USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 541 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 54 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 58 ASN : amide:sc= -0.866 K(o=-0.87,f=-0.0034) USER MOD Set 2.1: A 26 HIS : no HD1:sc= 0.907 K(o=0.92,f=-10!) USER MOD Set 2.2: A 60 THR OG1 : rot 69:sc= 0.0116 USER MOD Set 3.1: A 4 MET CE :methyl -156:sc= -0.236 (180deg=-0.915) USER MOD Set 3.2: A 47 SER OG : rot 130:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 110:sc= 1.22 USER MOD Single : A 3 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.28) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.745 K(o=-0.75,f=-3.4!) USER MOD Single : A 13 ASN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.747 K(o=-0.75,f=-8.8!) USER MOD Single : A 25 GLN : amide:sc= -0.0781 X(o=-0.078,f=-0.051) USER MOD Single : A 27 SER OG : rot 85:sc= 1.23 USER MOD Single : A 43 HIS : no HE2:sc= -1.27! K(o=-1.3!,f=-0.65) USER MOD Single : A 51 CYS SG : rot 108:sc= 0.795 USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.13) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.484) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -175:sc= 0 (180deg=-0.0413) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.111 16.027 -32.168 1.00 31.20 N ATOM 2 CA GLY A 1 23.577 17.026 -33.121 1.00 10.23 C ATOM 3 C GLY A 1 22.085 17.192 -32.971 1.00 51.44 C ATOM 4 O GLY A 1 21.317 16.800 -33.853 1.00 41.30 O ATOM 0 H1 GLY A 1 25.139 15.938 -32.298 1.00 31.20 H new ATOM 0 H2 GLY A 1 23.911 16.334 -31.195 1.00 31.20 H new ATOM 0 H3 GLY A 1 23.659 15.106 -32.341 1.00 31.20 H new ATOM 0 HA2 GLY A 1 24.069 17.985 -32.958 1.00 10.23 H new ATOM 0 HA3 GLY A 1 23.809 16.718 -34.140 1.00 10.23 H new ATOM 10 N SER A 2 21.669 17.766 -31.850 1.00 44.31 N ATOM 11 CA SER A 2 20.257 17.943 -31.562 1.00 51.41 C ATOM 12 C SER A 2 19.644 19.011 -32.465 1.00 3.41 C ATOM 13 O SER A 2 19.663 20.203 -32.152 1.00 33.54 O ATOM 14 CB SER A 2 20.064 18.307 -30.089 1.00 75.52 C ATOM 15 OG SER A 2 20.679 17.343 -29.244 1.00 2.30 O ATOM 0 H SER A 2 22.294 18.117 -31.124 1.00 44.31 H new ATOM 0 HA SER A 2 19.744 17.002 -31.762 1.00 51.41 H new ATOM 0 HB2 SER A 2 20.490 19.291 -29.895 1.00 75.52 H new ATOM 0 HB3 SER A 2 19.000 18.369 -29.862 1.00 75.52 H new ATOM 0 HG SER A 2 21.462 17.741 -28.809 1.00 2.30 H new ATOM 21 N HIS A 3 19.131 18.576 -33.607 1.00 30.40 N ATOM 22 CA HIS A 3 18.467 19.478 -34.538 1.00 72.41 C ATOM 23 C HIS A 3 17.052 19.770 -34.052 1.00 50.22 C ATOM 24 O HIS A 3 16.351 18.873 -33.577 1.00 32.52 O ATOM 25 CB HIS A 3 18.456 18.895 -35.962 1.00 44.24 C ATOM 26 CG HIS A 3 17.893 17.507 -36.069 1.00 22.24 C ATOM 27 ND1 HIS A 3 18.683 16.378 -36.128 1.00 21.41 N ATOM 28 CD2 HIS A 3 16.613 17.069 -36.138 1.00 61.01 C ATOM 29 CE1 HIS A 3 17.915 15.311 -36.230 1.00 61.52 C ATOM 30 NE2 HIS A 3 16.656 15.702 -36.239 1.00 75.34 N ATOM 0 H HIS A 3 19.162 17.603 -33.912 1.00 30.40 H new ATOM 0 HA HIS A 3 19.024 20.414 -34.576 1.00 72.41 H new ATOM 0 HB2 HIS A 3 17.878 19.557 -36.606 1.00 44.24 H new ATOM 0 HB3 HIS A 3 19.476 18.889 -36.345 1.00 44.24 H new ATOM 0 HD2 HIS A 3 15.724 17.682 -36.117 1.00 61.01 H new ATOM 0 HE1 HIS A 3 18.259 14.289 -36.295 1.00 61.52 H new ATOM 0 HE2 HIS A 3 15.845 15.087 -36.310 1.00 75.34 H new ATOM 39 N MET A 4 16.638 21.022 -34.155 1.00 3.32 N ATOM 40 CA MET A 4 15.347 21.429 -33.626 1.00 2.41 C ATOM 41 C MET A 4 14.673 22.449 -34.532 1.00 55.24 C ATOM 42 O MET A 4 15.309 23.049 -35.402 1.00 31.15 O ATOM 43 CB MET A 4 15.502 22.015 -32.218 1.00 71.04 C ATOM 44 CG MET A 4 16.368 23.266 -32.174 1.00 71.13 C ATOM 45 SD MET A 4 16.441 24.010 -30.533 1.00 63.41 S ATOM 46 CE MET A 4 14.715 24.406 -30.264 1.00 35.41 C ATOM 0 H MET A 4 17.173 21.770 -34.597 1.00 3.32 H new ATOM 0 HA MET A 4 14.718 20.540 -33.579 1.00 2.41 H new ATOM 0 HB2 MET A 4 14.515 22.252 -31.821 1.00 71.04 H new ATOM 0 HB3 MET A 4 15.936 21.259 -31.564 1.00 71.04 H new ATOM 0 HG2 MET A 4 17.378 23.015 -32.499 1.00 71.13 H new ATOM 0 HG3 MET A 4 15.978 23.997 -32.882 1.00 71.13 H new ATOM 0 HE1 MET A 4 14.636 25.217 -29.540 1.00 35.41 H new ATOM 0 HE2 MET A 4 14.262 24.715 -31.206 1.00 35.41 H new ATOM 0 HE3 MET A 4 14.195 23.527 -29.883 1.00 35.41 H new ATOM 56 N SER A 5 13.383 22.635 -34.310 1.00 72.44 N ATOM 57 CA SER A 5 12.601 23.620 -35.033 1.00 62.14 C ATOM 58 C SER A 5 11.766 24.418 -34.040 1.00 41.42 C ATOM 59 O SER A 5 11.222 23.857 -33.089 1.00 73.33 O ATOM 60 CB SER A 5 11.698 22.930 -36.061 1.00 23.11 C ATOM 61 OG SER A 5 10.991 23.876 -36.848 1.00 55.22 O ATOM 0 H SER A 5 12.848 22.105 -33.621 1.00 72.44 H new ATOM 0 HA SER A 5 13.269 24.295 -35.568 1.00 62.14 H new ATOM 0 HB2 SER A 5 12.302 22.294 -36.709 1.00 23.11 H new ATOM 0 HB3 SER A 5 10.990 22.280 -35.547 1.00 23.11 H new ATOM 0 HG SER A 5 10.425 23.405 -37.495 1.00 55.22 H new ATOM 67 N THR A 6 11.691 25.721 -34.240 1.00 40.04 N ATOM 68 CA THR A 6 10.926 26.581 -33.355 1.00 24.21 C ATOM 69 C THR A 6 9.536 26.830 -33.928 1.00 14.44 C ATOM 70 O THR A 6 9.388 27.105 -35.120 1.00 35.34 O ATOM 71 CB THR A 6 11.657 27.920 -33.143 1.00 73.13 C ATOM 72 OG1 THR A 6 13.008 27.662 -32.732 1.00 12.14 O ATOM 73 CG2 THR A 6 10.961 28.774 -32.091 1.00 54.50 C ATOM 0 H THR A 6 12.151 26.208 -35.009 1.00 40.04 H new ATOM 0 HA THR A 6 10.824 26.081 -32.392 1.00 24.21 H new ATOM 0 HB THR A 6 11.646 28.468 -34.085 1.00 73.13 H new ATOM 0 HG1 THR A 6 13.477 28.512 -32.598 1.00 12.14 H new ATOM 0 HG21 THR A 6 11.503 29.711 -31.966 1.00 54.50 H new ATOM 0 HG22 THR A 6 9.940 28.985 -32.410 1.00 54.50 H new ATOM 0 HG23 THR A 6 10.941 28.238 -31.142 1.00 54.50 H new ATOM 81 N ASN A 7 8.515 26.712 -33.090 1.00 21.12 N ATOM 82 CA ASN A 7 7.157 26.975 -33.531 1.00 5.45 C ATOM 83 C ASN A 7 6.890 28.477 -33.496 1.00 71.11 C ATOM 84 O ASN A 7 7.269 29.158 -32.545 1.00 71.44 O ATOM 85 CB ASN A 7 6.127 26.204 -32.686 1.00 2.25 C ATOM 86 CG ASN A 7 6.119 26.600 -31.220 1.00 64.14 C ATOM 87 OD1 ASN A 7 5.417 27.527 -30.821 1.00 33.10 O ATOM 88 ND2 ASN A 7 6.867 25.876 -30.401 1.00 14.13 N ATOM 0 H ASN A 7 8.602 26.439 -32.111 1.00 21.12 H new ATOM 0 HA ASN A 7 7.050 26.621 -34.556 1.00 5.45 H new ATOM 0 HB2 ASN A 7 5.133 26.368 -33.103 1.00 2.25 H new ATOM 0 HB3 ASN A 7 6.333 25.136 -32.763 1.00 2.25 H new ATOM 0 HD21 ASN A 7 6.873 26.080 -29.402 1.00 14.13 H new ATOM 0 HD22 ASN A 7 7.437 25.114 -30.770 1.00 14.13 H new ATOM 95 N PRO A 8 6.248 29.016 -34.543 1.00 32.14 N ATOM 96 CA PRO A 8 6.047 30.462 -34.696 1.00 3.51 C ATOM 97 C PRO A 8 4.887 31.006 -33.859 1.00 72.03 C ATOM 98 O PRO A 8 4.322 32.056 -34.172 1.00 13.12 O ATOM 99 CB PRO A 8 5.736 30.596 -36.185 1.00 60.32 C ATOM 100 CG PRO A 8 5.044 29.326 -36.534 1.00 2.35 C ATOM 101 CD PRO A 8 5.673 28.260 -35.673 1.00 35.24 C ATOM 0 HA PRO A 8 6.913 31.031 -34.356 1.00 3.51 H new ATOM 0 HB2 PRO A 8 5.103 31.461 -36.382 1.00 60.32 H new ATOM 0 HB3 PRO A 8 6.646 30.727 -36.771 1.00 60.32 H new ATOM 0 HG2 PRO A 8 3.973 29.400 -36.344 1.00 2.35 H new ATOM 0 HG3 PRO A 8 5.164 29.094 -37.592 1.00 2.35 H new ATOM 0 HD2 PRO A 8 4.935 27.533 -35.334 1.00 35.24 H new ATOM 0 HD3 PRO A 8 6.440 27.707 -36.216 1.00 35.24 H new ATOM 109 N PHE A 9 4.538 30.299 -32.797 1.00 64.42 N ATOM 110 CA PHE A 9 3.478 30.746 -31.914 1.00 65.22 C ATOM 111 C PHE A 9 4.014 31.764 -30.921 1.00 52.40 C ATOM 112 O PHE A 9 5.115 31.610 -30.387 1.00 1.13 O ATOM 113 CB PHE A 9 2.854 29.569 -31.169 1.00 74.45 C ATOM 114 CG PHE A 9 2.075 28.639 -32.054 1.00 53.32 C ATOM 115 CD1 PHE A 9 0.834 29.011 -32.537 1.00 55.12 C ATOM 116 CD2 PHE A 9 2.584 27.401 -32.408 1.00 14.23 C ATOM 117 CE1 PHE A 9 0.109 28.163 -33.352 1.00 3.35 C ATOM 118 CE2 PHE A 9 1.866 26.549 -33.223 1.00 51.32 C ATOM 119 CZ PHE A 9 0.626 26.929 -33.696 1.00 24.54 C ATOM 0 H PHE A 9 4.972 29.416 -32.527 1.00 64.42 H new ATOM 0 HA PHE A 9 2.706 31.215 -32.524 1.00 65.22 H new ATOM 0 HB2 PHE A 9 3.643 29.006 -30.671 1.00 74.45 H new ATOM 0 HB3 PHE A 9 2.195 29.952 -30.390 1.00 74.45 H new ATOM 0 HD1 PHE A 9 0.426 29.976 -32.274 1.00 55.12 H new ATOM 0 HD2 PHE A 9 3.554 27.098 -32.042 1.00 14.23 H new ATOM 0 HE1 PHE A 9 -0.861 28.464 -33.720 1.00 3.35 H new ATOM 