USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 577 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 12 GLN : amide:sc= -6.06! C(o=-14!,f=-19!) USER MOD Set 1.2: A 72 HIS : no HE2:sc= -8.32! C(o=-14!,f=-18!) USER MOD Single : A 4 THR OG1 : rot -5:sc= 0.745 USER MOD Single : A 11 SER OG : rot -47:sc= 1.12 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= -1.56 (180deg=-3.72!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.271 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.066 X(o=-0.066,f=-0.33) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.662 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.39) USER MOD Single : A 44 SER OG : rot -138:sc= -0.627 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= -3.2! USER MOD Single : A 58 GLN : amide:sc=-0.00233 K(o=-0.0023,f=-0.73) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -110:sc= -0.711 USER MOD Single : A 63 GLN : amide:sc= -0.0965 K(o=-0.096,f=-1.2) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.075 USER MOD Single : A 66 THR OG1 : rot 50:sc= 0.851 USER MOD Single : A 68 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.29) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.26) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0498 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 1.746 4.688 -9.890 1.00 3.30 N ATOM 49 CA THR A 4 2.143 4.804 -11.288 1.00 11.34 C ATOM 50 C THR A 4 1.230 3.980 -12.188 1.00 50.34 C ATOM 51 O THR A 4 1.154 2.758 -12.060 1.00 4.05 O ATOM 52 CB THR A 4 3.599 4.349 -11.498 1.00 4.32 C ATOM 53 OG1 THR A 4 4.067 3.652 -10.338 1.00 30.30 O ATOM 54 CG2 THR A 4 4.503 5.540 -11.778 1.00 43.33 C ATOM 0 HA THR A 4 2.058 5.857 -11.555 1.00 11.34 H new ATOM 0 HB THR A 4 3.627 3.681 -12.359 1.00 4.32 H new ATOM 0 HG1 THR A 4 3.387 3.695 -9.634 1.00 30.30 H new ATOM 0 HG21 THR A 4 5.526 5.194 -11.923 1.00 43.33 H new ATOM 0 HG22 THR A 4 4.162 6.052 -12.678 1.00 43.33 H new ATOM 0 HG23 THR A 4 4.469 6.229 -10.934 1.00 43.33 H new ATOM 62 N ILE A 5 0.539 4.656 -13.100 1.00 42.41 N ATOM 63 CA ILE A 5 -0.367 3.985 -14.023 1.00 52.34 C ATOM 64 C ILE A 5 0.404 3.258 -15.119 1.00 71.34 C ATOM 65 O ILE A 5 1.589 3.516 -15.336 1.00 73.42 O ATOM 66 CB ILE A 5 -1.346 4.980 -14.674 1.00 52.32 C ATOM 67 CG1 ILE A 5 -0.586 5.982 -15.546 1.00 25.32 C ATOM 68 CG2 ILE A 5 -2.153 5.705 -13.607 1.00 21.52 C ATOM 69 CD1 ILE A 5 -0.674 5.684 -17.026 1.00 61.41 C ATOM 0 H ILE A 5 0.590 5.668 -13.219 1.00 42.41 H new ATOM 0 HA ILE A 5 -0.933 3.260 -13.438 1.00 52.34 H new ATOM 0 HB ILE A 5 -2.036 4.424 -15.309 1.00 52.32 H new ATOM 0 HG12 ILE A 5 -0.978 6.982 -15.361 1.00 25.32 H new ATOM 0 HG13 ILE A 5 0.462 5.990 -15.247 1.00 25.32 H new ATOM 0 HG21 ILE A 5 -2.840 6.405 -14.083 1.00 21.52 H new ATOM 0 HG22 ILE A 5 -2.720 4.979 -13.024 1.00 21.52 H new ATOM 0 HG23 ILE A 5 -1.478 6.251 -12.949 1.00 21.52 H new ATOM 0 HD11 ILE A 5 -0.112 6.435 -17.582 1.00 61.41 H new ATOM 0 HD12 ILE A 5 -0.256 4.697 -17.224 1.00 61.41 H new ATOM 0 HD13 ILE A 5 -1.718 5.705 -17.340 1.00 61.41 H new ATOM 81 N LEU A 6 -0.276 2.348 -15.809 1.00 42.54 N ATOM 82 CA LEU A 6 0.344 1.584 -16.886 1.00 25.33 C ATOM 83 C LEU A 6 -0.480 1.678 -18.166 1.00 21.23 C ATOM 84 O LEU A 6 0.068 1.756 -19.265 1.00 13.25 O ATOM 85 CB LEU A 6 0.501 0.119 -16.473 1.00 11.12 C ATOM 86 CG LEU A 6 -0.778 -0.595 -16.035 1.00 33.11 C ATOM 87 CD1 LEU A 6 -1.427 -1.300 -17.216 1.00 53.31 C ATOM 88 CD2 LEU A 6 -0.481 -1.585 -14.919 1.00 23.54 C ATOM 0 H LEU A 6 -1.256 2.122 -15.642 1.00 42.54 H new ATOM 0 HA LEU A 6 1.329 2.009 -17.079 1.00 25.33 H new ATOM 0 HB2 LEU A 6 0.931 -0.430 -17.311 1.00 11.12 H new ATOM 0 HB3 LEU A 6 1.220 0.068 -15.656 1.00 11.12 H new ATOM 0 HG LEU A 6 -1.476 0.151 -15.655 1.00 33.11 H new ATOM 0 HD11 LEU A 6 -2.336 -1.803 -16.885 1.00 53.31 H new ATOM 0 HD12 LEU A 6 -1.676 -0.568 -17.984 1.00 53.31 H new ATOM 0 HD13 LEU A 6 -0.735 -2.035 -17.626 1.00 53.31 H new ATOM 0 HD21 LEU A 6 -1.403 -2.084 -14.620 1.00 23.54 H new ATOM 0 HD22 LEU A 6 0.235 -2.327 -15.272 1.00 23.54 H new ATOM 0 HD23 LEU A 6 -0.062 -1.054 -14.064 1.00 23.54 H new ATOM 100 N GLY A 7 -1.801 1.671 -18.015 1.00 1.43 N ATOM 101 CA GLY A 7 -2.680 1.759 -19.166 1.00 64.43 C ATOM 102 C GLY A 7 -3.383 3.098 -19.259 1.00 2.31 C ATOM 103 O GLY A 7 -3.763 3.679 -18.242 1.00 23.24 O ATOM 0 H GLY A 7 -2.278 1.606 -17.116 1.00 1.43 H new ATOM 0 HA2 GLY A 7 -2.101 1.592 -20.075 1.00 64.43 H new ATOM 0 HA3 GLY A 7 -3.424 0.965 -19.112 1.00 64.43 H new ATOM 107 N ILE A 8 -3.555 3.591 -20.481 1.00 32.02 N ATOM 108 CA ILE A 8 -4.217 4.871 -20.702 1.00 23.15 C ATOM 109 C ILE A 8 -5.331 4.743 -21.735 1.00 21.13 C ATOM 110 O ILE A 8 -5.211 3.990 -22.700 1.00 71.34 O ATOM 111 CB ILE A 8 -3.219 5.947 -21.170 1.00 31.15 C ATOM 112 CG1 ILE A 8 -3.946 7.268 -21.432 1.00 23.35 C ATOM 113 CG2 ILE A 8 -2.486 5.482 -22.419 1.00 54.22 C ATOM 114 CD1 ILE A 8 -3.031 8.378 -21.899 1.00 11.22 C ATOM 0 H ILE A 8 -3.245 3.124 -21.333 1.00 32.02 H new ATOM 0 HA ILE A 8 -4.645 5.174 -19.746 1.00 23.15 H new ATOM 0 HB ILE A 8 -2.484 6.109 -20.381 1.00 31.15 H new ATOM 0 HG12 ILE A 8 -4.719 7.105 -22.183 1.00 23.35 H new ATOM 0 HG13 ILE A 8 -4.450 7.584 -20.519 1.00 23.35 H new ATOM 0 HG21 ILE A 8 -1.784 6.253 -22.737 1.00 54.22 H new ATOM 0 HG22 ILE A 8 -1.941 4.564 -22.200 1.00 54.22 H new ATOM 0 HG23 ILE A 8 -3.206 5.296 -23.215 1.00 54.22 H new ATOM 0 HD11 ILE A 8 -3.614 9.284 -22.065 1.00 11.22 H new ATOM 0 HD12 ILE A 8 -2.273 8.568 -21.139 1.00 11.22 H new ATOM 0 HD13 ILE A 8 -2.546 8.083 -22.830 1.00 11.22 H new ATOM 126 N GLU A 9 -6.413 5.485 -21.525 1.00 14.42 N ATOM 127 CA GLU A 9 -7.549 5.455 -22.439 1.00 42.24 C ATOM 128 C GLU A 9 -8.037 6.868 -22.748 1.00 20.35 C ATOM 129 O GLU A 9 -8.332 7.646 -21.841 1.00 0.43 O ATOM 130 CB GLU A 9 -8.690 4.628 -21.844 1.00 21.12 C ATOM 131 CG GLU A 9 -9.449 3.808 -22.873 1.00 52.24 C ATOM 132 CD GLU A 9 -9.007 2.358 -22.906 1.00 43.12 C ATOM 133 OE1 GLU A 9 -8.849 1.761 -21.821 1.00 63.21 O ATOM 134 OE2 GLU A 9 -8.819 1.821 -24.018 1.00 22.11 O ATOM 0 H GLU A 9 -6.527 6.114 -20.730 1.00 14.42 H new ATOM 0 HA GLU A 9 -7.221 4.991 -23.369 1.00 42.24 H new ATOM 0 HB2 GLU A 9 -8.285 3.958 -21.086 1.00 21.12 H new ATOM 0 HB3 GLU A 9 -9.387 5.297 -21.339 1.00 21.12 H new ATOM 0 HG2 GLU A 9 -10.516 3.854 -22.653 1.00 52.24 H new ATOM 0 HG3 GLU A 9 -9.308 4.249 -23.860 1.00 52.24 H new ATOM 141 N VAL A 10 -8.119 7.192 -24.034 1.00 71.31 N ATOM 142 CA VAL A 10 -8.572 8.510 -24.463 1.00 64.53 C ATOM 143 C VAL A 10 -10.080 8.654 -24.297 1.00 72.41 C ATOM 144 O VAL A 10 -10.844 7.765 -24.673 1.00 72.24 O ATOM 145 CB VAL A 10 -8.200 8.779 -25.934 1.00 11.35 C ATOM 146 CG1 VAL A 10 -8.928 7.812 -26.854 1.00 62.25 C ATOM 147 CG2 VAL A 10 -8.513 10.221 -26.306 1.00 33.41 C ATOM 0 H VAL A 10 -7.878 6.560 -24.797 1.00 71.31 H new ATOM 0 HA VAL A 10 -8.069 9.240 -23.829 1.00 64.53 H new ATOM 0 HB VAL A 10 -7.128 8.620 -26.056 1.00 11.35 H new ATOM 0 HG11 VAL A 10 -8.653 8.017 -27.889 1.00 62.25 H new ATOM 0 HG12 VAL A 10 -8.650 6.789 -26.600 1.00 62.25 H new ATOM 0 HG13 VAL A 10 -10.004 7.936 -26.733 1.00 62.25 H new ATOM 0 HG21 VAL A 10 -8.244 10.394 -27.348 1.00 33.41 H new ATOM 0 HG22 VAL A 10 -9.578 10.409 -26.170 1.00 33.41 H new ATOM 0 HG23 VAL A 10 -7.941 10.894 -25.667 1.00 33.41 H new ATOM 157 N SER A 11 -10.503 9.780 -23.731 1.00 61.43 N ATOM 158 CA SER A 11 -11.921 10.039 -23.512 1.00 1.51 C ATOM 159 C SER A 11 -12.207 11.538 -23.525 1.00 1.03 C ATOM 160 O SER A 11 -13.164 12.003 -22.906 1.00 60.41 O ATOM 161 CB SER A 11 -12.372 9.434 -22.181 1.00 71.04 C ATOM 162 OG SER A 11 -13.755 9.653 -21.964 1.00 51.41 O ATOM 0 H SER A 11 -9.884 10.527 -23.416 1.00 61.43 H new ATOM 0 HA SER A 11 -12.480 9.572 -24.323 1.00 1.51 H new ATOM 0 HB2 SER A 11 -12.165 8.364 -22.176 1.00 71.04 H new ATOM 0 HB3 SER A 11 -11.799 9.874 -21.365 1.00 71.04 H new ATOM 0 HG SER A 11 -13.972 10.589 -22.155 1.00 51.41 H new ATOM 168 N GLN A 12 -11.370 12.288 -24.234 1.00 25.20 N ATOM 169 CA GLN A 12 -11.532 13.734 -24.327 1.00 65.10 C ATOM 170 C GLN A 12 -12.291 14.116 -25.593 1.00 41.22 C ATOM 171 O GLN A 12 -11.976 13.641 -26.684 1.00 11.13 O ATOM 172 CB GLN A 12 -10.166 14.423 -24.309 1.00 52.52 C ATOM 173 CG GLN A 12 -9.180 13.847 -25.312 1.00 53.05 C ATOM 174 CD GLN A 12 -8.145 12.949 -24.664 1.00 12.22 C ATOM 175 OE1 GLN A 12 -8.485 11.970 -23.999 1.00 71.02 O ATOM 176 NE2 GLN A 12 -6.873 13.279 -24.854 1.00 20.31 N ATOM 0 H GLN A 12 -10.573 11.919 -24.752 1.00 25.20 H new ATOM 0 HA GLN A 12 -12.110 14.066 -23.465 1.00 65.10 H new ATOM 0 HB2 GLN A 12 -10.301 15.485 -24.514 1.00 52.52 H new ATOM 0 HB3 GLN A 12 -9.742 14.343 -23.308 1.00 52.52 H new ATOM 0 HG2 GLN A 12 -9.725 