350 -23.422 1.00 51.33 H new ATOM 0 HA2 GLY A 52 -16.552 24.635 -25.047 1.00 70.11 H new ATOM 0 HA3 GLY A 52 -15.280 25.840 -25.040 1.00 70.11 H new ATOM 793 N LYS A 53 -13.551 23.533 -25.700 1.00 4.12 N ATOM 794 CA LYS A 53 -12.749 22.782 -26.659 1.00 20.15 C ATOM 795 C LYS A 53 -12.996 21.283 -26.519 1.00 12.34 C ATOM 796 O LYS A 53 -13.229 20.784 -25.418 1.00 53.30 O ATOM 797 CB LYS A 53 -11.262 23.085 -26.460 1.00 12.13 C ATOM 798 CG LYS A 53 -10.764 22.793 -25.055 1.00 34.42 C ATOM 799 CD LYS A 53 -10.214 21.381 -24.941 1.00 44.00 C ATOM 800 CE LYS A 53 -8.987 21.189 -25.820 1.00 75.53 C ATOM 801 NZ LYS A 53 -7.890 20.490 -25.096 1.00 61.53 N ATOM 0 H LYS A 53 -13.113 23.652 -24.787 1.00 4.12 H new ATOM 0 HA LYS A 53 -13.045 23.089 -27.662 1.00 20.15 H new ATOM 0 HB2 LYS A 53 -10.682 22.497 -27.171 1.00 12.13 H new ATOM 0 HB3 LYS A 53 -11.080 24.135 -26.690 1.00 12.13 H new ATOM 0 HG2 LYS A 53 -9.988 23.510 -24.787 1.00 34.42 H new ATOM 0 HG3 LYS A 53 -11.579 22.925 -24.344 1.00 34.42 H new ATOM 0 HD2 LYS A 53 -9.956 21.173 -23.903 1.00 44.00 H new ATOM 0 HD3 LYS A 53 -10.984 20.665 -25.228 1.00 44.00 H new ATOM 0 HE2 LYS A 53 -9.261 20.615 -26.706 1.00 75.53 H new ATOM 0 HE3 LYS A 53 -8.633 22.160 -26.166 1.00 75.53 H new ATOM 0 HZ1 LYS A 53 -7.072 20.378 -25.729 1.00 61.53 H new ATOM 0 HZ2 LYS A 53 -7.611 21.049 -24.265 1.00 61.53 H new ATOM 0 HZ3 LYS A 53 -8.219 19.553 -24.788 1.00 61.53 H new ATOM 815 N GLN A 54 -12.942 20.572 -27.640 1.00 32.10 N ATOM 816 CA GLN A 54 -13.160 19.130 -27.641 1.00 3.14 C ATOM 817 C GLN A 54 -11.927 18.393 -27.126 1.00 14.50 C ATOM 818 O GLN A 54 -10.818 18.928 -27.147 1.00 22.04 O ATOM 819 CB GLN A 54 -13.506 18.646 -29.050 1.00 14.03 C ATOM 820 CG GLN A 54 -14.917 18.093 -29.173 1.00 52.41 C ATOM 821 CD GLN A 54 -15.451 18.166 -30.590 1.00 44.23 C ATOM 822 OE1 GLN A 54 -15.440 17.176 -31.322 1.00 25.33 O ATOM 823 NE2 GLN A 54 -15.922 19.343 -30.986 1.00 63.10 N ATOM 0 H GLN A 54 -12.749 20.970 -28.559 1.00 32.10 H new ATOM 0 HA GLN A 54 -13.995 18.914 -26.975 1.00 3.14 H new ATOM 0 HB2 GLN A 54 -13.387 19.474 -29.749 1.00 14.03 H new ATOM 0 HB3 GLN A 54 -12.795 17.874 -29.345 1.00 14.03 H new ATOM 0 HG2 GLN A 54 -14.927 17.056 -28.838 1.00 52.41 H new ATOM 0 HG3 GLN A 54 -15.580 18.649 -28.510 1.00 52.41 H new ATOM 0 HE21 GLN A 54 -15.912 20.138 -30.347 1.00 63.10 H new ATOM 0 HE22 GLN A 54 -16.294 19.452 -31.930 1.00 63.10 H new ATOM 832 N LEU A 55 -12.129 17.164 -26.664 1.00 51.34 N ATOM 833 CA LEU A 55 -11.034 16.353 -26.143 1.00 40.45 C ATOM 834 C LEU A 55 -10.706 15.207 -27.094 1.00 63.50 C ATOM 835 O LEU A 55 -11.580 14.422 -27.460 1.00 52.11 O ATOM 836 CB LEU A 55 -11.395 15.800 -24.764 1.00 25.03 C ATOM 837 CG LEU A 55 -11.813 16.831 -23.715 1.00 41.33 C ATOM 838 CD1 LEU A 55 -11.987 16.171 -22.357 1.00 33.24 C ATOM 839 CD2 LEU A 55 -10.791 17.956 -23.636 1.00 52.23 C ATOM 0 H LEU A 55 -13.041 16.707 -26.640 1.00 51.34 H new ATOM 0 HA LEU