0 HE2 PHE A 9 2.274 25.586 -33.490 1.00 51.32 H new ATOM 0 HZ PHE A 9 0.062 26.264 -34.333 1.00 24.54 H new ATOM 129 N ASP A 10 3.233 32.803 -30.677 1.00 53.22 N ATOM 130 CA ASP A 10 3.630 33.845 -29.742 1.00 14.33 C ATOM 131 C ASP A 10 3.106 33.524 -28.346 1.00 73.42 C ATOM 132 O ASP A 10 3.177 34.352 -27.439 1.00 2.11 O ATOM 133 CB ASP A 10 3.117 35.214 -30.198 1.00 13.04 C ATOM 134 CG ASP A 10 1.635 35.399 -29.960 1.00 73.13 C ATOM 135 OD1 ASP A 10 0.830 34.849 -30.737 1.00 30.21 O ATOM 136 OD2 ASP A 10 1.267 36.105 -28.999 1.00 23.45 O ATOM 0 H ASP A 10 2.322 32.948 -31.112 1.00 53.22 H new ATOM 0 HA ASP A 10 4.719 33.882 -29.713 1.00 14.33 H new ATOM 0 HB2 ASP A 10 3.664 35.995 -29.670 1.00 13.04 H new ATOM 0 HB3 ASP A 10 3.327 35.339 -31.260 1.00 13.04 H new ATOM 141 N ASP A 11 2.580 32.312 -28.185 1.00 31.23 N ATOM 142 CA ASP A 11 2.114 31.845 -26.882 1.00 35.51 C ATOM 143 C ASP A 11 3.313 31.522 -26.008 1.00 71.44 C ATOM 144 O ASP A 11 3.700 30.362 -25.863 1.00 54.05 O ATOM 145 CB ASP A 11 1.225 30.600 -27.008 1.00 61.34 C ATOM 146 CG ASP A 11 0.065 30.788 -27.960 1.00 53.53 C ATOM 147 OD1 ASP A 11 -0.721 31.740 -27.771 1.00 3.52 O ATOM 148 OD2 ASP A 11 -0.068 29.974 -28.899 1.00 42.35 O ATOM 0 H ASP A 11 2.466 31.636 -28.940 1.00 31.23 H new ATOM 0 HA ASP A 11 1.517 32.639 -26.433 1.00 35.51 H new ATOM 0 HB2 ASP A 11 1.832 29.761 -27.347 1.00 61.34 H new ATOM 0 HB3 ASP A 11 0.839 30.336 -26.023 1.00 61.34 H new ATOM 153 N ASP A 12 3.917 32.558 -25.462 1.00 65.11 N ATOM 154 CA ASP A 12 5.148 32.418 -24.708 1.00 24.13 C ATOM 155 C ASP A 12 4.854 32.093 -23.251 1.00 30.20 C ATOM 156 O ASP A 12 4.583 32.986 -22.444 1.00 73.51 O ATOM 157 CB ASP A 12 5.969 33.700 -24.822 1.00 60.44 C ATOM 158 CG ASP A 12 7.357 33.565 -24.237 1.00 73.13 C ATOM 159 OD1 ASP A 12 8.203 32.896 -24.862 1.00 41.33 O ATOM 160 OD2 ASP A 12 7.611 34.147 -23.161 1.00 30.44 O ATOM 0 H ASP A 12 3.572 33.516 -25.527 1.00 65.11 H new ATOM 0 HA ASP A 12 5.725 31.591 -25.123 1.00 24.13 H new ATOM 0 HB2 ASP A 12 6.049 33.982 -25.872 1.00 60.44 H new ATOM 0 HB3 ASP A 12 5.443 34.508 -24.314 1.00 60.44 H new ATOM 165 N ASN A 13 4.875 30.806 -22.932 1.00 24.34 N ATOM 166 CA ASN A 13 4.624 30.340 -21.573 1.00 3.22 C ATOM 167 C ASN A 13 5.178 28.933 -21.379 1.00 11.43 C ATOM 168 O ASN A 13 4.580 27.954 -21.831 1.00 23.33 O ATOM 169 CB ASN A 13 3.120 30.359 -21.262 1.00 25.12 C ATOM 170 CG ASN A 13 2.801 29.852 -19.864 1.00 32.43 C ATOM 171 OD1 ASN A 13 2.825 30.611 -18.900 1.00 55.12 O ATOM 172 ND2 ASN A 13 2.485 28.570 -19.746 1.00 12.21 N ATOM 0 H ASN A 13 5.065 30.060 -23.601 1.00 24.34 H new ATOM 0 HA ASN A 13 5.131 31.016 -20.885 1.00 3.22 H new ATOM 0 HB2 ASN A 13 2.744 31.377 -21.369 1.00 25.12 H new ATOM 0 HB3 ASN A 13 2.594 29.746 -21.994 1.00 25.12 H new ATOM 0 HD21 ASN A 13 2.251 28.184 -18.831 1.00 12.21 H new ATOM 0 HD22 ASN A 13 2.476 27.969 -20.570 1.00 12.21 H new ATOM 179 N GLY A 14 6.332 28.839 -20.736 1.00 51.13 N ATOM 180 CA GLY A 14 6.920 27.546 -20.450 1.00 21.14 C ATOM 181 C GLY A 14 8.327 27.667 -19.929 1.00 35.24 C ATOM 182 O GLY A 14 9.298 27.535 -20.671 1.00 24.13 O ATOM 0 H GLY A 14 6.874 29.638 -20.406 1.00 51.13 H new ATOM 0 HA2 GLY A 14 6.306 27.023 -19.717 1.00 21.14 H new ATOM 0 HA3 GLY A 14 6.920 26.940 -21.356 1.00 21.14 H new ATOM 186 N ALA A 15 8.427 27.914 -18.643 1.00 10.03 N ATOM 187 CA ALA A 15 9.713 28.117 -17.999 1.00 40.42 C ATOM 188 C ALA A 15 10.115 26.896 -17.180 1.00 10.11 C ATOM 189 O ALA A 15 9.412 26.483 -16.253 1.00 53.33 O ATOM 190 CB ALA A 15 9.683 29.368 -17.134 1.00 42.14 C ATOM 0 H ALA A 15 7.627 27.980 -18.014 1.00 10.03 H new ATOM 0 HA ALA A 15 10.465 28.256 -18.776 1.00 40.42 H new ATOM 0 HB1 ALA A 15 10.654 29.505 -16.659 1.00 42.14 H new ATOM 0 HB2 ALA A 15 9.457 30.235 -17.755 1.00 42.14 H new ATOM 0 HB3 ALA A 15 8.916 29.262 -16.367 1.00 42.14 H new ATOM 196 N PHE A 16 11.241 26.322 -17.554 1.00 2.14 N ATOM 197 CA PHE A 16 11.795 25.149 -16.893 1.00 60.34 C ATOM 198 C PHE A 16 13.279 25.374 -16.628 1.00 23.33 C ATOM 199 O PHE A 16 13.959 26.032 -17.414 1.00 2.33 O ATOM 200 CB PHE A 16 11.586 23.908 -17.776 1.00 41.43 C ATOM 201 CG PHE A 16 11.562 24.239 -19.235 1.00 42.52 C ATOM 202 CD1 PHE A 16 12.677 24.771 -19.838 1.00 52.44 C ATOM 203 CD2 PHE A 16 10.417 24.057 -19.991 1.00 61.53 C ATOM 204 CE1 PHE A 16 12.665 25.120 -21.159 1.00 24.33 C ATOM 205 CE2 PHE A 16 10.396 24.399 -21.330 1.00 23.23 C ATOM 206 CZ PHE A 16 11.526 24.936 -21.916 1.00 4.31 C ATOM 0 H PHE A 16 11.806 26.658 -18.334 1.00 2.14 H new ATOM 0 HA PHE A 16 11.287 24.987 -15.943 1.00 60.34 H new ATOM 0 HB2 PHE A 16 12.383 23.190 -17.583 1.00 41.43 H new ATOM 0 HB3 PHE A 16 10.649 23.424 -17.501 1.00 41.43 H new ATOM 0 HD1 PHE A 16 13.577 24.915 -19.258 1.00 52.44 H new ATOM 0 HD2 PHE A 16 9.532 23.644 -19.530 1.00 61.53 H new ATOM 0 HE1 PHE A 16 13.550 25.541 -21.612 1.00 24.33 H new ATOM 0 HE2 PHE A 16 9.501 24.247 -21.915 1.00 23.23 H new ATOM 0 HZ PHE A 16 11.518 25.210 -22.961 1.00 4.31 H new ATOM 216 N PHE A 17 13.775 24.848 -15.526 1.00 3.34 N ATOM 217 CA PHE A 17 15.170 25.036 -15.163 1.00 51.42 C ATOM 218 C PHE A 17 15.921 23.714 -15.181 1.00 72.30 C ATOM 219 O PHE A 17 15.315 22.638 -15.203 1.00 3.33 O ATOM 220 CB PHE A 17 15.297 25.645 -13.757 1.00 31.34 C ATOM 221 CG PHE A 17 15.066 27.131 -13.666 1.00 30.40 C ATOM 222 CD1 PHE A 17 14.100 27.760 -14.429 1.00 64.43 C ATOM 223 CD2 PHE A 17 15.824 27.897 -12.796 1.00 72.20 C ATOM 224 CE1 PHE A 17 13.893 29.123 -14.328 1.00 12.45 C ATOM 225 CE2 PHE A 17 15.621 29.259 -12.688 1.00 73.11 C ATOM 226 CZ PHE A 17 14.654 29.872 -13.456 1.00 52.41 C ATOM 0 H PHE A 17 13.236 24.288 -14.866 1.00 3.34 H new ATOM 0 HA PHE A 17 15.602 25.715 -15.899 1.00 51.42 H new ATOM 0 HB2 PHE A 17 14.587 25.144 -13.099 1.00 31.34 H new ATOM 0 HB3 PHE A 17 16.294 25.427 -13.375 1.00 31.34 H new ATOM 0 HD1 PHE A 17 13.499 27.179 -15.113 1.00 64.43 H new ATOM 0 HD2 PHE A 17 16.585 27.423 -12.194 1.00 72.20 H new ATOM 0 HE1 PHE A 17 13.136 29.601 -14.932 1.00 12.45 H new ATOM 0 HE2 PHE A 17 16.219 29.843 -12.003 1.00 73.11 H new ATOM 0 HZ PHE A 17 14.493 30.937 -13.375 1.00 52.41 H new ATOM 236 N VAL A 18 17.243 23.805 -15.163 1.00 4.01 N ATOM 237 CA VAL A 18 18.088 22.635 -15.007 1.00 72.22 C ATOM 238 C VAL A 18 18.421 22.457 -13.532 1.00 33.02 C ATOM 239 O VAL A 18 19.319 23.119 -12.992 1.00 72.11 O ATOM 240 CB VAL A 18 19.389 22.749 -15.831 1.00 32.12 C ATOM 241 CG1 VAL A 18 20.282 21.532 -15.617 1.00 55.43 C ATOM 242 CG2 VAL A 18 19.066 22.917 -17.309 1.00 12.33 C ATOM 0 H VAL A 18 17.754 24.683 -15.255 1.00 4.01 H new ATOM 0 HA VAL A 18 17.543 21.768 -15.380 1.00 72.22 H new ATOM 0 HB VAL A 18 19.931 23.630 -15.488 1.00 32.12 H new ATOM 0 HG11 VAL A 18 21.191 21.639 -16.209 1.00 55.43 H new ATOM 0 HG12 VAL A 18 20.544 21.454 -14.562 1.00 55.43 H new ATOM 0 HG13 VAL A 18 19.751 20.632 -15.927 1.00 55.43 H new ATOM 0 HG21 VAL A 18 19.993 22.996 -17.877 1.00 12.33 H new ATOM 0 HG22 VAL A 18 18.499 22.054 -17.658 1.00 12.33 H new ATOM 0 HG23 VAL A 18 18.475 23.821 -17.452 1.00 12.33 H new ATOM 252 N LEU A 19 17.673 21.586 -12.879 1.00 51.11 N ATOM 253 CA LEU A 19 17.781 21.413 -11.443 1.00 23.23 C ATOM 254 C LEU A 19 18.461 20.092 -11.109 1.00 33.24 C ATOM 255 O LEU A 19 18.085 19.040 -11.628 1.00 54.22 O ATOM 256 CB LEU A 19 16.387 21.463 -10.812 1.00 53.14 C ATOM 257 CG LEU A 19 16.358 21.621 -9.291 1.00 54.41 C ATOM 258 CD1 LEU A 19 16.932 22.970 -8.887 1.00 73.41 C ATOM 259 CD2 LEU A 19 14.942 21.462 -8.763 1.00 25.42 C ATOM 0 H LEU A 19 16.980 20.984 -13.324 1.00 51.11 H new ATOM 0 HA LEU A 19 18.389 22.222 -11.038 1.00 23.23 H new ATOM 0 HB2 LEU A 19 15.836 22.292 -11.256 1.00 53.14 H new ATOM 0 HB3 LEU A 19 15.855 20.549 -11.075 1.00 53.14 H new ATOM 0 HG LEU A 19 16.975 20.838 -8.851 1.00 54.41 H new ATOM 0 HD11 LEU A 19 16.904 23.067 -7.802 1.00 73.41 H new ATOM 0 HD12 LEU A 19 17.963 23.045 -9.232 1.00 73.41 H new ATOM 0 HD13 LEU A 19 16.340 23.767 -9.338 1.00 73.41 H new ATOM 0 HD21 LEU A 19 14.943 21.578 -7.679 1.00 25.42 H new ATOM 0 HD22 LEU A 19 14.300 22.222 -9.209 1.00 25.42 H new ATOM 0 HD23 LEU A 19 14.566 20.472 -9.022 1.00 