13.281 -26.067 1.00 53.05 H new ATOM 0 HG3 GLN A 12 -8.675 14.663 -25.829 1.00 53.05 H new ATOM 0 HE21 GLN A 12 -6.637 14.099 -25.413 1.00 20.31 H new ATOM 0 HE22 GLN A 12 -6.132 12.712 -24.441 1.00 20.31 H new ATOM 185 N GLU A 13 -13.292 14.977 -25.440 1.00 13.13 N ATOM 186 CA GLU A 13 -14.097 15.422 -26.572 1.00 21.54 C ATOM 187 C GLU A 13 -13.755 16.860 -26.951 1.00 32.42 C ATOM 188 O GLU A 13 -13.273 17.645 -26.135 1.00 44.41 O ATOM 189 CB GLU A 13 -15.587 15.310 -26.242 1.00 21.22 C ATOM 190 CG GLU A 13 -15.955 15.889 -24.886 1.00 54.34 C ATOM 191 CD GLU A 13 -16.046 14.831 -23.805 1.00 32.35 C ATOM 192 OE1 GLU A 13 -15.240 13.877 -23.839 1.00 51.41 O ATOM 193 OE2 GLU A 13 -16.923 14.955 -22.924 1.00 42.11 O ATOM 0 H GLU A 13 -13.565 15.380 -24.544 1.00 13.13 H new ATOM 0 HA GLU A 13 -13.871 14.777 -27.421 1.00 21.54 H new ATOM 0 HB2 GLU A 13 -16.161 15.822 -27.014 1.00 21.22 H new ATOM 0 HB3 GLU A 13 -15.879 14.260 -26.271 1.00 21.22 H new ATOM 0 HG2 GLU A 13 -15.212 16.633 -24.599 1.00 54.34 H new ATOM 0 HG3 GLU A 13 -16.911 16.407 -24.964 1.00 54.34 H new ATOM 200 N PRO A 14 -14.010 17.213 -28.219 1.00 53.22 N ATOM 201 CA PRO A 14 -13.738 18.557 -28.736 1.00 42.54 C ATOM 202 C PRO A 14 -14.679 19.605 -28.152 1.00 2.31 C ATOM 203 O PRO A 14 -15.896 19.419 -28.131 1.00 3.54 O ATOM 204 CB PRO A 14 -13.969 18.412 -30.243 1.00 32.25 C ATOM 205 CG PRO A 14 -14.916 17.269 -30.371 1.00 70.15 C ATOM 206 CD PRO A 14 -14.585 16.328 -29.246 1.00 51.01 C ATOM 0 HA PRO A 14 -12.736 18.898 -28.475 1.00 42.54 H new ATOM 0 HB2 PRO A 14 -14.388 19.323 -30.669 1.00 32.25 H new ATOM 0 HB3 PRO A 14 -13.035 18.214 -30.770 1.00 32.25 H new ATOM 0 HG2 PRO A 14 -15.949 17.609 -30.304 1.00 70.15 H new ATOM 0 HG3 PRO A 14 -14.805 16.777 -31.337 1.00 70.15 H new ATOM 0 HD2 PRO A 14 -15.472 15.811 -28.880 1.00 51.01 H new ATOM 0 HD3 PRO A 14 -13.876 15.561 -29.559 1.00 51.01 H new ATOM 214 N LYS A 15 -14.108 20.708 -27.678 1.00 71.22 N ATOM 215 CA LYS A 15 -14.895 21.787 -27.094 1.00 55.34 C ATOM 216 C LYS A 15 -14.026 23.012 -26.829 1.00 15.50 C ATOM 217 O LYS A 15 -14.019 23.963 -27.612 1.00 64.51 O ATOM 218 CB LYS A 15 -15.551 21.322 -25.792 1.00 63.32 C ATOM 219 CG LYS A 15 -16.254 22.434 -25.033 1.00 44.05 C ATOM 220 CD LYS A 15 -17.297 23.124 -25.896 1.00 13.03 C ATOM 221 CE LYS A 15 -18.492 23.575 -25.070 1.00 55.22 C ATOM 222 NZ LYS A 15 -19.714 23.739 -25.906 1.00 41.32 N ATOM 0 H LYS A 15 -13.102 20.878 -27.687 1.00 71.22 H new ATOM 0 HA LYS A 15 -15.673 22.062 -27.806 1.00 55.34 H new ATOM 0 HB2 LYS A 15 -16.272 20.537 -26.019 1.00 63.32 H new ATOM 0 HB3 LYS A 15 -14.790 20.880 -25.149 1.00 63.32 H new ATOM 0 HG2 LYS A 15 -16.731 22.024 -24.143 1.00 44.05 H new ATOM 0 HG3 LYS A 15 -15.520 23.165 -24.693 1.00 44.05 H new ATOM 0 HD2 LYS A 15 -16.849 23.986 -26.391 1.00 13.03 H new ATOM 0 HD3 LYS A 15 -17.631 22.444 -26.680 1.00 13.03 H new ATOM 0 HE2 LYS A 15 -18.685 22.846 -24.283 1.00 55.22 H new ATOM 0 HE3 LYS A 15 -18.258 24.520 -24.579 1.00 55.22 H new ATOM 0 HZ1 LYS A 15 -20.506 24.047 -25.306 1.00 41.32 H new ATOM 0 HZ2 LYS A 15 -19.538 24.453 -26.641 1.00 41.32 H new ATOM 0 HZ3 LYS A 15 -19.952 22.831 -26.355 1.00 41.32 H new ATOM 236 N LYS A 16 -13.294 22.984 -25.721 1.00 33.14 N ATOM 237 CA LYS A 16 -12.419 24.090 -25.353 1.00 10.45 C ATOM 238 C LYS A 16 -13.134 25.428 -25.516 1.00 73.35 C ATOM 239 O LYS A 16 -12.741 26.256 -26.338 1.00 74.24 O ATOM 240 CB LYS A 16 -11.150 24.070 -26.208 1.00 12.41 C ATOM 241 CG LYS A 16 -9.940 23.503 -25.487 1.00 64.01 C ATOM 242 CD LYS A 16 -9.156 24.591 -24.772 1.00 20.31 C ATOM 243 CE LYS A 16 -10.022 25.330 -23.764 1.00 1.25 C ATOM 244 NZ LYS A 16 -9.203 26.120 -22.803 1.00 21.24 N ATOM 0 H LYS A 16 -13.289 22.206 -25.061 1.00 33.14 H new ATOM 0 HA LYS A 16 -12.145 23.970 -24.305 1.00 10.45 H new ATOM 0 HB2 LYS A 16 -11.336 23.481 -27.106 1.00 12.41 H new ATOM 0 HB3 LYS A 16 -10.925 25.086 -26.534 1.00 12.41 H new ATOM 0 HG2 LYS A 16 -10.264 22.753 -24.766 1.00 64.01 H new ATOM 0 HG3 LYS A 16 -9.292 22.998 -26.203 1.00 64.01 H new ATOM 0 HD2 LYS A 16 -8.300 24.149 -24.263 1.00 20.31 H new ATOM 0 HD3 LYS A 16 -8.763 25.298 -25.503 1.00 20.31 H new ATOM 0 HE2 LYS A 16 -10.706 25.995 -24.291 1.00 1.25 H new ATOM 0 HE3 LYS A 16 -10.634 24.613 -23.216 1.00 1.25 H new ATOM 0 HZ1 LYS A 16 -9.747 26.946 -22.480 1.00 21.24 H new ATOM 0 HZ2 LYS A 16 -8.958 25.526 -21.986 1.00 21.24 H new ATOM 0 HZ3 LYS A 16 -8.332 26.441 -23.271 1.00 21.24 H new ATOM 258 N ASP A 17 -14.184 25.632 -24.729 1.00 12.23 N ATOM 259 CA ASP A 17 -14.953 26.870 -24.785 1.00 4.40 C ATOM 260 C ASP A 17 -15.079 27.495 -23.399 1.00 34.31 C ATOM 261 O ASP A 17 -15.601 26.874 -22.473 1.00 33.33 O ATOM 262 CB ASP A 17 -16.342 26.608 -25.369 1.00 24.44 C ATOM 263 CG ASP A 17 -17.029 27.880 -25.822 1.00 54.30 C ATOM 264 OD1 ASP A 17 -17.416 28.688 -24.952 1.00 13.42 O ATOM 265 OD2 ASP A 17 -17.180 28.069 -27.047 1.00 71.41 O ATOM 0 H ASP A 17 -14.523 24.956 -24.044 1.00 12.23 H new ATOM 0 HA ASP A 17 -14.422 27.569 -25.432 1.00 4.40 H new ATOM 0 HB2 ASP A 17 -16.255 25.925 -26.214 1.00 24.44 H new ATOM 0 HB3 ASP A 17 -16.960 26.112 -24.621 1.00 24.44 H new ATOM 270 N TYR A 18 -14.598 28.725 -23.264 1.00 1.33 N ATOM 271 CA TYR A 18 -14.654 29.432 -21.990 1.00 11.42 C ATOM 272 C TYR A 18 -14.838 30.931 -22.206 1.00 53.34 C ATOM 273 O TYR A 18 -14.453 31.473 -23.244 1.00 33.14 O ATOM 274 CB TYR A 18 -13.380 29.175 -21.183 1.00 52.12 C ATOM 275 CG TYR A 18 -13.643 28.728 -19.763 1.00 2.12 C ATOM 276 CD1 TYR A 18 -14.071 29.631 -18.797 1.00 45.55 C ATOM 277 CD2 TYR A 18 -13.462 27.403 -19.386 1.00 15.23 C ATOM 278 CE1 TYR A 18 -14.311 29.228 -17.498 1.00 51.03 C ATOM 279 CE2 TYR A 18 -13.702 26.990 -18.089 1.00 50.54 C ATOM 280 CZ TYR A 18 -14.126 27.907 -17.149 1.00 61.53 C ATOM 281 OH TYR A 18 -14.364 27.500 -15.857 1.00 33.35 O ATOM 0 H TYR A 18 -14.165 29.254 -24.021 1.00 1.33 H new ATOM 0 HA TYR A 18 -15.512 29.055 -21.433 1.00 11.42 H new ATOM 0 HB2 TYR A 18 -12.786 28.415 -21.690 1.00 52.12 H new ATOM 0 HB3 TYR A 18 -12.782 30.086 -21.163 1.00 52.12 H new ATOM 0 HD1 TYR A 18 -14.219 30.666 -19.067 1.00 45.55 H new ATOM 0 HD2 TYR A 18 -13.128 26.683 -20.119 1.00 15.23 H new ATOM 0 HE1 TYR A 18 -14.642 29.944 -16.760 1.00 51.03 H new ATOM 0 HE2 TYR A 18 -13.559 25.956 -17.813 1.00 50.54 H new ATOM 0 HH TYR A 18 -14.187 26.539 -15.779 1.00 33.35 H new ATOM 291 N LEU A 19 -15.429 31.596 -21.220 1.00 10.51 N ATOM 292 CA LEU A 19 -15.665 33.034 -21.300 1.00 63.11 C ATOM 293 C LEU A 19 -14.440 33.813 -20.833 1.00 44.53 C ATOM 294 O LEU A 19 -13.687 33.352 -19.975 1.00 40.22 O ATOM 295 CB LEU A 19 -16.881 33.419 -20.456 1.00 4.23 C ATOM 296 CG LEU A 19 -16.737 33.227 -18.946 1.00 11.35 C ATOM 297 CD1 LEU A 19 -16.212 34.497 -18.294 1.00 23.13 C ATOM 298 CD2 LEU A 19 -18.068 32.821 -18.330 1.00 55.45 C ATOM 0 H LEU A 19 -15.754 31.163 -20.355 1.00 10.51 H new ATOM 0 HA LEU A 19 -15.859 33.288 -22.342 1.00 63.11 H new ATOM 0 HB2 LEU A 19 -17.115 34.466 -20.648 1.00 4.23 H new ATOM 0 HB3 LEU A 19 -17.735 32.834 -20.797 1.00 4.23 H new ATOM 0 HG LEU A 19 -16.018 32.427 -18.768 1.00 11.35 H new ATOM 0 HD11 LEU A 19 -16.116 34.341 -17.219 1.00 23.13 H new ATOM 0 HD12 LEU A 19 -15.237 34.745 -18.713 1.00 23.13 H new ATOM 0 HD13 LEU A 19 -16.906 35.316 -18.481 1.00 23.13 H new ATOM 0 HD21 LEU A 19 -17.946 32.689 -17.255 1.00 55.45 H new ATOM 0 HD22 LEU A 19 -18.808 33.598 -18.518 1.00 55.45 H new ATOM 0 HD23 LEU A 19 -18.404 31.884 -18.775 1.00 55.45 H new ATOM 310 N VAL A 20 -14.247 34.999 -21.403 1.00 5.02 N ATOM 311 CA VAL A 20 -13.115 35.845 -21.043 1.00 23.22 C ATOM 312 C VAL A 20 -13.100 36.136 -19.546 1.00 72.14 C ATOM 313 O VAL A 20 -14.134 36.438 -18.952 1.00 40.41 O ATOM 314 CB VAL A 20 -13.143 37.178 -21.814 1.00 22.03 C ATOM 315 CG1 VAL A 20 -13.178 36.927 -23.314 1.00 12.04 C ATOM 316 CG2 VAL A 20 -14.332 38.020 -21.378 1.00 11.25 C ATOM 0 H VAL A 20 -14.860 35.395 -22.116 1.00 5.02 H new ATOM 0 HA VAL A 20 -12.212 35.297 -21.312 1.00 23.22 H new ATOM 0 HB VAL A 20 -12.232 37.730 -21.584 1.00 22.03 H new ATOM 0 HG11 VAL A 20 -13.197 37.880 -23.842 1.00 12.04 H new ATOM 0 HG12 VAL A 20 -12.291 36.366 -23.610 1.00 12.04 H new ATOM 0 HG13 VAL A 20 -14.070 36.354 -23.566 1.00 12.04 H new ATOM 0 HG21 VAL A 20 -14.336 38.958 -21.933 1.00 11.25 H new ATOM 0 HG22 VAL A 20 -15.255 37.476 -21.577 1.00 11.25 H new ATOM 0 HG23 VAL A 20 -14.258 38.230 -20.311 1.00 11.25 H new ATOM 326 N GLY A 21 -11.919 36.043 -18.942 1.00 74.42 N ATOM 327 CA GLY A 21 -11.792 36.299 -17.520 1.00 3.24 C ATOM 328 C GLY A 21 -11.435 35.052 -16.735 1.00 53.11 C ATOM 329 O GLY A 21 -11.304 35.096 -15.512 1.00 1.52 O ATOM 0 H GLY A 21 -11.049 35.795 -19.412 