USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 466 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 19 ASN :FLIP amide:sc= -0.373 F(o=-2.3,f=-0.39) USER MOD Set 1.2: A 21 THR OG1 : rot 166:sc= -0.0147 USER MOD Set 2.1: A 2 ASN : amide:sc= 1.31 K(o=2,f=0.48) USER MOD Set 2.2: A 11 THR OG1 : rot -94:sc= 0.721 USER MOD Single : A 1 MET CE :methyl 173:sc= -0.301 (180deg=-0.437) USER MOD Single : A 1 MET N :NH3+ 128:sc= 1.25 (180deg=-0.368) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.902 K(o=0.9,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= -0.0068 (180deg=-0.109) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.231 F(o=-2.4,f=-0.23) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.5) USER MOD Single : A 52 THR OG1 : rot 76:sc= 1 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= 0.612! (180deg=-1.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.137 -11.309 -2.185 1.00 52.32 N ATOM 2 CA MET A 1 -2.284 -10.656 -1.152 1.00 25.12 C ATOM 3 C MET A 1 -2.895 -9.328 -0.684 1.00 20.51 C ATOM 4 O MET A 1 -3.493 -8.592 -1.473 1.00 31.31 O ATOM 5 CB MET A 1 -0.862 -10.410 -1.694 1.00 1.40 C ATOM 6 CG MET A 1 -0.808 -9.434 -2.862 1.00 71.10 C ATOM 7 SD MET A 1 0.874 -9.045 -3.389 1.00 3.11 S ATOM 8 CE MET A 1 1.448 -10.644 -3.953 1.00 10.42 C ATOM 0 H1 MET A 1 -2.557 -11.545 -3.015 1.00 52.32 H new ATOM 0 H2 MET A 1 -3.552 -12.179 -1.794 1.00 52.32 H new ATOM 0 H3 MET A 1 -3.898 -10.659 -2.468 1.00 52.32 H new ATOM 0 HA MET A 1 -2.229 -11.332 -0.299 1.00 25.12 H new ATOM 0 HB2 MET A 1 -0.236 -10.030 -0.886 1.00 1.40 H new ATOM 0 HB3 MET A 1 -0.434 -11.362 -2.008 1.00 1.40 H new ATOM 0 HG2 MET A 1 -1.357 -9.855 -3.704 1.00 71.10 H new ATOM 0 HG3 MET A 1 -1.316 -8.512 -2.580 1.00 71.10 H new ATOM 0 HE1 MET A 1 2.426 -10.535 -4.422 1.00 10.42 H new ATOM 0 HE2 MET A 1 1.526 -11.323 -3.104 1.00 10.42 H new ATOM 0 HE3 MET A 1 0.742 -11.049 -4.678 1.00 10.42 H new ATOM 20 N ASN A 2 -2.741 -9.029 0.603 1.00 65.12 N ATOM 21 CA ASN A 2 -3.244 -7.785 1.183 1.00 65.23 C ATOM 22 C ASN A 2 -2.105 -6.770 1.364 1.00 44.40 C ATOM 23 O ASN A 2 -1.260 -6.916 2.249 1.00 43.00 O ATOM 24 CB ASN A 2 -3.913 -8.070 2.532 1.00 2.04 C ATOM 25 CG ASN A 2 -5.037 -9.080 2.411 1.00 70.03 C ATOM 26 OD1 ASN A 2 -6.191 -8.723 2.187 1.00 23.03 O ATOM 27 ND2 ASN A 2 -4.711 -10.351 2.540 1.00 72.35 N ATOM 0 H ASN A 2 -2.267 -9.637 1.271 1.00 65.12 H new ATOM 0 HA ASN A 2 -3.980 -7.358 0.501 1.00 65.23 H new ATOM 0 HB2 ASN A 2 -3.167 -8.441 3.234 1.00 2.04 H new ATOM 0 HB3 ASN A 2 -4.305 -7.140 2.945 1.00 2.04 H new ATOM 0 HD21 ASN A 2 -5.427 -11.072 2.454 1.00 72.35 H new ATOM 0 HD22 ASN A 2 -3.743 -10.613 2.726 1.00 72.35 H new ATOM 34 N LEU A 3 -2.078 -5.750 0.513 1.00 30.42 N ATOM 35 CA LEU A 3 -1.018 -4.734 0.546 1.00 44.32 C ATOM 36 C LEU A 3 -1.484 -3.456 1.259 1.00 4.22 C ATOM 37 O LEU A 3 -2.638 -3.345 1.669 1.00 13.30 O ATOM 38 CB LEU A 3 -0.578 -4.402 -0.888 1.00 63.15 C ATOM 39 CG LEU A 3 -0.077 -5.603 -1.706 1.00 41.24 C ATOM 40 CD1 LEU A 3 0.324 -5.179 -3.115 1.00 32.12 C ATOM 41 CD2 LEU A 3 1.088 -6.285 -0.994 1.00 45.25 C ATOM 0 H LEU A 3 -2.779 -5.600 -0.213 1.00 30.42 H new ATOM 0 HA LEU A 3 -0.176 -5.140 1.106 1.00 44.32 H new ATOM 0 HB2 LEU A 3 -1.418 -3.948 -1.414 1.00 63.15 H new ATOM 0 HB3 LEU A 3 0.214 -3.654 -0.846 1.00 63.15 H new ATOM 0 HG LEU A 3 -0.895 -6.318 -1.793 1.00 41.24 H new ATOM 0 HD11 LEU A 3 0.674 -6.049 -3.671 1.00 32.12 H new ATOM 0 HD12 LEU A 3 -0.537 -4.746 -3.624 1.00 32.12 H new ATOM 0 HD13 LEU A 3 1.122 -4.439 -3.059 1.00 32.12 H new ATOM 0 HD21 LEU A 3 1.430 -7.133 -1.587 1.00 45.25 H new ATOM 0 HD22 LEU A 3 1.905 -5.575 -0.871 1.00 45.25 H new ATOM 0 HD23 LEU A 3 0.761 -6.635 -0.015 1.00 45.25 H new ATOM 53 N THR A 4 -0.579 -2.495 1.411 1.00 4.23 N ATOM 54 CA THR A 4 -0.914 -1.197 2.012 1.00 12.53 C ATOM 55 C THR A 4 -0.406 -0.042 1.142 1.00 13.44 C ATOM 56 O THR A 4 0.796 0.174 1.022 1.00 3.44 O ATOM 57 CB THR A 4 -0.325 -1.053 3.440 1.00 51.21 C ATOM 58 OG1 THR A 4 -0.840 -2.087 4.298 1.00 24.11 O ATOM 59 CG2 THR A 4 -0.652 0.309 4.046 1.00 54.03 C ATOM 0 H THR A 4 0.397 -2.585 1.127 1.00 4.23 H new ATOM 0 HA THR A 4 -2.001 -1.154 2.077 1.00 12.53 H new ATOM 0 HB THR A 4 0.758 -1.145 3.357 1.00 51.21 H new ATOM 0 HG1 THR A 4 -0.460 -1.987 5.196 1.00 24.11 H new ATOM 0 HG21 THR A 4 -0.224 0.374 5.046 1.00 54.03 H new ATOM 0 HG22 THR A 4 -0.233 1.096 3.419 1.00 54.03 H new ATOM 0 HG23 THR A 4 -1.734 0.430 4.106 1.00 54.03 H new ATOM 67 N VAL A 5 -1.331 0.690 0.530 1.00 41.02 N ATOM 68 CA VAL A 5 -0.982 1.821 -0.335 1.00 60.05 C ATOM 69 C VAL A 5 -1.259 3.169 0.356 1.00 71.41 C ATOM 70 O VAL A 5 -2.395 3.473 0.718 1.00 22.35 O ATOM 71 CB VAL A 5 -1.745 1.754 -1.689 1.00 44.01 C ATOM 72 CG1 VAL A 5 -1.308 0.528 -2.492 1.00 50.42 C ATOM 73 CG2 VAL A 5 -3.260 1.745 -1.470 1.00 14.43 C ATOM 0 H