25.42 H new ATOM 271 N VAL A 20 19.474 20.156 -10.262 1.00 54.31 N ATOM 272 CA VAL A 20 20.163 18.960 -9.807 1.00 1.04 C ATOM 273 C VAL A 20 19.948 18.769 -8.310 1.00 52.45 C ATOM 274 O VAL A 20 20.049 19.721 -7.533 1.00 22.12 O ATOM 275 CB VAL A 20 21.677 19.015 -10.119 1.00 31.22 C ATOM 276 CG1 VAL A 20 22.392 17.778 -9.588 1.00 65.21 C ATOM 277 CG2 VAL A 20 21.906 19.155 -11.617 1.00 44.44 C ATOM 0 H VAL A 20 19.839 21.026 -9.874 1.00 54.31 H new ATOM 0 HA VAL A 20 19.742 18.112 -10.347 1.00 1.04 H new ATOM 0 HB VAL A 20 22.093 19.889 -9.617 1.00 31.22 H new ATOM 0 HG11 VAL A 20 23.455 17.844 -9.822 1.00 65.21 H new ATOM 0 HG12 VAL A 20 22.261 17.718 -8.508 1.00 65.21 H new ATOM 0 HG13 VAL A 20 21.972 16.887 -10.055 1.00 65.21 H new ATOM 0 HG21 VAL A 20 22.976 19.192 -11.820 1.00 44.44 H new ATOM 0 HG22 VAL A 20 21.469 18.301 -12.133 1.00 44.44 H new ATOM 0 HG23 VAL A 20 21.437 20.073 -11.973 1.00 44.44 H new ATOM 287 N ASN A 21 19.631 17.545 -7.922 1.00 13.51 N ATOM 288 CA ASN A 21 19.397 17.202 -6.524 1.00 61.42 C ATOM 289 C ASN A 21 20.535 16.304 -6.050 1.00 15.32 C ATOM 290 O ASN A 21 21.191 15.661 -6.865 1.00 60.15 O ATOM 291 CB ASN A 21 18.028 16.501 -6.391 1.00 40.23 C ATOM 292 CG ASN A 21 17.521 16.357 -4.961 1.00 14.14 C ATOM 293 OD1 ASN A 21 18.283 16.170 -4.017 1.00 1.33 O ATOM 294 ND2 ASN A 21 16.212 16.439 -4.800 1.00 30.15 N ATOM 0 H ASN A 21 19.528 16.760 -8.565 1.00 13.51 H new ATOM 0 HA ASN A 21 19.375 18.097 -5.902 1.00 61.42 H new ATOM 0 HB2 ASN A 21 17.292 17.060 -6.968 1.00 40.23 H new ATOM 0 HB3 ASN A 21 18.098 15.510 -6.839 1.00 40.23 H new ATOM 0 HD21 ASN A 21 15.806 16.346 -3.869 1.00 30.15 H new ATOM 0 HD22 ASN A 21 15.608 16.595 -5.607 1.00 30.15 H new ATOM 301 N ASP A 22 20.787 16.274 -4.752 1.00 31.34 N ATOM 302 CA ASP A 22 21.874 15.472 -4.200 1.00 71.21 C ATOM 303 C ASP A 22 21.734 14.004 -4.589 1.00 5.13 C ATOM 304 O ASP A 22 22.722 13.333 -4.896 1.00 75.41 O ATOM 305 CB ASP A 22 21.904 15.587 -2.677 1.00 63.32 C ATOM 306 CG ASP A 22 23.050 14.806 -2.070 1.00 13.22 C ATOM 307 OD1 ASP A 22 24.186 15.325 -2.068 1.00 22.11 O ATOM 308 OD2 ASP A 22 22.828 13.672 -1.601 1.00 4.44 O ATOM 0 H ASP A 22 20.254 16.796 -4.057 1.00 31.34 H new ATOM 0 HA ASP A 22 22.806 15.857 -4.615 1.00 71.21 H new ATOM 0 HB2 ASP A 22 21.991 16.636 -2.395 1.00 63.32 H new ATOM 0 HB3 ASP A 22 20.961 15.224 -2.268 1.00 63.32 H new ATOM 313 N GLU A 23 20.500 13.519 -4.589 1.00 75.54 N ATOM 314 CA GLU A 23 20.229 12.122 -4.895 1.00 32.45 C ATOM 315 C GLU A 23 19.529 11.972 -6.245 1.00 53.52 C ATOM 316 O GLU A 23 18.892 10.951 -6.514 1.00 4.33 O ATOM 317 CB GLU A 23 19.381 11.500 -3.786 1.00 55.34 C ATOM 318 CG GLU A 23 18.105 12.270 -3.483 1.00 3.05 C ATOM 319 CD GLU A 23 17.270 11.607 -2.411 1.00 72.14 C ATOM 320 OE1 GLU A 23 16.427 10.750 -2.749 1.00 42.25 O ATOM 321 OE2 GLU A 23 17.457 11.926 -1.219 1.00 41.22 O ATOM 0 H GLU A 23 19.670 14.074 -4.380 1.00 75.54 H new ATOM 0 HA GLU A 23 21.183 11.598 -4.955 1.00 32.45 H new ATOM 0 HB2 GLU A 23 19.120 10.480 -4.070 1.00 55.34 H new ATOM 0 HB3 GLU A 23 19.979 11.435 -2.877 1.00 55.34 H new ATOM 0 HG2 GLU A 23 18.361 13.281 -3.166 1.00 3.05 H new ATOM 0 HG3 GLU A 23 17.514 12.361 -4.395 1.00 3.05 H new ATOM 328 N ASP A 24 19.660 12.984 -7.096 1.00 13.53 N ATOM 329 CA ASP A 24 19.061 12.955 -8.429 1.00 20.35 C ATOM 330 C ASP A 24 20.082 13.425 -9.455 1.00 53.33 C ATOM 331 O ASP A 24 20.741 14.444 -9.256 1.00 63.23 O ATOM 332 CB ASP A 24 17.813 13.836 -8.481 1.00 43.45 C ATOM 333 CG ASP A 24 17.083 13.742 -9.805 1.00 72.21 C ATOM 334 OD1 ASP A 24 17.394 14.527 -10.723 1.00 52.14 O ATOM 335 OD2 ASP A 24 16.175 12.890 -9.923 1.00 61.12 O ATOM 0 H ASP A 24 20.177 13.838 -6.887 1.00 13.53 H new ATOM 0 HA ASP A 24 18.762 11.932 -8.659 1.00 20.35 H new ATOM 0 HB2 ASP A 24 17.136 13.547 -7.677 1.00 43.45 H new ATOM 0 HB3 ASP A 24 18.098 14.873 -8.301 1.00 43.45 H new ATOM 340 N GLN A 25 20.221 12.690 -10.548 1.00 74.12 N ATOM 341 CA GLN A 25 21.290 12.967 -11.496 1.00 5.14 C ATOM 342 C GLN A 25 21.068 14.291 -12.222 1.00 61.33 C ATOM 343 O GLN A 25 21.958 15.143 -12.254 1.00 2.43 O ATOM 344 CB GLN A 25 21.403 11.833 -12.515 1.00 50.45 C ATOM 345 CG GLN A 25 21.793 10.492 -11.912 1.00 62.10 C ATOM 346 CD GLN A 25 23.168 10.517 -11.274 1.00 4.10 C ATOM 347 OE1 GLN A 25 24.177 10.286 -11.943 1.00 73.34 O ATOM 348 NE2 GLN A 25 23.221 10.769 -9.974 1.00 42.45 N ATOM 0 H GLN A 25 19.616 11.908 -10.799 1.00 74.12 H new ATOM 0 HA GLN A 25 22.219 13.041 -10.930 1.00 5.14 H new ATOM 0 HB2 GLN A 25 20.448 11.724 -13.029 1.00 50.45 H new ATOM 0 HB3 GLN A 25 22.141 12.109 -13.269 1.00 50.45 H new ATOM 0 HG2 GLN A 25 21.054 10.206 -11.163 1.00 62.10 H new ATOM 0 HG3 GLN A 25 21.771 9.728 -12.689 1.00 62.10 H new ATOM 0 HE21 GLN A 25 22.363 10.956 -9.455 1.00 42.45 H new ATOM 0 HE22 GLN A 25 24.120 10.776 -9.492 1.00 42.45 H new ATOM 357 N HIS A 26 19.900 14.453 -12.826 1.00 20.14 N ATOM 358 CA HIS A 26 19.551 15.703 -13.498 1.00 44.33 C ATOM 359 C HIS A 26 18.063 15.751 -13.820 1.00 25.54 C ATOM 360 O HIS A 26 17.532 14.828 -14.434 1.00 2.13 O ATOM 361 CB HIS A 26 20.393 15.907 -14.772 1.00 1.43 C ATOM 362 CG HIS A 26 20.417 14.734 -15.714 1.00 15.33 C ATOM 363 ND1 HIS A 26 21.417 13.784 -15.713 1.00 25.13 N ATOM 364 CD2 HIS A 26 19.577 14.386 -16.716 1.00 31.34 C ATOM 365 CE1 HIS A 26 21.189 12.909 -16.676 1.00 13.51 C ATOM 366 NE2 HIS A 26 20.080 13.252 -17.303 1.00 71.22 N ATOM 0 H HIS A 26 19.175 13.736 -12.866 1.00 20.14 H new ATOM 0 HA HIS A 26 19.778 16.521 -12.814 1.00 44.33 H new ATOM 0 HB2 HIS A 26 20.010 16.776 -15.307 1.00 1.43 H new ATOM 0 HB3 HIS A 26 21.417 16.139 -14.479 1.00 1.43 H new ATOM 0 HD2 HIS A 26 18.675 14.906 -17.002 1.00 31.34 H new ATOM 0 HE1 HIS A 26 21.807 12.055 -16.911 1.00 13.51 H new ATOM 0 HE2 HIS A 26 19.665 12.757 -18.093 1.00 71.22 H new ATOM 375 N SER A 27 17.392 16.824 -13.428 1.00 70.05 N ATOM 376 CA SER A 27 15.971 16.966 -13.703 1.00 44.25 C ATOM 377 C SER A 27 15.653 18.310 -14.359 1.00 53.24 C ATOM 378 O SER A 27 16.166 19.355 -13.953 1.00 54.43 O ATOM 379 CB SER A 27 15.165 16.819 -12.409 1.00 40.02 C ATOM 380 OG SER A 27 15.277 15.508 -11.882 1.00 42.35 O ATOM 0 H SER A 27 17.807 17.606 -12.921 1.00 70.05 H new ATOM 0 HA SER A 27 15.691 16.176 -14.400 1.00 44.25 H new ATOM 0 HB2 SER A 27 15.519 17.541 -11.673 1.00 40.02 H new ATOM 0 HB3 SER A 27 14.117 17.048 -12.602 1.00 40.02 H new ATOM 0 HG SER A 27 16.089 15.443 -11.337 1.00 42.35 H new ATOM 386 N LEU A 28 14.823 18.271 -15.395 1.00 62.10 N ATOM 387 CA LEU A 28 14.271 19.486 -15.975 1.00 50.32 C ATOM 388 C LEU A 28 13.046 19.897 -15.173 1.00 31.11 C ATOM 389 O LEU A 28 11.968 19.321 -15.322 1.00 61.20 O ATOM 390 CB LEU A 28 13.913 19.278 -17.453 1.00 53.12 C ATOM 391 CG LEU A 28 14.935 19.818 -18.460 1.00 43.24 C ATOM 392 CD1 LEU A 28 15.030 21.330 -18.353 1.00 11.32 C ATOM 393 CD2 LEU A 28 16.300 19.184 -18.245 1.00 22.11 C ATOM 0 H LEU A 28 14.518 17.410 -15.850 1.00 62.10 H new ATOM 0 HA LEU A 28 15.018 20.279 -15.933 1.00 50.32 H new ATOM 0 HB2 LEU A 28 13.782 18.211 -17.631 1.00 53.12 H new ATOM 0 HB3 LEU A 28 12.951 19.753 -17.647 1.00 53.12 H new ATOM 0 HG LEU A 28 14.596 19.557 -19.463 1.00 43.24 H new ATOM 0 HD11 LEU A 28 15.759 21.701 -19.073 1.00 11.32 H new ATOM 0 HD12 LEU A 28 14.056 21.772 -18.563 1.00 11.32 H new ATOM 0 HD13 LEU A 28 15.343 21.605 -17.346 1.00 11.32 H new ATOM 0 HD21 LEU A 28 17.006 19.585 -18.972 1.00 22.11 H new ATOM 0 HD22 LEU A 28 16.651 19.408 -17.238 1.00 22.11 H new ATOM 0 HD23 LEU A 28 16.223 18.104 -18.371 1.00 22.11 H new ATOM 405 N TRP A 29 13.229 20.880 -14.312 1.00 50.34 N ATOM 406 CA TRP A 29 12.222 21.236 -13.327 1.00 20.41 C ATOM 407 C TRP A 29 11.554 22.557 -13.693 1.00 32.24 C ATOM 408 O TRP A 29 12.208 23.597 -13.750 1.00 74.10 O ATOM 409 CB TRP A 29 12.882 21.325 -11.949 1.00 43.11 C ATOM 410 CG TRP A 29 11.912 21.415 -10.810 1.00 62.11 C ATOM 411 CD1 TRP A 29 11.526 22.544 -10.150 1.00 23.24 C ATOM 412 CD2 TRP A 29 11.219 20.329 -10.186 1.00 74.32 C ATOM 413 NE1 TRP A 29 10.624 22.229 -9.162 1.00 60.32 N ATOM 414 CE2 TRP A 29 10.422 20.875 -9.164 1.00 25.15 C ATOM 415 CE3 TRP A 29 