1.00 74.42 H new ATOM 0 HA2 GLY A 21 -11.027 37.058 -17.358 1.00 3.24 H new ATOM 0 HA3 GLY A 21 -12.730 36.706 -17.142 1.00 3.24 H new ATOM 333 N ASP A 22 -11.280 33.936 -17.439 1.00 52.53 N ATOM 334 CA ASP A 22 -10.938 32.671 -16.801 1.00 64.21 C ATOM 335 C ASP A 22 -9.608 32.140 -17.327 1.00 25.25 C ATOM 336 O ASP A 22 -9.057 31.178 -16.791 1.00 63.11 O ATOM 337 CB ASP A 22 -12.042 31.640 -17.039 1.00 32.15 C ATOM 338 CG ASP A 22 -12.792 31.292 -15.768 1.00 20.32 C ATOM 339 OD1 ASP A 22 -12.258 30.502 -14.961 1.00 30.31 O ATOM 340 OD2 ASP A 22 -13.912 31.810 -15.580 1.00 34.34 O ATOM 0 H ASP A 22 -11.386 33.882 -18.452 1.00 52.53 H new ATOM 0 HA ASP A 22 -10.841 32.847 -15.730 1.00 64.21 H new ATOM 0 HB2 ASP A 22 -12.744 32.027 -17.777 1.00 32.15 H new ATOM 0 HB3 ASP A 22 -11.605 30.734 -17.459 1.00 32.15 H new ATOM 345 N SER A 23 -9.098 32.772 -18.378 1.00 44.35 N ATOM 346 CA SER A 23 -7.835 32.361 -18.980 1.00 24.53 C ATOM 347 C SER A 23 -7.939 30.949 -19.550 1.00 1.21 C ATOM 348 O SER A 23 -7.003 30.155 -19.448 1.00 31.23 O ATOM 349 CB SER A 23 -6.709 32.423 -17.946 1.00 2.03 C ATOM 350 OG SER A 23 -7.052 33.278 -16.869 1.00 32.10 O ATOM 0 H SER A 23 -9.540 33.572 -18.831 1.00 44.35 H new ATOM 0 HA SER A 23 -7.609 33.048 -19.795 1.00 24.53 H new ATOM 0 HB2 SER A 23 -6.503 31.422 -17.568 1.00 2.03 H new ATOM 0 HB3 SER A 23 -5.795 32.779 -18.420 1.00 2.03 H new ATOM 0 HG SER A 23 -6.317 33.299 -16.221 1.00 32.10 H new ATOM 356 N LEU A 24 -9.084 30.644 -20.151 1.00 2.04 N ATOM 357 CA LEU A 24 -9.313 29.328 -20.738 1.00 44.51 C ATOM 358 C LEU A 24 -9.289 28.242 -19.667 1.00 40.44 C ATOM 359 O LEU A 24 -8.645 28.394 -18.629 1.00 52.30 O ATOM 360 CB LEU A 24 -8.256 29.033 -21.804 1.00 3.23 C ATOM 361 CG LEU A 24 -8.682 29.264 -23.254 1.00 21.21 C ATOM 362 CD1 LEU A 24 -9.071 30.718 -23.471 1.00 73.21 C ATOM 363 CD2 LEU A 24 -7.567 28.860 -24.208 1.00 54.01 C ATOM 0 H LEU A 24 -9.868 31.290 -20.245 1.00 2.04 H new ATOM 0 HA LEU A 24 -10.299 29.331 -21.203 1.00 44.51 H new ATOM 0 HB2 LEU A 24 -7.381 29.651 -21.601 1.00 3.23 H new ATOM 0 HB3 LEU A 24 -7.944 27.994 -21.699 1.00 3.23 H new ATOM 0 HG LEU A 24 -9.553 28.642 -23.460 1.00 21.21 H new ATOM 0 HD11 LEU A 24 -9.371 30.863 -24.509 1.00 73.21 H new ATOM 0 HD12 LEU A 24 -9.902 30.974 -22.814 1.00 73.21 H new ATOM 0 HD13 LEU A 24 -8.219 31.360 -23.246 1.00 73.21 H new ATOM 0 HD21 LEU A 24 -7.888 29.031 -25.236 1.00 54.01 H new ATOM 0 HD22 LEU A 24 -6.678 29.456 -24.001 1.00 54.01 H new ATOM 0 HD23 LEU A 24 -7.336 27.804 -24.071 1.00 54.01 H new ATOM 375 N ASP A 25 -9.993 27.146 -19.928 1.00 40.52 N ATOM 376 CA ASP A 25 -10.050 26.033 -18.988 1.00 73.24 C ATOM 377 C ASP A 25 -10.933 24.911 -19.528 1.00 4.40 C ATOM 378 O ASP A 25 -12.122 24.838 -19.216 1.00 21.12 O ATOM 379 CB ASP A 25 -10.579 26.507 -17.634 1.00 4.42 C ATOM 380 CG ASP A 25 -9.481 26.629 -16.595 1.00 33.22 C ATOM 381 OD1 ASP A 25 -8.697 25.668 -16.445 1.00 54.54 O ATOM 382 OD2 ASP A 25 -9.407 27.684 -15.930 1.00 70.22 O ATOM 0 H ASP A 25 -10.532 27.005 -20.782 1.00 40.52 H new ATOM 0 HA ASP A 25 -9.039 25.647 -18.859 1.00 73.24 H new ATOM 0 HB2 ASP A 25 -11.069 27.473 -17.756 1.00 4.42 H new ATOM 0 HB3 ASP A 25 -11.336 25.809 -17.278 1.00 4.42 H new ATOM 387 N LEU A 26 -10.343 24.041 -20.340 1.00 33.43 N ATOM 388 CA LEU A 26 -11.076 22.923 -20.924 1.00 61.42 C ATOM 389 C LEU A 26 -11.591 21.982 -19.839 1.00 52.52 C ATOM 390 O LEU A 26 -10.855 21.610 -18.926 1.00 11.14 O ATOM 391 CB LEU A 26 -10.181 22.154 -21.898 1.00 2.01 C ATOM 392 CG LEU A 26 -10.696 20.786 -22.347 1.00 13.23 C ATOM 393 CD1 LEU A 26 -11.922 20.942 -23.233 1.00 14.33 C ATOM 394 CD2 LEU A 26 -9.604 20.017 -23.075 1.00 42.34 C ATOM 0 H LEU A 26 -9.360 24.088 -20.609 1.00 33.43 H new ATOM 0 HA LEU A 26 -11.932 23.326 -21.466 1.00 61.42 H new ATOM 0 HB2 LEU A 26 -10.028 22.771 -22.784 1.00 2.01 H new ATOM 0 HB3 LEU A 26 -9.205 22.017 -21.432 1.00 2.01 H new ATOM 0 HG LEU A 26 -10.983 20.219 -21.461 1.00 13.23 H new ATOM 0 HD11 LEU A 26 -12.275 19.958 -23.543 1.00 14.33 H new ATOM 0 HD12 LEU A 26 -12.710 21.451 -22.678 1.00 14.33 H new ATOM 0 HD13 LEU A 26 -11.662 21.528 -24.114 1.00 14.33 H new ATOM 0 HD21 LEU A 26 -9.989 19.046 -23.387 1.00 42.34 H new ATOM 0 HD22 LEU A 26 -9.286 20.580 -23.952 1.00 42.34 H new ATOM 0 HD23 LEU A 26 -8.754 19.873 -22.408 1.00 42.34 H new ATOM 406 N SER A 27 -12.860 21.601 -19.948 1.00 22.22 N ATOM 407 CA SER A 27 -13.474 20.705 -18.975 1.00 54.00 C ATOM 408 C SER A 27 -14.169 19.539 -19.673 1.00 5.22 C ATOM 409 O SER A 27 -14.773 18.686 -19.025 1.00 21.34 O ATOM 410 CB SER A 27 -14.480 21.469 -18.111 1.00 22.41 C ATOM 411 OG SER A 27 -14.159 22.848 -18.053 1.00 63.41 O ATOM 0 H SER A 27 -13.482 21.898 -20.699 1.00 22.22 H new ATOM 0 HA SER A 27 -12.686 20.306 -18.337 1.00 54.00 H new ATOM 0 HB2 SER A 27 -15.483 21.343 -18.518 1.00 22.41 H new ATOM 0 HB3 SER A 27 -14.490 21.052 -17.104 1.00 22.41 H new ATOM 0 HG SER A 27 -14.817 23.314 -17.497 1.00 63.41 H new ATOM 417 N GLU A 28 -14.076 19.512 -20.999 1.00 33.43 N ATOM 418 CA GLU A 28 -14.696 18.451 -21.785 1.00 11.41 C ATOM 419 C GLU A 28 -13.649 17.457 -22.279 1.00 10.14 C ATOM 420 O GLU A 28 -13.977 16.341 -22.678 1.00 21.44 O ATOM 421 CB GLU A 28 -15.453 19.045 -22.975 1.00 71.40 C ATOM 422 CG GLU A 28 -16.591 19.967 -22.573 1.00 55.45 C ATOM 423 CD GLU A 28 -17.473 19.371 -21.493 1.00 64.01 C ATOM 424 OE1 GLU A 28 -17.788 18.166 -21.584 1.00 54.02 O ATOM 425 OE2 GLU A 28 -17.847 20.108 -20.557 1.00 45.34 O ATOM 0 H GLU A 28 -13.578 20.211 -21.551 1.00 33.43 H new ATOM 0 HA GLU A 28 -15.400 17.921 -21.143 1.00 11.41 H new ATOM 0 HB2 GLU A 28 -14.753 19.598 -23.601 1.00 71.40 H new ATOM 0 HB3 GLU A 28 -15.852 18.233 -23.583 1.00 71.40 H new ATOM 0 HG2 GLU A 28 -16.180 20.913 -22.220 1.00 55.45 H new ATOM 0 HG3 GLU A 28 -17.198 20.191 -23.450 1.00 55.45 H new ATOM 432 N GLY A 29 -12.386 17.873 -22.249 1.00 32.43 N ATOM 433 CA GLY A 29 -11.310 17.008 -22.696 1.00 71.11 C ATOM 434 C GLY A 29 -10.615 16.306 -21.547 1.00 24.33 C ATOM 435 O GLY A 29 -9.524 16.704 -21.136 1.00 73.50 O ATOM 0 H GLY A 29 -12.089 18.793 -21.923 1.00 32.43 H new ATOM 0 HA2 GLY A 29 -11.709 16.263 -23.385 1.00 71.11 H new ATOM 0 HA3 GLY A 29 -10.581 17.598 -23.252 1.00 71.11 H new ATOM 439 N ARG A 30 -11.247 15.259 -21.025 1.00 43.51 N ATOM 440 CA ARG A 30 -10.683 14.502 -19.914 1.00 0.40 C ATOM 441 C ARG A 30 -10.268 13.104 -20.364 1.00 13.44 C ATOM 442 O ARG A 30 -10.811 12.565 -21.328 1.00 21.40 O ATOM 443 CB ARG A 30 -11.695 14.403 -18.771 1.00 70.02 C ATOM 444 CG ARG A 30 -12.867 13.484 -19.074 1.00 54.21 C ATOM 445 CD ARG A 30 -14.191 14.230 -19.006 1.00 72.44 C ATOM 446 NE ARG A 30 -15.332 13.336 -19.184 1.00 73.33 N ATOM 447 CZ ARG A 30 -15.731 12.462 -18.267 1.00 35.11 C ATOM 448 NH1 ARG A 30 -15.085 12.366 -17.113 1.00 75.50 N ATOM 449 NH2 ARG A 30 -16.779 11.683 -18.503 1.00 33.45 N ATOM 0 H ARG A 30 -12.150 14.916 -21.354 1.00 43.51 H new ATOM 0 HA ARG A 30 -9.797 15.029 -19.560 1.00 0.40 H new ATOM 0 HB2 ARG A 30 -11.186 14.046 -17.876 1.00 70.02 H new ATOM 0 HB3 ARG A 30 -12.074 15.400 -18.545 1.00 70.02 H new ATOM 0 HG2 ARG A 30 -12.743 13.049 -20.066 1.00 54.21 H new ATOM 0 HG3 ARG A 30 -12.876 12.658 -18.363 1.00 54.21 H new ATOM 0 HD2 ARG A 30 -14.273 14.736 -18.044 1.00 72.44 H new ATOM 0 HD3 ARG A 30 -14.212 15.002 -19.775 1.00 72.44 H new ATOM 0 HE ARG A 30 -15.851 13.386 -20.061 1.00 73.33 H new ATOM 0 HH11 ARG A 30 -14.280 12.964 -16.928 1.00 75.50 H new ATOM 0 HH12 ARG A 30 -15.393 11.694 -16.410 1.00 75.50 H new ATOM 0 HH21 ARG A 30 -17.279 11.755 -19.389 1.00 33.45 H new ATOM 0 HH22 ARG A 30 -17.085 11.012 -17.798 1.00 33.45 H new ATOM 463 N PHE A 31 -9.303 12.524 -19.659 1.00 30.24 N ATOM 464 CA PHE A 31 -8.814 11.189 -19.986 1.00 13.42 C ATOM 465 C PHE A 31 -8.949 10.252 -18.789 1.00 55.23 C ATOM 466 O PHE A 31 -8.859 10.680 -17.639 1.00 21.10 O ATOM 467 CB PHE A 31 -7.353 11.254 -20.435 1.00 1.34 C ATOM 468 CG PHE A 31 -6.395 11.547 -19.316 1.00 24.34 C ATOM 469 CD1 PHE A 31 -6.315 12.817 -18.768 1.00 32.12 C ATOM 470 CD2 PHE A 31 -5.573 10.551 -18.812 1.00 3.41 C ATOM 471 CE1 PHE A 31 -5.435 13.089 -17.738 1.00 3.32 C ATOM 472 CE2 PHE A 31 -4.691 10.818 -17.782 1.00 23.33 C ATOM 473 CZ PHE A 31 -4.621 12.088 -17.245 1.00 3.51 C ATOM 0 H PHE A 31 -8.844 12.957 -18.858 1.00 30.24 H new ATOM 0 HA PHE A 31 -9.421 10.797 -20.802 1.00 13.42 H new ATOM 0 HB2 PHE A 31 -7.081 10.305 -20.897 1.00 1.34 H new ATOM 0 HB3 PHE A 31 -7.250 12.022 -21.201 1.00 1.34 H new ATOM 0 HD1 PHE A 31 -6.948 13.604 -19.151 1.00 32.12 H new ATOM 0 HD2 PHE A 31 -5.622 9.556 -19.229 1.00 3.41 H new ATOM 0 HE1 PHE A 31 -5.384 14.083 -17.319 1.00 3.32 H new ATOM 0 HE2 PHE A 