VAL A 5 -2.334 0.522 0.615 1.00 41.02 H new ATOM 0 HA VAL A 5 0.087 1.749 -0.533 1.00 60.05 H new ATOM 0 HB VAL A 5 -1.495 2.648 -2.260 1.00 44.01 H new ATOM 0 HG11 VAL A 5 -1.853 0.498 -3.436 1.00 50.42 H new ATOM 0 HG12 VAL A 5 -0.238 0.587 -2.692 1.00 50.42 H new ATOM 0 HG13 VAL A 5 -1.521 -0.376 -1.921 1.00 50.42 H new ATOM 0 HG21 VAL A 5 -3.767 1.698 -2.434 1.00 14.43 H new ATOM 0 HG22 VAL A 5 -3.536 0.876 -0.872 1.00 14.43 H new ATOM 0 HG23 VAL A 5 -3.558 2.654 -0.948 1.00 14.43 H new ATOM 83 N ASN A 6 -0.204 3.964 0.554 1.00 45.03 N ATOM 84 CA ASN A 6 -0.320 5.299 1.175 1.00 74.25 C ATOM 85 C ASN A 6 -0.851 5.218 2.620 1.00 55.23 C ATOM 86 O ASN A 6 -1.378 6.197 3.157 1.00 43.32 O ATOM 87 CB ASN A 6 -1.232 6.210 0.335 1.00 64.44 C ATOM 88 CG ASN A 6 -0.735 6.384 -1.088 1.00 21.11 C ATOM 89 OD1 ASN A 6 0.068 7.261 -1.377 1.00 70.40 O ATOM 90 ND2 ASN A 6 -1.220 5.559 -1.993 1.00 20.14 N ATOM 0 H ASN A 6 0.749 3.710 0.293 1.00 45.03 H new ATOM 0 HA ASN A 6 0.683 5.725 1.209 1.00 74.25 H new ATOM 0 HB2 ASN A 6 -2.238 5.791 0.315 1.00 64.44 H new ATOM 0 HB3 ASN A 6 -1.302 7.187 0.813 1.00 64.44 H new ATOM 0 HD21 ASN A 6 -0.927 5.641 -2.967 1.00 20.14 H new ATOM 0 HD22 ASN A 6 -1.888 4.838 -1.720 1.00 20.14 H new ATOM 97 N GLY A 7 -0.694 4.056 3.250 1.00 2.52 N ATOM 98 CA GLY A 7 -1.205 3.855 4.605 1.00 10.23 C ATOM 99 C GLY A 7 -2.590 3.205 4.641 1.00 10.10 C ATOM 100 O GLY A 7 -3.136 2.954 5.716 1.00 63.23 O ATOM 0 H GLY A 7 -0.222 3.246 2.849 1.00 2.52 H new ATOM 0 HA2 GLY A 7 -0.505 3.232 5.161 1.00 10.23 H new ATOM 0 HA3 GLY A 7 -1.250 4.817 5.115 1.00 10.23 H new ATOM 104 N LYS A 8 -3.156 2.925 3.467 1.00 25.24 N ATOM 105 CA LYS A 8 -4.486 2.304 3.369 1.00 11.44 C ATOM 106 C LYS A 8 -4.390 0.857 2.854 1.00 22.25 C ATOM 107 O LYS A 8 -3.589 0.556 1.970 1.00 20.35 O ATOM 108 CB LYS A 8 -5.392 3.129 2.440 1.00 21.11 C ATOM 109 CG LYS A 8 -5.597 4.573 2.895 1.00 65.15 C ATOM 110 CD LYS A 8 -6.243 4.659 4.277 1.00 30.44 C ATOM 111 CE LYS A 8 -6.409 6.106 4.733 1.00 14.53 C ATOM 112 NZ LYS A 8 -7.307 6.883 3.835 1.00 12.23 N ATOM 0 H LYS A 8 -2.717 3.117 2.567 1.00 25.24 H new ATOM 0 HA LYS A 8 -4.919 2.283 4.369 1.00 11.44 H new ATOM 0 HB2 LYS A 8 -4.962 3.132 1.438 1.00 21.11 H new ATOM 0 HB3 LYS A 8 -6.363 2.640 2.368 1.00 21.11 H new ATOM 0 HG2 LYS A 8 -4.635 5.086 2.913 1.00 65.15 H new ATOM 0 HG3 LYS A 8 -6.223 5.095 2.171 1.00 65.15 H new ATOM 0 HD2 LYS A 8 -7.217 4.170 4.254 1.00 30.44 H new ATOM 0 HD3 LYS A 8 -5.632 4.118 4.999 1.00 30.44 H new ATOM 0 HE2 LYS A 8 -6.811 6.121 5.746 1.00 14.53 H new ATOM 0 HE3 LYS A 8 -5.432 6.587 4.770 1.00 14.53 H new ATOM 0 HZ1 LYS A 8 -7.525 7.801 4.272 1.00 12.23 H new ATOM 0 HZ2 LYS A 8 -6.835 7.037 2.921 1.00 12.23 H new ATOM 0 HZ3 LYS A 8 -8.189 6.354 3.684 1.00 12.23 H new ATOM 126 N PRO A 9 -5.216 -0.061 3.390 1.00 25.31 N ATOM 127 CA PRO A 9 -5.176 -1.481 3.002 1.00 51.10 C ATOM 128 C PRO A 9 -5.779 -1.741 1.607 1.00 11.12 C ATOM 129 O PRO A 9 -6.949 -1.452 1.353 1.00 44.45 O ATOM 130 CB PRO A 9 -6.003 -2.164 4.099 1.00 60.53 C ATOM 131 CG PRO A 9 -6.961 -1.117 4.566 1.00 32.21 C ATOM 132 CD PRO A 9 -6.257 0.209 4.404 1.00 24.24 C ATOM 0 HA PRO A 9 -4.155 -1.855 2.923 1.00 51.10 H new ATOM 0 HB2 PRO A 9 -6.529 -3.036 3.712 1.00 60.53 H new ATOM 0 HB3 PRO A 9 -5.368 -2.511 4.914 1.00 60.53 H new ATOM 0 HG2 PRO A 9 -7.880 -1.143 3.980 1.00 32.21 H new ATOM 0 HG3 PRO A 9 -7.241 -1.283 5.606 1.00 32.21 H new ATOM 0 HD2 PRO A 9 -6.944 0.988 4.073 1.00 24.24 H new ATOM 0 HD3 PRO A 9 -5.821 0.547 5.344 1.00 24.24 H new ATOM 140 N SER A 10 -4.966 -2.276 0.697 1.00 14.32 N ATOM 141 CA SER A 10 -5.416 -2.584 -0.669 1.00 64.32 C ATOM 142 C SER A 10 -5.263 -4.077 -0.988 1.00 54.41 C ATOM 143 O SER A 10 -4.148 -4.597 -1.073 1.00 50.14 O ATOM 144 CB SER A 10 -4.634 -1.757 -1.700 1.00 33.34 C ATOM 145 OG SER A 10 -5.126 -1.977 -3.015 1.00 53.51 O ATOM 0 H SER A 10 -3.989 -2.507 0.877 1.00 14.32 H new ATOM 0 HA SER A 10 -6.473 -2.324 -0.726 1.00 64.32 H new ATOM 0 HB2 SER A 10 -4.709 -0.698 -1.453 1.00 33.34 H new ATOM 0 HB3 SER A 10 -3.577 -2.020 -1.655 1.00 33.34 H new ATOM 0 HG SER A 10 -4.612 -1.437 -3.651 1.00 53.51 H new ATOM 151 N THR A 11 -6.389 -4.758 -1.166 1.00 23.35 N ATOM 152 CA THR A 11 -6.393 -6.197 -1.462 1.00 54.21 C ATOM 153 C THR A 11 -6.475 -6.459 -2.972 1.00 63.15 C ATOM 154 O THR A 11 -7.502 -6.206 -3.599 1.00 31.05 O ATOM 155 CB THR A 11 -7.584 -6.907 -0.772 1.00 14.01 C ATOM 156 OG1 THR A 11 -7.547 -6.669 0.645 1.00 31.53 O ATOM 157 CG2 THR A 11 -7.560 -8.413 -1.034 1.00 23.30 C ATOM 0 H THR A 11 -7.318 -4.340 -1.111 1.00 23.35 H new ATOM 0 HA THR A 11 -5.455 -6.598 -1.077 1.00 54.21 H new ATOM 0 HB THR A 11 -8.503 -6.497 -1.191 1.00 14.01 H new ATOM 0 HG1 THR A 11 -7.076 -7.405 1.088 1.00 31.53 H new ATOM 0 HG21 THR A 11 -8.409 -8.882 -0.536 1.00 23.30 H new ATOM 0 HG22 