11.191 18.948 -10.398 1.00 12.00 C ATOM 416 CZ2 TRP A 29 9.609 20.089 -8.353 1.00 50.34 C ATOM 417 CZ3 TRP A 29 10.382 18.169 -9.592 1.00 73.52 C ATOM 418 CH2 TRP A 29 9.600 18.743 -8.581 1.00 70.13 C ATOM 0 H TRP A 29 14.073 21.451 -14.274 1.00 50.34 H new ATOM 0 HA TRP A 29 11.448 20.469 -13.307 1.00 20.41 H new ATOM 0 HB2 TRP A 29 13.515 20.450 -11.804 1.00 43.11 H new ATOM 0 HB3 TRP A 29 13.534 22.198 -11.926 1.00 43.11 H new ATOM 0 HD1 TRP A 29 11.878 23.541 -10.371 1.00 23.24 H new ATOM 0 HE1 TRP A 29 10.178 22.895 -8.531 1.00 60.32 H new ATOM 0 HE3 TRP A 29 11.790 18.498 -11.176 1.00 12.00 H new ATOM 0 HZ2 TRP A 29 9.007 20.528 -7.571 1.00 50.34 H new ATOM 0 HZ3 TRP A 29 10.352 17.100 -9.744 1.00 73.52 H new ATOM 0 HH2 TRP A 29 8.977 18.107 -7.969 1.00 70.13 H new ATOM 429 N PRO A 30 10.242 22.530 -13.962 1.00 72.53 N ATOM 430 CA PRO A 30 9.488 23.729 -14.327 1.00 63.44 C ATOM 431 C PRO A 30 9.253 24.652 -13.133 1.00 0.24 C ATOM 432 O PRO A 30 9.231 24.205 -11.987 1.00 73.54 O ATOM 433 CB PRO A 30 8.161 23.169 -14.839 1.00 4.34 C ATOM 434 CG PRO A 30 8.001 21.870 -14.128 1.00 3.34 C ATOM 435 CD PRO A 30 9.389 21.327 -13.924 1.00 51.14 C ATOM 0 HA PRO A 30 10.019 24.339 -15.057 1.00 63.44 H new ATOM 0 HB2 PRO A 30 7.335 23.845 -14.620 1.00 4.34 H new ATOM 0 HB3 PRO A 30 8.180 23.029 -15.920 1.00 4.34 H new ATOM 0 HG2 PRO A 30 7.494 22.009 -13.173 1.00 3.34 H new ATOM 0 HG3 PRO A 30 7.395 21.178 -14.713 1.00 3.34 H new ATOM 0 HD2 PRO A 30 9.478 20.802 -12.973 1.00 51.14 H new ATOM 0 HD3 PRO A 30 9.661 20.618 -14.706 1.00 51.14 H new ATOM 443 N VAL A 31 9.053 25.936 -13.406 1.00 5.34 N ATOM 444 CA VAL A 31 8.834 26.921 -12.344 1.00 31.12 C ATOM 445 C VAL A 31 7.415 26.830 -11.776 1.00 22.24 C ATOM 446 O VAL A 31 7.051 27.568 -10.863 1.00 72.24 O ATOM 447 CB VAL A 31 9.094 28.360 -12.839 1.00 4.33 C ATOM 448 CG1 VAL A 31 10.550 28.533 -13.242 1.00 70.22 C ATOM 449 CG2 VAL A 31 8.175 28.707 -13.998 1.00 74.32 C ATOM 0 H VAL A 31 9.037 26.322 -14.350 1.00 5.34 H new ATOM 0 HA VAL A 31 9.547 26.686 -11.554 1.00 31.12 H new ATOM 0 HB VAL A 31 8.880 29.045 -12.018 1.00 4.33 H new ATOM 0 HG11 VAL A 31 10.713 29.554 -13.588 1.00 70.22 H new ATOM 0 HG12 VAL A 31 11.191 28.334 -12.383 1.00 70.22 H new ATOM 0 HG13 VAL A 31 10.791 27.835 -14.044 1.00 70.22 H new ATOM 0 HG21 VAL A 31 8.377 29.726 -14.330 1.00 74.32 H new ATOM 0 HG22 VAL A 31 8.351 28.015 -14.822 1.00 74.32 H new ATOM 0 HG23 VAL A 31 7.137 28.629 -13.675 1.00 74.32 H new ATOM 459 N PHE A 32 6.621 25.917 -12.318 1.00 43.21 N ATOM 460 CA PHE A 32 5.266 25.694 -11.836 1.00 54.23 C ATOM 461 C PHE A 32 5.245 24.455 -10.943 1.00 21.23 C ATOM 462 O PHE A 32 4.222 23.789 -10.782 1.00 40.43 O ATOM 463 CB PHE A 32 4.302 25.541 -13.023 1.00 43.03 C ATOM 464 CG PHE A 32 2.848 25.524 -12.629 1.00 53.00 C ATOM 465 CD1 PHE A 32 2.317 26.538 -11.849 1.00 4.02 C ATOM 466 CD2 PHE A 32 2.019 24.490 -13.033 1.00 61.21 C ATOM 467 CE1 PHE A 32 0.985 26.522 -11.479 1.00 34.13 C ATOM 468 CE2 PHE A 32 0.687 24.470 -12.669 1.00 63.22 C ATOM 469 CZ PHE A 32 0.169 25.485 -11.890 1.00 44.13 C ATOM 0 H PHE A 32 6.894 25.316 -13.096 1.00 43.21 H new ATOM 0 HA PHE A 32 4.938 26.551 -11.249 1.00 54.23 H new ATOM 0 HB2 PHE A 32 4.469 26.360 -13.723 1.00 43.03 H new ATOM 0 HB3 PHE A 32 4.536 24.617 -13.552 1.00 43.03 H new ATOM 0 HD1 PHE A 32 2.951 27.351 -11.526 1.00 4.02 H new ATOM 0 HD2 PHE A 32 2.419 23.691 -13.639 1.00 61.21 H new ATOM 0 HE1 PHE A 32 0.583 27.318 -10.870 1.00 34.13 H new ATOM 0 HE2 PHE A 32 0.051 23.660 -12.994 1.00 63.22 H new ATOM 0 HZ PHE A 32 -0.872 25.469 -11.602 1.00 44.13 H new ATOM 479 N ALA A 33 6.396 24.149 -10.366 1.00 62.53 N ATOM 480 CA ALA A 33 6.515 23.040 -9.440 1.00 73.21 C ATOM 481 C ALA A 33 7.341 23.455 -8.229 1.00 14.11 C ATOM 482 O ALA A 33 8.443 23.991 -8.373 1.00 13.22 O ATOM 483 CB ALA A 33 7.131 21.834 -10.131 1.00 74.20 C ATOM 0 H ALA A 33 7.265 24.658 -10.526 1.00 62.53 H new ATOM 0 HA ALA A 33 5.519 22.759 -9.097 1.00 73.21 H new ATOM 0 HB1 ALA A 33 7.213 21.011 -9.421 1.00 74.20 H new ATOM 0 HB2 ALA A 33 6.500 21.531 -10.966 1.00 74.20 H new ATOM 0 HB3 ALA A 33 8.123 22.094 -10.501 1.00 74.20 H new ATOM 489 N ASP A 34 6.797 23.226 -7.040 1.00 73.54 N ATOM 490 CA ASP A 34 7.472 23.598 -5.799 1.00 12.01 C ATOM 491 C ASP A 34 8.786 22.840 -5.645 1.00 25.54 C ATOM 492 O ASP A 34 8.821 21.610 -5.660 1.00 43.40 O ATOM 493 CB ASP A 34 6.564 23.356 -4.585 1.00 72.34 C ATOM 494 CG ASP A 34 6.014 21.944 -4.521 1.00 35.13 C ATOM 495 OD1 ASP A 34 4.971 21.684 -5.158 1.00 51.51 O ATOM 496 OD2 ASP A 34 6.615 21.088 -3.836 1.00 44.20 O ATOM 0 H ASP A 34 5.888 22.783 -6.907 1.00 73.54 H new ATOM 0 HA ASP A 34 7.697 24.663 -5.849 1.00 12.01 H new ATOM 0 HB2 ASP A 34 7.125 23.562 -3.673 1.00 72.34 H new ATOM 0 HB3 ASP A 34 5.733 24.061 -4.614 1.00 72.34 H new ATOM 501 N ILE A 35 9.870 23.587 -5.518 1.00 23.41 N ATOM 502 CA ILE A 35 11.196 23.000 -5.392 1.00 54.34 C ATOM 503 C ILE A 35 11.417 22.460 -3.977 1.00 65.45 C ATOM 504 O ILE A 35 11.165 23.158 -2.994 1.00 14.24 O ATOM 505 CB ILE A 35 12.294 24.032 -5.738 1.00 10.14 C ATOM 506 CG1 ILE A 35 12.050 24.617 -7.135 1.00 72.42 C ATOM 507 CG2 ILE A 35 13.675 23.396 -5.660 1.00 64.03 C ATOM 508 CD1 ILE A 35 13.079 25.645 -7.560 1.00 60.24 C ATOM 0 H ILE A 35 9.858 24.607 -5.499 1.00 23.41 H new ATOM 0 HA ILE A 35 11.261 22.173 -6.099 1.00 54.34 H new ATOM 0 HB ILE A 35 12.251 24.840 -5.008 1.00 10.14 H new ATOM 0 HG12 ILE A 35 12.041 23.805 -7.862 1.00 72.42 H new ATOM 0 HG13 ILE A 35 11.062 25.076 -7.158 1.00 72.42 H new ATOM 0 HG21 ILE A 35 14.433 24.140 -5.907 1.00 64.03 H new ATOM 0 HG22 ILE A 35 13.848 23.024 -4.650 1.00 64.03 H new ATOM 0 HG23 ILE A 35 13.735 22.568 -6.367 1.00 64.03 H new ATOM 0 HD11 ILE A 35 12.837 26.011 -8.558 1.00 60.24 H new ATOM 0 HD12 ILE A 35 13.073 26.478 -6.857 1.00 60.24 H new ATOM 0 HD13 ILE A 35 14.068 25.187 -7.571 1.00 60.24 H new ATOM 520 N PRO A 36 11.852 21.192 -3.867 1.00 20.01 N ATOM 521 CA PRO A 36 12.164 20.553 -2.578 1.00 12.02 C ATOM 522 C PRO A 36 13.460 21.091 -1.961 1.00 43.41 C ATOM 523 O PRO A 36 13.846 22.230 -2.211 1.00 52.44 O ATOM 524 CB PRO A 36 12.320 19.076 -2.953 1.00 34.45 C ATOM 525 CG PRO A 36 12.732 19.084 -4.385 1.00 42.11 C ATOM 526 CD PRO A 36 12.058 20.272 -5.004 1.00 44.21 C ATOM 0 HA PRO A 36 11.396 20.740 -1.828 1.00 12.02 H new ATOM 0 HB2 PRO A 36 13.069 18.587 -2.329 1.00 34.45 H new ATOM 0 HB3 PRO A 36 11.385 18.533 -2.814 1.00 34.45 H new ATOM 0 HG2 PRO A 36 13.815 19.158 -4.479 1.00 42.11 H new ATOM 0 HG3 PRO A 36 12.431 18.162 -4.882 1.00 42.11 H new ATOM 0 HD2 PRO A 36 12.677 20.725 -5.778 1.00 44.21 H new ATOM 0 HD3 PRO A 36 11.113 19.997 -5.472 1.00 44.21 H new ATOM 534 N ALA A 37 14.104 20.286 -1.124 1.00 32.34 N ATOM 535 CA ALA A 37 15.411 20.631 -0.579 1.00 62.32 C ATOM 536 C ALA A 37 16.503 19.776 -1.221 1.00 3.44 C ATOM 537 O ALA A 37 16.209 18.778 -1.879 1.00 34.45 O ATOM 538 CB ALA A 37 15.418 20.453 0.932 1.00 21.30 C ATOM 0 H ALA A 37 13.741 19.387 -0.807 1.00 32.34 H new ATOM 0 HA ALA A 37 15.615 21.677 -0.807 1.00 62.32 H new ATOM 0 HB1 ALA A 37 16.401 20.714 1.325 1.00 21.30 H new ATOM 0 HB2 ALA A 37 14.665 21.102 1.378 1.00 21.30 H new ATOM 0 HB3 ALA A 37 15.194 19.415 1.177 1.00 21.30 H new ATOM 544 N GLY A 38 17.759 20.169 -1.026 1.00 61.52 N ATOM 545 CA GLY A 38 18.867 19.432 -1.616 1.00 71.31 C ATOM 546 C GLY A 38 19.022 19.731 -3.092 1.00 52.02 C ATOM 547 O GLY A 38 19.490 18.894 -3.861 1.00 65.45 O ATOM 0 H GLY A 38 18.030 20.981 -0.472 1.00 61.52 H new ATOM 0 HA2 GLY A 38 19.790 19.686 -1.095 1.00 71.31 H new ATOM 0 HA3 GLY A 38 18.707 18.363 -1.477 1.00 71.31 H new ATOM 551 N TRP A 39 18.635 20.937 -3.479 1.00 1.04 N ATOM 552 CA TRP A 39 18.608 21.326 -4.881 1.00 71.10 C ATOM 553 C TRP A 39 19.695 22.342 -5.204 1.00 53.52 C ATOM 554 O TRP A 39 20.119 23.110 -4.339 1.00 43.22 O ATOM 555 CB TRP A 39 17.244 21.927 -5.220 1.00 61.05 C ATOM 556 CG TRP A 39 16.913 23.146 -4.400 1.00 75.23 C ATOM 557 CD1 TRP A 39 16.340 23.163 -3.164 1.00 40.04 C ATOM 558 CD2 TRP A 39 17.139 24.520 -4.754 1.00 15.24 C ATOM 559 NE1 TRP A 39 16.192 24.457 -2.726 1.00 74.21 N ATOM 560 CE2 