31 -4.057 10.033 -17.397 1.00 23.33 H new ATOM 0 HZ PHE A 31 -3.931 12.298 -16.441 1.00 3.51 H new ATOM 483 N ALA A 32 -9.167 8.972 -19.070 1.00 74.40 N ATOM 484 CA ALA A 32 -9.314 7.973 -18.018 1.00 41.13 C ATOM 485 C ALA A 32 -8.094 7.061 -17.954 1.00 22.51 C ATOM 486 O ALA A 32 -7.773 6.367 -18.919 1.00 72.11 O ATOM 487 CB ALA A 32 -10.577 7.154 -18.240 1.00 42.11 C ATOM 0 H ALA A 32 -9.246 8.602 -20.017 1.00 74.40 H new ATOM 0 HA ALA A 32 -9.396 8.495 -17.064 1.00 41.13 H new ATOM 0 HB1 ALA A 32 -10.674 6.412 -17.447 1.00 42.11 H new ATOM 0 HB2 ALA A 32 -11.445 7.813 -18.228 1.00 42.11 H new ATOM 0 HB3 ALA A 32 -10.518 6.649 -19.204 1.00 42.11 H new ATOM 493 N VAL A 33 -7.416 7.066 -16.810 1.00 41.25 N ATOM 494 CA VAL A 33 -6.231 6.238 -16.620 1.00 42.52 C ATOM 495 C VAL A 33 -6.507 5.098 -15.647 1.00 14.55 C ATOM 496 O VAL A 33 -7.191 5.281 -14.640 1.00 31.43 O ATOM 497 CB VAL A 33 -5.044 7.069 -16.097 1.00 40.21 C ATOM 498 CG1 VAL A 33 -5.238 7.411 -14.628 1.00 2.32 C ATOM 499 CG2 VAL A 33 -3.736 6.322 -16.311 1.00 51.52 C ATOM 0 H VAL A 33 -7.667 7.634 -16.001 1.00 41.25 H new ATOM 0 HA VAL A 33 -5.974 5.825 -17.595 1.00 42.52 H new ATOM 0 HB VAL A 33 -5.000 8.002 -16.659 1.00 40.21 H new ATOM 0 HG11 VAL A 33 -4.390 7.998 -14.276 1.00 2.32 H new ATOM 0 HG12 VAL A 33 -6.154 7.989 -14.507 1.00 2.32 H new ATOM 0 HG13 VAL A 33 -5.309 6.492 -14.047 1.00 2.32 H new ATOM 0 HG21 VAL A 33 -2.908 6.923 -15.936 1.00 51.52 H new ATOM 0 HG22 VAL A 33 -3.767 5.373 -15.776 1.00 51.52 H new ATOM 0 HG23 VAL A 33 -3.595 6.134 -17.375 1.00 51.52 H new ATOM 509 N ALA A 34 -5.971 3.922 -15.954 1.00 3.14 N ATOM 510 CA ALA A 34 -6.157 2.752 -15.104 1.00 53.23 C ATOM 511 C ALA A 34 -4.899 2.455 -14.295 1.00 73.34 C ATOM 512 O ALA A 34 -3.787 2.491 -14.823 1.00 34.41 O ATOM 513 CB ALA A 34 -6.544 1.545 -15.946 1.00 44.11 C ATOM 0 H ALA A 34 -5.404 3.754 -16.785 1.00 3.14 H new ATOM 0 HA ALA A 34 -6.964 2.967 -14.404 1.00 53.23 H new ATOM 0 HB1 ALA A 34 -6.680 0.678 -15.299 1.00 44.11 H new ATOM 0 HB2 ALA A 34 -7.475 1.753 -16.474 1.00 44.11 H new ATOM 0 HB3 ALA A 34 -5.755 1.338 -16.669 1.00 44.11 H new ATOM 519 N TYR A 35 -5.082 2.162 -13.013 1.00 11.03 N ATOM 520 CA TYR A 35 -3.961 1.861 -12.130 1.00 50.51 C ATOM 521 C TYR A 35 -3.751 0.355 -12.010 1.00 11.23 C ATOM 522 O TYR A 35 -4.706 -0.421 -12.043 1.00 12.30 O ATOM 523 CB TYR A 35 -4.198 2.467 -10.746 1.00 33.25 C ATOM 524 CG TYR A 35 -2.993 2.388 -9.836 1.00 11.52 C ATOM 525 CD1 TYR A 35 -1.710 2.589 -10.331 1.00 54.11 C ATOM 526 CD2 TYR A 35 -3.137 2.113 -8.482 1.00 23.03 C ATOM 527 CE1 TYR A 35 -0.606 2.518 -9.504 1.00 31.21 C ATOM 528 CE2 TYR A 35 -2.038 2.041 -7.647 1.00 14.30 C ATOM 529 CZ TYR A 35 -0.775 2.244 -8.163 1.00 13.23 C ATOM 530 OH TYR A 35 0.321 2.172 -7.335 1.00 4.23 O ATOM 0 H TYR A 35 -5.996 2.126 -12.561 1.00 11.03 H new ATOM 0 HA TYR A 35 -3.062 2.301 -12.562 1.00 50.51 H new ATOM 0 HB2 TYR A 35 -4.488 3.511 -10.861 1.00 33.25 H new ATOM 0 HB3 TYR A 35 -5.035 1.954 -10.272 1.00 33.25 H new ATOM 0 HD1 TYR A 35 -1.574 2.804 -11.380 1.00 54.11 H new ATOM 0 HD2 TYR A 35 -4.124 1.953 -8.075 1.00 23.03 H new ATOM 0 HE1 TYR A 35 0.384 2.676 -9.905 1.00 31.21 H new ATOM 0 HE2 TYR A 35 -2.167 1.827 -6.596 1.00 14.30 H new ATOM 0 HH TYR A 35 0.028 1.972 -6.421 1.00 4.23 H new ATOM 540 N SER A 36 -2.493 -0.051 -11.869 1.00 73.00 N ATOM 541 CA SER A 36 -2.156 -1.464 -11.747 1.00 24.34 C ATOM 542 C SER A 36 -2.818 -2.076 -10.516 1.00 61.51 C ATOM 543 O SER A 36 -2.945 -3.295 -10.408 1.00 22.30 O ATOM 544 CB SER A 36 -0.638 -1.643 -11.665 1.00 13.51 C ATOM 545 OG SER A 36 -0.216 -1.809 -10.323 1.00 21.34 O ATOM 0 H SER A 36 -1.691 0.578 -11.836 1.00 73.00 H new ATOM 0 HA SER A 36 -2.529 -1.979 -12.633 1.00 24.34 H new ATOM 0 HB2 SER A 36 -0.339 -2.510 -12.254 1.00 13.51 H new ATOM 0 HB3 SER A 36 -0.142 -0.776 -12.101 1.00 13.51 H new ATOM 0 HG SER A 36 0.757 -1.923 -10.298 1.00 21.34 H new ATOM 551 N ASN A 37 -3.238 -1.220 -9.591 1.00 34.34 N ATOM 552 CA ASN A 37 -3.887 -1.676 -8.367 1.00 15.34 C ATOM 553 C ASN A 37 -5.405 -1.684 -8.526 1.00 63.53 C ATOM 554 O ASN A 37 -6.143 -1.602 -7.545 1.00 30.35 O ATOM 555 CB ASN A 37 -3.492 -0.780 -7.191 1.00 53.52 C ATOM 556 CG ASN A 37 -3.664 -1.472 -5.853 1.00 14.21 C ATOM 557 OD1 ASN A 37 -4.704 -1.346 -5.206 1.00 20.04 O ATOM 558 ND2 ASN A 37 -2.642 -2.208 -5.432 1.00 12.41 N ATOM 0 H ASN A 37 -3.141 -0.207 -9.665 1.00 34.34 H new ATOM 0 HA ASN A 37 -3.554 -2.695 -8.167 1.00 15.34 H new ATOM 0 HB2 ASN A 37 -2.453 -0.471 -7.306 1.00 53.52 H new ATOM 0 HB3 ASN A 37 -4.098 0.126 -7.209 1.00 53.52 H new ATOM 0 HD21 ASN A 37 -2.700 -2.698 -4.539 1.00 12.41 H new ATOM 0 HD22 ASN A 37 -1.799 -2.284 -6.002 1.00 12.41 H new ATOM 565 N ASP A 38 -5.863 -1.785 -9.769 1.00 64.22 N ATOM 566 CA ASP A 38 -7.292 -1.807 -10.058 1.00 42.52 C ATOM 567 C ASP A 38 -7.953 -0.502 -9.626 1.00 13.24 C ATOM 568 O ASP A 38 -8.732 -0.474 -8.672 1.00 11.30 O ATOM 569 CB ASP A 38 -7.959 -2.989 -9.354 1.00 4.03 C ATOM 570 CG ASP A 38 -9.391 -3.199 -9.804 1.00 41.43 C ATOM 571 OD1 ASP A 38 -9.659 -3.057 -11.016 1.00 62.51 O ATOM 572 OD2 ASP A 38 -10.244 -3.505 -8.945 1.00 41.43 O ATOM 0 H ASP A 38 -5.265 -1.853 -10.593 1.00 64.22 H new ATOM 0 HA ASP A 38 -7.418 -1.919 -11.135 1.00 42.52 H new ATOM 0 HB2 ASP A 38 -7.384 -3.895 -9.548 1.00 4.03 H new ATOM 0 HB3 ASP A 38 -7.940 -2.824 -8.277 1.00 4.03 H new ATOM 577 N THR A 39 -7.637 0.579 -10.332 1.00 72.04 N ATOM 578 CA THR A 39 -8.199 1.887 -10.021 1.00 5.34 C ATOM 579 C THR A 39 -8.389 2.719 -11.284 1.00 5.33 C ATOM 580 O THR A 39 -7.815 2.417 -12.330 1.00 31.54 O ATOM 581 CB THR A 39 -7.302 2.664 -9.038 1.00 65.21 C ATOM 582 OG1 THR A 39 -6.385 1.768 -8.399 1.00 13.13 O ATOM 583 CG2 THR A 39 -8.140 3.376 -7.987 1.00 23.40 C ATOM 0 H THR A 39 -6.994 0.574 -11.124 1.00 72.04 H new ATOM 0 HA THR A 39 -9.169 1.712 -9.556 1.00 5.34 H new ATOM 0 HB THR A 39 -6.745 3.412 -9.602 1.00 65.21 H new ATOM 0 HG1 THR A 39 -6.049 2.177 -7.575 1.00 13.13 H new ATOM 0 HG21 THR A 39 -7.485 3.917 -7.305 1.00 23.40 H new ATOM 0 HG22 THR A 39 -8.816 4.078 -8.475 1.00 23.40 H new ATOM 0 HG23 THR A 39 -8.721 2.643 -7.427 1.00 23.40 H new ATOM 591 N MET A 40 -9.196 3.769 -11.179 1.00 14.40 N ATOM 592 CA MET A 40 -9.460 4.647 -12.314 1.00 21.51 C ATOM 593 C MET A 40 -9.525 6.105 -11.870 1.00 64.45 C ATOM 594 O MET A 40 -10.093 6.420 -10.826 1.00 34.31 O ATOM 595 CB MET A 40 -10.770 4.251 -12.998 1.00 63.23 C ATOM 596 CG MET A 40 -10.683 2.941 -13.764 1.00 75.51 C ATOM 597 SD MET A 40 -12.020 2.745 -14.958 1.00 70.24 S ATOM 598 CE MET A 40 -11.236 3.358 -16.447 1.00 51.54 C ATOM 0 H MET A 40 -9.679 4.033 -10.320 1.00 14.40 H new ATOM 0 HA MET A 40 -8.640 4.538 -13.024 1.00 21.51 H new ATOM 0 HB2 MET A 40 -11.554 4.171 -12.245 1.00 63.23 H new ATOM 0 HB3 MET A 40 -11.067 5.045 -13.684 1.00 63.23 H new ATOM 0 HG2 MET A 40 -9.726 2.891 -14.284 1.00 75.51 H new ATOM 0 HG3 MET A 40 -10.706 2.110 -13.059 1.00 75.51 H new ATOM 0 HE1 MET A 40 -11.939 3.301 -17.278 1.00 51.54 H new ATOM 0 HE2 MET A 40 -10.933 4.394 -16.298 1.00 51.54 H new ATOM 0 HE3 MET A 40 -10.358 2.752 -16.672 1.00 51.54 H new ATOM 608 N GLU A 41 -8.938 6.989 -12.671 1.00 60.24 N ATOM 609 CA GLU A 41 -8.929 8.413 -12.359 1.00 50.12 C ATOM 610 C GLU A 41 -9.322 9.240 -13.580 1.00 10.10 C ATOM 611 O GLU A 41 -8.832 9.006 -14.684 1.00 51.12 O ATOM 612 CB GLU A 41 -7.546 8.841 -11.864 1.00 21.43 C ATOM 613 CG GLU A 41 -7.479 9.063 -10.362 1.00 54.41 C ATOM 614 CD GLU A 41 -7.368 7.767 -9.584 1.00 63.43 C ATOM 615 OE1 GLU A 41 -7.021 6.735 -10.196 1.00 71.13 O ATOM 616 OE2 GLU A 41 -7.627 7.784 -8.363 1.00 0.13 O ATOM 0 H GLU A 41 -8.463 6.744 -13.540 1.00 60.24 H new ATOM 0 HA GLU A 41 -9.660 8.590 -11.570 1.00 50.12 H new ATOM 0 HB2 GLU A 41 -6.818 8.080 -12.143 1.00 21.43 H new ATOM 0 HB3 GLU A 41 -7.256 9.761 -12.372 1.00 21.43 H new ATOM 0 HG2 GLU A 41 -6.622 9.696 -10.130 1.00 54.41 H new ATOM 0 HG3 GLU A 41 -8.370 9.601 -10.038 1.00 54.41 H new ATOM 623 N GLU A 42 -10.210 10.207 -13.371 1.00 41.44 N ATOM 624 CA GLU A 42 -10.670 11.068 -14.455 1.00 63.11 C ATOM 625 C GLU A 42 -10.309 12.526 -14.182 1.00 75.54 C ATOM 626 O GLU A 42 -10.504 13.028 -13.075 1.00 43.11 O ATOM 627 CB GLU A 42 -12.183 10.931 -14.638 1.00 64.32 C ATOM 628 CG GLU A 42 -12.623 9.532 -15.036 1.00 31.13 C ATOM 629 CD GLU A 42 -13.351 8.810 -13.918 1.00 60.14 C ATOM 630 OE1 GLU A 42 -14.270 9.410 -13.323 1.00 52.04 O ATOM 631 OE2 GLU A 42 -13.001 7.644 -13.639 1.00 62.14 O ATOM 0 H GLU A 42 -10.625 10.414 -12.462 1.00 41.44 H new ATOM 0 HA GLU A 42 -10.171 10.754 -15.372 1.00 63.11 H new ATOM 0 HB2 GLU A 42 -12.680 11.208 -13.708 1.00 64.32 H new ATOM 0 HB3 GLU A 42 -12.514 11.637 -15.399 