A 55 -10.153 16.989 -26.053 1.00 40.45 H new ATOM 0 HB2 LEU A 55 -12.207 15.083 -24.884 1.00 25.03 H new ATOM 0 HB3 LEU A 55 -10.537 15.248 -24.380 1.00 25.03 H new ATOM 0 HG LEU A 55 -12.771 17.257 -24.014 1.00 41.33 H new ATOM 0 HD11 LEU A 55 -12.284 16.921 -21.624 1.00 33.24 H new ATOM 0 HD12 LEU A 55 -12.756 15.402 -22.422 1.00 33.24 H new ATOM 0 HD13 LEU A 55 -11.045 15.717 -22.050 1.00 33.24 H new ATOM 0 HD21 LEU A 55 -11.105 18.680 -22.884 1.00 52.23 H new ATOM 0 HD22 LEU A 55 -9.819 17.546 -23.361 1.00 52.23 H new ATOM 0 HD23 LEU A 55 -10.716 18.448 -24.606 1.00 52.23 H new ATOM 851 N GLU A 56 -9.439 15.115 -27.488 1.00 12.02 N ATOM 852 CA GLU A 56 -8.996 14.063 -28.395 1.00 31.33 C ATOM 853 C GLU A 56 -9.123 12.691 -27.739 1.00 62.51 C ATOM 854 O GLU A 56 -9.651 12.565 -26.634 1.00 51.02 O ATOM 855 CB GLU A 56 -7.547 14.304 -28.822 1.00 62.01 C ATOM 856 CG GLU A 56 -7.281 15.722 -29.299 1.00 21.02 C ATOM 857 CD GLU A 56 -6.596 15.764 -30.651 1.00 1.00 C ATOM 858 OE1 GLU A 56 -5.755 14.881 -30.918 1.00 61.34 O ATOM 859 OE2 GLU A 56 -6.902 16.681 -31.442 1.00 22.01 O ATOM 0 H GLU A 56 -8.702 15.756 -27.193 1.00 12.02 H new ATOM 0 HA GLU A 56 -9.636 14.086 -29.277 1.00 31.33 H new ATOM 0 HB2 GLU A 56 -6.888 14.082 -27.982 1.00 62.01 H new ATOM 0 HB3 GLU A 56 -7.292 13.607 -29.620 1.00 62.01 H new ATOM 0 HG2 GLU A 56 -8.224 16.265 -29.357 1.00 21.02 H new ATOM 0 HG3 GLU A 56 -6.661 16.238 -28.566 1.00 21.02 H new ATOM 866 N ASP A 57 -8.635 11.665 -28.428 1.00 71.03 N ATOM 867 CA ASP A 57 -8.693 10.302 -27.914 1.00 63.41 C ATOM 868 C ASP A 57 -7.701 10.110 -26.771 1.00 21.40 C ATOM 869 O ASP A 57 -7.874 9.230 -25.927 1.00 43.31 O ATOM 870 CB ASP A 57 -8.402 9.299 -29.032 1.00 45.31 C ATOM 871 CG ASP A 57 -9.234 9.557 -30.272 1.00 55.43 C ATOM 872 OD1 ASP A 57 -10.478 9.520 -30.169 1.00 72.35 O ATOM 873 OD2 ASP A 57 -8.642 9.796 -31.346 1.00 15.11 O ATOM 0 H ASP A 57 -8.195 11.752 -29.344 1.00 71.03 H new ATOM 0 HA ASP A 57 -9.699 10.127 -27.532 1.00 63.41 H new ATOM 0 HB2 ASP A 57 -7.344 9.345 -29.292 1.00 45.31 H new ATOM 0 HB3 ASP A 57 -8.597 8.289 -28.670 1.00 45.31 H new ATOM 878 N SER A 58 -6.661 10.938 -26.751 1.00 32.51 N ATOM 879 CA SER A 58 -5.639 10.856 -25.714 1.00 62.24 C ATOM 880 C SER A 58 -5.708 12.065 -24.787 1.00 2.12 C ATOM 881 O SER A 58 -4.882 12.219 -23.888 1.00 12.21 O ATOM 882 CB SER A 58 -4.249 10.762 -26.346 1.00 65.11 C ATOM 883 OG SER A 58 -3.273 10.405 -25.382 1.00 34.21 O ATOM 0 H SER A 58 -6.504 11.673 -27.441 1.00 32.51 H new ATOM 0 HA SER A 58 -5.824 9.958 -25.125 1.00 62.24 H new ATOM 0 HB2 SER A 58 -4.260 10.024 -27.148 1.00 65.11 H new ATOM 0 HB3 SER A 58 -3.986 11.719 -26.797 1.00 65.11 H new ATOM 0 HG SER A 58 -3.454 10.878 -24.543 1.00 34.21 H new ATOM 889 N ASN A 59 -6.699 12.921 -25.013 1.00 35.41 N ATOM 890 CA ASN A 59 -6.877 14.117 -24.198 1.00 52.34 C ATOM 891 C ASN A 59 -7.676 13.803 -22.937 1.00 4.01 C ATOM 892 O ASN A 59 -8.876 14.066 -22.868 1.00 42.21 O ATOM 893 CB ASN A 59 -7.585 15.208 -25.005 1.00 21.10 C ATOM 894 CG ASN A 59 -7.348 16.593 -24.436 1.00 14.54 C ATOM 895 OD1 ASN A 59 -7.828 16.921 -23.350 1.00 24.42 O ATOM 896 ND2 ASN A 59 -6.606 17.415 -25.169 1.00 14.44 N ATOM 0 H ASN A 59 -7.391 12.809 -25.754 1.00 35.41 H new ATOM 0 HA ASN A 59 -5.891 14.474 -23.902 1.00 52.34 H new ATOM 0 HB2 ASN A 59 -7.236 15.177 -26.037 1.00 21.10 H new ATOM 0 HB3 ASN A 59 -8.656 15.005 -25.025 1.00 21.10 H new ATOM 0 HD21 ASN A 59 -6.414 18.360 -24.838 1.00 14.44 H new ATOM 0 HD22 ASN A 59 -6.228 17.101 -26.063 1.00 14.44 H new ATOM 903 N ALA A 60 -7.000 13.239 -21.941 1.00 13.11 N ATOM 904 CA ALA A 60 -7.645 12.892 -20.681 1.00 35.51 C ATOM 905 C ALA A 60 -6.623 12.418 -19.653 1.00 74.01 C ATOM 906 O ALA A 60 -6.203 13.182 -18.784 1.00 74.24 O ATOM 907 CB ALA A 60 -8.704 11.822 -20.907 1.00 64.13 C ATOM 0 H ALA A 60 -6.006 13.013 -21.983 1.00 13.11 H new ATOM 0 HA ALA A 60 -8.127 13.788 -20.289 1.00 35.51 H new ATOM 0 HB1 ALA A 60 -9.178 11.573 -19.957 1.00 64.13 H new ATOM 0 HB2 ALA A 60 -9.457 12.196 -21.601 1.00 64.13 H new ATOM 0 HB3 ALA A 60 -8.237 10.930 -21.325 1.00 64.13 H new ATOM 913 N MET A 61 -6.228 11.154 -19.758 1.00 21.52 N ATOM 914 CA MET A 61 -5.254 10.579 -18.837 1.00 32.03 C ATOM 915 C MET A 61 -3.851 11.099 -19.134 1.00 55.14 C ATOM 916 O MET A 61 -3.214 11.717 -18.281 1.00 73.23 O ATOM 917 CB MET A 61 -5.274 9.052 -18.927 1.00 33.12 C ATOM 918 CG MET A 61 -6.672 8.469 -19.059 1.00 10.31 C ATOM 919 SD MET A 61 -7.819 9.130 -17.835 1.00 3.45 S ATOM 920 CE MET A 61 -9.369 9.011 -18.724 1.00 11.34 C ATOM 0 H MET A 61 -6.567 10.508 -20.471 1.00 21.52 H new ATOM 0 HA MET A 61 -5.527 10.880 -17.826 1.00 32.03 H new ATOM 0 HB2 MET A 61 -4.676 8.739 -19.783 1.00 33.12 H new ATOM 0 HB3 MET A 61 -4.799 8.638 -18.038 1.00 33.12 H new ATOM 0 HG2 MET A 61 -7.055 8.676 -20.059 1.00 10.31 H new ATOM 0 HG3 MET A 61 -6.621 7.385 -18.955 1.00 10.31 H new ATOM 0 HE1 MET A 61 -10.034 9.814 -18.405 1.00 11.34 H new ATOM 0 HE2 MET A 61 -9.182 9.098 -19.794 1.00 11.34 H new ATOM 0 HE3 MET A 61 -9.836 8.049 -18.514 1.00 11.34 H new ATOM 930 N SER A 62 -3.376 10.845 -20.349 1.00 73.15 N ATOM 931 CA SER A 62 -2.047 11.284 -20.758 1.00 12.22 C ATOM 932 C SER A 62 -1.912 12.798 -20.630 1.00 13.52 C ATOM 933 O SER A 62 -0.836 13.313 -20.327 1.00 42.51 O ATOM 934 CB SER A 62 -1.766 10.856 -22.199 1.00 62.33 C ATOM 935 OG SER A 62 -0.388 10.583 -22.391 1.00 14.13 O ATOM 0 H SER A 62 -3.892 10.337 -21.068 1.00 73.15 H new ATOM 0 HA SER A 62 -1.317 10.814 -20.098 1.00 12.22 H new ATOM 0 HB2 SER A 62 -2.352 9.969 -22.439 1.00 62.33 H new ATOM 0 HB3 SER A 62 -2.083 11.643 -22.884 1.00 62.33 H new ATOM 0 HG SER A 62 -0.235 10.310 -23.320 1.00 14.13 H new ATOM 941 N ASP A 63 -3.012 13.506 -20.863 1.00 34.33 N ATOM 942 CA ASP A 63 -3.019 14.961 -20.773 1.00 10.21 C ATOM 943 C ASP A 63 -2.648 15.421 -19.366 1.00 63.54 C ATOM 944 O ASP A 63 -2.190 16.547 -19.171 1.00 31.33 O ATOM 945 CB ASP A 63 -4.394 15.511 -21.156 1.00 21.10 C ATOM 946 CG ASP A 63 -4.337 16.963 -21.587 1.00 12.20 C ATOM 947 OD1 ASP A 63 -3.937 17.811 -20.762 1.00 53.24 O ATOM 948 OD2 ASP A 63 -4.694 17.252 -22.749 1.00 3.13 O ATOM 0 H ASP A 63 -3.911 13.095 -21.116 1.00 34.33 H new ATOM 0 HA ASP A 63 -2.275 15.346 -21.470 1.00 10.21 H new ATOM 0 HB2 ASP A 63 -4.810 14.911 -21.965 1.00 21.10 H new ATOM 0 HB3 ASP A 63 -5.071 15.413 -20.307 1.00 21.10 H new ATOM 953 N TYR A 64 -2.849 14.542 -18.390 1.00 43.15 N ATOM 954 CA TYR A 64 -2.538 14.859 -17.001 1.00 74.44 C ATOM 955 C TYR A 64 -3.586 15.796 -16.409 1.00 35.31 C ATOM 956 O TYR A 64 -3.257 16.741 -15.694 1.00 63.11 O ATOM 957 CB TYR A 64 -1.152 15.496 -16.899 1.00 41.31 C ATOM 958 CG TYR A 64 -0.104 14.807 -17.744 1.00 35.31 C ATOM 959 CD1 TYR A 64 0.224 13.474 -17.528 1.00 10.21 C ATOM 960 CD2 TYR A 64 0.556 15.488 -18.759 1.00 61.00 C ATOM 961 CE1 TYR A 64 1.181 12.841 -18.297 1.00 31.32 C ATOM 962 CE2 TYR A 64 1.513 14.862 -19.534 1.00 3.01 C ATOM 963 CZ TYR A 64 1.823 13.539 -19.299 1.00 35.43 C ATOM 964 OH TYR A 64 2.775 12.911 -20.068 1.00 23.32 O ATOM 0 H TYR A 64 -3.226 13.605 -18.535 1.00 43.15 H new ATOM 0 HA TYR A 64 -2.545 13.929 -16.432 1.00 74.44 H new ATOM 0 HB2 TYR A 64 -1.219 16.542 -17.200 1.00 41.31 H new ATOM 0 HB3 TYR A 64 -0.832 15.484 -15.857 1.00 41.31 H new ATOM 0 HD1 TYR A 64 -0.278 12.924 -16.746 1.00 10.21 H new ATOM 0 HD2 TYR A 64 0.317 16.525 -18.945 1.00 61.00 H new ATOM 0 HE1 TYR A 64 1.425 11.805 -18.115 1.00 31.32 H new ATOM 0 HE2 TYR A 64 2.016 15.406 -20.320 1.00 3.01 H new ATOM 0 HH TYR A 64 3.130 13.542 -20.729 1.00 23.32 H new ATOM 974 N ASN A 65 -4.852 15.525 -16.712 1.00 61.21 N ATOM 975 CA ASN A 65 -5.950 16.343 -16.210 1.00 70.22 C ATOM 976 C ASN A 65 -7.038 15.472 -15.590 1.00 21.44 C ATOM 977 O ASN A 65 -8.109 15.960 -15.229 1.00 22.24 O ATOM 978 CB ASN A 65 -6.541 17.189 -17.340 1.00 30.31 C ATOM 979 CG ASN A 65 -7.412 18.317 -16.822 1.00 75.23 C ATOM 980 OD1 ASN A 65 -7.212 18.812 -15.713 1.00 74.20 O ATOM 981 ND2 ASN A 65 -8.386 18.728 -17.626 1.00 12.40 N ATOM 0 H ASN A 65 -5.142 14.746 -17.302 1.00 61.21 H new ATOM 0 HA ASN A 65 -5.555 17.004 -15.439 1.00 70.22 H new ATOM 0 HB2 ASN A 65 -5.732 17.605 -17.941 1.00 30.31 H new ATOM 0 HB3 ASN A 65 -7.131 16.551 -17.998 1.00 30.31 H new ATOM 0 HD21 ASN A 65 -9.005 19.483 -17.332 1.00 12.40 H new ATOM 0 HD22 ASN A 65 -8.515 18.288 -18.537 1.00 12.40 H new ATOM 988 N VAL A 66 -6.755 14.178 -15.468 1.00 11.40 N ATOM 989 CA VAL A 66 -7.708 13.239 -14.889 1.00 70.45 C ATOM 990 C VAL A 66 -7.510 13.113 -13.383 1.00 73.11 C ATOM 991 O VAL A 66 -6.424 12.770 -12.917 1.00 33.12 O ATOM 992 CB VAL A 66 -7.581 11.844 -15.531 1.00 40.11 C ATOM 993 CG1 VAL A 66 -6.210 11.249 -15.248 1.00 32.21 C ATOM 994 CG2 VAL A 66 -8.685 10.925 -15.030 1.00 25.13 C ATOM 0 H VAL A 66 -5.874 13.757 -15.762 1.00 11.40 H new ATOM 0 HA VAL