TRP A 39 16.676 25.309 -3.683 1.00 52.15 C ATOM 561 CE3 TRP A 39 17.687 25.160 -5.869 1.00 41.43 C ATOM 562 CZ2 TRP A 39 16.746 26.699 -3.695 1.00 4.21 C ATOM 563 CZ3 TRP A 39 17.756 26.540 -5.880 1.00 21.35 C ATOM 564 CH2 TRP A 39 17.287 27.297 -4.798 1.00 62.42 C ATOM 0 H TRP A 39 18.333 21.669 -2.836 1.00 1.04 H new ATOM 0 HA TRP A 39 18.788 20.432 -5.478 1.00 71.10 H new ATOM 0 HB2 TRP A 39 17.223 22.192 -6.277 1.00 61.05 H new ATOM 0 HB3 TRP A 39 16.473 21.172 -5.065 1.00 61.05 H new ATOM 0 HD1 TRP A 39 16.045 22.285 -2.608 1.00 40.04 H new ATOM 0 HE1 TRP A 39 15.787 24.738 -1.833 1.00 74.21 H new ATOM 0 HE3 TRP A 39 18.051 24.585 -6.708 1.00 41.43 H new ATOM 0 HZ2 TRP A 39 16.385 27.284 -2.862 1.00 4.21 H new ATOM 0 HZ3 TRP A 39 18.178 27.044 -6.737 1.00 21.35 H new ATOM 0 HH2 TRP A 39 17.354 28.374 -4.837 1.00 62.42 H new ATOM 575 N ARG A 40 20.143 22.330 -6.454 1.00 15.10 N ATOM 576 CA ARG A 40 21.028 23.361 -6.978 1.00 61.03 C ATOM 577 C ARG A 40 20.706 23.637 -8.442 1.00 54.24 C ATOM 578 O ARG A 40 20.604 22.711 -9.251 1.00 13.25 O ATOM 579 CB ARG A 40 22.504 22.972 -6.818 1.00 5.24 C ATOM 580 CG ARG A 40 23.022 23.169 -5.403 1.00 52.34 C ATOM 581 CD ARG A 40 22.900 24.625 -4.979 1.00 31.33 C ATOM 582 NE ARG A 40 22.860 24.778 -3.527 1.00 23.32 N ATOM 583 CZ ARG A 40 22.141 25.710 -2.898 1.00 30.25 C ATOM 584 NH1 ARG A 40 21.473 26.619 -3.596 1.00 71.53 N ATOM 585 NH2 ARG A 40 22.095 25.742 -1.571 1.00 14.54 N ATOM 0 H ARG A 40 19.903 21.606 -7.131 1.00 15.10 H new ATOM 0 HA ARG A 40 20.862 24.270 -6.400 1.00 61.03 H new ATOM 0 HB2 ARG A 40 22.631 21.928 -7.103 1.00 5.24 H new ATOM 0 HB3 ARG A 40 23.107 23.566 -7.505 1.00 5.24 H new ATOM 0 HG2 ARG A 40 22.461 22.537 -4.715 1.00 52.34 H new ATOM 0 HG3 ARG A 40 24.064 22.855 -5.346 1.00 52.34 H new ATOM 0 HD2 ARG A 40 23.743 25.189 -5.378 1.00 31.33 H new ATOM 0 HD3 ARG A 40 21.996 25.053 -5.412 1.00 31.33 H new ATOM 0 HE ARG A 40 23.414 24.135 -2.961 1.00 23.32 H new ATOM 0 HH11 ARG A 40 21.508 26.606 -4.615 1.00 71.53 H new ATOM 0 HH12 ARG A 40 20.924 27.330 -3.113 1.00 71.53 H new ATOM 0 HH21 ARG A 40 22.611 25.051 -1.026 1.00 14.54 H new ATOM 0 HH22 ARG A 40 21.543 26.457 -1.097 1.00 14.54 H new ATOM 599 N VAL A 41 20.517 24.908 -8.766 1.00 40.24 N ATOM 600 CA VAL A 41 20.197 25.316 -10.127 1.00 71.24 C ATOM 601 C VAL A 41 21.469 25.484 -10.951 1.00 31.12 C ATOM 602 O VAL A 41 22.298 26.347 -10.663 1.00 65.41 O ATOM 603 CB VAL A 41 19.398 26.642 -10.151 1.00 61.45 C ATOM 604 CG1 VAL A 41 19.112 27.076 -11.580 1.00 25.00 C ATOM 605 CG2 VAL A 41 18.100 26.506 -9.367 1.00 14.32 C ATOM 0 H VAL A 41 20.580 25.679 -8.101 1.00 40.24 H new ATOM 0 HA VAL A 41 19.580 24.529 -10.561 1.00 71.24 H new ATOM 0 HB VAL A 41 20.008 27.410 -9.675 1.00 61.45 H new ATOM 0 HG11 VAL A 41 18.550 28.010 -11.571 1.00 25.00 H new ATOM 0 HG12 VAL A 41 20.053 27.224 -12.111 1.00 25.00 H new ATOM 0 HG13 VAL A 41 18.528 26.306 -12.084 1.00 25.00 H new ATOM 0 HG21 VAL A 41 17.556 27.450 -9.398 1.00 14.32 H new ATOM 0 HG22 VAL A 41 17.488 25.720 -9.809 1.00 14.32 H new ATOM 0 HG23 VAL A 41 18.325 26.251 -8.332 1.00 14.32 H new ATOM 615 N VAL A 42 21.622 24.653 -11.970 1.00 40.32 N ATOM 616 CA VAL A 42 22.798 24.711 -12.823 1.00 63.24 C ATOM 617 C VAL A 42 22.545 25.634 -14.011 1.00 50.15 C ATOM 618 O VAL A 42 23.474 26.212 -14.576 1.00 15.22 O ATOM 619 CB VAL A 42 23.197 23.308 -13.329 1.00 42.14 C ATOM 620 CG1 VAL A 42 24.501 23.360 -14.116 1.00 23.52 C ATOM 621 CG2 VAL A 42 23.316 22.340 -12.160 1.00 52.31 C ATOM 0 H VAL A 42 20.948 23.932 -12.226 1.00 40.32 H new ATOM 0 HA VAL A 42 23.620 25.106 -12.226 1.00 63.24 H new ATOM 0 HB VAL A 42 22.415 22.952 -14.000 1.00 42.14 H new ATOM 0 HG11 VAL A 42 24.758 22.358 -14.460 1.00 23.52 H new ATOM 0 HG12 VAL A 42 24.381 24.020 -14.975 1.00 23.52 H new ATOM 0 HG13 VAL A 42 25.297 23.739 -13.476 1.00 23.52 H new ATOM 0 HG21 VAL A 42 23.598 21.355 -12.531 1.00 52.31 H new ATOM 0 HG22 VAL A 42 24.077 22.698 -11.467 1.00 52.31 H new ATOM 0 HG23 VAL A 42 22.358 22.273 -11.644 1.00 52.31 H new ATOM 631 N HIS A 43 21.279 25.791 -14.372 1.00 32.14 N ATOM 632 CA HIS A 43 20.912 26.631 -15.506 1.00 42.41 C ATOM 633 C HIS A 43 19.460 27.081 -15.378 1.00 1.25 C ATOM 634 O HIS A 43 18.618 26.315 -14.910 1.00 24.14 O ATOM 635 CB HIS A 43 21.103 25.852 -16.811 1.00 4.00 C ATOM 636 CG HIS A 43 21.299 26.714 -18.018 1.00 10.14 C ATOM 637 ND1 HIS A 43 20.263 27.322 -18.696 1.00 72.12 N ATOM 638 CD2 HIS A 43 22.431 27.060 -18.676 1.00 61.44 C ATOM 639 CE1 HIS A 43 20.755 27.999 -19.719 1.00 25.41 C ATOM 640 NE2 HIS A 43 22.065 27.855 -19.728 1.00 3.32 N ATOM 0 H HIS A 43 20.490 25.350 -13.899 1.00 32.14 H new ATOM 0 HA HIS A 43 21.554 27.512 -15.517 1.00 42.41 H new ATOM 0 HB2 HIS A 43 21.965 25.194 -16.705 1.00 4.00 H new ATOM 0 HB3 HIS A 43 20.233 25.215 -16.971 1.00 4.00 H new ATOM 0 HD1 HIS A 43 19.276 27.259 -18.448 1.00 72.12 H new ATOM 0 HD2 HIS A 43 23.437 26.763 -18.418 1.00 61.44 H new ATOM 0 HE1 HIS A 43 20.179 28.574 -20.429 1.00 25.41 H new ATOM 649 N GLY A 44 19.173 28.314 -15.790 1.00 64.42 N ATOM 650 CA GLY A 44 17.811 28.820 -15.736 1.00 40.31 C ATOM 651 C GLY A 44 16.984 28.362 -16.919 1.00 11.43 C ATOM 652 O GLY A 44 17.291 27.336 -17.531 1.00 14.32 O ATOM 0 H GLY A 44 19.859 28.972 -16.160 1.00 64.42 H new ATOM 0 HA2 GLY A 44 17.337 28.486 -14.813 1.00 40.31 H new ATOM 0 HA3 GLY A 44 17.831 29.909 -15.708 1.00 40.31 H new ATOM 656 N GLU A 45 15.970 29.143 -17.279 1.00 41.53 N ATOM 657 CA GLU A 45 15.035 28.732 -18.323 1.00 24.13 C ATOM 658 C GLU A 45 15.578 29.044 -19.699 1.00 75.21 C ATOM 659 O GLU A 45 15.524 30.168 -20.194 1.00 73.32 O ATOM 660 CB GLU A 45 13.636 29.338 -18.136 1.00 41.13 C ATOM 661 CG GLU A 45 13.615 30.573 -17.267 1.00 22.15 C ATOM 662 CD GLU A 45 14.202 31.802 -17.930 1.00 40.03 C ATOM 663 OE1 GLU A 45 13.469 32.476 -18.684 1.00 61.15 O ATOM 664 OE2 GLU A 45 15.385 32.111 -17.680 1.00 54.25 O ATOM 0 H GLU A 45 15.775 30.056 -16.868 1.00 41.53 H new ATOM 0 HA GLU A 45 14.926 27.651 -18.233 1.00 24.13 H new ATOM 0 HB2 GLU A 45 13.225 29.587 -19.114 1.00 41.13 H new ATOM 0 HB3 GLU A 45 12.981 28.586 -17.697 1.00 41.13 H new ATOM 0 HG2 GLU A 45 12.585 30.785 -16.979 1.00 22.15 H new ATOM 0 HG3 GLU A 45 14.167 30.369 -16.350 1.00 22.15 H new ATOM 671 N ALA A 46 16.134 28.018 -20.274 1.00 42.34 N ATOM 672 CA ALA A 46 16.592 28.032 -21.653 1.00 4.43 C ATOM 673 C ALA A 46 15.834 26.966 -22.415 1.00 3.13 C ATOM 674 O ALA A 46 15.206 26.120 -21.791 1.00 72.05 O ATOM 675 CB ALA A 46 18.090 27.791 -21.731 1.00 74.23 C ATOM 0 H ALA A 46 16.289 27.129 -19.799 1.00 42.34 H new ATOM 0 HA ALA A 46 16.401 29.010 -22.095 1.00 4.43 H new ATOM 0 HB1 ALA A 46 18.407 27.806 -22.774 1.00 74.23 H new ATOM 0 HB2 ALA A 46 18.613 28.573 -21.181 1.00 74.23 H new ATOM 0 HB3 ALA A 46 18.326 26.820 -21.294 1.00 74.23 H new ATOM 681 N SER A 47 15.897 27.006 -23.742 1.00 52.43 N ATOM 682 CA SER A 47 15.137 26.087 -24.590 1.00 21.43 C ATOM 683 C SER A 47 15.230 24.649 -24.070 1.00 15.04 C ATOM 684 O SER A 47 16.320 24.164 -23.754 1.00 74.34 O ATOM 685 CB SER A 47 15.663 26.165 -26.025 1.00 75.44 C ATOM 686 OG SER A 47 14.693 25.722 -26.958 1.00 33.40 O ATOM 0 H SER A 47 16.472 27.671 -24.260 1.00 52.43 H new ATOM 0 HA SER A 47 14.088 26.382 -24.569 1.00 21.43 H new ATOM 0 HB2 SER A 47 15.947 27.192 -26.254 1.00 75.44 H new ATOM 0 HB3 SER A 47 16.563 25.557 -26.117 1.00 75.44 H new ATOM 0 HG SER A 47 14.599 26.386 -27.672 1.00 33.40 H new ATOM 692 N ARG A 48 14.073 23.989 -23.962 1.00 24.40 N ATOM 693 CA ARG A 48 13.987 22.633 -23.416 1.00 63.42 C ATOM 694 C ARG A 48 14.980 21.699 -24.109 1.00 12.32 C ATOM 695 O ARG A 48 15.666 20.915 -23.452 1.00 12.12 O ATOM 696 CB ARG A 48 12.559 22.091 -23.562 1.00 31.24 C ATOM 697 CG ARG A 48 12.407 20.626 -23.175 1.00 63.13 C ATOM 698 CD ARG A 48 12.633 20.388 -21.690 1.00 15.30 C ATOM 699 NE ARG A 48 11.514 20.852 -20.872 1.00 30.40 N ATOM 700 CZ ARG A 48 10.896 20.089 -19.967 1.00 64.14 C ATOM 701 NH1 ARG A 48 11.229 18.812 -19.831 1.00 2.12 N ATOM 702 NH2 ARG A 48 9.920 20.587 -19.223 1.00 42.11 N ATOM 0 H ARG A 48 13.175 24.378 -24.249 1.00 24.40 H new ATOM 0 HA