1.00 64.32 H new ATOM 0 HG2 GLU A 42 -13.274 9.594 -15.908 1.00 31.13 H new ATOM 0 HG3 GLU A 42 -11.750 8.950 -15.331 1.00 31.13 H new ATOM 638 N HIS A 43 -9.783 13.199 -15.200 1.00 41.23 N ATOM 639 CA HIS A 43 -9.395 14.599 -15.071 1.00 51.43 C ATOM 640 C HIS A 43 -9.437 15.302 -16.425 1.00 72.31 C ATOM 641 O HIS A 43 -9.057 14.727 -17.445 1.00 52.24 O ATOM 642 CB HIS A 43 -7.994 14.709 -14.470 1.00 65.02 C ATOM 643 CG HIS A 43 -7.991 15.081 -13.019 1.00 74.34 C ATOM 644 ND1 HIS A 43 -7.046 14.622 -12.126 1.00 51.14 N ATOM 645 CD2 HIS A 43 -8.826 15.874 -12.307 1.00 61.34 C ATOM 646 CE1 HIS A 43 -7.300 15.115 -10.928 1.00 12.45 C ATOM 647 NE2 HIS A 43 -8.375 15.879 -11.010 1.00 70.33 N ATOM 0 H HIS A 43 -9.616 12.798 -16.123 1.00 41.23 H new ATOM 0 HA HIS A 43 -10.107 15.087 -14.406 1.00 51.43 H new ATOM 0 HB2 HIS A 43 -7.479 13.756 -14.593 1.00 65.02 H new ATOM 0 HB3 HIS A 43 -7.426 15.453 -15.028 1.00 65.02 H new ATOM 0 HD2 HIS A 43 -9.686 16.404 -12.688 1.00 61.34 H new ATOM 0 HE1 HIS A 43 -6.726 14.926 -10.033 1.00 12.45 H new ATOM 0 HE2 HIS A 43 -8.800 16.389 -10.236 1.00 70.33 H new ATOM 655 N SER A 44 -9.902 16.547 -16.426 1.00 74.23 N ATOM 656 CA SER A 44 -9.998 17.326 -17.655 1.00 75.23 C ATOM 657 C SER A 44 -9.085 18.547 -17.598 1.00 33.45 C ATOM 658 O SER A 44 -9.197 19.378 -16.696 1.00 70.31 O ATOM 659 CB SER A 44 -11.444 17.767 -17.893 1.00 30.22 C ATOM 660 OG SER A 44 -12.335 17.083 -17.029 1.00 24.54 O ATOM 0 H SER A 44 -10.218 17.038 -15.590 1.00 74.23 H new ATOM 0 HA SER A 44 -9.678 16.693 -18.483 1.00 75.23 H new ATOM 0 HB2 SER A 44 -11.531 18.842 -17.733 1.00 30.22 H new ATOM 0 HB3 SER A 44 -11.720 17.576 -18.930 1.00 30.22 H new ATOM 0 HG SER A 44 -13.137 16.820 -17.527 1.00 24.54 H new ATOM 666 N PHE A 45 -8.181 18.648 -18.566 1.00 73.33 N ATOM 667 CA PHE A 45 -7.247 19.766 -18.626 1.00 70.25 C ATOM 668 C PHE A 45 -6.762 20.145 -17.230 1.00 50.03 C ATOM 669 O PHE A 45 -7.140 21.185 -16.689 1.00 73.24 O ATOM 670 CB PHE A 45 -7.907 20.974 -19.295 1.00 63.31 C ATOM 671 CG PHE A 45 -6.928 22.029 -19.726 1.00 74.31 C ATOM 672 CD1 PHE A 45 -5.769 21.683 -20.401 1.00 23.24 C ATOM 673 CD2 PHE A 45 -7.168 23.366 -19.456 1.00 53.41 C ATOM 674 CE1 PHE A 45 -4.866 22.651 -20.799 1.00 54.21 C ATOM 675 CE2 PHE A 45 -6.270 24.339 -19.852 1.00 51.24 C ATOM 676 CZ PHE A 45 -5.117 23.981 -20.524 1.00 12.14 C ATOM 0 H PHE A 45 -8.075 17.969 -19.320 1.00 73.33 H new ATOM 0 HA PHE A 45 -6.386 19.457 -19.219 1.00 70.25 H new ATOM 0 HB2 PHE A 45 -8.470 20.635 -20.165 1.00 63.31 H new ATOM 0 HB3 PHE A 45 -8.624 21.416 -18.603 1.00 63.31 H new ATOM 0 HD1 PHE A 45 -5.568 20.644 -20.619 1.00 23.24 H new ATOM 0 HD2 PHE A 45 -8.067 23.651 -18.930 1.00 53.41 H new ATOM 0 HE1 PHE A 45 -3.966 22.368 -21.324 1.00 54.21 H new ATOM 0 HE2 PHE A 45 -6.469 25.378 -19.636 1.00 51.24 H new ATOM 0 HZ PHE A 45 -4.413 24.740 -20.834 1.00 12.14 H new ATOM 686 N THR A 46 -5.922 19.294 -16.651 1.00 25.54 N ATOM 687 CA THR A 46 -5.385 19.537 -15.317 1.00 75.14 C ATOM 688 C THR A 46 -4.165 18.664 -15.047 1.00 75.45 C ATOM 689 O THR A 46 -3.159 19.133 -14.516 1.00 53.50 O ATOM 690 CB THR A 46 -6.443 19.272 -14.230 1.00 33.34 C ATOM 691 OG1 THR A 46 -5.817 19.200 -12.944 1.00 64.21 O ATOM 692 CG2 THR A 46 -7.192 17.977 -14.507 1.00 54.24 C ATOM 0 H THR A 46 -5.598 18.429 -17.085 1.00 25.54 H new ATOM 0 HA THR A 46 -5.092 20.586 -15.281 1.00 75.14 H new ATOM 0 HB THR A 46 -7.157 20.096 -14.241 1.00 33.34 H new ATOM 0 HG1 THR A 46 -6.497 19.033 -12.258 1.00 64.21 H new ATOM 0 HG21 THR A 46 -7.934 17.811 -13.726 1.00 54.24 H new ATOM 0 HG22 THR A 46 -7.692 18.045 -15.473 1.00 54.24 H new ATOM 0 HG23 THR A 46 -6.488 17.145 -14.521 1.00 54.24 H new ATOM 700 N ASP A 47 -4.261 17.391 -15.417 1.00 51.33 N ATOM 701 CA ASP A 47 -3.164 16.452 -15.217 1.00 3.25 C ATOM 702 C ASP A 47 -1.867 16.998 -15.806 1.00 23.12 C ATOM 703 O ASP A 47 -1.886 17.764 -16.769 1.00 21.14 O ATOM 704 CB ASP A 47 -3.498 15.101 -15.851 1.00 2.21 C ATOM 705 CG ASP A 47 -2.364 14.103 -15.719 1.00 12.34 C ATOM 706 OD1 ASP A 47 -1.949 13.824 -14.574 1.00 14.21 O ATOM 707 OD2 ASP A 47 -1.892 13.601 -16.760 1.00 33.44 O ATOM 0 H ASP A 47 -5.087 16.986 -15.857 1.00 51.33 H new ATOM 0 HA ASP A 47 -3.026 16.316 -14.144 1.00 3.25 H new ATOM 0 HB2 ASP A 47 -4.393 14.694 -15.381 1.00 2.21 H new ATOM 0 HB3 ASP A 47 -3.730 15.246 -16.906 1.00 2.21 H new ATOM 712 N GLU A 48 -0.742 16.599 -15.220 1.00 32.42 N ATOM 713 CA GLU A 48 0.563 17.050 -15.686 1.00 65.14 C ATOM 714 C GLU A 48 1.154 16.063 -16.690 1.00 13.05 C ATOM 715 O GLU A 48 2.358 16.060 -16.939 1.00 25.15 O ATOM 716 CB GLU A 48 1.519 17.226 -14.505 1.00 23.24 C ATOM 717 CG GLU A 48 1.273 18.495 -13.706 1.00 60.12 C ATOM 718 CD GLU A 48 0.316 18.280 -12.550 1.00 11.11 C ATOM 719 OE1 GLU A 48 0.722 17.644 -11.555 1.00 1.13 O ATOM 720 OE2 GLU A 48 -0.839 18.747 -12.640 1.00 4.32 O ATOM 0 H GLU A 48 -0.709 15.965 -14.422 1.00 32.42 H new ATOM 0 HA GLU A 48 0.430 18.011 -16.183 1.00 65.14 H new ATOM 0 HB2 GLU A 48 1.426 16.366 -13.842 1.00 23.24 H new ATOM 0 HB3 GLU A 48 2.544 17.233 -14.876 1.00 23.24 H new ATOM 0 HG2 GLU A 48 2.223 18.868 -13.322 1.00 60.12 H new ATOM 0 HG3 GLU A 48 0.872 19.264 -14.367 1.00 60.12 H new ATOM 727 N GLY A 49 0.295 15.225 -17.262 1.00 54.23 N ATOM 728 CA GLY A 49 0.749 14.244 -18.231 1.00 13.51 C ATOM 729 C GLY A 49 0.542 14.703 -19.661 1.00 4.32 C ATOM 730 O GLY A 49 1.348 14.398 -20.541 1.00 15.33 O ATOM 0 H GLY A 49 -0.707 15.208 -17.072 1.00 54.23 H new ATOM 0 HA2 GLY A 49 1.807 14.039 -18.068 1.00 13.51 H new ATOM 0 HA3 GLY A 49 0.215 13.307 -18.072 1.00 13.51 H new ATOM 734 N VAL A 50 -0.541 15.437 -19.895 1.00 2.53 N ATOM 735 CA VAL A 50 -0.851 15.939 -21.228 1.00 73.32 C ATOM 736 C VAL A 50 -0.322 17.355 -21.420 1.00 2.42 C ATOM 737 O VAL A 50 -0.549 18.231 -20.586 1.00 3.04 O ATOM 738 CB VAL A 50 -2.369 15.930 -21.492 1.00 22.40 C ATOM 739 CG1 VAL A 50 -2.921 14.516 -21.385 1.00 0.30 C ATOM 740 CG2 VAL A 50 -3.082 16.864 -20.527 1.00 55.20 C ATOM 0 H VAL A 50 -1.219 15.697 -19.178 1.00 2.53 H new ATOM 0 HA VAL A 50 -0.361 15.273 -21.938 1.00 73.32 H new ATOM 0 HB VAL A 50 -2.547 16.288 -22.506 1.00 22.40 H new ATOM 0 HG11 VAL A 50 -3.994 14.529 -21.574 1.00 0.30 H new ATOM 0 HG12 VAL A 50 -2.431 13.877 -22.120 1.00 0.30 H new ATOM 0 HG13 VAL A 50 -2.734 14.127 -20.384 1.00 0.30 H new ATOM 0 HG21 VAL A 50 -4.153 16.846 -20.727 1.00 55.20 H new ATOM 0 HG22 VAL A 50 -2.899 16.538 -19.503 1.00 55.20 H new ATOM 0 HG23 VAL A 50 -2.706 17.879 -20.658 1.00 55.20 H new ATOM 750 N GLU A 51 0.385 17.573 -22.525 1.00 33.02 N ATOM 751 CA GLU A 51 0.947 18.884 -22.825 1.00 51.44 C ATOM 752 C GLU A 51 0.294 19.485 -24.067 1.00 71.42 C ATOM 753 O GLU A 51 0.236 18.848 -25.120 1.00 11.23 O ATOM 754 CB GLU A 51 2.460 18.780 -23.031 1.00 14.51 C ATOM 755 CG GLU A 51 3.227 18.469 -21.757 1.00 71.20 C ATOM 756 CD GLU A 51 4.289 17.406 -21.961 1.00 32.31 C ATOM 757 OE1 GLU A 51 5.082 17.536 -22.917 1.00 11.02 O ATOM 758 OE2 GLU A 51 4.327 16.444 -21.166 1.00 34.15 O ATOM 0 H GLU A 51 0.582 16.859 -23.226 1.00 33.02 H new ATOM 0 HA GLU A 51 0.747 19.539 -21.977 1.00 51.44 H new ATOM 0 HB2 GLU A 51 2.665 18.003 -23.768 1.00 14.51 H new ATOM 0 HB3 GLU A 51 2.827 19.719 -23.446 1.00 14.51 H new ATOM 0 HG2 GLU A 51 3.697 19.381 -21.388 1.00 71.20 H new ATOM 0 HG3 GLU A 51 2.529 18.137 -20.989 1.00 71.20 H new ATOM 765 N ILE A 52 -0.196 20.713 -23.936 1.00 34.55 N ATOM 766 CA ILE A 52 -0.845 21.399 -25.046 1.00 64.21 C ATOM 767 C ILE A 52 0.110 22.379 -25.719 1.00 10.42 C ATOM 768 O ILE A 52 0.870 23.079 -25.050 1.00 1.40 O ATOM 769 CB ILE A 52 -2.101 22.159 -24.582 1.00 2.31 C ATOM 770 CG1 ILE A 52 -2.865 21.338 -23.541 1.00 51.33 C ATOM 771 CG2 ILE A 52 -2.994 22.482 -25.770 1.00 72.34 C ATOM 772 CD1 ILE A 52 -3.290 19.975 -24.040 1.00 63.13 C ATOM 0 H ILE A 52 -0.156 21.253 -23.072 1.00 34.55 H new ATOM 0 HA ILE A 52 -1.140 20.632 -25.762 1.00 64.21 H new ATOM 0 HB ILE A 52 -1.791 23.097 -24.121 1.00 2.31 H new ATOM 0 HG12 ILE A 52 -2.239 21.214 -22.657 1.00 51.33 H new ATOM 0 HG13 ILE A 52 -3.749 21.894 -23.229 1.00 51.33 H new ATOM 0 HG21 ILE A 52 -3.878 23.019 -25.426 1.00 72.34 H new ATOM 0 HG22 ILE A 52 -2.446 23.102 -26.479 1.00 72.34 H new ATOM 0 HG23 ILE A 52 -3.299 21.556 -26.258 1.00 72.34 H new ATOM 0 HD11 ILE A 52 -3.826 19.449 -23.250 1.00 63.13 H new ATOM 0 HD12 ILE A 52 -3.942 20.092 -24.906 1.00 63.13 H new ATOM 0 HD13 ILE A 52 -2.408 19.401 -24.325 1.00 63.13 H new ATOM 784 N SER A 53 0.064 22.426 -27.046 1.00 73.44 N ATOM 785 CA SER A 53 0.926 23.319 -27.811 1.00 11.33 C ATOM 786 C SER A 53 0.180 23.901 -29.008 1.00 2.43 C ATOM 787 O SER A 53 -0.527 23.189 -29.719 1.00 42.12 O ATOM 788 CB SER A 53 