A 66 -8.704 13.634 -15.089 1.00 70.45 H new ATOM 0 HB VAL A 66 -7.689 11.948 -16.611 1.00 40.11 H new ATOM 0 HG11 VAL A 66 -6.139 10.264 -15.709 1.00 32.21 H new ATOM 0 HG12 VAL A 66 -5.439 11.899 -15.661 1.00 32.21 H new ATOM 0 HG13 VAL A 66 -6.069 11.157 -14.171 1.00 32.21 H new ATOM 0 HG21 VAL A 66 -8.580 9.944 -15.494 1.00 25.13 H new ATOM 0 HG22 VAL A 66 -8.611 10.824 -13.947 1.00 25.13 H new ATOM 0 HG23 VAL A 66 -9.656 11.347 -15.290 1.00 25.13 H new ATOM 1004 N GLN A 67 -8.568 13.392 -12.628 1.00 5.43 N ATOM 1005 CA GLN A 67 -8.509 13.310 -11.173 1.00 15.50 C ATOM 1006 C GLN A 67 -9.566 12.349 -10.639 1.00 62.54 C ATOM 1007 O GLN A 67 -10.355 11.790 -11.402 1.00 44.01 O ATOM 1008 CB GLN A 67 -8.705 14.696 -10.555 1.00 35.11 C ATOM 1009 CG GLN A 67 -10.050 15.324 -10.884 1.00 11.21 C ATOM 1010 CD GLN A 67 -10.464 16.378 -9.876 1.00 34.44 C ATOM 1011 OE1 GLN A 67 -10.496 16.122 -8.671 1.00 41.54 O ATOM 1012 NE2 GLN A 67 -10.785 17.570 -10.363 1.00 50.51 N ATOM 0 H GLN A 67 -9.475 13.676 -12.999 1.00 5.43 H new ATOM 0 HA GLN A 67 -7.525 12.931 -10.895 1.00 15.50 H new ATOM 0 HB2 GLN A 67 -8.604 14.620 -9.472 1.00 35.11 H new ATOM 0 HB3 GLN A 67 -7.910 15.356 -10.903 1.00 35.11 H new ATOM 0 HG2 GLN A 67 -10.004 15.774 -11.876 1.00 11.21 H new ATOM 0 HG3 GLN A 67 -10.811 14.545 -10.922 1.00 11.21 H new ATOM 0 HE21 GLN A 67 -10.744 17.738 -11.368 1.00 50.51 H new ATOM 0 HE22 GLN A 67 -11.072 18.318 -9.732 1.00 50.51 H new ATOM 1021 N LYS A 68 -9.576 12.159 -9.324 1.00 63.33 N ATOM 1022 CA LYS A 68 -10.535 11.265 -8.687 1.00 34.00 C ATOM 1023 C LYS A 68 -11.964 11.643 -9.064 1.00 33.21 C ATOM 1024 O LYS A 68 -12.846 10.787 -9.124 1.00 33.01 O ATOM 1025 CB LYS A 68 -10.370 11.306 -7.166 1.00 41.41 C ATOM 1026 CG LYS A 68 -11.212 10.276 -6.434 1.00 61.44 C ATOM 1027 CD LYS A 68 -10.715 8.863 -6.694 1.00 43.41 C ATOM 1028 CE LYS A 68 -9.680 8.439 -5.664 1.00 23.43 C ATOM 1029 NZ LYS A 68 -10.241 8.430 -4.284 1.00 52.05 N ATOM 0 H LYS A 68 -8.930 12.613 -8.678 1.00 63.33 H new ATOM 0 HA LYS A 68 -10.340 10.252 -9.040 1.00 34.00 H new ATOM 0 HB2 LYS A 68 -9.320 11.147 -6.919 1.00 41.41 H new ATOM 0 HB3 LYS A 68 -10.635 12.301 -6.807 1.00 41.41 H new ATOM 0 HG2 LYS A 68 -11.188 10.480 -5.363 1.00 61.44 H new ATOM 0 HG3 LYS A 68 -12.251 10.362 -6.752 1.00 61.44 H new ATOM 0 HD2 LYS A 68 -11.556 8.170 -6.673 1.00 43.41 H new ATOM 0 HD3 LYS A 68 -10.281 8.807 -7.692 1.00 43.41 H new ATOM 0 HE2 LYS A 68 -9.308 7.445 -5.911 1.00 23.43 H new ATOM 0 HE3 LYS A 68 -8.828 9.117 -5.705 1.00 23.43 H new ATOM 0 HZ1 LYS A 68 -9.755 7.707 -3.716 1.00 52.05 H new ATOM 0 HZ2 LYS A 68 -10.103 9.364 -3.847 1.00 52.05 H new ATOM 0 HZ3 LYS A 68 -11.257 8.213 -4.324 1.00 52.05 H new ATOM 1043 N GLU A 69 -12.184 12.929 -9.318 1.00 51.10 N ATOM 1044 CA GLU A 69 -13.506 13.418 -9.690 1.00 15.41 C ATOM 1045 C GLU A 69 -13.402 14.711 -10.495 1.00 20.25 C ATOM 1046 O GLU A 69 -13.245 15.794 -9.931 1.00 55.15 O ATOM 1047 