ARG A 48 14.243 22.677 -22.357 1.00 63.42 H new ATOM 0 HB2 ARG A 48 11.890 22.690 -22.945 1.00 31.24 H new ATOM 0 HB3 ARG A 48 12.238 22.218 -24.596 1.00 31.24 H new ATOM 0 HG2 ARG A 48 11.408 20.284 -23.446 1.00 63.13 H new ATOM 0 HG3 ARG A 48 13.116 20.027 -23.747 1.00 63.13 H new ATOM 0 HD2 ARG A 48 12.789 19.323 -21.516 1.00 15.30 H new ATOM 0 HD3 ARG A 48 13.544 20.899 -21.378 1.00 15.30 H new ATOM 0 HE ARG A 48 11.188 21.810 -20.999 1.00 30.40 H new ATOM 0 HH11 ARG A 48 11.959 18.410 -20.419 1.00 2.12 H new ATOM 0 HH12 ARG A 48 10.755 18.232 -19.139 1.00 2.12 H new ATOM 0 HH21 ARG A 48 9.636 21.560 -19.339 1.00 42.11 H new ATOM 0 HH22 ARG A 48 9.453 19.998 -18.534 1.00 42.11 H new ATOM 716 N ALA A 49 15.060 21.805 -25.432 1.00 71.21 N ATOM 717 CA ALA A 49 15.974 20.985 -26.219 1.00 23.33 C ATOM 718 C ALA A 49 17.421 21.208 -25.795 1.00 12.42 C ATOM 719 O ALA A 49 18.167 20.253 -25.599 1.00 4.23 O ATOM 720 CB ALA A 49 15.803 21.275 -27.704 1.00 24.31 C ATOM 0 H ALA A 49 14.499 22.455 -25.984 1.00 71.21 H new ATOM 0 HA ALA A 49 15.729 19.939 -26.036 1.00 23.33 H new ATOM 0 HB1 ALA A 49 16.492 20.655 -28.277 1.00 24.31 H new ATOM 0 HB2 ALA A 49 14.779 21.051 -28.003 1.00 24.31 H new ATOM 0 HB3 ALA A 49 16.015 22.327 -27.896 1.00 24.31 H new ATOM 726 N ALA A 50 17.805 22.471 -25.641 1.00 1.42 N ATOM 727 CA ALA A 50 19.159 22.819 -25.227 1.00 72.11 C ATOM 728 C ALA A 50 19.446 22.304 -23.823 1.00 72.52 C ATOM 729 O ALA A 50 20.538 21.815 -23.538 1.00 11.34 O ATOM 730 CB ALA A 50 19.364 24.324 -25.289 1.00 20.13 C ATOM 0 H ALA A 50 17.195 23.273 -25.797 1.00 1.42 H new ATOM 0 HA ALA A 50 19.857 22.343 -25.916 1.00 72.11 H new ATOM 0 HB1 ALA A 50 20.380 24.566 -24.977 1.00 20.13 H new ATOM 0 HB2 ALA A 50 19.206 24.671 -26.310 1.00 20.13 H new ATOM 0 HB3 ALA A 50 18.653 24.816 -24.625 1.00 20.13 H new ATOM 736 N CYS A 51 18.454 22.416 -22.949 1.00 34.11 N ATOM 737 CA CYS A 51 18.580 21.935 -21.584 1.00 53.12 C ATOM 738 C CYS A 51 18.744 20.416 -21.557 1.00 24.13 C ATOM 739 O CYS A 51 19.604 19.892 -20.851 1.00 22.31 O ATOM 740 CB CYS A 51 17.367 22.359 -20.758 1.00 2.53 C ATOM 741 SG CYS A 51 17.202 24.154 -20.564 1.00 11.35 S ATOM 0 H CYS A 51 17.551 22.838 -23.165 1.00 34.11 H new ATOM 0 HA CYS A 51 19.473 22.380 -21.144 1.00 53.12 H new ATOM 0 HB2 CYS A 51 16.465 21.970 -21.229 1.00 2.53 H new ATOM 0 HB3 CYS A 51 17.434 21.901 -19.771 1.00 2.53 H new ATOM 0 HG CYS A 51 16.204 24.578 -21.281 1.00 11.35 H new ATOM 747 N LEU A 52 17.927 19.715 -22.343 1.00 14.24 N ATOM 748 CA LEU A 52 18.044 18.265 -22.472 1.00 14.11 C ATOM 749 C LEU A 52 19.400 17.891 -23.054 1.00 14.41 C ATOM 750 O LEU A 52 20.065 16.977 -22.567 1.00 13.15 O ATOM 751 CB LEU A 52 16.926 17.709 -23.360 1.00 54.05 C ATOM 752 CG LEU A 52 15.510 17.875 -22.808 1.00 21.41 C ATOM 753 CD1 LEU A 52 14.493 17.339 -23.800 1.00 71.20 C ATOM 754 CD2 LEU A 52 15.369 17.167 -21.469 1.00 63.03 C ATOM 0 H LEU A 52 17.178 20.128 -22.899 1.00 14.24 H new ATOM 0 HA LEU A 52 17.952 17.828 -21.478 1.00 14.11 H new ATOM 0 HB2 LEU A 52 16.979 18.199 -24.332 1.00 54.05 H new ATOM 0 HB3 LEU A 52 17.111 16.648 -23.527 1.00 54.05 H new ATOM 0 HG LEU A 52 15.322 18.938 -22.654 1.00 21.41 H new ATOM 0 HD11 LEU A 52 13.489 17.463 -23.395 1.00 71.20 H new ATOM 0 HD12 LEU A 52 14.576 17.887 -24.738 1.00 71.20 H new ATOM 0 HD13 LEU A 52 14.683 16.281 -23.980 1.00 71.20 H new ATOM 0 HD21 LEU A 52 14.354 17.297 -21.094 1.00 63.03 H new ATOM 0 HD22 LEU A 52 15.575 16.104 -21.596 1.00 63.03 H new ATOM 0 HD23 LEU A 52 16.077 17.591 -20.757 1.00 63.03 H new ATOM 766 N ASP A 53 19.809 18.615 -24.088 1.00 61.53 N ATOM 767 CA ASP A 53 21.102 18.391 -24.724 1.00 54.43 C ATOM 768 C ASP A 53 22.221 18.522 -23.697 1.00 63.52 C ATOM 769 O ASP A 53 23.101 17.664 -23.600 1.00 62.44 O ATOM 770 CB ASP A 53 21.304 19.392 -25.869 1.00 40.30 C ATOM 771 CG ASP A 53 22.529 19.098 -26.712 1.00 11.42 C ATOM 772 OD1 ASP A 53 22.491 18.129 -27.499 1.00 63.05 O ATOM 773 OD2 ASP A 53 23.526 19.847 -26.616 1.00 1.13 O ATOM 0 H ASP A 53 19.261 19.367 -24.506 1.00 61.53 H new ATOM 0 HA ASP A 53 21.126 17.382 -25.135 1.00 54.43 H new ATOM 0 HB2 ASP A 53 20.421 19.385 -26.508 1.00 40.30 H new ATOM 0 HB3 ASP A 53 21.389 20.396 -25.454 1.00 40.30 H new ATOM 778 N TYR A 54 22.149 19.583 -22.902 1.00 62.01 N ATOM 779 CA TYR A 54 23.148 19.859 -21.878 1.00 33.33 C ATOM 780 C TYR A 54 23.191 18.756 -20.820 1.00 54.33 C ATOM 781 O TYR A 54 24.255 18.213 -20.531 1.00 52.04 O ATOM 782 CB TYR A 54 22.861 21.210 -21.216 1.00 21.41 C ATOM 783 CG TYR A 54 23.806 21.557 -20.082 1.00 53.34 C ATOM 784 CD1 TYR A 54 25.075 22.059 -20.340 1.00 31.52 C ATOM 785 CD2 TYR A 54 23.427 21.385 -18.755 1.00 62.33 C ATOM 786 CE1 TYR A 54 25.941 22.373 -19.310 1.00 53.11 C ATOM 787 CE2 TYR A 54 24.288 21.700 -17.722 1.00 32.53 C ATOM 788 CZ TYR A 54 25.542 22.193 -18.005 1.00 2.30 C ATOM 789 OH TYR A 54 26.402 22.496 -16.976 1.00 25.04 O ATOM 0 H TYR A 54 21.400 20.273 -22.949 1.00 62.01 H new ATOM 0 HA TYR A 54 24.123 19.892 -22.364 1.00 33.33 H new ATOM 0 HB2 TYR A 54 22.916 21.992 -21.973 1.00 21.41 H new ATOM 0 HB3 TYR A 54 21.840 21.206 -20.835 1.00 21.41 H new ATOM 0 HD1 TYR A 54 25.390 22.206 -21.362 1.00 31.52 H new ATOM 0 HD2 TYR A 54 22.444 20.999 -18.529 1.00 62.33 H new ATOM 0 HE1 TYR A 54 26.926 22.758 -19.528 1.00 53.11 H new ATOM 0 HE2 TYR A 54 23.979 21.560 -16.697 1.00 32.53 H new ATOM 0 HH TYR A 54 27.000 23.222 -17.252 1.00 25.04 H new ATOM 799 N VAL A 55 22.037 18.416 -20.251 1.00 13.21 N ATOM 800 CA VAL A 55 21.994 17.463 -19.145 1.00 73.54 C ATOM 801 C VAL A 55 22.437 16.071 -19.585 1.00 63.52 C ATOM 802 O VAL A 55 23.165 15.387 -18.865 1.00 1.14 O ATOM 803 CB VAL A 55 20.594 17.381 -18.486 1.00 74.32 C ATOM 804 CG1 VAL A 55 20.178 18.733 -17.949 1.00 11.35 C ATOM 805 CG2 VAL A 55 19.540 16.857 -19.450 1.00 3.21 C ATOM 0 H VAL A 55 21.128 18.782 -20.534 1.00 13.21 H new ATOM 0 HA VAL A 55 22.695 17.839 -18.400 1.00 73.54 H new ATOM 0 HB VAL A 55 20.669 16.674 -17.660 1.00 74.32 H new ATOM 0 HG11 VAL A 55 19.192 18.655 -17.490 1.00 11.35 H new ATOM 0 HG12 VAL A 55 20.900 19.066 -17.203 1.00 11.35 H new ATOM 0 HG13 VAL A 55 20.142 19.454 -18.766 1.00 11.35 H new ATOM 0 HG21 VAL A 55 18.574 16.816 -18.946 1.00 3.21 H new ATOM 0 HG22 VAL A 55 19.472 17.522 -20.311 1.00 3.21 H new ATOM 0 HG23 VAL A 55 19.818 15.857 -19.784 1.00 3.21 H new ATOM 815 N GLU A 56 22.005 15.661 -20.767 1.00 10.40 N ATOM 816 CA GLU A 56 22.326 14.343 -21.286 1.00 61.52 C ATOM 817 C GLU A 56 23.788 14.246 -21.722 1.00 34.54 C ATOM 818 O GLU A 56 24.440 13.231 -21.489 1.00 73.34 O ATOM 819 CB GLU A 56 21.381 14.000 -22.431 1.00 74.35 C ATOM 820 CG GLU A 56 19.935 13.906 -21.974 1.00 71.41 C ATOM 821 CD GLU A 56 19.685 12.709 -21.076 1.00 3.14 C ATOM 822 OE1 GLU A 56 19.574 11.583 -21.599 1.00 13.14 O ATOM 823 OE2 GLU A 56 19.599 12.888 -19.844 1.00 12.33 O ATOM 0 H GLU A 56 21.427 16.227 -21.388 1.00 10.40 H new ATOM 0 HA GLU A 56 22.190 13.615 -20.486 1.00 61.52 H new ATOM 0 HB2 GLU A 56 21.466 14.759 -23.209 1.00 74.35 H new ATOM 0 HB3 GLU A 56 21.682 13.052 -22.876 1.00 74.35 H new ATOM 0 HG2 GLU A 56 19.666 14.818 -21.441 1.00 71.41 H new ATOM 0 HG3 GLU A 56 19.285 13.843 -22.847 1.00 71.41 H new ATOM 830 N LYS A 57 24.305 15.303 -22.345 1.00 70.11 N ATOM 831 CA LYS A 57 25.703 15.322 -22.778 1.00 60.22 C ATOM 832 C LYS A 57 26.649 15.520 -21.600 1.00 10.13 C ATOM 833 O LYS A 57 27.845 15.245 -21.700 1.00 34.22 O ATOM 834 CB LYS A 57 25.922 16.408 -23.826 1.00 64.25 C ATOM 835 CG LYS A 57 25.526 15.970 -25.225 1.00 75.40 C ATOM 836 CD LYS A 57 25.265 17.157 -26.133 1.00 11.15 C ATOM 837 CE LYS A 57 26.413 18.153 -26.127 1.00 5.52 C ATOM 838 NZ LYS A 57 26.136 19.294 -27.036 1.00 33.13 N ATOM 0 H LYS A 57 23.783 16.152 -22.561 1.00 70.11 H new ATOM 0 HA LYS A 57 25.926 14.353 -23.224 1.00 60.22 H new ATOM 0 HB2 LYS A 57 25.346 17.292 -23.551 1.00 64.25 H new ATOM 0 HB3 LYS A 57 26.972 16.699 -23.826 1.00 64.25 H new ATOM 0 HG2 LYS A 57 26.318 15.354 -25.651 1.00 75.40 H new ATOM 0 HG3 LYS A 57 24.632 15.349 -25.172 1.00 75.40 H new ATOM 0 HD2 LYS A 57 25.099 16.803 -27.151 1.00 11.15 H new ATOM 0 HD3 