2.175 22.574 -28.286 1.00 54.34 C ATOM 789 OG SER A 53 3.351 23.304 -27.982 1.00 73.11 O ATOM 0 H SER A 53 -0.562 21.855 -27.614 1.00 73.44 H new ATOM 0 HA SER A 53 1.227 24.139 -27.159 1.00 11.33 H new ATOM 0 HB2 SER A 53 2.219 21.593 -27.812 1.00 54.34 H new ATOM 0 HB3 SER A 53 2.115 22.406 -29.361 1.00 54.34 H new ATOM 0 HG SER A 53 4.135 22.806 -28.294 1.00 73.11 H new ATOM 795 N GLY A 54 0.344 25.203 -29.223 1.00 41.23 N ATOM 796 CA GLY A 54 -0.319 25.860 -30.334 1.00 51.43 C ATOM 797 C GLY A 54 -1.424 26.793 -29.880 1.00 50.41 C ATOM 798 O GLY A 54 -1.895 27.630 -30.651 1.00 12.35 O ATOM 0 H GLY A 54 0.924 25.814 -28.648 1.00 41.23 H new ATOM 0 HA2 GLY A 54 0.415 26.424 -30.909 1.00 51.43 H new ATOM 0 HA3 GLY A 54 -0.736 25.106 -31.002 1.00 51.43 H new ATOM 802 N TYR A 55 -1.840 26.649 -28.627 1.00 2.22 N ATOM 803 CA TYR A 55 -2.899 27.483 -28.072 1.00 55.33 C ATOM 804 C TYR A 55 -2.318 28.695 -27.350 1.00 23.52 C ATOM 805 O TYR A 55 -1.305 28.591 -26.657 1.00 14.01 O ATOM 806 CB TYR A 55 -3.767 26.670 -27.110 1.00 61.33 C ATOM 807 CG TYR A 55 -3.648 27.109 -25.668 1.00 41.35 C ATOM 808 CD1 TYR A 55 -2.660 26.588 -24.842 1.00 43.03 C ATOM 809 CD2 TYR A 55 -4.524 28.045 -25.132 1.00 62.11 C ATOM 810 CE1 TYR A 55 -2.547 26.986 -23.524 1.00 55.11 C ATOM 811 CE2 TYR A 55 -4.418 28.450 -23.816 1.00 31.23 C ATOM 812 CZ TYR A 55 -3.429 27.917 -23.016 1.00 4.53 C ATOM 813 OH TYR A 55 -3.321 28.317 -21.703 1.00 41.23 O ATOM 0 H TYR A 55 -1.460 25.962 -27.976 1.00 2.22 H new ATOM 0 HA TYR A 55 -3.517 27.837 -28.897 1.00 55.33 H new ATOM 0 HB2 TYR A 55 -4.809 26.748 -27.420 1.00 61.33 H new ATOM 0 HB3 TYR A 55 -3.490 25.618 -27.185 1.00 61.33 H new ATOM 0 HD1 TYR A 55 -1.968 25.859 -25.237 1.00 43.03 H new ATOM 0 HD2 TYR A 55 -5.301 28.463 -25.755 1.00 62.11 H new ATOM 0 HE1 TYR A 55 -1.773 26.571 -22.895 1.00 55.11 H new ATOM 0 HE2 TYR A 55 -5.106 29.180 -23.415 1.00 31.23 H new ATOM 0 HH TYR A 55 -2.384 28.262 -21.420 1.00 41.23 H new ATOM 823 N ASP A 56 -2.966 29.842 -27.517 1.00 2.02 N ATOM 824 CA ASP A 56 -2.515 31.074 -26.880 1.00 14.20 C ATOM 825 C ASP A 56 -3.544 31.570 -25.868 1.00 42.54 C ATOM 826 O ASP A 56 -4.503 32.253 -26.228 1.00 31.55 O ATOM 827 CB ASP A 56 -2.256 32.153 -27.933 1.00 71.52 C ATOM 828 CG ASP A 56 -0.887 32.022 -28.571 1.00 21.23 C ATOM 829 OD1 ASP A 56 -0.756 31.247 -29.541 1.00 31.21 O ATOM 830 OD2 ASP A 56 0.054 32.694 -28.099 1.00 23.12 O ATOM 0 H ASP A 56 -3.805 29.945 -28.088 1.00 2.02 H new ATOM 0 HA ASP A 56 -1.585 30.862 -26.352 1.00 14.20 H new ATOM 0 HB2 ASP A 56 -3.021 32.093 -28.707 1.00 71.52 H new ATOM 0 HB3 ASP A 56 -2.346 33.136 -27.471 1.00 71.52 H new ATOM 835 N ALA A 57 -3.337 31.222 -24.603 1.00 10.24 N ATOM 836 CA ALA A 57 -4.245 31.633 -23.539 1.00 73.12 C ATOM 837 C ALA A 57 -4.418 33.148 -23.519 1.00 64.10 C ATOM 838 O ALA A 57 -5.464 33.657 -23.117 1.00 63.24 O ATOM 839 CB ALA A 57 -3.738 31.139 -22.192 1.00 53.52 C ATOM 0 H ALA A 57 -2.548 30.656 -24.289 1.00 10.24 H new ATOM 0 HA ALA A 57 -5.220 31.185 -23.734 1.00 73.12 H new ATOM 0 HB1 ALA A 57 -4.426 31.453 -21.407 1.00 53.52 H new ATOM 0 HB2 ALA A 57 -3.674 30.051 -22.204 1.00 53.52 H new ATOM 0 HB3 ALA A 57 -2.751 31.559 -21.999 1.00 53.52 H new ATOM 845 N GLN A 58 -3.385 33.862 -23.954 1.00 44.20 N ATOM 846 CA GLN A 58 -3.423 35.320 -23.984 1.00 23.50 C ATOM 847 C GLN A 58 -4.390 35.817 -25.053 1.00 32.02 C ATOM 848 O GLN A 58 -4.906 36.932 -24.968 1.00 72.43 O ATOM 849 CB GLN A 58 -2.024 35.882 -24.244 1.00 11.04 C ATOM 850 CG GLN A 58 -1.466 36.686 -23.080 1.00 51.15 C ATOM 851 CD GLN A 58 -0.360 37.633 -23.503 1.00 11.01 C ATOM 852 OE1 GLN A 58 0.216 37.491 -24.582 1.00 1.02 O ATOM 853 NE2 GLN A 58 -0.057 38.607 -22.653 1.00 15.04 N ATOM 0 H GLN A 58 -2.512 33.455 -24.290 1.00 44.20 H new ATOM 0 HA GLN A 58 -3.773 35.670 -23.013 1.00 23.50 H new ATOM 0 HB2 GLN A 58 -1.345 35.058 -24.464 1.00 11.04 H new ATOM 0 HB3 GLN A 58 -2.055 36.515 -25.131 1.00 11.04 H new ATOM 0 HG2 GLN A 58 -2.272 37.257 -22.618 1.00 51.15 H new ATOM 0 HG3 GLN A 58 -1.084 36.003 -22.321 1.00 51.15 H new ATOM 0 HE21 GLN A 58 -0.560 38.688 -21.769 1.00 15.04 H new ATOM 0 HE22 GLN A 58 0.679 39.275 -22.884 1.00 15.04 H new ATOM 862 N LYS A 59 -4.632 34.983 -26.059 1.00 10.51 N ATOM 863 CA LYS A 59 -5.538 35.337 -27.145 1.00 53.00 C ATOM 864 C LYS A 59 -6.037 34.089 -27.866 1.00 30.43 C ATOM 865 O LYS A 59 -5.253 33.345 -28.456 1.00 72.42 O ATOM 866 CB LYS A 59 -4.838 36.267 -28.139 1.00 33.04 C ATOM 867 CG LYS A 59 -5.230 37.726 -27.985 1.00 51.44 C ATOM 868 CD LYS A 59 -4.035 38.647 -28.170 1.00 32.22 C ATOM 869 CE LYS A 59 -4.169 39.909 -27.331 1.00 61.31 C ATOM 870 NZ LYS A 59 -4.936 40.969 -28.042 1.00 62.34 N ATOM 0 H LYS A 59 -4.213 34.057 -26.145 1.00 10.51 H new ATOM 0 HA LYS A 59 -6.395 35.854 -26.715 1.00 53.00 H new ATOM 0 HB2 LYS A 59 -3.759 36.174 -28.013 1.00 33.04 H new ATOM 0 HB3 LYS A 59 -5.070 35.942 -29.153 1.00 33.04 H new ATOM 0 HG2 LYS A 59 -6.000 37.976 -28.715 1.00 51.44 H new ATOM 0 HG3 LYS A 59 -5.664 37.885 -26.998 1.00 51.44 H new ATOM 0 HD2 LYS A 59 -3.122 38.120 -27.893 1.00 32.22 H new ATOM 0 HD3 LYS A 59 -3.941 38.916 -29.222 1.00 32.22 H new ATOM 0 HE2 LYS A 59 -4.667 39.669 -26.391 1.00 61.31 H new ATOM 0 HE3 LYS A 59 -3.177 40.285 -27.080 1.00 61.31 H new ATOM 0 HZ1 LYS A 59 -5.005 41.812 -27.437 1.00 62.34 H new ATOM 0 HZ2 LYS A 59 -4.448 41.216 -28.927 1.00 62.34 H new ATOM 0 HZ3 LYS A 59 -5.891 40.620 -28.259 1.00 62.34 H new ATOM 884 N THR A 60 -7.347 33.865 -27.815 1.00 24.42 N ATOM 885 CA THR A 60 -7.950 32.707 -28.463 1.00 23.12 C ATOM 886 C THR A 60 -8.386 33.038 -29.885 1.00 54.32 C ATOM 887 O THR A 60 -7.661 32.779 -30.844 1.00 62.21 O ATOM 888 CB THR A 60 -9.166 32.191 -27.672 1.00 32.45 C ATOM 889 OG1 THR A 60 -9.677 33.228 -26.827 1.00 33.22 O ATOM 890 CG2 THR A 60 -8.790 30.982 -26.828 1.00 22.01 C ATOM 0 H THR A 60 -8.010 34.471 -27.332 1.00 24.42 H new ATOM 0 HA THR A 60 -7.188 31.928 -28.492 1.00 23.12 H new ATOM 0 HB THR A 60 -9.934 31.892 -28.385 1.00 32.45 H new ATOM 0 HG1 THR A 60 -9.493 33.007 -25.890 1.00 33.22 H new ATOM 0 HG21 THR A 60 -9.665 30.636 -26.278 1.00 22.01 H new ATOM 0 HG22 THR A 60 -8.429 30.184 -27.476 1.00 22.01 H new ATOM 0 HG23 THR A 60 -8.006 31.260 -26.124 1.00 22.01 H new ATOM 898 N GLY A 61 -9.578 33.614 -30.015 1.00 2.54 N ATOM 899 CA GLY A 61 -10.090 33.973 -31.324 1.00 72.43 C ATOM 900 C GLY A 61 -9.903 32.865 -32.343 1.00 13.44 C ATOM 901 O GLY A 61 -9.316 33.081 -33.403 1.00 24.33 O ATOM 0 H GLY A 61 -10.198 33.838 -29.236 1.00 2.54 H new ATOM 0 HA2 GLY A 61 -11.150 34.213 -31.243 1.00 72.43 H new ATOM 0 HA3 GLY A 61 -9.585 34.873 -31.674 1.00 72.43 H new ATOM 905 N ARG A 62 -10.403 31.677 -32.020 1.00 62.24 N ATOM 906 CA ARG A 62 -10.285 30.531 -32.914 1.00 73.10 C ATOM 907 C ARG A 62 -8.823 30.136 -33.102 1.00 54.14 C ATOM 908 O ARG A 62 -8.215 30.445 -34.126 1.00 61.05 O ATOM 909 CB ARG A 62 -10.918 30.848 -34.270 1.00 61.13 C ATOM 910 CG ARG A 62 -11.279 29.612 -35.078 1.00 31.23 C ATOM 911 CD ARG A 62 -10.130 29.176 -35.973 1.00 51.15 C ATOM 912 NE ARG A 62 -10.599 28.696 -37.271 1.00 10.23 N ATOM 913 CZ ARG A 62 -10.953 29.500 -38.267 1.00 61.34 C ATOM 914 NH1 ARG A 62 -10.891 30.816 -38.117 1.00 31.55 N ATOM 915 NH2 ARG A 62 -11.369 28.987 -39.418 1.00 54.44 N ATOM 0 H ARG A 62 -10.893 31.483 -31.147 1.00 62.24 H new ATOM 0 HA ARG A 62 -10.814 29.692 -32.461 1.00 73.10 H new ATOM 0 HB2 ARG A 62 -11.817 31.443 -34.111 1.00 61.13 H new ATOM 0 HB3 ARG A 62 -10.228 31.461 -34.849 1.00 61.13 H new ATOM 0 HG2 ARG A 62 -11.544 28.799 -34.402 1.00 31.23 H new ATOM 0 HG3 ARG A 62 -12.158 29.819 -35.688 1.00 31.23 H new ATOM 0 HD2 ARG A 62 -9.448 30.013 -36.121 1.00 51.15 H new ATOM 0 HD3 ARG A 62 -9.564 28.387 -35.478 1.00 51.15 H new ATOM 0 HE ARG A 62 -10.658 27.689 -37.420 1.00 10.23 H new ATOM 0 HH11 ARG A 62 -10.571 31.214 -37.234 1.00 31.55 H new ATOM 0 HH12 ARG A 62 -11.164 31.430 -38.884 1.00 31.55 H new ATOM 0 HH21 ARG A 62 -11.417 27.975 -39.538 1.00 54.44 H new ATOM 0 HH22 ARG A 62 -11.641 29.605 -40.183 1.00 54.44 H new ATOM 929 N GLN A 63 -8.267 29.453 -32.107 1.00 74.33 N ATOM 930 CA GLN A 63 -6.877 29.017 -32.164 1.00 0.35 C ATOM 931 C GLN A 63 -6.782 27.495 -32.139 1.00 3.34 C ATOM 932 O GLN A 63 -7.596 26.821 -31.506 1.00 45.41 O ATOM 933 CB GLN A 63 -6.088 29.609 -30.994 1.00 65.34 C ATOM 934 CG GLN A 63 -5.471 30.964 -31.300 1.00 42.05 C ATOM 935 CD GLN A 63 -3.999 30.870 -31.651 1.00 60.43 C ATOM 936 OE1 GLN A 63 -3.496 29.796 -31.985 1.00 0.25 O ATOM 937 NE2 GLN A 63 -3.299 31.996 -31.578 1.00 73.12 N ATOM 0 H GLN A 63 -8.757 29.190 -31.252 1.00 74.33 H new ATOM 0 HA GLN A 63 -6.448 29.373 -33.101 1.00 0.35 H new ATOM 0 HB2 