THR A 11 -7.621 -8.597 -2.107 1.00 23.30 H new ATOM 0 HG23 THR A 11 -6.633 -8.835 -0.646 1.00 23.30 H new ATOM 165 N VAL A 12 -5.388 -6.957 -3.557 1.00 11.11 N ATOM 166 CA VAL A 12 -5.375 -7.310 -4.982 1.00 32.41 C ATOM 167 C VAL A 12 -5.716 -8.796 -5.184 1.00 72.40 C ATOM 168 O VAL A 12 -5.076 -9.683 -4.607 1.00 32.32 O ATOM 169 CB VAL A 12 -4.013 -6.974 -5.647 1.00 41.21 C ATOM 170 CG1 VAL A 12 -3.829 -5.460 -5.750 1.00 31.32 C ATOM 171 CG2 VAL A 12 -2.860 -7.605 -4.872 1.00 72.12 C ATOM 0 H VAL A 12 -4.507 -7.126 -3.072 1.00 11.11 H new ATOM 0 HA VAL A 12 -6.141 -6.707 -5.469 1.00 32.41 H new ATOM 0 HB VAL A 12 -4.012 -7.392 -6.654 1.00 41.21 H new ATOM 0 HG11 VAL A 12 -2.869 -5.241 -6.218 1.00 31.32 H new ATOM 0 HG12 VAL A 12 -4.632 -5.036 -6.353 1.00 31.32 H new ATOM 0 HG13 VAL A 12 -3.854 -5.022 -4.752 1.00 31.32 H new ATOM 0 HG21 VAL A 12 -1.916 -7.356 -5.357 1.00 72.12 H new ATOM 0 HG22 VAL A 12 -2.856 -7.223 -3.851 1.00 72.12 H new ATOM 0 HG23 VAL A 12 -2.984 -8.688 -4.854 1.00 72.12 H new ATOM 181 N ASP A 13 -6.736 -9.057 -5.998 1.00 35.14 N ATOM 182 CA ASP A 13 -7.256 -10.417 -6.187 1.00 45.44 C ATOM 183 C ASP A 13 -6.333 -11.267 -7.085 1.00 13.01 C ATOM 184 O ASP A 13 -5.712 -10.758 -8.023 1.00 21.32 O ATOM 185 CB ASP A 13 -8.670 -10.346 -6.780 1.00 62.24 C ATOM 186 CG ASP A 13 -9.375 -11.690 -6.771 1.00 10.25 C ATOM 187 OD1 ASP A 13 -9.708 -12.184 -5.671 1.00 54.30 O ATOM 188 OD2 ASP A 13 -9.610 -12.257 -7.855 1.00 0.42 O ATOM 0 H ASP A 13 -7.223 -8.344 -6.541 1.00 35.14 H new ATOM 0 HA ASP A 13 -7.292 -10.906 -5.213 1.00 45.44 H new ATOM 0 HB2 ASP A 13 -9.261 -9.626 -6.214 1.00 62.24 H new ATOM 0 HB3 ASP A 13 -8.612 -9.977 -7.804 1.00 62.24 H new ATOM 193 N GLY A 14 -6.238 -12.563 -6.774 1.00 70.12 N ATOM 194 CA GLY A 14 -5.408 -13.480 -7.554 1.00 51.44 C ATOM 195 C GLY A 14 -3.930 -13.455 -7.165 1.00 54.10 C ATOM 196 O GLY A 14 -3.322 -14.505 -6.932 1.00 62.01 O ATOM 0 H GLY A 14 -6.724 -12.998 -5.990 1.00 70.12 H new ATOM 0 HA2 GLY A 14 -5.789 -14.494 -7.432 1.00 51.44 H new ATOM 0 HA3 GLY A 14 -5.500 -13.230 -8.611 1.00 51.44 H new ATOM 200 N ALA A 15 -3.358 -12.255 -7.088 1.00 20.13 N ATOM 201 CA ALA A 15 -1.933 -12.069 -6.794 1.00 21.24 C ATOM 202 C ALA A 15 -1.515 -12.655 -5.430 1.00 42.30 C ATOM 203 O ALA A 15 -1.829 -12.097 -4.376 1.00 45.45 O ATOM 204 CB ALA A 15 -1.591 -10.586 -6.854 1.00 45.24 C ATOM 0 H ALA A 15 -3.867 -11.382 -7.227 1.00 20.13 H new ATOM 0 HA ALA A 15 -1.374 -12.618 -7.552 1.00 21.24 H new ATOM 0 HB1 ALA A 15 -0.532 -10.448 -6.636 1.00 45.24 H new ATOM 0 HB2 ALA A 15 -1.809 -10.202 -7.851 1.00 45.24 H new ATOM 0 HB3 ALA A 15 -2.187 -10.045 -6.119 1.00 45.24 H new ATOM 210 N GLU A 16 -0.813 -13.791 -5.464 1.00 75.02 N ATOM 211 CA GLU A 16 -0.219 -14.384 -4.256 1.00 50.13 C ATOM 212 C GLU A 16 1.299 -14.121 -4.196 1.00 32.23 C ATOM 213 O GLU A 16 1.835 -13.759 -3.148 1.00 23.21 O ATOM 214 CB GLU A 16 -0.500 -15.896 -4.200 1.00 44.24 C ATOM 215 CG GLU A 16 -0.060 -16.657 -5.447 1.00 64.21 C ATOM 216 CD GLU A 16 -0.259 -18.158 -5.329 1.00 2.53 C ATOM 217 OE1 GLU A 16 -1.416 -18.617 -5.416 1.00 34.34 O ATOM 218 OE2 GLU A 16 0.742 -18.888 -5.158 1.00 2.54 O ATOM 0 H GLU A 16 -0.640 -14.323 -6.317 1.00 75.02 H new ATOM 0 HA GLU A 16 -0.681 -13.910 -3.390 1.00 50.13 H new ATOM 0 HB2 GLU A 16 0.007 -16.317 -3.332 1.00 44.24 H new ATOM 0 HB3 GLU A 16 -1.569 -16.051 -4.051 1.00 44.24 H new ATOM 0 HG2 GLU A 16 -0.620 -16.289 -6.307 1.00 64.21 H new ATOM 0 HG3 GLU A 16 0.993 -16.450 -5.639 1.00 64.21 H new ATOM 225 N SER A 17 1.985 -14.303 -5.328 1.00 73.23 N ATOM 226 CA SER A 17 3.429 -14.019 -5.432 1.00 61.40 C ATOM 227 C SER A 17 3.766 -13.393 -6.791 1.00 33.44 C ATOM 228 O SER A 17 3.417 -13.938 -7.838 1.00 2.35 O ATOM 229 CB SER A 17 4.260 -15.303 -5.252 1.00 43.22 C ATOM 230 OG SER A 17 4.003 -15.929 -4.002 1.00 3.44 O ATOM 0 H SER A 17 1.566 -14.647 -6.192 1.00 73.23 H new ATOM 0 HA SER A 17 3.679 -13.316 -4.637 1.00 61.40 H new ATOM 0 HB2 SER A 17 4.033 -15.999 -6.060 1.00 43.22 H new ATOM 0 HB3 SER A 17 5.321 -15.063 -5.327 1.00 43.22 H new ATOM 0 HG SER A 17 4.547 -16.741 -3.925 1.00 3.44 H new ATOM 236 N LEU A 18 4.431 -12.240 -6.768 1.00 3.42 N ATOM 237 CA LEU A 18 4.870 -11.568 -7.999 1.00 22.33 C ATOM 238 C LEU A 18 5.913 -10.482 -7.706 1.00 5.22 C ATOM 239 O LEU A 18 6.151 -10.135 -6.551 1.00 40.52 O ATOM 240 CB LEU A 18 3.661 -10.975 -8.762 1.00 13.43 C ATOM 241 CG LEU A 18 2.648 -10.142 -7.937 1.00 63.04 C ATOM 242 CD1 LEU A 18 3.259 -8.835 -7.429 1.00 55.10 C ATOM 243 CD2 LEU A 18 1.395 -9.858 -8.766 1.00 15.31 C ATOM 0 H LEU A 18 4.680 -11.747 -5.911 1.00 3.42 H new ATOM 0 HA LEU A 18 5.343 -12.318 -8.633 1.00 22.33 H new ATOM 0 HB2 LEU A 18 4.043 -10.345 -9.565 1.00 13.43 H new ATOM 0 HB3 LEU A 18 3.121 -11.797 -9.232 1.00 13.43 H new ATOM 0 HG LEU A 18 2.373 -10.733 -7.064 1.00 