CB GLU A 69 -14.359 13.650 -8.440 1.00 42.14 C ATOM 1048 CG GLU A 69 -13.648 14.445 -7.358 1.00 32.44 C ATOM 1049 CD GLU A 69 -14.544 15.486 -6.715 1.00 60.30 C ATOM 1050 OE1 GLU A 69 -14.769 16.542 -7.342 1.00 52.11 O ATOM 1051 OE2 GLU A 69 -15.019 15.245 -5.586 1.00 33.22 O ATOM 0 H GLU A 69 -11.464 13.650 -9.273 1.00 51.10 H new ATOM 0 HA GLU A 69 -13.983 12.661 -10.312 1.00 15.41 H new ATOM 0 HB2 GLU A 69 -15.271 14.175 -8.725 1.00 42.14 H new ATOM 0 HB3 GLU A 69 -14.660 12.685 -8.032 1.00 42.14 H new ATOM 0 HG2 GLU A 69 -13.283 13.762 -6.591 1.00 32.44 H new ATOM 0 HG3 GLU A 69 -12.776 14.937 -7.788 1.00 32.44 H new ATOM 1058 N SER A 70 -13.489 14.587 -11.815 1.00 51.41 N ATOM 1059 CA SER A 70 -13.400 15.744 -12.698 1.00 50.24 C ATOM 1060 C SER A 70 -14.717 15.968 -13.435 1.00 72.10 C ATOM 1061 O SER A 70 -15.397 15.016 -13.820 1.00 13.02 O ATOM 1062 CB SER A 70 -12.264 15.557 -13.706 1.00 75.43 C ATOM 1063 OG SER A 70 -11.478 16.730 -13.812 1.00 45.33 O ATOM 0 H SER A 70 -13.621 13.698 -12.297 1.00 51.41 H new ATOM 0 HA SER A 70 -13.192 16.622 -12.086 1.00 50.24 H new ATOM 0 HB2 SER A 70 -11.636 14.721 -13.399 1.00 75.43 H new ATOM 0 HB3 SER A 70 -12.678 15.303 -14.682 1.00 75.43 H new ATOM 0 HG SER A 70 -10.758 16.584 -14.461 1.00 45.33 H new ATOM 1069 N THR A 71 -15.072 17.234 -13.628 1.00 52.55 N ATOM 1070 CA THR A 71 -16.308 17.585 -14.317 1.00 43.33 C ATOM 1071 C THR A 71 -16.058 17.840 -15.799 1.00 63.44 C ATOM 1072 O THR A 71 -15.341 18.771 -16.168 1.00 13.52 O ATOM 1073 CB THR A 71 -16.962 18.834 -13.697 1.00 4.41 C ATOM 1074 OG1 THR A 71 -15.955 19.785 -13.334 1.00 4.41 O ATOM 1075 CG2 THR A 71 -17.782 18.463 -12.471 1.00 4.35 C ATOM 0 H THR A 71 -14.521 18.034 -13.317 1.00 52.55 H new ATOM 0 HA THR A 71 -16.983 16.737 -14.205 1.00 43.33 H new ATOM 0 HB THR A 71 -17.627 19.275 -14.439 1.00 4.41 H new ATOM 0 HG1 THR A 71 -15.316 19.882 -14.071 1.00 4.41 H new ATOM 0 HG21 THR A 71 -18.234 19.361 -12.050 1.00 4.35 H new ATOM 0 HG22 THR A 71 -18.566 17.762 -12.756 1.00 4.35 H new ATOM 0 HG23 THR A 71 -17.134 18.000 -11.727 1.00 4.35 H new ATOM 1083 N LEU A 72 -16.652 17.007 -16.646 1.00 74.32 N ATOM 1084 CA LEU A 72 -16.495 17.142 -18.090 1.00 62.12 C ATOM 1085 C LEU A 72 -17.852 17.202 -18.783 1.00 14.10 C ATOM 1086 O LEU A 72 -18.819 16.586 -18.333 1.00 22.33 O ATOM 1087 CB LEU A 72 -15.677 15.974 -18.645 1.00 54.24 C ATOM 1088 CG LEU A 72 -15.846 15.686 -20.138 1.00 12.34 C ATOM 1089 CD1 LEU A 72 -15.307 16.841 -20.968 1.00 71.53 C ATOM 1090 CD2 LEU A 72 -15.150 14.386 -20.512 1.00 45.31 C ATOM 0 H LEU A 72 -17.247 16.230 -16.358 1.00 74.32 H new ATOM 0 HA LEU A 72 -15.966 18.075 -18.287 1.00 62.12 H new ATOM 0 HB2 LEU A 72 -14.623 16.170 -18.450 1.00 54.24 H new ATOM 0 HB3 LEU A 72 -15.942 15.074 -18.089 1.00 54.24 H new ATOM 0 HG LEU A 72 -16.910 15.579 -20.351 1.00 12.34 H new ATOM 0 HD11 LEU A 72 -15.435 16.619 -22.027 1.00 71.53 H new ATOM 0 HD12 LEU A 72 -15.851 17.752 -20.720 1.00 71.53 H new ATOM 0 HD13 LEU A 72 -14.248 16.981 -20.752 1.00 71.53 H new ATOM 0 HD21 LEU A 72 -15.281 14.197 -21.578 1.00 45.31 H new ATOM 0 HD22 LEU A 72 -14.087 14.464 -20.285 1.00 45.31 H new ATOM 0 HD23 LEU A 72 -15.583 13.564 -19.942 1.00 45.31 H new ATOM 1102 N HIS A 73 -17.918 17.947 -19.882 1.00 22.10 N ATOM 1103 CA HIS A 73 -19.157 18.085 -20.639 1.00 43.22 C ATOM 1104 C HIS A 73 -19.179 17.125 -21.825 1.00 1.12 C ATOM 1105 O HIS A 73 -18.312 17.180 -22.698 1.00 41.41 O ATOM 1106 CB HIS A 73 -19.321 19.524 -21.130 1.00 34.11 C ATOM 1107 CG HIS A 73 -20.679 19.813 -21.694 1.00 25.31 C ATOM 1108 ND1 HIS A 73 -21.391 20.955 -21.394 1.00 22.31 N ATOM 1109 CD2 HIS A 73 -21.453 19.101 -22.546 1.00 30.12 C ATOM 1110 CE1 HIS A 73 -22.545 20.932 -22.035 1.00 74.03 C ATOM 1111 NE2 HIS A 73 -22.608 19.818 -22.742 1.00 22.32 N ATOM 0 H HIS A 73 -17.128 18.464 -20.268 1.00 22.10 H new ATOM 0 HA HIS A 73 -19.988 17.837 -19.978 1.00 43.22 H new ATOM 0 HB2 HIS A 73 -19.128 20.206 -20.302 1.00 34.11 H new ATOM 0 HB3 HIS A 73 -18.569 19.727 -21.893 1.00 34.11 H new ATOM 0 HD2 HIS A 73 -21.208 18.147 -22.989 1.00 30.12 H new ATOM 0 HE1 HIS A 73 -23.308 21.695 -21.989 1.00 74.03 H new ATOM 0 HE2 HIS A 73 -23.387 19.536 -23.337 1.00 22.32 H new ATOM 1119 N LEU A 74 -20.174 16.246 -21.849 1.00 31.40 N ATOM 1120 CA LEU A 74 -20.309 15.272 -22.927 1.00 41.22 C ATOM 1121 C LEU A 74 -21.536 15.573 -23.782 1.00 21.00 C ATOM 1122 O LEU A 74 -22.666 15.551 -23.294 1.00 70.53 O ATOM 1123 CB LEU A 74 -20.407 13.857 -22.354 1.00 42.32 C ATOM 1124 CG LEU A 74 -21.014 12.800 -23.277 1.00 13.02 C ATOM 1125 CD1 LEU A 74 -20.296 12.785 -24.617 1.00 50.12 C ATOM 1126 CD2 LEU A 74 -20.958 11.427 -22.624 1.00 22.40 C ATOM 0 H LEU A 74 -20.900 16.187 -21.134 1.00 31.40 H new ATOM 0 HA LEU A 74 -19.423 15.341 -23.558 1.00 41.22 H new ATOM 0 HB2 LEU A 74 -19.406 13.531 -22.070 1.00 42.32 H new ATOM 0 HB3 LEU A 74 -21.000 13.897 -21.440 1.00 42.32 H new ATOM 0 HG LEU A 74 -22.059 13.055 -23.452 1.00 13.02 H new ATOM 0 HD11 LEU A 74 -20.742 12.026 -25.260 1.00 50.12 H new ATOM 0 HD12 LEU A 74 -20.389 13.762 -25.090 1.00 50.12 H new ATOM 0 HD13 LEU A 74 -19.242 12.555 -24.462 1.00 50.12 H new ATOM 0 HD21 LEU A 74 -21.394 10.687 -23.295 1.00 22.40 H new ATOM 0 HD22 LEU A 74 -19.920 11.164 -22.419 1.00 22.40 H new ATOM 0 HD23 LEU A 74 -21.519 11.445 -21.690 1.00 22.40 H new ATOM 1138 N VAL A 75 -21.306 15.852 -25.061 1.00 43.50 N ATOM 1139 CA VAL A 75 -22.392 16.154 -25.985 1.00 52.32 C ATOM 1140 C VAL A 75 -22.532 15.066 -27.043 1.00 61.15 C ATOM 1141 O VAL A 75 -21.606 14.813 -27.816 1.00 54.31 O ATOM 1142 CB VAL A 75 -22.175 17.510 -26.684 1.00 24.50 C ATOM 1143 CG1 VAL A 75 -22.475 18.656 -25.731 1.00 55.30 C ATOM 1144 CG2 VAL A 75 -20.755 17.610 -27.220 1.00 64.14 C ATOM 0 H VAL A 75 -20.377 15.875 -25.481 1.00 43.50 H new ATOM 0 HA VAL A 75 -23.306 16.201 -25.393 1.00 52.32 H new ATOM 0 HB VAL A 75 -22.864 