GLN A 63 -6.749 29.706 -30.133 1.00 65.34 H new ATOM 0 HB3 GLN A 63 -5.297 28.914 -30.712 1.00 65.34 H new ATOM 0 HG2 GLN A 63 -6.009 31.425 -32.128 1.00 42.05 H new ATOM 0 HG3 GLN A 63 -5.594 31.618 -30.437 1.00 42.05 H new ATOM 0 HE21 GLN A 63 -3.756 32.863 -31.297 1.00 73.12 H new ATOM 0 HE22 GLN A 63 -2.304 31.994 -31.803 1.00 73.12 H new ATOM 946 N THR A 64 -5.782 26.958 -32.832 1.00 12.34 N ATOM 947 CA THR A 64 -5.581 25.516 -32.890 1.00 53.14 C ATOM 948 C THR A 64 -4.908 25.003 -31.623 1.00 35.54 C ATOM 949 O THR A 64 -4.205 25.745 -30.936 1.00 52.22 O ATOM 950 CB THR A 64 -4.727 25.117 -34.109 1.00 14.02 C ATOM 951 OG1 THR A 64 -3.842 26.187 -34.458 1.00 22.31 O ATOM 952 CG2 THR A 64 -5.610 24.774 -35.299 1.00 72.22 C ATOM 0 H THR A 64 -5.099 27.501 -33.361 1.00 12.34 H new ATOM 0 HA THR A 64 -6.568 25.063 -32.982 1.00 53.14 H new ATOM 0 HB THR A 64 -4.144 24.235 -33.844 1.00 14.02 H new ATOM 0 HG1 THR A 64 -3.302 25.925 -35.232 1.00 22.31 H new ATOM 0 HG21 THR A 64 -4.985 24.495 -36.147 1.00 72.22 H new ATOM 0 HG22 THR A 64 -6.262 23.940 -35.040 1.00 72.22 H new ATOM 0 HG23 THR A 64 -6.216 25.640 -35.564 1.00 72.22 H new ATOM 960 N LEU A 65 -5.127 23.728 -31.317 1.00 14.51 N ATOM 961 CA LEU A 65 -4.541 23.115 -30.131 1.00 21.45 C ATOM 962 C LEU A 65 -4.163 21.662 -30.400 1.00 23.33 C ATOM 963 O LEU A 65 -4.931 20.909 -31.000 1.00 1.11 O ATOM 964 CB LEU A 65 -5.519 23.190 -28.957 1.00 30.12 C ATOM 965 CG LEU A 65 -5.937 24.595 -28.520 1.00 65.41 C ATOM 966 CD1 LEU A 65 -7.162 25.052 -29.295 1.00 52.43 C ATOM 967 CD2 LEU A 65 -6.206 24.629 -27.023 1.00 15.41 C ATOM 0 H LEU A 65 -5.706 23.100 -31.874 1.00 14.51 H new ATOM 0 HA LEU A 65 -3.636 23.666 -29.877 1.00 21.45 H new ATOM 0 HB2 LEU A 65 -6.417 22.631 -29.222 1.00 30.12 H new ATOM 0 HB3 LEU A 65 -5.069 22.684 -28.103 1.00 30.12 H new ATOM 0 HG LEU A 65 -5.119 25.282 -28.737 1.00 65.41 H new ATOM 0 HD11 LEU A 65 -7.445 26.053 -28.971 1.00 52.43 H new ATOM 0 HD12 LEU A 65 -6.934 25.067 -30.361 1.00 52.43 H new ATOM 0 HD13 LEU A 65 -7.987 24.364 -29.110 1.00 52.43 H new ATOM 0 HD21 LEU A 65 -6.502 25.636 -26.729 1.00 15.41 H new ATOM 0 HD22 LEU A 65 -7.007 23.930 -26.781 1.00 15.41 H new ATOM 0 HD23 LEU A 65 -5.302 24.345 -26.484 1.00 15.41 H new ATOM 979 N THR A 66 -2.974 21.272 -29.950 1.00 20.32 N ATOM 980 CA THR A 66 -2.494 19.909 -30.141 1.00 1.02 C ATOM 981 C THR A 66 -1.919 19.342 -28.848 1.00 4.51 C ATOM 982 O THR A 66 -0.859 19.770 -28.388 1.00 1.01 O ATOM 983 CB THR A 66 -1.418 19.841 -31.241 1.00 40.51 C ATOM 984 OG1 THR A 66 -0.967 21.161 -31.567 1.00 21.12 O ATOM 985 CG2 THR A 66 -1.962 19.163 -32.489 1.00 53.53 C ATOM 0 H THR A 66 -2.326 21.881 -29.451 1.00 20.32 H new ATOM 0 HA THR A 66 -3.353 19.312 -30.446 1.00 1.02 H new ATOM 0 HB THR A 66 -0.581 19.254 -30.864 1.00 40.51 H new ATOM 0 HG1 THR A 66 -0.737 21.641 -30.744 1.00 21.12 H new ATOM 0 HG21 THR A 66 -1.184 19.127 -33.252 1.00 53.53 H new ATOM 0 HG22 THR A 66 -2.278 18.149 -32.244 1.00 53.53 H new ATOM 0 HG23 THR A 66 -2.815 19.727 -32.867 1.00 53.53 H new ATOM 993 N LEU A 67 -2.622 18.378 -28.266 1.00 33.15 N ATOM 994 CA LEU A 67 -2.181 17.751 -27.024 1.00 44.34 C ATOM 995 C LEU A 67 -1.497 16.416 -27.302 1.00 3.43 C ATOM 996 O LEU A 67 -2.000 15.596 -28.070 1.00 55.51 O ATOM 997 CB LEU A 67 -3.369 17.543 -26.084 1.00 71.22 C ATOM 998 CG LEU A 67 -4.142 16.235 -26.259 1.00 23.22 C ATOM 999 CD1 LEU A 67 -3.522 15.132 -25.414 1.00 51.14 C ATOM 1000 CD2 LEU A 67 -5.607 16.428 -25.895 1.00 43.13 C ATOM 0 H LEU A 67 -3.500 18.013 -28.634 1.00 33.15 H new ATOM 0 HA LEU A 67 -1.461 18.415 -26.546 1.00 44.34 H new ATOM 0 HB2 LEU A 67 -3.007 17.593 -25.057 1.00 71.22 H new ATOM 0 HB3 LEU A 67 -4.063 18.373 -26.219 1.00 71.22 H new ATOM 0 HG LEU A 67 -4.085 15.939 -27.306 1.00 23.22 H new ATOM 0 HD11 LEU A 67 -4.085 14.209 -25.551 1.00 51.14 H new ATOM 0 HD12 LEU A 67 -2.488 14.976 -25.722 1.00 51.14 H new ATOM 0 HD13 LEU A 67 -3.548 15.420 -24.363 1.00 51.14 H new ATOM 0 HD21 LEU A 67 -6.141 15.487 -26.026 1.00 43.13 H new ATOM 0 HD22 LEU A 67 -5.685 16.748 -24.856 1.00 43.13 H new ATOM 0 HD23 LEU A 67 -6.046 17.187 -26.542 1.00 43.13 H new ATOM 1012 N HIS A 68 -0.347 16.204 -26.669 1.00 60.33 N ATOM 1013 CA HIS A 68 0.405 14.966 -26.846 1.00 1.43 C ATOM 1014 C HIS A 68 0.649 14.283 -25.504 1.00 5.14 C ATOM 1015 O HIS A 68 1.363 14.809 -24.649 1.00 63.21 O ATOM 1016 CB HIS A 68 1.739 15.250 -27.537 1.00 71.33 C ATOM 1017 CG HIS A 68 2.619 14.044 -27.658 1.00 71.12 C ATOM 1018 ND1 HIS A 68 2.811 13.368 -28.845 1.00 4.52 N ATOM 1019 CD2 HIS A 68 3.362 13.394 -26.732 1.00 71.32 C ATOM 1020 CE1 HIS A 68 3.633 12.354 -28.643 1.00 62.02 C ATOM 1021 NE2 HIS A 68 3.982 12.347 -27.369 1.00 43.34 N ATOM 0 H HIS A 68 0.084 16.872 -26.030 1.00 60.33 H new ATOM 0 HA HIS A 68 -0.185 14.297 -27.472 1.00 1.43 H new ATOM 0 HB2 HIS A 68 1.545 15.650 -28.532 1.00 71.33 H new ATOM 0 HB3 HIS A 68 2.270 16.023 -26.981 1.00 71.33 H new ATOM 0 HD2 HIS A 68 3.451 13.651 -25.687 1.00 71.32 H new ATOM 0 HE1 HIS A 68 3.964 11.650 -29.392 1.00 62.02 H new ATOM 0 HE2 HIS A 68 4.610 11.674 -26.930 1.00 43.34 H new ATOM 1029 N TYR A 69 0.052 13.110 -25.325 1.00 43.21 N ATOM 1030 CA TYR A 69 0.203 12.357 -24.086 1.00 35.32 C ATOM 1031 C TYR A 69 0.304 10.861 -24.367 1.00 22.42 C ATOM 1032 O TYR A 69 -0.515 10.298 -25.093 1.00 2.01 O ATOM 1033 CB TYR A 69 -0.976 12.632 -23.151 1.00 11.43 C ATOM 1034 CG TYR A 69 -0.881 11.909 -21.827 1.00 25.25 C ATOM 1035 CD1 TYR A 69 0.340 11.764 -21.179 1.00 21.35 C ATOM 1036 CD2 TYR A 69 -2.010 11.369 -21.224 1.00 12.41 C ATOM 1037 CE1 TYR A 69 0.432 11.103 -19.969 1.00 25.31 C ATOM 1038 CE2 TYR A 69 -1.927 10.708 -20.014 1.00 15.22 C ATOM 1039 CZ TYR A 69 -0.704 10.577 -19.390 1.00 51.34 C ATOM 1040 OH TYR A 69 -0.617 9.918 -18.186 1.00 13.14 O ATOM 0 H TYR A 69 -0.541 12.660 -26.022 1.00 43.21 H new ATOM 0 HA TYR A 69 1.125 12.681 -23.603 1.00 35.32 H new ATOM 0 HB2 TYR A 69 -1.039 13.704 -22.966 1.00 11.43 H new ATOM 0 HB3 TYR A 69 -1.900 12.339 -23.650 1.00 11.43 H new ATOM 0 HD1 TYR A 69 1.232 12.175 -21.629 1.00 21.35 H new ATOM 0 HD2 TYR A 69 -2.969 11.468 -21.710 1.00 12.41 H new ATOM 0 HE1 TYR A 69 1.389 10.999 -19.479 1.00 25.31 H new ATOM 0 HE2 TYR A 69 -2.815 10.296 -19.559 1.00 15.22 H new ATOM 0 HH TYR A 69 -1.508 9.610 -17.916 1.00 13.14 H new ATOM 1050 N GLN A 70 1.315 10.223 -23.785 1.00 42.42 N ATOM 1051 CA GLN A 70 1.525 8.793 -23.973 1.00 32.44 C ATOM 1052 C GLN A 70 1.697 8.457 -25.450 1.00 62.42 C ATOM 1053 O GLN A 70 1.522 7.310 -25.861 1.00 3.21 O ATOM 1054 CB GLN A 70 0.350 8.003 -23.392 1.00 3.45 C ATOM 1055 CG GLN A 70 0.693 7.255 -22.114 1.00 22.33 C ATOM 1056 CD GLN A 70 1.363 5.921 -22.381 1.00 34.14 C ATOM 1057 OE1 GLN A 70 0.881 5.121 -23.183 1.00 72.11 O ATOM 1058 NE2 GLN A 70 2.480 5.674 -21.707 1.00 43.14 N ATOM 0 H GLN A 70 2.001 10.674 -23.180 1.00 42.42 H new ATOM 0 HA GLN A 70 2.438 8.514 -23.447 1.00 32.44 H new ATOM 0 HB2 GLN A 70 -0.474 8.688 -23.192 1.00 3.45 H new ATOM 0 HB3 GLN A 70 -0.002 7.290 -24.137 1.00 3.45 H new ATOM 0 HG2 GLN A 70 1.351 7.872 -21.502 1.00 22.33 H new ATOM 0 HG3 GLN A 70 -0.218 7.091 -21.538 1.00 22.33 H new ATOM 0 HE21 GLN A 70 2.844 6.366 -21.052 1.00 43.14 H new ATOM 0 HE22 GLN A 70 2.974 4.792 -21.844 1.00 43.14 H new ATOM 1067 N GLY A 71 2.041 9.465 -26.245 1.00 43.24 N ATOM 1068 CA GLY A 71 2.231 9.256 -27.669 1.00 1.11 C ATOM 1069 C GLY A 71 1.015 9.655 -28.481 1.00 12.13 C ATOM 1070 O GLY A 71 1.131 10.002 -29.657 1.00 35.43 O ATOM 0 H GLY A 71 2.192 10.423 -25.929 1.00 43.24 H new ATOM 0 HA2 GLY A 71 3.093 9.831 -28.006 1.00 1.11 H new ATOM 0 HA3 GLY A 71 2.457 8.206 -27.852 1.00 1.11 H new ATOM 1074 N HIS A 72 -0.156 9.605 -27.853 1.00 51.12 N ATOM 1075 CA HIS A 72 -1.400 9.963 -28.526 1.00 2.42 C ATOM 1076 C HIS A 72 -1.475 11.469 -28.764 1.00 22.45 C ATOM 1077 O HIS A 72 -1.107 12.262 -27.897 1.00 71.45 O ATOM 1078 CB HIS A 72 -2.602 9.505 -27.699 1.00 44.31 C ATOM 1079 CG HIS A 72 -3.313 10.626 -27.004 1.00 63.44 C ATOM 1080 ND1 HIS A 72 -3.104 10.942 -25.679 1.00 35.25 N ATOM 1081 CD2 HIS A 72 -4.233 11.508 -27.460 1.00 20.51 C ATOM 1082 CE1 HIS A 72 -3.867 11.969 -25.348 1.00 71.40 C ATOM 1083 NE2 HIS A 72 -4.562 12.331 -26.411 1.00 45.25 N ATOM 0 H HIS A 72 -0.269 9.320 -26.880 1.00 51.12 H new ATOM 0 HA HIS A 72 -1.420 9.459 -29.492 1.00 2.42 H new ATOM 0 HB2 HIS A 72 -3.306 8.988 -28.351 1.00 44.31 H new ATOM 0 HB3 HIS A 72 -2.267 8.782 -26.955 1.00 44.31 H new ATOM 0 HD1 HIS A 72 -2.461 10.459 -25.052 1.00 35.25 H new ATOM 0 HD2 HIS A 72 -4.634 11.556 -28.462 1.00 20.51 H new ATOM 0 HE1 HIS A 72 -3.914 12.433 -24.374 1.00 71.40 H new ATOM 1091 N GLU A 73 -1.953 11.854 -29.943 1.00 24.32 N ATOM 1092 