63.04 H new ATOM 0 HD11 LEU A 18 2.514 -8.283 -6.856 1.00 55.10 H new ATOM 0 HD12 LEU A 18 4.115 -9.057 -6.792 1.00 55.10 H new ATOM 0 HD13 LEU A 18 3.584 -8.232 -8.277 1.00 55.10 H new ATOM 0 HD21 LEU A 18 0.692 -9.272 -8.174 1.00 15.31 H new ATOM 0 HD22 LEU A 18 1.670 -9.299 -9.661 1.00 15.31 H new ATOM 0 HD23 LEU A 18 0.929 -10.800 -9.055 1.00 15.31 H new ATOM 255 N ASN A 19 6.539 -9.953 -8.751 1.00 13.33 N ATOM 256 CA ASN A 19 7.454 -8.819 -8.596 1.00 75.53 C ATOM 257 C ASN A 19 6.775 -7.514 -9.050 1.00 34.33 C ATOM 258 O ASN A 19 5.785 -7.549 -9.787 1.00 33.04 O ATOM 259 CB ASN A 19 8.765 -9.067 -9.358 1.00 21.52 C ATOM 260 CG ASN A 19 8.571 -9.239 -10.851 1.00 21.40 C ATOM 261 OD1 ASN A 19 8.811 -8.188 -11.608 1.00 23.23 O flip ATOM 262 ND2 ASN A 19 8.240 -10.317 -11.328 1.00 21.25 N flip ATOM 0 H ASN A 19 6.434 -10.285 -9.710 1.00 13.33 H new ATOM 0 HA ASN A 19 7.704 -8.716 -7.540 1.00 75.53 H new ATOM 0 HB2 ASN A 19 9.443 -8.232 -9.181 1.00 21.52 H new ATOM 0 HB3 ASN A 19 9.247 -9.959 -8.957 1.00 21.52 H new ATOM 0 HD21 ASN A 19 8.061 -11.112 -10.715 1.00 21.25 H new ATOM 0 HD22 ASN A 19 8.143 -10.420 -12.338 1.00 21.25 H new ATOM 269 N VAL A 20 7.308 -6.373 -8.610 1.00 62.55 N ATOM 270 CA VAL A 20 6.665 -5.063 -8.835 1.00 12.41 C ATOM 271 C VAL A 20 6.223 -4.855 -10.295 1.00 21.04 C ATOM 272 O VAL A 20 5.140 -4.329 -10.544 1.00 43.30 O ATOM 273 CB VAL A 20 7.591 -3.900 -8.404 1.00 21.24 C ATOM 274 CG1 VAL A 20 6.918 -2.545 -8.622 1.00 21.13 C ATOM 275 CG2 VAL A 20 8.003 -4.072 -6.946 1.00 54.41 C ATOM 0 H VAL A 20 8.186 -6.322 -8.093 1.00 62.55 H new ATOM 0 HA VAL A 20 5.769 -5.062 -8.214 1.00 12.41 H new ATOM 0 HB VAL A 20 8.485 -3.926 -9.027 1.00 21.24 H new ATOM 0 HG11 VAL A 20 7.594 -1.749 -8.310 1.00 21.13 H new ATOM 0 HG12 VAL A 20 6.678 -2.424 -9.678 1.00 21.13 H new ATOM 0 HG13 VAL A 20 6.002 -2.495 -8.034 1.00 21.13 H new ATOM 0 HG21 VAL A 20 8.654 -3.249 -6.652 1.00 54.41 H new ATOM 0 HG22 VAL A 20 7.114 -4.075 -6.315 1.00 54.41 H new ATOM 0 HG23 VAL A 20 8.535 -5.016 -6.827 1.00 54.41 H new ATOM 285 N THR A 21 7.054 -5.275 -11.251 1.00 65.30 N ATOM 286 CA THR A 21 6.701 -5.197 -12.683 1.00 15.45 C ATOM 287 C THR A 21 5.292 -5.751 -12.949 1.00 20.04 C ATOM 288 O THR A 21 4.482 -5.128 -13.636 1.00 54.01 O ATOM 289 CB THR A 21 7.700 -5.989 -13.566 1.00 41.04 C ATOM 290 OG1 THR A 21 9.048 -5.632 -13.240 1.00 25.04 O ATOM 291 CG2 THR A 21 7.457 -5.735 -15.051 1.00 42.35 C ATOM 0 H THR A 21 7.975 -5.673 -11.067 1.00 65.30 H new ATOM 0 HA THR A 21 6.739 -4.139 -12.943 1.00 15.45 H new ATOM 0 HB THR A 21 7.542 -7.049 -13.365 1.00 41.04 H new ATOM 0 HG1 THR A 21 9.664 -6.283 -13.636 1.00 25.04 H new ATOM 0 HG21 THR A 21 8.175 -6.306 -15.640 1.00 42.35 H new ATOM 0 HG22 THR A 21 6.445 -6.045 -15.312 1.00 42.35 H new ATOM 0 HG23 THR A 21 7.577 -4.673 -15.263 1.00 42.35 H new ATOM 299 N GLU A 22 5.007 -6.927 -12.391 1.00 74.03 N ATOM 300 CA GLU A 22 3.708 -7.586 -12.576 1.00 42.33 C ATOM 301 C GLU A 22 2.605 -6.879 -11.768 1.00 21.53 C ATOM 302 O GLU A 22 1.446 -6.818 -12.190 1.00 31.22 O ATOM 303 CB GLU A 22 3.810 -9.065 -12.174 1.00 74.03 C ATOM 304 CG GLU A 22 4.928 -9.813 -12.898 1.00 63.15 C ATOM 305 CD GLU A 22 5.043 -11.272 -12.482 1.00 42.22 C ATOM 306 OE1 GLU A 22 5.506 -11.539 -11.356 1.00 41.14 O ATOM 307 OE2 GLU A 22 4.681 -12.159 -13.285 1.00 14.41 O ATOM 0 H GLU A 22 5.659 -7.447 -11.804 1.00 74.03 H new ATOM 0 HA GLU A 22 3.437 -7.523 -13.630 1.00 42.33 H new ATOM 0 HB2 GLU A 22 3.975 -9.131 -11.099 1.00 74.03 H new ATOM 0 HB3 GLU A 22 2.860 -9.557 -12.381 1.00 74.03 H new ATOM 0 HG2 GLU A 22 4.754 -9.761 -13.973 1.00 63.15 H new ATOM 0 HG3 GLU A 22 5.876 -9.311 -12.704 1.00 63.15 H new ATOM 314 N LEU A 23 2.980 -6.334 -10.609 1.00 25.31 N ATOM 315 CA LEU A 23 2.059 -5.546 -9.782 1.00 45.15 C ATOM 316 C LEU A 23 1.589 -4.298 -10.550 1.00 33.32 C ATOM 317 O LEU A 23 0.410 -3.942 -10.523 1.00 11.20 O ATOM 318 CB LEU A 23 2.752 -5.158 -8.455 1.00 10.43 C ATOM 319 CG LEU A 23 1.857 -4.566 -7.339 1.00 25.40 C ATOM 320 CD1 LEU A 23 1.481 -3.108 -7.618 1.00 40.12 C ATOM 321 CD2 LEU A 23 0.604 -5.420 -7.140 1.00 73.53 C ATOM 0 H LEU A 23 3.918 -6.424 -10.219 1.00 25.31 H new ATOM 0 HA LEU A 23 1.179 -6.145 -9.548 1.00 45.15 H new ATOM 0 HB2 LEU A 23 3.245 -6.046 -8.058 1.00 10.43 H new ATOM 0 HB3 LEU A 23 3.534 -4.434 -8.681 1.00 10.43 H new ATOM 0 HG LEU A 23 2.438 -4.580 -6.417 1.00 25.40 H new ATOM 0 HD11 LEU A 23 0.853 -2.733 -6.810 1.00 40.12 H new ATOM 0 HD12 LEU A 23 2.387 -2.505 -7.683 1.00 40.12 H new ATOM 0 HD13 LEU A 23 0.935 -3.047 -8.560 1.00 40.12 H new ATOM 0 HD21 LEU A 23 -0.011 -4.986 -6.351 1.00 73.53 H new ATOM 0 HD22 LEU A 23 0.034 -5.451 -8.068 1.00 73.53 H new ATOM 0 HD23 LEU A 23 0.894 -6.432 -6.858 1.00 73.53 H new ATOM 333 N LEU A 24 2.524 -3.653 -11.253 1.00 73.44 N ATOM 334 CA LEU A 24 2.218 -2.475 -12.080 1.00 53.21 C ATOM 335 C LEU A 24 1.132 -2.786 -13.125 1.00 70.02 C ATOM 336 O LEU A 24 0.381 -1.902 -13.546 1.00 3.53 O ATOM 337 CB LEU A 24 3.488 -1.979 -12.789 1.00 74.12 C ATOM 338 CG LEU A 24 4.641 -1.545 -11.865 1.00 54.45 C ATOM 339 CD1 LEU A 24 5.858 -1.113 -12.682 1.00 72.32 C ATOM 340 CD2 LEU A 24 4.198 -0.427 -10.921 1.00 53.34 C ATOM 0 H LEU A 24 3.506 -3.927 -11.268 1.00 73.44 H new ATOM 0 HA LEU A 24 1.841 -1.696 -11.417 1.00 53.21 H new ATOM 0 HB2 LEU A 24 3.850 -2.772 -13.444 1.00 74.12 H new ATOM 0 HB3 LEU A 24 3.221 -1.136 -13.427 1.00 74.12 H new ATOM 0 HG LEU A 24 4.925 -2.404 -11.258 1.00 54.45 H new ATOM 0 HD11 LEU A 24 6.660 -0.811 -12.008 1.00 72.32 H new ATOM 0 HD12 LEU A 24 6.197 -1.946 -13.298 1.00 72.32 H new ATOM 0 HD13 LEU A 24 5.587 -0.274 -13.323 1.00 72.32 H new ATOM 0 HD21 LEU A 24 5.032 -0.140 -10.280 1.00 53.34 H new ATOM 0 HD22 LEU A 24 3.875 0.435 -11.504 1.00 53.34 H new ATOM 0 HD23 LEU A 24 3.371 -0.778 -10.304 1.00 53.34 H new ATOM 352 N SER A 25 1.061 -4.046 -13.548 1.00 72.21 N ATOM 353 CA SER A 25 0.037 -4.485 -14.505 1.00 30.43 C ATOM 354 C SER A 25 -1.306 -4.735 -13.811 1.00 42.50 C ATOM 355 O SER A 25 -2.347 -4.256 -14.262 1.00 35.01 O ATOM 356 CB SER A 25 0.485 -5.756 -15.238 1.00 41.21 C ATOM 357 OG SER A 25 -0.493 -6.174 -16.181 1.00 74.21 O ATOM 0 H SER A 25 1.698 -4.784 -13.246 1.00 72.21 H new ATOM 0 HA SER A 25 -0.094 -3.683 -15.231 1.00 30.43 H new ATOM 0 HB2 SER A 25 1.431 -5.572 -15.748 1.00 41.21 H new ATOM 0 HB3 SER A 25 0.662 -6.553 -14.516 1.00 41.21 H new ATOM 0 HG SER A 25 -0.183 -6.985 -16.636 1.00 74.21 H new ATOM 363 N ALA A 26 -1.276 -5.477 -12.704 1.00 62.25 N ATOM 364 CA ALA A 26 -2.493 -5.793 -11.942 1.00 72.23 C ATOM 365 C ALA A 26 -3.204 -4.523 -11.446 1.00 2.54 C ATOM 366 O ALA A 26 -4.426 -4.394 -11.555 1.00 74.21 O ATOM 367 CB ALA A 26 -2.151 -6.696 -10.762 1.00 34.10 C ATOM 0 H ALA A 26 -0.422 -5.873 -12.311 1.00 62.25 H new ATOM 0 HA ALA A 26 -3.177 -6.313 -12.613 1.00 72.23 H new ATOM 0 HB1 ALA A 26 -3.059 -6.925 -10.204 1.00 34.10 H new ATOM 0 HB2 ALA A 26 -1.708 -7.622 -11.129 1.00 34.10 H new ATOM 0 HB3 ALA A 26 -1.442 -6.188 -10.109 1.00 34.10 H new ATOM 373 N LEU A 27 -2.428 -3.595 -10.892 1.00 42.41 N ATOM 374 CA LEU A 27 -2.960 -2.313 -10.412 1.00 65.12 C ATOM 375 C LEU A 27 -3.275 -1.373 -11.590 1.00 3.51 C ATOM 376 O LEU A 27 -4.204 -0.565 -11.521 1.00 60.04 O ATOM 377 CB LEU A 27 -1.943 -1.672 -9.440 1.00 35.50 C ATOM 378 CG LEU A 27 -2.389 -0.376 -8.720 1.00 21.34 C ATOM 379 CD1 LEU A 27 -1.632 -0.207 -7.402 1.00 1.03 C ATOM 380 CD2 LEU A 27 -2.167 0.855 -9.602 1.00 71.10 C ATOM 0 H LEU A 27 -1.422 -3.704 -10.762 1.00 42.41 H new ATOM 0 HA LEU A 27 -3.896 -2.488 -9.881 1.00 65.12 H new ATOM 0 HB2 LEU A 27 -1.686 -2.411 -8.681 1.00 35.50 H new ATOM 0 HB3 LEU A 27 -1.031 -1.455 -9.996 1.00 35.50 H new ATOM 0 HG LEU A 27 -3.456 -0.465 -8.514 1.00 21.34 H new ATOM 0 HD11 LEU A 27 -1.958 0.709 -6.910 1.00 1.03 H new ATOM 0 HD12 LEU A 27 -1.835 -1.059 -6.754 1.00 1.03 H new ATOM 0 HD13 LEU A 27 -0.562 -0.150 -7.602 1.00 1.03 H new ATOM 0 HD21 LEU A 27 -2.490 1.748 -9.068 1.00 71.10 H new ATOM 0 HD22 LEU A 27 -1.108 0.941 -9.846 1.00 71.10 H new ATOM 0 HD23 LEU A 27 -2.744 0.753 -10.521 1.00 71.10 H new ATOM 392 N LYS A 28 -2.504 -1.517 -12.675 1.00 24.42 N ATOM 393 CA LYS A 28 -2.611 -0.652 -13.862 1.00 63.14 C ATOM 394 C LYS A 28 -2.124 0.775 -13.560 1.00 10.43 C ATOM 395 O LYS A 28 -2.896 1.646 -13.159 1.00 23.30 O ATOM 396 CB LYS A 28 -4.043 -0.637 -14.427 1.00 40.53 C ATOM 397 CG LYS A 28 -4.200 0.214 -15.688 1.00 20.51 C ATOM 398 CD LYS A 28 -5.613 0.135 -16.259 1.00 15.22 C ATOM 399 CE LYS A 28 -5.995 -1.299 -16.613 1.00 23.24 C ATOM 400 NZ LYS A 28 -7.334 -1.378 -17.245 1.00 34.44 N ATOM 0 H LYS A 28 -1.786 -2.237 -12.757 1.00 24.42 H new ATOM 0 HA LYS A 28 -1.960 -1.074 -14.627 1.00 63.14 H new ATOM 0 HB2 LYS A 28 -4.346 -1.660 -14.650 1.00 40.53 H new ATOM 0 HB3 LYS A 28 -4.722 -0.263 -13.661 1.00 40.53 H new ATOM 0 HG2 LYS A 28 -3.960 1.252 -15.457 1.00 20.51 H new ATOM 0 HG3 LYS A 28 -3.486 -0.119 -16.441 1.00 20.51 H new ATOM 0 HD2 LYS A 28 -6.322 0.533 -15.533 1.00 15.22 H new ATOM 0 HD3 LYS A 28 -5.682 0.761 -17.149 1.00 15.22 H new ATOM 0 HE2 LYS A 28 -5.250 -1.716 -17.290 1.00 23.24 H new ATOM 0 HE3 LYS A 28 -5.983 -1.910 -15.711 1.00 23.24 H new ATOM 0 HZ1 LYS A 28 -7.554 -2.369 -17.469 1.00 34.44 H new ATOM 0 HZ2 LYS A 28 -8.050 -1.004 -16.590 1.00 34.44 H new ATOM 0 HZ3 LYS A 28 -7.339 -0.816 -18.120 1.00 34.44 H new ATOM 414 N VAL A 29 -0.827 0.996 -13.752 1.00 14.24 N ATOM 415 CA VAL A 29 -0.200 2.282 -13.441 1.00 34.20 C ATOM 416 C VAL A 29 0.044 3.124 -14.708 1.00 12.53 C ATOM 417 O VAL A 29 0.261 2.584 -15.801 1.00 61.45 O ATOM 418 CB VAL A 29 1.144 2.069 -12.702 1.00 13.32 C ATOM 419 CG1 VAL A 29 2.107 1.252 -13.556 