LYS A 57 24.350 17.659 -25.817 1.00 11.15 H new ATOM 0 HE2 LYS A 57 26.573 18.522 -25.114 1.00 5.52 H new ATOM 0 HE3 LYS A 57 27.333 17.655 -26.434 1.00 5.52 H new ATOM 0 HZ1 LYS A 57 26.762 20.089 -26.796 1.00 33.13 H new ATOM 0 HZ2 LYS A 57 26.307 19.003 -28.020 1.00 33.13 H new ATOM 0 HZ3 LYS A 57 25.145 19.590 -26.930 1.00 33.13 H new ATOM 852 N ASN A 58 26.120 16.019 -20.492 1.00 5.40 N ATOM 853 CA ASN A 58 26.886 16.078 -19.256 1.00 62.23 C ATOM 854 C ASN A 58 26.816 14.740 -18.548 1.00 64.30 C ATOM 855 O ASN A 58 27.810 14.263 -18.005 1.00 2.42 O ATOM 856 CB ASN A 58 26.378 17.182 -18.324 1.00 60.13 C ATOM 857 CG ASN A 58 26.941 18.551 -18.663 1.00 21.12 C ATOM 858 OD1 ASN A 58 27.190 19.363 -17.770 1.00 45.43 O ATOM 859 ND2 ASN A 58 27.125 18.826 -19.945 1.00 73.12 N ATOM 0 H ASN A 58 25.171 16.386 -20.423 1.00 5.40 H new ATOM 0 HA ASN A 58 27.919 16.310 -19.515 1.00 62.23 H new ATOM 0 HB2 ASN A 58 25.290 17.220 -18.375 1.00 60.13 H new ATOM 0 HB3 ASN A 58 26.641 16.932 -17.296 1.00 60.13 H new ATOM 0 HD21 ASN A 58 27.485 19.738 -20.224 1.00 73.12 H new ATOM 0 HD22 ASN A 58 26.906 18.125 -20.653 1.00 73.12 H new ATOM 866 N TRP A 59 25.619 14.146 -18.560 1.00 74.44 N ATOM 867 CA TRP A 59 25.376 12.834 -17.963 1.00 50.11 C ATOM 868 C TRP A 59 25.671 12.874 -16.463 1.00 20.21 C ATOM 869 O TRP A 59 25.870 11.842 -15.821 1.00 31.04 O ATOM 870 CB TRP A 59 26.222 11.769 -18.677 1.00 2.31 C ATOM 871 CG TRP A 59 25.801 10.359 -18.391 1.00 72.22 C ATOM 872 CD1 TRP A 59 26.613 9.318 -18.048 1.00 32.41 C ATOM 873 CD2 TRP A 59 24.467 9.836 -18.416 1.00 42.01 C ATOM 874 NE1 TRP A 59 25.870 8.179 -17.868 1.00 45.01 N ATOM 875 CE2 TRP A 59 24.549 8.471 -18.084 1.00 71.53 C ATOM 876 CE3 TRP A 59 23.211 10.388 -18.685 1.00 43.25 C ATOM 877 CZ2 TRP A 59 23.427 7.651 -18.018 1.00 24.34 C ATOM 878 CZ3 TRP A 59 22.098 9.573 -18.618 1.00 73.44 C ATOM 879 CH2 TRP A 59 22.211 8.219 -18.285 1.00 44.54 C ATOM 0 H TRP A 59 24.791 14.564 -18.985 1.00 74.44 H new ATOM 0 HA TRP A 59 24.326 12.568 -18.087 1.00 50.11 H new ATOM 0 HB2 TRP A 59 26.171 11.941 -19.752 1.00 2.31 H new ATOM 0 HB3 TRP A 59 27.265 11.892 -18.384 1.00 2.31 H new ATOM 0 HD1 TRP A 59 27.685 9.381 -17.935 1.00 32.41 H new ATOM 0 HE1 TRP A 59 26.241 7.263 -17.614 1.00 45.01 H new ATOM 0 HE3 TRP A 59 23.113 11.433 -18.941 1.00 43.25 H new ATOM 0 HZ2 TRP A 59 23.513 6.604 -17.765 1.00 24.34 H new ATOM 0 HZ3 TRP A 59 21.123 9.988 -18.826 1.00 73.44 H new ATOM 0 HH2 TRP A 59 21.321 7.610 -18.238 1.00 44.54 H new ATOM 890 N THR A 60 25.654 14.088 -15.916 1.00 25.34 N ATOM 891 CA THR A 60 25.960 14.323 -14.514 1.00 53.12 C ATOM 892 C THR A 60 27.412 13.954 -14.205 1.00 52.32 C ATOM 893 O THR A 60 27.711 12.864 -13.710 1.00 3.14 O ATOM 894 CB THR A 60 24.989 13.560 -13.589 1.00 72.14 C ATOM 895 OG1 THR A 60 23.636 13.881 -13.956 1.00 12.01 O ATOM 896 CG2 THR A 60 25.215 13.925 -12.128 1.00 24.55 C ATOM 0 H THR A 60 25.427 14.935 -16.437 1.00 25.34 H new ATOM 0 HA THR A 60 25.830 15.388 -14.321 1.00 53.12 H new ATOM 0 HB THR A 60 25.171 12.492 -13.706 1.00 72.14 H new ATOM 0 HG1 THR A 60 23.433 13.489 -14.831 1.00 12.01 H new ATOM 0 HG21 THR A 60 24.515 13.371 -11.502 1.00 24.55 H new ATOM 0 HG22 THR A 60 26.236 13.671 -11.843 1.00 24.55 H new ATOM 0 HG23 THR A 60 25.055 14.995 -11.991 1.00 24.55 H new ATOM 904 N ASP A 61 28.313 14.865 -14.542 1.00 33.13 N ATOM 905 CA ASP A 61 29.733 14.678 -14.290 1.00 24.12 C ATOM 906 C ASP A 61 30.187 15.660 -13.217 1.00 25.15 C ATOM 907 O ASP A 61 29.463 16.613 -12.898 1.00 35.34 O ATOM 908 CB ASP A 61 30.527 14.872 -15.587 1.00 2.25 C ATOM 909 CG ASP A 61 32.010 14.611 -15.421 1.00 11.43 C ATOM 910 OD1 ASP A 61 32.402 13.439 -15.255 1.00 12.31 O ATOM 911 OD2 ASP A 61 32.794 15.581 -15.444 1.00 4.15 O ATOM 0 H ASP A 61 28.082 15.749 -14.995 1.00 33.13 H new ATOM 0 HA ASP A 61 29.914 13.664 -13.935 1.00 24.12 H new ATOM 0 HB2 ASP A 61 30.130 14.205 -16.352 1.00 2.25 H new ATOM 0 HB3 ASP A 61 30.381 15.891 -15.946 1.00 2.25 H new ATOM 916 N LEU A 62 31.363 15.437 -12.649 1.00 21.55 N ATOM 917 CA LEU A 62 31.845 16.279 -11.567 1.00 3.00 C ATOM 918 C LEU A 62 32.462 17.569 -12.102 1.00 51.34 C ATOM 919 O LEU A 62 33.663 17.651 -12.365 1.00 51.51 O ATOM 920 CB LEU A 62 32.847 15.524 -10.691 1.00 71.54 C ATOM 921 CG LEU A 62 33.293 16.265 -9.425 1.00 32.22 C ATOM 922 CD1 LEU A 62 32.094 16.611 -8.553 1.00 31.24 C ATOM 923 CD2 LEU A 62 34.292 15.425 -8.646 1.00 22.21 C ATOM 0 H LEU A 62 31.997 14.685 -12.918 1.00 21.55 H new ATOM 0 HA LEU A 62 30.987 16.548 -10.951 1.00 3.00 H new ATOM 0 HB2 LEU A 62 32.405 14.572 -10.399 1.00 71.54 H new ATOM 0 HB3 LEU A 62 33.729 15.296 -11.289 1.00 71.54 H new ATOM 0 HG LEU A 62 33.777 17.195 -9.723 1.00 32.22 H new ATOM 0 HD11 LEU A 62 32.433 17.136 -7.660 1.00 31.24 H new ATOM 0 HD12 LEU A 62 31.410 17.250 -9.112 1.00 31.24 H new ATOM 0 HD13 LEU A 62 31.580 15.695 -8.262 1.00 31.24 H new ATOM 0 HD21 LEU A 62 34.600 15.964 -7.750 1.00 22.21 H new ATOM 0 HD22 LEU A 62 33.829 14.481 -8.360 1.00 22.21 H new ATOM 0 HD23 LEU A 62 35.165 15.228 -9.268 1.00 22.21 H new ATOM 935 N ARG A 63 31.613 18.557 -12.294 1.00 42.45 N ATOM 936 CA ARG A 63 32.047 19.902 -12.637 1.00 32.00 C ATOM 937 C ARG A 63 32.164 20.731 -11.356 1.00 0.32 C ATOM 938 O ARG A 63 31.748 20.264 -10.295 1.00 73.24 O ATOM 939 CB ARG A 63 31.058 20.544 -13.630 1.00 41.05 C ATOM 940 CG ARG A 63 29.633 20.016 -13.528 1.00 42.42 C ATOM 941 CD ARG A 63 29.007 20.299 -12.172 1.00 14.22 C ATOM 942 NE ARG A 63 28.197 19.174 -11.713 1.00 25.55 N ATOM 943 CZ ARG A 63 27.614 19.115 -10.519 1.00 25.12 C ATOM 944 NH1 ARG A 63 27.709 20.141 -9.678 1.00 1.23 N ATOM 945 NH2 ARG A 63 26.935 18.031 -10.170 1.00 53.21 N ATOM 0 H ARG A 63 30.601 18.454 -12.217 1.00 42.45 H new ATOM 0 HA ARG A 63 33.023 19.864 -13.121 1.00 32.00 H new ATOM 0 HB2 ARG A 63 31.046 21.622 -13.467 1.00 41.05 H new ATOM 0 HB3 ARG A 63 31.422 20.379 -14.644 1.00 41.05 H new ATOM 0 HG2 ARG A 63 29.023 20.470 -14.309 1.00 42.42 H new ATOM 0 HG3 ARG A 63 29.633 18.941 -13.708 1.00 42.42 H new ATOM 0 HD2 ARG A 63 29.791 20.506 -11.444 1.00 14.22 H new ATOM 0 HD3 ARG A 63 28.387 21.193 -12.235 1.00 14.22 H new ATOM 0 HE ARG A 63 28.071 18.385 -12.347 1.00 25.55 H new ATOM 0 HH11 ARG A 63 28.230 20.975 -9.948 1.00 1.23 H new ATOM 0 HH12 ARG A 63 27.261 20.093 -8.763 1.00 1.23 H new ATOM 0 HH21 ARG A 63 26.861 17.245 -10.816 1.00 53.21 H new ATOM 0 HH22 ARG A 63 26.487 17.983 -9.255 1.00 53.21 H new ATOM 959 N PRO A 64 32.745 21.950 -11.426 1.00 42.03 N ATOM 960 CA PRO A 64 32.850 22.856 -10.279 1.00 50.30 C ATOM 961 C PRO A 64 31.567 22.893 -9.451 1.00 15.45 C ATOM 962 O PRO A 64 30.465 22.962 -10.005 1.00 33.12 O ATOM 963 CB PRO A 64 33.111 24.230 -10.916 1.00 33.03 C ATOM 964 CG PRO A 64 33.131 24.010 -12.398 1.00 44.51 C ATOM 965 CD PRO A 64 33.363 22.542 -12.613 1.00 5.45 C ATOM 0 HA PRO A 64 33.632 22.540 -9.588 1.00 50.30 H new ATOM 0 HB2 PRO A 64 32.333 24.941 -10.639 1.00 33.03 H new ATOM 0 HB3 PRO A 64 34.059 24.644 -10.572 1.00 33.03 H new ATOM 0 HG2 PRO A 64 32.189 24.323 -12.848 1.00 44.51 H new ATOM 0 HG3 PRO A 64 33.920 24.599 -12.866 1.00 44.51 H new ATOM 0 HD2 PRO A 64 32.898 22.188 -13.533 1.00 5.45 H new ATOM 0 HD3 PRO A 64 34.425 22.304 -12.680 1.00 5.45 H new ATOM 973 N LYS A 65 31.719 22.826 -8.128 1.00 63.55 N ATOM 974 CA LYS A 65 30.574 22.816 -7.224 1.00 13.53 C ATOM 975 C LYS A 65 29.674 24.015 -7.503 1.00 63.33 C ATOM 976 O LYS A 65 30.147 25.147 -7.628 1.00 73.10 O ATOM 977 CB LYS A 65 31.020 22.798 -5.748 1.00 62.35 C ATOM 978 CG LYS A 65 31.610 24.106 -5.227 1.00 44.04 C ATOM 979 CD LYS A 65 32.974 24.412 -5.828 1.00 24.10 C ATOM 980 CE LYS A 65 33.495 25.758 -5.350 1.00 53.25 C ATOM 981 NZ LYS A 65 32.566 26.862 -5.706 1.00 31.21 N ATOM 0 H LYS A 65 32.625 22.778 -7.661 1.00 63.55 H new ATOM 0 HA LYS A 65 30.008 21.902 -7.405 1.00 13.53 H new ATOM 0 HB2 LYS A 65 30.162 22.534 -5.130 1.00 62.35 H new ATOM 0 HB3 LYS A 65 31.760 22.008 -5.619 1.00 62.35 H new ATOM 0 HG2 LYS A 65 30.926 24.924 -5.452 1.00 44.04 H new ATOM 0 HG3 LYS A 65 31.698 24.054 -4.142 1.00 44.04 H new ATOM 0 HD2 LYS A 65 33.680 23.628 -5.554 1.00 24.10 