CA GLU A 73 -2.074 13.264 -30.294 1.00 24.23 C ATOM 1093 C GLU A 73 -3.516 13.615 -30.648 1.00 20.54 C ATOM 1094 O GLU A 73 -4.188 12.875 -31.367 1.00 31.04 O ATOM 1095 CB GLU A 73 -1.152 13.601 -31.468 1.00 33.01 C ATOM 1096 CG GLU A 73 -1.619 13.022 -32.793 1.00 44.11 C ATOM 1097 CD GLU A 73 -0.521 13.001 -33.839 1.00 50.42 C ATOM 1098 OE1 GLU A 73 0.269 13.967 -33.890 1.00 51.03 O ATOM 1099 OE2 GLU A 73 -0.452 12.018 -34.607 1.00 14.53 O ATOM 0 H GLU A 73 -2.263 11.210 -30.671 1.00 24.32 H new ATOM 0 HA GLU A 73 -1.777 13.855 -29.427 1.00 24.23 H new ATOM 0 HB2 GLU A 73 -1.077 14.684 -31.561 1.00 33.01 H new ATOM 0 HB3 GLU A 73 -0.151 13.229 -31.251 1.00 33.01 H new ATOM 0 HG2 GLU A 73 -1.983 12.007 -32.634 1.00 44.11 H new ATOM 0 HG3 GLU A 73 -2.459 13.608 -33.165 1.00 44.11 H new ATOM 1106 N VAL A 74 -3.986 14.748 -30.137 1.00 4.34 N ATOM 1107 CA VAL A 74 -5.347 15.198 -30.398 1.00 55.53 C ATOM 1108 C VAL A 74 -5.369 16.658 -30.840 1.00 24.52 C ATOM 1109 O VAL A 74 -4.755 17.517 -30.207 1.00 52.13 O ATOM 1110 CB VAL A 74 -6.241 15.037 -29.154 1.00 61.01 C ATOM 1111 CG1 VAL A 74 -7.583 15.721 -29.367 1.00 45.14 C ATOM 1112 CG2 VAL A 74 -6.431 13.565 -28.822 1.00 64.54 C ATOM 0 H VAL A 74 -3.443 15.371 -29.539 1.00 4.34 H new ATOM 0 HA VAL A 74 -5.738 14.572 -31.200 1.00 55.53 H new ATOM 0 HB VAL A 74 -5.747 15.516 -28.309 1.00 61.01 H new ATOM 0 HG11 VAL A 74 -8.200 15.596 -28.477 1.00 45.14 H new ATOM 0 HG12 VAL A 74 -7.425 16.783 -29.553 1.00 45.14 H new ATOM 0 HG13 VAL A 74 -8.087 15.274 -30.224 1.00 45.14 H new ATOM 0 HG21 VAL A 74 -7.065 13.470 -27.941 1.00 64.54 H new ATOM 0 HG22 VAL A 74 -6.903 13.060 -29.665 1.00 64.54 H new ATOM 0 HG23 VAL A 74 -5.461 13.109 -28.622 1.00 64.54 H new ATOM 1122 N SER A 75 -6.079 16.930 -31.929 1.00 55.23 N ATOM 1123 CA SER A 75 -6.178 18.285 -32.458 1.00 54.52 C ATOM 1124 C SER A 75 -7.594 18.831 -32.293 1.00 63.14 C ATOM 1125 O SER A 75 -8.575 18.128 -32.536 1.00 63.33 O ATOM 1126 CB SER A 75 -5.779 18.310 -33.935 1.00 20.12 C ATOM 1127 OG SER A 75 -5.652 19.640 -34.407 1.00 24.12 O ATOM 0 H SER A 75 -6.595 16.230 -32.463 1.00 55.23 H new ATOM 0 HA SER A 75 -5.494 18.919 -31.894 1.00 54.52 H new ATOM 0 HB2 SER A 75 -4.835 17.782 -34.069 1.00 20.12 H new ATOM 0 HB3 SER A 75 -6.527 17.781 -34.526 1.00 20.12 H new ATOM 0 HG SER A 75 -5.395 19.628 -35.353 1.00 24.12 H new ATOM 1133 N PHE A 76 -7.691 20.090 -31.879 1.00 33.33 N ATOM 1134 CA PHE A 76 -8.986 20.731 -31.680 1.00 22.11 C ATOM 1135 C PHE A 76 -8.860 22.249 -31.770 1.00 74.01 C ATOM 1136 O PHE A 76 -7.755 22.789 -31.824 1.00 55.25 O ATOM 1137 CB PHE A 76 -9.571 20.336 -30.322 1.00 53.05 C ATOM 1138 CG PHE A 76 -8.555 20.308 -29.217 1.00 12.34 C ATOM 1139 CD1 PHE A 76 -7.700 19.228 -29.071 1.00 44.11 C ATOM 1140 CD2 PHE A 76 -8.455 21.362 -28.323 1.00 53.41 C ATOM 1141 CE1 PHE A 76 -6.764 19.200 -28.054 1.00 34.21 C ATOM 1142 CE2 PHE A 76 -7.522 21.340 -27.304 1.00 63.20 C ATOM 1143 CZ PHE A 76 -6.674 20.257 -27.170 1.00 54.41 C ATOM 0 H PHE A 76 -6.889 20.686 -31.675 1.00 33.33 H new ATOM 0 HA PHE A 76 -9.657 20.392 -32.469 1.00 22.11 H new ATOM 0 HB2 PHE A 76 -10.363 21.037 -30.059 1.00 53.05 H new ATOM 0 HB3 PHE A 76 -10.032 19.352 -30.406 1.00 53.05 H new ATOM 0 HD1 PHE A 76 -7.765 18.398 -29.759 1.00 44.11 H new ATOM 0 HD2 PHE A 76 -9.115 22.211 -28.424 1.00 53.41 H new ATOM 0 HE1 PHE A 76 -6.103 18.352 -27.951 1.00 34.21 H new ATOM 0 HE2 PHE A 76 -7.456 22.168 -26.613 1.00 63.20 H new ATOM 0 HZ PHE A 76 -5.943 20.237 -26.376 1.00 54.41 H new ATOM 1153 N ASP A 77 -10.000 22.931 -31.786 1.00 75.32 N ATOM 1154 CA ASP A 77 -10.020 24.386 -31.869 1.00 43.54 C ATOM 1155 C ASP A 77 -10.626 24.995 -30.609 1.00 35.21 C ATOM 1156 O ASP A 77 -11.487 24.391 -29.968 1.00 11.41 O ATOM 1157 CB ASP A 77 -10.809 24.838 -33.099 1.00 62.14 C ATOM 1158 CG ASP A 77 -9.987 24.769 -34.372 1.00 33.13 C ATOM 1159 OD1 ASP A 77 -9.074 25.605 -34.535 1.00 1.23 O ATOM 1160 OD2 ASP A 77 -10.257 23.878 -35.204 1.00 51.20 O ATOM 0 H ASP A 77 -10.923 22.499 -31.743 1.00 75.32 H new ATOM 0 HA ASP A 77 -8.991 24.733 -31.959 1.00 43.54 H new ATOM 0 HB2 ASP A 77 -11.696 24.213 -33.208 1.00 62.14 H new ATOM 0 HB3 ASP A 77 -11.156 25.860 -32.949 1.00 62.14 H new ATOM 1165 N VAL A 78 -10.171 26.193 -30.258 1.00 52.51 N ATOM 1166 CA VAL A 78 -10.669 26.884 -29.074 1.00 61.13 C ATOM 1167 C VAL A 78 -11.303 28.220 -29.443 1.00 41.44 C ATOM 1168 O VAL A 78 -10.790 28.950 -30.294 1.00 32.54 O ATOM 1169 CB VAL A 78 -9.543 27.127 -28.052 1.00 12.23 C ATOM 1170 CG1 VAL A 78 -8.552 28.151 -28.582 1.00 43.43 C ATOM 1171 CG2 VAL A 78 -10.123 27.575 -26.718 1.00 42.04 C ATOM 0 H VAL A 78 -9.458 26.706 -30.777 1.00 52.51 H new ATOM 0 HA VAL A 78 -11.424 26.239 -28.625 1.00 61.13 H new ATOM 0 HB VAL A 78 -9.010 26.189 -27.895 1.00 12.23 H new ATOM 0 HG11 VAL A 78 -7.764 28.309 -27.846 1.00 43.43 H new ATOM 0 HG12 VAL A 78 -8.113 27.786 -29.511 1.00 43.43 H new ATOM 0 HG13 VAL A 78 -9.067 29.093 -28.770 1.00 43.43 H new ATOM 0 HG21 VAL A 78 -9.314 27.742 -26.007 1.00 42.04 H new ATOM 0 HG22 VAL A 78 -10.681 28.501 -26.857 1.00 42.04 H new ATOM 0 HG23 VAL A 78 -10.790 26.803 -26.334 1.00 42.04 H new ATOM 1181 N LEU A 79 -12.421 28.537 -28.799 1.00 25.31 N ATOM 1182 CA LEU A 79 -13.126 29.787 -29.059 1.00 3.05 C ATOM 1183 C LEU A 79 -13.646 30.398 -27.761 1.00 41.34 C ATOM 1184 O LEU A 79 -14.356 29.746 -26.996 1.00 71.23 O ATOM 1185 CB LEU A 79 -14.287 29.549 -30.025 1.00 51.23 C ATOM 1186 CG LEU A 79 -14.678 30.734 -30.910 1.00 24.04 C ATOM 1187 CD1 LEU A 79 -15.141 31.906 -30.058 1.00 73.42 C ATOM 1188 CD2 LEU A 79 -13.511 31.145 -31.796 1.00 0.20 C ATOM 0 H LEU A 79 -12.859 27.945 -28.093 1.00 25.31 H new ATOM 0 HA LEU A 79 -12.422 30.486 -29.512 1.00 3.05 H new ATOM 0 HB2 LEU A 79 -14.030 28.709 -30.670 1.00 51.23 H new ATOM 0 HB3 LEU A 79 -15.160 29.251 -29.445 1.00 51.23 H new ATOM 0 HG LEU A 79 -15.505 30.428 -31.551 1.00 24.04 H new ATOM 0 HD11 LEU A 79 -15.415 32.740 -30.704 1.00 73.42 H new ATOM 0 HD12 LEU A 79 -16.006 31.606 -29.466 1.00 73.42 H new ATOM 0 HD13 LEU A 79 -14.334 32.213 -29.392 1.00 73.42 H new ATOM 0 HD21 LEU A 79 -13.807 31.989 -32.419 1.00 0.20 H new ATOM 0 HD22 LEU A 79 -12.665 31.433 -31.172 1.00 0.20 H new ATOM 0 HD23 LEU A 79 -13.225 30.308 -32.432 1.00 0.20 H new ATOM 1200 N VAL A 80 -13.289 31.656 -27.521 1.00 50.11 N ATOM 1201 CA VAL A 80 -13.722 32.357 -26.318 1.00 53.24 C ATOM 1202 C VAL A 80 -14.931 33.241 -26.603 1.00 53.21 C ATOM 1203 O VAL A 80 -14.979 33.938 -27.617 1.00 2.03 O ATOM 1204 CB VAL A 80 -12.591 33.225 -25.736 1.00 41.35 C ATOM 1205 CG1 VAL A 80 -12.305 34.410 -26.647 1.00 24.13 C ATOM 1206 CG2 VAL A 80 -12.947 33.694 -24.334 1.00 13.11 C ATOM 0 H VAL A 80 -12.701 32.210 -28.144 1.00 50.11 H new ATOM 0 HA VAL A 80 -13.996 31.595 -25.589 1.00 53.24 H new ATOM 0 HB VAL A 80 -11.687 32.619 -25.673 1.00 41.35 H new ATOM 0 HG11 VAL A 80 -11.503 35.012 -26.220 1.00 24.13 H new ATOM 0 HG12 VAL A 80 -12.003 34.049 -27.630 1.00 24.13 H new ATOM 0 HG13 VAL A 80 -13.204 35.019 -26.745 1.00 24.13 H new ATOM 0 HG21 VAL A 80 -12.136 34.306 -23.938 1.00 13.11 H new ATOM 0 HG22 VAL A 80 -13.863 34.284 -24.369 1.00 13.11 H new ATOM 0 HG23 VAL A 80 -13.097 32.829 -23.688 1.00 13.11 H new ATOM 1216 N SER A 81 -15.907 33.208 -25.701 1.00 52.13 N ATOM 1217 CA SER A 81 -17.119 34.004 -25.857 1.00 11.12 C ATOM 1218 C SER A 81 -17.041 35.281 -25.025 1.00 21.30 C ATOM 1219 O SER A 81 -16.255 35.392 -24.084 1.00 21.31 O ATOM 1220 CB SER A 81 -18.347 33.189 -25.446 1.00 65.50 C ATOM 1221 OG SER A 81 -17.979 32.092 -24.628 1.00 34.55 O ATOM 0 H SER A 81 -15.882 32.639 -24.855 1.00 52.13 H new ATOM 0 HA SER A 81 -17.210 34.280 -26.908 1.00 11.12 H new ATOM 0 HB2 SER A 81 -19.049 33.828 -24.910 1.00 65.50 H new ATOM 0 HB3 SER A 81 -18.862 32.827 -26.336 1.00 65.50 H new ATOM 0 HG SER A 81 -18.781 31.588 -24.377 1.00 34.55 H new ATOM 1227 N PRO A 82 -17.876 36.269 -25.379 1.00 63.25 N ATOM 1228 CA PRO A 82 -17.922 37.556 -24.679 1.00 64.21 C ATOM 1229 C PRO A 82 -18.507 37.432 -23.277 1.00 30.04 C ATOM 1230 O PRO A 82 -19.559 36.822 -23.083 1.00 1.10 O ATOM 1231 CB PRO A 82 -18.832 38.410 -25.565 1.00 73.52 C ATOM 1232 CG PRO A 82 -19.692 37.427 -26.283 1.00 22.00 C ATOM 1233 CD PRO A 82 -18.840 36.206 -26.491 1.00 24.40 C ATOM 0 HA PRO A 82 -16.927 37.978 -24.535 1.00 64.21 H new ATOM 0 HB2 PRO A 82 -19.431 39.099 -24.970 1.00 73.52 H new ATOM 0 HB3 PRO A 82 -18.252 39.013 -26.263 1.00 73.52 H new ATOM 0 HG2 PRO A 82 -20.581 37.188 -25.700 1.00 22.00 H new ATOM 0 HG3 PRO A 82 -20.035 37.831 -27.236 1.00 22.00 H new ATOM 0 HD2 PRO A 82 -19.433 35.292 -26.458 1.00 24.40 H new ATOM 0 HD3 PRO A 82 -18.339 36.226 -27.459 1.00 24.40 H new