1.00 74.00 C ATOM 420 CG2 VAL A 29 1.772 3.402 -12.301 1.00 74.33 C ATOM 0 H VAL A 29 -0.184 0.297 -14.124 1.00 14.24 H new ATOM 0 HA VAL A 29 -0.891 2.825 -12.796 1.00 34.20 H new ATOM 0 HB VAL A 29 0.938 1.510 -11.789 1.00 13.32 H new ATOM 0 HG11 VAL A 29 3.044 1.115 -13.017 1.00 74.00 H new ATOM 0 HG12 VAL A 29 1.666 0.279 -13.771 1.00 74.00 H new ATOM 0 HG13 VAL A 29 2.300 1.778 -14.491 1.00 74.00 H new ATOM 0 HG21 VAL A 29 2.714 3.219 -11.784 1.00 74.33 H new ATOM 0 HG22 VAL A 29 1.957 4.000 -13.193 1.00 74.33 H new ATOM 0 HG23 VAL A 29 1.093 3.939 -11.639 1.00 74.33 H new ATOM 430 N ALA A 30 -0.001 4.445 -14.552 1.00 63.30 N ATOM 431 CA ALA A 30 0.326 5.374 -15.638 1.00 72.33 C ATOM 432 C ALA A 30 1.835 5.670 -15.665 1.00 30.53 C ATOM 433 O ALA A 30 2.407 6.077 -14.654 1.00 13.22 O ATOM 434 CB ALA A 30 -0.470 6.663 -15.479 1.00 13.22 C ATOM 0 H ALA A 30 -0.262 4.902 -13.678 1.00 63.30 H new ATOM 0 HA ALA A 30 0.056 4.910 -16.587 1.00 72.33 H new ATOM 0 HB1 ALA A 30 -0.221 7.347 -16.290 1.00 13.22 H new ATOM 0 HB2 ALA A 30 -1.536 6.438 -15.509 1.00 13.22 H new ATOM 0 HB3 ALA A 30 -0.224 7.127 -14.524 1.00 13.22 H new ATOM 440 N GLN A 31 2.466 5.482 -16.828 1.00 1.13 N ATOM 441 CA GLN A 31 3.926 5.620 -16.969 1.00 61.01 C ATOM 442 C GLN A 31 4.677 4.652 -16.037 1.00 22.43 C ATOM 443 O GLN A 31 5.353 5.068 -15.094 1.00 3.41 O ATOM 444 CB GLN A 31 4.391 7.070 -16.714 1.00 73.14 C ATOM 445 CG GLN A 31 4.052 8.051 -17.837 1.00 60.43 C ATOM 446 CD GLN A 31 2.581 8.430 -17.909 1.00 50.33 C ATOM 447 OE1 GLN A 31 1.927 8.523 -16.771 1.00 72.42 O flip ATOM 448 NE2 GLN A 31 2.041 8.664 -18.987 1.00 54.40 N flip ATOM 0 H GLN A 31 1.988 5.232 -17.694 1.00 1.13 H new ATOM 0 HA GLN A 31 4.166 5.362 -18.000 1.00 61.01 H new ATOM 0 HB2 GLN A 31 3.938 7.426 -15.789 1.00 73.14 H new ATOM 0 HB3 GLN A 31 5.470 7.071 -16.562 1.00 73.14 H new ATOM 0 HG2 GLN A 31 4.643 8.957 -17.704 1.00 60.43 H new ATOM 0 HG3 GLN A 31 4.350 7.613 -18.790 1.00 60.43 H new ATOM 0 HE21 GLN A 31 2.574 8.583 -19.853 1.00 54.40 H new ATOM 0 HE22 GLN A 31 1.059 8.939 -19.017 1.00 54.40 H new ATOM 457 N ALA A 32 4.562 3.356 -16.319 1.00 51.14 N ATOM 458 CA ALA A 32 5.176 2.316 -15.484 1.00 60.43 C ATOM 459 C ALA A 32 6.711 2.410 -15.482 1.00 50.43 C ATOM 460 O ALA A 32 7.360 2.073 -14.492 1.00 42.11 O ATOM 461 CB ALA A 32 4.732 0.936 -15.954 1.00 0.32 C ATOM 0 H ALA A 32 4.047 2.996 -17.123 1.00 51.14 H new ATOM 0 HA ALA A 32 4.839 2.475 -14.460 1.00 60.43 H new ATOM 0 HB1 ALA A 32 5.193 0.172 -15.328 1.00 0.32 H new ATOM 0 HB2 ALA A 32 3.647 0.858 -15.881 1.00 0.32 H new ATOM 0 HB3 ALA A 32 5.037 0.789 -16.990 1.00 0.32 H new ATOM 467 N GLU A 33 7.283 2.882 -16.588 1.00 54.44 N ATOM 468 CA GLU A 33 8.741 3.039 -16.702 1.00 11.04 C ATOM 469 C GLU A 33 9.251 4.207 -15.841 1.00 72.05 C ATOM 470 O GLU A 33 10.455 4.355 -15.623 1.00 73.00 O ATOM 471 CB GLU A 33 9.135 3.286 -18.169 1.00 42.22 C ATOM 472 CG GLU A 33 8.618 2.240 -19.153 1.00 21.30 C ATOM 473 CD GLU A 33 9.184 0.850 -18.911 1.00 11.42 C ATOM 474 OE1 GLU A 33 10.411 0.666 -19.073 1.00 73.11 O ATOM 475 OE2 GLU A 33 8.401 -0.070 -18.599 1.00 10.10 O ATOM 0 H GLU A 33 6.764 3.164 -17.420 1.00 54.44 H new ATOM 0 HA GLU A 33 9.199 2.117 -16.344 1.00 11.04 H new ATOM 0 HB2 GLU A 33 8.762 4.265 -18.471 1.00 42.22 H new ATOM 0 HB3 GLU A 33 10.222 3.324 -18.238 1.00 42.22 H new ATOM 0 HG2 GLU A 33 7.531 2.198 -19.088 1.00 21.30 H new ATOM 0 HG3 GLU A 33 8.865 2.553 -20.167 1.00 21.30 H new ATOM 482 N TYR A 34 8.326 5.042 -15.360 1.00 22.00 N ATOM 483 CA TYR A 34 8.681 6.266 -14.632 1.00 54.20 C ATOM 484 C TYR A 34 7.913 6.378 -13.299 1.00 23.34 C ATOM 485 O TYR A 34 7.911 7.435 -12.666 1.00 14.24 O ATOM 486 CB TYR A 34 8.363 7.493 -15.505 1.00 1.52 C ATOM 487 CG TYR A 34 8.775 7.341 -16.963 1.00 11.50 C ATOM 488 CD1 TYR A 34 10.065 7.642 -17.385 1.00 64.44 C ATOM 489 CD2 TYR A 34 7.866 6.893 -17.919 1.00 64.55 C ATOM 490 CE1 TYR A 34 10.436 7.502 -18.710 1.00 71.44 C ATOM 491 CE2 TYR A 34 8.230 6.750 -19.245 1.00 13.35 C ATOM 492 CZ TYR A 34 9.517 7.056 -19.634 1.00 63.32 C ATOM 493 OH TYR A 34 9.888 6.914 -20.954 1.00 33.35 O ATOM 0 H TYR A 34 7.322 4.893 -15.461 1.00 22.00 H new ATOM 0 HA TYR A 34 9.747 6.226 -14.408 1.00 54.20 H new ATOM 0 HB2 TYR A 34 7.292 7.690 -15.460 1.00 1.52 H new ATOM 0 HB3 TYR A 34 8.866 8.364 -15.085 1.00 1.52 H new ATOM 0 HD1 TYR A 34 10.790 7.991 -16.665 1.00 64.44 H new ATOM 0 HD2 TYR A 34 6.857 6.653 -17.618 1.00 64.55 H new ATOM 0 HE1 TYR A 34 11.443 7.742 -19.019 1.00 71.44 H new ATOM 0 HE2 TYR A 34 7.511 6.401 -19.971 1.00 13.35 H new ATOM 0 HH TYR A 34 9.124 6.589 -21.475 1.00 33.35 H new ATOM 503 N VAL A 35 7.266 5.291 -12.875 1.00 70.44 N ATOM 504 CA VAL A 35 6.429 5.316 -11.665 1.00 31.02 C ATOM 505 C VAL A 35 7.258 5.504 -10.377 1.00 14.03 C ATOM 506 O VAL A 35 8.119 4.689 -10.042 