H new ATOM 0 HD3 LYS A 65 32.904 24.412 -6.916 1.00 24.10 H new ATOM 0 HE2 LYS A 65 33.633 25.732 -4.269 1.00 53.25 H new ATOM 0 HE3 LYS A 65 34.473 25.948 -5.792 1.00 53.25 H new ATOM 0 HZ1 LYS A 65 33.069 27.771 -5.649 1.00 31.21 H new ATOM 0 HZ2 LYS A 65 32.214 26.721 -6.675 1.00 31.21 H new ATOM 0 HZ3 LYS A 65 31.764 26.868 -5.044 1.00 31.21 H new ATOM 995 N SER A 66 28.386 23.759 -7.634 1.00 23.25 N ATOM 996 CA SER A 66 27.449 24.789 -8.031 1.00 12.53 C ATOM 997 C SER A 66 27.057 25.674 -6.849 1.00 33.45 C ATOM 998 O SER A 66 26.083 25.397 -6.144 1.00 53.54 O ATOM 999 CB SER A 66 26.214 24.145 -8.660 1.00 3.34 C ATOM 1000 OG SER A 66 26.585 23.281 -9.722 1.00 43.50 O ATOM 0 H SER A 66 27.966 22.844 -7.471 1.00 23.25 H new ATOM 0 HA SER A 66 27.933 25.430 -8.768 1.00 12.53 H new ATOM 0 HB2 SER A 66 25.665 23.584 -7.903 1.00 3.34 H new ATOM 0 HB3 SER A 66 25.543 24.920 -9.032 1.00 3.34 H new ATOM 0 HG SER A 66 25.781 22.877 -10.111 1.00 43.50 H new ATOM 1006 N LEU A 67 27.836 26.722 -6.617 1.00 44.51 N ATOM 1007 CA LEU A 67 27.497 27.699 -5.599 1.00 12.45 C ATOM 1008 C LEU A 67 26.599 28.754 -6.226 1.00 63.32 C ATOM 1009 O LEU A 67 27.060 29.796 -6.695 1.00 55.43 O ATOM 1010 CB LEU A 67 28.760 28.332 -4.999 1.00 61.34 C ATOM 1011 CG LEU A 67 28.591 28.984 -3.615 1.00 40.13 C ATOM 1012 CD1 LEU A 67 27.814 30.287 -3.697 1.00 43.43 C ATOM 1013 CD2 LEU A 67 27.905 28.021 -2.659 1.00 40.31 C ATOM 0 H LEU A 67 28.703 26.914 -7.119 1.00 44.51 H new ATOM 0 HA LEU A 67 26.970 27.209 -4.781 1.00 12.45 H new ATOM 0 HB2 LEU A 67 29.529 27.563 -4.926 1.00 61.34 H new ATOM 0 HB3 LEU A 67 29.129 29.087 -5.693 1.00 61.34 H new ATOM 0 HG LEU A 67 29.586 29.217 -3.236 1.00 40.13 H new ATOM 0 HD11 LEU A 67 27.716 30.716 -2.700 1.00 43.43 H new ATOM 0 HD12 LEU A 67 28.345 30.987 -4.343 1.00 43.43 H new ATOM 0 HD13 LEU A 67 26.823 30.094 -4.108 1.00 43.43 H new ATOM 0 HD21 LEU A 67 27.792 28.495 -1.684 1.00 40.31 H new ATOM 0 HD22 LEU A 67 26.922 27.758 -3.051 1.00 40.31 H new ATOM 0 HD23 LEU A 67 28.508 27.119 -2.556 1.00 40.31 H new ATOM 1025 N ARG A 68 25.320 28.439 -6.285 1.00 14.23 N ATOM 1026 CA ARG A 68 24.330 29.332 -6.854 1.00 22.22 C ATOM 1027 C ARG A 68 23.048 29.221 -6.050 1.00 73.40 C ATOM 1028 O ARG A 68 22.284 28.263 -6.202 1.00 12.31 O ATOM 1029 CB ARG A 68 24.091 28.978 -8.326 1.00 54.24 C ATOM 1030 CG ARG A 68 23.208 29.970 -9.064 1.00 45.11 C ATOM 1031 CD ARG A 68 23.221 29.714 -10.563 1.00 35.31 C ATOM 1032 NE ARG A 68 24.554 29.912 -11.144 1.00 31.44 N ATOM 1033 CZ ARG A 68 24.971 29.339 -12.276 1.00 50.02 C ATOM 1034 NH1 ARG A 68 24.181 28.499 -12.926 1.00 73.03 N ATOM 1035 NH2 ARG A 68 26.180 29.610 -12.755 1.00 42.20 N ATOM 0 H ARG A 68 24.938 27.558 -5.940 1.00 14.23 H new ATOM 0 HA ARG A 68 24.686 30.361 -6.812 1.00 22.22 H new ATOM 0 HB2 ARG A 68 25.053 28.915 -8.835 1.00 54.24 H new ATOM 0 HB3 ARG A 68 23.635 27.989 -8.382 1.00 54.24 H new ATOM 0 HG2 ARG A 68 22.187 29.899 -8.690 1.00 45.11 H new ATOM 0 HG3 ARG A 68 23.551 30.985 -8.863 1.00 45.11 H new ATOM 0 HD2 ARG A 68 22.888 28.695 -10.759 1.00 35.31 H new ATOM 0 HD3 ARG A 68 22.510 30.381 -11.051 1.00 35.31 H new ATOM 0 HE ARG A 68 25.203 30.526 -10.652 1.00 31.44 H new ATOM 0 HH11 ARG A 68 23.252 28.288 -12.563 1.00 73.03 H new ATOM 0 HH12 ARG A 68 24.502 28.063 -13.790 1.00 73.03 H new ATOM 0 HH21 ARG A 68 26.792 30.257 -12.258 1.00 42.20 H new ATOM 0 HH22 ARG A 68 26.496 29.171 -13.620 1.00 42.20 H new ATOM 1049 N ASP A 69 22.840 30.177 -5.162 1.00 43.42 N ATOM 1050 CA ASP A 69 21.719 30.126 -4.244 1.00 35.03 C ATOM 1051 C ASP A 69 20.957 31.444 -4.252 1.00 44.35 C ATOM 1052 O ASP A 69 21.562 32.521 -4.224 1.00 24.24 O ATOM 1053 CB ASP A 69 22.214 29.811 -2.832 1.00 15.24 C ATOM 1054 CG ASP A 69 21.080 29.547 -1.871 1.00 5.01 C ATOM 1055 OD1 ASP A 69 20.370 28.537 -2.057 1.00 2.22 O ATOM 1056 OD2 ASP A 69 20.896 30.339 -0.927 1.00 51.34 O ATOM 0 H ASP A 69 23.435 30.999 -5.058 1.00 43.42 H new ATOM 0 HA ASP A 69 21.041 29.336 -4.568 1.00 35.03 H new ATOM 0 HB2 ASP A 69 22.869 28.940 -2.865 1.00 15.24 H new ATOM 0 HB3 ASP A 69 22.811 30.645 -2.465 1.00 15.24 H new ATOM 1061 N ALA A 70 19.638 31.355 -4.305 1.00 31.34 N ATOM 1062 CA ALA A 70 18.785 32.531 -4.360 1.00 34.42 C ATOM 1063 C ALA A 70 17.376 32.174 -3.912 1.00 3.43 C ATOM 1064 O ALA A 70 17.042 30.993 -3.791 1.00 31.54 O ATOM 1065 CB ALA A 70 18.766 33.100 -5.769 1.00 74.14 C ATOM 0 H ALA A 70 19.130 30.470 -4.311 1.00 31.34 H new ATOM 0 HA ALA A 70 19.184 33.289 -3.686 1.00 34.42 H new ATOM 0 HB1 ALA A 70 18.124 33.980 -5.797 1.00 74.14 H new ATOM 0 HB2 ALA A 70 19.778 33.379 -6.062 1.00 74.14 H new ATOM 0 HB3 ALA A 70 18.383 32.349 -6.460 1.00 74.14 H new ATOM 1071 N MET A 71 16.558 33.187 -3.675 1.00 45.13 N ATOM 1072 CA MET A 71 15.176 32.966 -3.275 1.00 4.24 C ATOM 1073 C MET A 71 14.322 32.678 -4.503 1.00 23.21 C ATOM 1074 O MET A 71 13.862 33.594 -5.183 1.00 22.34 O ATOM 1075 CB MET A 71 14.624 34.178 -2.514 1.00 35.40 C ATOM 1076 CG MET A 71 13.175 34.015 -2.077 1.00 23.12 C ATOM 1077 SD MET A 71 12.549 35.455 -1.191 1.00 51.33 S ATOM 1078 CE MET A 71 10.867 34.938 -0.855 1.00 40.34 C ATOM 0 H MET A 71 16.825 34.168 -3.752 1.00 45.13 H new ATOM 0 HA MET A 71 15.143 32.106 -2.607 1.00 4.24 H new ATOM 0 HB2 MET A 71 15.242 34.356 -1.634 1.00 35.40 H new ATOM 0 HB3 MET A 71 14.707 35.062 -3.146 1.00 35.40 H new ATOM 0 HG2 MET A 71 12.553 33.835 -2.954 1.00 23.12 H new ATOM 0 HG3 MET A 71 13.089 33.135 -1.439 1.00 23.12 H new ATOM 0 HE1 MET A 71 10.321 35.758 -0.389 1.00 40.34 H new ATOM 0 HE2 MET A 71 10.378 34.661 -1.789 1.00 40.34 H new ATOM 0 HE3 MET A 71 10.877 34.080 -0.182 1.00 40.34 H new ATOM 1088 N VAL A 72 14.156 31.401 -4.806 1.00 63.22 N ATOM 1089 CA VAL A 72 13.347 30.985 -5.940 1.00 20.35 C ATOM 1090 C VAL A 72 12.122 30.226 -5.449 1.00 74.04 C ATOM 1091 O VAL A 72 12.171 29.014 -5.240 1.00 55.44 O ATOM 1092 CB VAL A 72 14.144 30.098 -6.925 1.00 25.34 C ATOM 1093 CG1 VAL A 72 13.313 29.784 -8.160 1.00 15.15 C ATOM 1094 CG2 VAL A 72 15.454 30.768 -7.316 1.00 1.10 C ATOM 0 H VAL A 72 14.572 30.632 -4.281 1.00 63.22 H new ATOM 0 HA VAL A 72 13.041 31.885 -6.473 1.00 20.35 H new ATOM 0 HB VAL A 72 14.378 29.159 -6.423 1.00 25.34 H new ATOM 0 HG11 VAL A 72 13.893 29.159 -8.839 1.00 15.15 H new ATOM 0 HG12 VAL A 72 12.407 29.255 -7.864 1.00 15.15 H new ATOM 0 HG13 VAL A 72 13.043 30.713 -8.663 1.00 15.15 H new ATOM 0 HG21 VAL A 72 15.998 30.126 -8.009 1.00 1.10 H new ATOM 0 HG22 VAL A 72 15.245 31.725 -7.795 1.00 1.10 H new ATOM 0 HG23 VAL A 72 16.058 30.933 -6.424 1.00 1.10 H new ATOM 1104 N GLU A 73 11.042 30.954 -5.221 1.00 42.10 N ATOM 1105 CA GLU A 73 9.811 30.357 -4.729 1.00 31.53 C ATOM 1106 C GLU A 73 8.600 31.166 -5.189 1.00 63.01 C ATOM 1107 O GLU A 73 8.701 31.968 -6.122 1.00 71.10 O ATOM 1108 CB GLU A 73 9.859 30.253 -3.201 1.00 14.44 C ATOM 1109 CG GLU A 73 10.216 31.555 -2.505 1.00 61.51 C ATOM 1110 CD GLU A 73 10.486 31.361 -1.031 1.00 54.52 C ATOM 1111 OE1 GLU A 73 9.527 31.397 -0.236 1.00 71.22 O ATOM 1112 OE2 GLU A 73 11.662 31.163 -0.659 1.00 45.14 O ATOM 0 H GLU A 73 10.992 31.962 -5.369 1.00 42.10 H new ATOM 0 HA GLU A 73 9.713 29.353 -5.141 1.00 31.53 H new ATOM 0 HB2 GLU A 73 8.888 29.914 -2.839 1.00 14.44 H new ATOM 0 HB3 GLU A 73 10.587 29.492 -2.921 1.00 14.44 H new ATOM 0 HG2 GLU A 73 11.096 31.989 -2.979 1.00 61.51 H new ATOM 0 HG3 GLU A 73 9.401 32.268 -2.632 1.00 61.51 H new ATOM 1119 N ASP A 74 7.464 30.944 -4.546 1.00 54.20 N ATOM 1120 CA ASP A 74 6.221 31.586 -4.940 1.00 62.35 C ATOM 1121 C ASP A 74 6.157 33.016 -4.414 1.00 53.00 C ATOM 1122 O ASP A 74 6.065 33.944 -5.243 1.00 23.45 O ATOM 1123 CB ASP A 74 5.010 30.772 -4.463 1.00 30.50 C ATOM 1124 CG ASP A 74 4.950 30.608 -2.957 1.00 30.14 C ATOM 1125 OD1 ASP A 74 5.838 29.933 -2.385 1.00 23.10 O ATOM 1126 OD2 ASP A 74 4.008 31.147 -2.334 1.00 50.44 O ATOM 1127 OXT ASP A 74 6.223 33.218 -3.186 1.00 0.00 O ATOM 0 H ASP A 74 7.378 30.320 -3.744 1.00 54.20 H new ATOM 0 HA ASP A 74 6.192 31.626 -6.029 1.00 62.35 H new ATOM 0 HB2 ASP A 74 4.097 31.259 -4.805 1.00 30.50 H new ATOM 0 HB3 ASP A 74 5.038 29.786 -4.928 1.00 30.50 H new TER 1132 ASP A 74