17.580 -27.526 1.00 24.50 H new ATOM 0 HG11 VAL A 75 -22.316 19.605 -26.242 1.00 55.30 H new ATOM 0 HG12 VAL A 75 -23.511 18.591 -25.399 1.00 55.30 H new ATOM 0 HG13 VAL A 75 -21.813 18.594 -24.867 1.00 55.30 H new ATOM 0 HG21 VAL A 75 -20.618 18.574 -27.711 1.00 64.14 H new ATOM 0 HG22 VAL A 75 -20.048 17.519 -26.396 1.00 64.14 H new ATOM 0 HG23 VAL A 75 -20.580 16.809 -27.938 1.00 64.14 H new ATOM 1154 N LEU A 76 -23.694 14.424 -27.074 1.00 35.10 N ATOM 1155 CA LEU A 76 -23.957 13.362 -28.039 1.00 22.53 C ATOM 1156 C LEU A 76 -25.073 13.761 -28.999 1.00 2.14 C ATOM 1157 O LEU A 76 -26.090 14.319 -28.586 1.00 21.50 O ATOM 1158 CB LEU A 76 -24.331 12.068 -27.313 1.00 73.12 C ATOM 1159 CG LEU A 76 -23.826 11.934 -25.876 1.00 64.45 C ATOM 1160 CD1 LEU A 76 -24.855 12.474 -24.896 1.00 24.13 C ATOM 1161 CD2 LEU A 76 -23.496 10.482 -25.561 1.00 22.03 C ATOM 0 H LEU A 76 -24.470 14.620 -26.442 1.00 35.10 H new ATOM 0 HA LEU A 76 -23.048 13.198 -28.618 1.00 22.53 H new ATOM 0 HB2 LEU A 76 -25.417 11.981 -27.305 1.00 73.12 H new ATOM 0 HB3 LEU A 76 -23.948 11.227 -27.891 1.00 73.12 H new ATOM 0 HG LEU A 76 -22.915 12.523 -25.774 1.00 64.45 H new ATOM 0 HD11 LEU A 76 -24.478 12.370 -23.879 1.00 24.13 H new ATOM 0 HD12 LEU A 76 -25.042 13.527 -25.108 1.00 24.13 H new ATOM 0 HD13 LEU A 76 -25.784 11.913 -24.998 1.00 24.13 H new ATOM 0 HD21 LEU A 76 -23.138 10.405 -24.534 1.00 22.03 H new ATOM 0 HD22 LEU A 76 -24.391 9.871 -25.680 1.00 22.03 H new ATOM 0 HD23 LEU A 76 -22.722 10.129 -26.243 1.00 22.03 H new ATOM 1173 N ARG A 77 -24.876 13.470 -30.280 1.00 50.44 N ATOM 1174 CA ARG A 77 -25.866 13.798 -31.299 1.00 12.40 C ATOM 1175 C ARG A 77 -26.636 12.553 -31.730 1.00 10.32 C ATOM 1176 O ARG A 77 -26.551 12.125 -32.882 1.00 12.43 O ATOM 1177 CB ARG A 77 -25.188 14.437 -32.512 1.00 55.35 C ATOM 1178 CG ARG A 77 -24.609 15.814 -32.232 1.00 12.22 C ATOM 1179 CD ARG A 77 -23.089 15.796 -32.262 1.00 60.22 C ATOM 1180 NE ARG A 77 -22.529 17.134 -32.432 1.00 64.33 N ATOM 1181 CZ ARG A 77 -22.480 17.767 -33.599 1.00 13.31 C ATOM 1182 NH1 ARG A 77 -22.957 17.188 -34.692 1.00 63.30 N ATOM 1183 NH2 ARG A 77 -21.955 18.984 -33.673 1.00 70.54 N ATOM 0 H ARG A 77 -24.040 13.008 -30.637 1.00 50.44 H new ATOM 0 HA ARG A 77 -26.571 14.509 -30.869 1.00 12.40 H new ATOM 0 HB2 ARG A 77 -24.390 13.781 -32.859 1.00 55.35 H new ATOM 0 HB3 ARG A 77 -25.912 14.515 -33.323 1.00 55.35 H new ATOM 0 HG2 ARG A 77 -24.980 16.523 -32.972 1.00 12.22 H new ATOM 0 HG3 ARG A 77 -24.951 16.162 -31.257 1.00 12.22 H new ATOM 0 HD2 ARG A 77 -22.713 15.361 -31.336 1.00 60.22 H new ATOM 0 HD3 ARG A 77 -22.750 15.155 -33.076 1.00 60.22 H new ATOM 0 HE ARG A 77 -22.155 17.608 -31.610 1.00 64.33 H new ATOM 0 HH11 ARG A 77 -23.363 16.254 -34.638 1.00 63.30 H new ATOM 0 HH12 ARG A 77 -22.918 17.677 -35.586 1.00 63.30 H new ATOM 0 HH21 ARG A 77 -21.589 19.433 -32.834 1.00 70.54 H new ATOM 0 HH22 ARG A 77 -21.918 19.470 -34.569 1.00 70.54 H new