1.00 52.21 O ATOM 507 CB VAL A 35 5.553 4.036 -11.542 1.00 20.11 C ATOM 508 CG1 VAL A 35 6.406 2.769 -11.552 1.00 45.23 C ATOM 509 CG2 VAL A 35 4.687 4.095 -10.284 1.00 21.02 C ATOM 0 H VAL A 35 7.302 4.386 -13.345 1.00 70.44 H new ATOM 0 HA VAL A 35 5.775 6.181 -11.775 1.00 31.02 H new ATOM 0 HB VAL A 35 4.898 3.999 -12.412 1.00 20.11 H new ATOM 0 HG11 VAL A 35 5.760 1.895 -11.464 1.00 45.23 H new ATOM 0 HG12 VAL A 35 6.966 2.715 -12.486 1.00 45.23 H new ATOM 0 HG13 VAL A 35 7.101 2.792 -10.713 1.00 45.23 H new ATOM 0 HG21 VAL A 35 4.082 3.191 -10.216 1.00 21.02 H new ATOM 0 HG22 VAL A 35 5.327 4.170 -9.405 1.00 21.02 H new ATOM 0 HG23 VAL A 35 4.034 4.966 -10.333 1.00 21.02 H new ATOM 519 N THR A 36 6.995 6.596 -9.664 1.00 13.14 N ATOM 520 CA THR A 36 7.649 6.862 -8.376 1.00 24.00 C ATOM 521 C THR A 36 6.807 6.331 -7.212 1.00 74.34 C ATOM 522 O THR A 36 5.747 6.872 -6.903 1.00 32.03 O ATOM 523 CB THR A 36 7.898 8.375 -8.155 1.00 61.35 C ATOM 524 OG1 THR A 36 8.733 8.894 -9.199 1.00 10.24 O ATOM 525 CG2 THR A 36 8.556 8.641 -6.802 1.00 44.52 C ATOM 0 H THR A 36 6.332 7.316 -9.953 1.00 13.14 H new ATOM 0 HA THR A 36 8.609 6.346 -8.406 1.00 24.00 H new ATOM 0 HB THR A 36 6.930 8.876 -8.172 1.00 61.35 H new ATOM 0 HG1 THR A 36 8.884 9.851 -9.052 1.00 10.24 H new ATOM 0 HG21 THR A 36 8.716 9.712 -6.680 1.00 44.52 H new ATOM 0 HG22 THR A 36 7.908 8.278 -6.004 1.00 44.52 H new ATOM 0 HG23 THR A 36 9.514 8.123 -6.755 1.00 44.52 H new ATOM 533 N VAL A 37 7.282 5.258 -6.587 1.00 52.35 N ATOM 534 CA VAL A 37 6.597 4.641 -5.443 1.00 50.34 C ATOM 535 C VAL A 37 7.602 4.175 -4.381 1.00 53.22 C ATOM 536 O VAL A 37 8.717 3.766 -4.708 1.00 51.30 O ATOM 537 CB VAL A 37 5.735 3.425 -5.881 1.00 43.04 C ATOM 538 CG1 VAL A 37 4.543 3.875 -6.725 1.00 73.43 C ATOM 539 CG2 VAL A 37 6.581 2.401 -6.642 1.00 3.11 C ATOM 0 H VAL A 37 8.148 4.789 -6.853 1.00 52.35 H new ATOM 0 HA VAL A 37 5.947 5.406 -5.020 1.00 50.34 H new ATOM 0 HB VAL A 37 5.351 2.946 -4.980 1.00 43.04 H new ATOM 0 HG11 VAL A 37 3.956 3.005 -7.019 1.00 73.43 H new ATOM 0 HG12 VAL A 37 3.920 4.553 -6.142 1.00 73.43 H new ATOM 0 HG13 VAL A 37 4.902 4.388 -7.617 1.00 73.43 H new ATOM 0 HG21 VAL A 37 5.955 1.559 -6.938 1.00 3.11 H new ATOM 0 HG22 VAL A 37 7.005 2.868 -7.531 1.00 3.11 H new ATOM 0 HG23 VAL A 37 7.387 2.046 -6.000 1.00 3.11 H new ATOM 549 N GLU A 38 7.215 4.250 -3.111 1.00 21.35 N ATOM 550 CA GLU A 38 8.059 3.750 -2.020 1.00 71.33 C ATOM 551 C GLU A 38 7.326 2.705 -1.167 1.00 10.11 C ATOM 552 O GLU A 38 6.180 2.906 -0.769 1.00 74.40 O ATOM 553 CB GLU A 38 8.563 4.905 -1.126 1.00 74.44 C ATOM 554 CG GLU A 38 7.478 5.822 -0.566 1.00 71.41 C ATOM 555 CD GLU A 38 6.979 6.843 -1.580 1.00 60.20 C ATOM 556 OE1 GLU A 38 7.727 7.801 -1.875 1.00 74.24 O ATOM 557 OE2 GLU A 38 5.844 6.699 -2.072 1.00 34.23 O ATOM 0 H GLU A 38 6.327 4.650 -2.808 1.00 21.35 H new ATOM 0 HA GLU A 38 8.920 3.267 -2.483 1.00 71.33 H new ATOM 0 HB2 GLU A 38 9.121 4.479 -0.292 1.00 74.44 H new ATOM 0 HB3 GLU A 38 9.263 5.509 -1.703 1.00 74.44 H new ATOM 0 HG2 GLU A 38 6.638 5.216 -0.226 1.00 71.41 H new ATOM 0 HG3 GLU A 38 7.868 6.346 0.307 1.00 71.41 H new ATOM 564 N LEU A 39 7.989 1.579 -0.890 1.00 3.23 N ATOM 565 CA LEU A 39 7.414 0.562 -0.002 1.00 3.31 C ATOM 566 C LEU A 39 7.965 0.737 1.420 1.00 43.21 C ATOM 567 O LEU A 39 9.181 0.784 1.627 1.00 51.22 O ATOM 568 CB LEU A 39 7.681 -0.874 -0.509 1.00 20.04 C ATOM 569 CG LEU A 39 9.058 -1.491 -0.168 1.00 51.31 C ATOM 570 CD1 LEU A 39 9.041 -3.002 -0.393 1.00 71.31 C ATOM 571 CD2 LEU A 39 10.173 -0.837 -0.983 1.00 62.44 C ATOM 0 H LEU A 39 8.911 1.349 -1.261 1.00 3.23 H new ATOM 0 HA LEU A 39 6.333 0.704 0.006 1.00 3.31 H new ATOM 0 HB2 LEU A 39 6.907 -1.526 -0.104 1.00 20.04 H new ATOM 0 HB3 LEU A 39 7.566 -0.878 -1.593 1.00 20.04 H new ATOM 0 HG LEU A 39 9.259 -1.301 0.886 1.00 51.31 H new ATOM 0 HD11 LEU A 39 10.018 -3.417 -0.148 1.00 71.31 H new ATOM 0 HD12 LEU A 39 8.283 -3.456 0.245 1.00 71.31 H new ATOM 0 HD13 LEU A 39 8.809 -3.212 -1.437 1.00 71.31 H new ATOM 0 HD21 LEU A 39 11.129 -1.291 -0.722 1.00 62.44 H new ATOM 0 HD22 LEU A 39 9.980 -0.983 -2.046 1.00 62.44 H new ATOM 0 HD23 LEU A 39 10.206 0.230 -0.763 1.00 62.44 H new ATOM 583 N ASN A 40 7.069 0.885 2.394 1.00 2.22 N ATOM 584 CA ASN A 40 7.471 1.012 3.802 1.00 25.10 C ATOM 585 C ASN A 40 8.455 2.183 4.014 1.00 50.30 C ATOM 586 O ASN A 40 9.206 2.211 4.989 1.00 12.32 O ATOM 587 CB ASN A 40 8.094 -0.310 4.274 1.00 52.24 C ATOM 588 CG ASN A 40 7.110 -1.469 4.214 1.00 34.53 C ATOM 589 OD1 ASN A 40 6.927 -2.100 3.179 1.00 2.15 O ATOM 590 ND2 ASN A 40 6.471 -1.761 5.324 1.00 35.13 N ATOM 0 H ASN A 40 6.061 0.920 2.239 1.00 2.22 H new ATOM 0 HA ASN A 40 6.583 1.230 4.395 1.00 25.10 H new ATOM 0 HB2 ASN A 40 8.961 -0.541 3.656 1.00 52.24 H new ATOM 0 HB3 ASN A 40 8.453 -0.195 5.297 1.00 52.24 H new ATOM 0 HD21 ASN A 40 5.802 -2.531 5.340 1.00 35.13 H new ATOM 0 HD22 ASN A 40 6.644 -1.218 6.170 1.00 35.13 H new ATOM 597 N GLY A 41 8.437 3.151 3.093 1.00 53.53 N ATOM 598 CA GLY A 41 9.311 4.320 3.195 1.00 54.15 C ATOM 599 C GLY A 41 10.464 4.334 2.187 1.00 74.55 C ATOM 600 O GLY A 41 11.032 5.392 1.910 1.00 74.13 O ATOM 0 H GLY A 41 7.830 3.148 2.273 1.00 53.53 H new ATOM 0 HA2 GLY A 41 8.712 5.220 3.057 1.00 54.15 H new ATOM 0 HA3 GLY A 41 9.724 4.364 4.203 1.00 54.15 H new ATOM 604 N GLU A 42 10.819 3.173 1.636 1.00 10.42 N ATOM 605 CA GLU A 42 11.946 3.074 0.691 1.00 31.43 C ATOM 606 C GLU A 42 11.466 3.146 -0.765 1.00 14.54 C ATOM 607 O GLU A 42 10.647 2.330 -1.193 1.00 25.55 O ATOM 608 CB GLU A 42 12.719 1.768 0.921 1.00 11.54 C ATOM 609 CG GLU A 42 13.243 1.611 2.344 1.00 72.14 C ATOM 610 CD GLU A 42 14.206 0.444 2.490 1.00 23.33 C ATOM 611 OE1 GLU A 42 13.747 -0.702 2.687 1.00 65.30 O ATOM 612 OE2 GLU A 42 15.430 0.668 2.407 1.00 11.44 O ATOM 0 H GLU A 42 10.348 2.288 1.823 1.00 10.42 H new ATOM 0 HA GLU A 42 12.606 3.922 0.873 1.00 31.43 H new ATOM 0 HB2 GLU A 42 12.069 0.925 0.687 1.00 11.54 H new ATOM 0 HB3 GLU A 42 13.558 1.725 0.227 1.00 11.54 H new ATOM 0 HG2 GLU A 42 13.745 2.530 2.645 1.00 72.14 H new ATOM 0 HG3 GLU A 42 12.402 1.470 3.023 1.00 72.14 H new ATOM 619 N VAL A 43 11.980 4.115 -1.528 1.00 54.52 N ATOM 620 CA VAL A 43 11.551 4.316 -2.920 1.00 31.35 C ATOM 621 C VAL A 43 12.199 3.298 -3.876 1.00 31.15 C ATOM 622 O VAL A 43 13.383 2.973 -3.755 1.00 64.35 O ATOM 623 CB VAL A 43 11.840 5.764 -3.409 1.00 65.32 C ATOM 624 CG1 VAL A 43 13.333 6.078 -3.360 1.00 33.22 C ATOM 625 CG2 VAL A 43 11.279 5.992 -4.815 1.00 25.14 C ATOM 0 H VAL A 43 12.692 4.772 -1.209 1.00 54.52 H new ATOM 0 HA VAL A 43 10.473 4.156 -2.934 1.00 31.35 H new ATOM 0 HB VAL A 43 11.334 6.449 -2.729 1.00 65.32 H new ATOM 0 HG11 VAL A 43 13.502 7.097 -3.708 1.00 33.22 H new ATOM 0 HG12 VAL A 43 13.692 5.980 -2.335 1.00 33.22 H new ATOM 0 HG13 VAL A 43 13.873 5.381 -4.002 1.00 33.22 H new ATOM 0 HG21 VAL A 43 11.495 7.012 -5.132 1.00 25.14 H new ATOM 0 HG22 VAL A 43 11.741 5.291 -5.509 1.00 25.14 H new ATOM 0 HG23 VAL A 43 10.200 5.836 -4.806 1.00 25.14 H new ATOM 635 N LEU A 44 11.405 2.792 -4.820 1.00 72.01 N ATOM 636 CA LEU A 44 11.873 1.785 -5.775 1.00 72.31 C ATOM 637 C LEU A 44 12.394 2.437 -7.064 1.00 0.12 C ATOM 638 O LEU A 44 11.668 3.165 -7.743 1.00 2.42 O ATOM 639 CB LEU A 44 10.748 0.792 -6.121 1.00 62.25 C ATOM 640 CG LEU A 44 10.210 -0.054 -4.951 1.00 34.33 C ATOM 641 CD1 LEU A 44 9.371 0.791 -3.995 1.00 43.43 C ATOM 642 CD2 LEU A 44 9.396 -1.237 -5.472 1.00 72.41 C ATOM 0 H LEU A 44 10.430 3.064 -4.945 1.00 72.01 H new ATOM 0 HA LEU A 44 12.693 1.246 -5.300 1.00 72.31 H new ATOM 0 HB2 LEU A 44 9.917 1.351 -6.551 1.00 62.25 H new ATOM 0 HB3 LEU A 44 11.112 0.116 -6.895 1.00 62.25 H new ATOM 0 HG LEU A 44 11.067 -0.437 -4.397 1.00 34.33 H new ATOM 0 HD11 LEU A 44 9.006 0.165 -3.181 1.00 43.43 H new ATOM 0 HD12 LEU A 44 9.983 1.596 -3.588 1.00 43.43 H new ATOM 0 HD13 LEU A 44 8.524 1.216 -4.533 1.00 43.43 H new ATOM 0 HD21 LEU A 44 9.025 -1.822 -4.631 1.00 72.41 H new ATOM 0 HD22 LEU A 44 8.554 -0.869 -6.058 1.00 72.41 H new ATOM 0 HD23 LEU A 44 10.028 -1.865 -6.100 1.00 72.41 H new ATOM 654 N GLU A 45 13.656 2.174 -7.391 1.00 24.30 N ATOM 655 CA GLU A 45 14.274 2.707 -8.610 1.00 12.25 C ATOM 656 C GLU A 45 13.675 2.066 -9.878 1.00 70.45 C ATOM 657 O GLU A 45 13.217 0.922 -9.849 1.00 20.51 O ATOM 658 CB GLU A 45 15.790 2.466 -8.571 1.00 60.43 C ATOM 659 CG GLU A 45 16.545 3.071 -9.747 1.00 53.53 C ATOM 660 CD GLU A 45 18.031 2.758 -9.713 1.00 3.53 C ATOM 661 OE1 GLU A 45 18.777 3.458 -9.000 1.00 43.43 O ATOM 662 OE2 GLU A 45 18.459 1.814 -10.405 1.00 31.13 O ATOM 0 H GLU A 45 14.277 1.592 -6.828 1.00 24.30 H new ATOM 0 HA GLU A 45 14.071 3.777 -8.649 1.00 12.25 H new ATOM 0 HB2 GLU A 45 16.189 2.880 -7.645 1.00 60.43 H new ATOM 0 HB3 GLU A 45 15.976 1.392 -8.547 1.00 60.43 H new ATOM 0 HG2 GLU A 45 16.120 2.696 -10.678 1.00 53.53 H new ATOM 0 HG3 GLU A 45 16.405 4.152 -9.746 1.00 53.53 H new ATOM 669 N ARG A 46 13.704 2.809 -10.990 1.00 64.52 N ATOM 670 CA ARG A 46 13.187 2.329 -12.285 1.00 11.23 C ATOM 671 C ARG A 46 13.708 0.922 -12.648 1.00 70.41 C ATOM 672 O ARG A 46 12.986 0.108 -13.220 1.00 33.23 O ATOM 673 CB ARG A 46 13.556 3.328 -13.393 1.00 43.21 C ATOM 674 CG ARG A 46 15.060 3.550 -13.538 1.00 41.25 C ATOM 675 CD ARG A 46 15.400 4.522 -14.662 1.00 31.13 C ATOM 676 NE ARG A 46 16.844 4.692 -14.800 1.00 54.25 N ATOM 677 CZ ARG A 46 17.416 5.491 -15.659 1.00 63.53 C ATOM 678 NH1 ARG A 46 16.711 6.234 -16.447 1.00 51.52 N ATOM 679 NH2 ARG A 46 18.706 5.559 -15.716 1.00 44.12 N ATOM 0 H ARG A 46 14.083 3.755 -11.022 1.00 64.52 H new ATOM 0 HA ARG A 46 12.103 2.254 -12.194 1.00 11.23 H new ATOM 0 HB2 ARG A 46 13.157 2.970 -14.342 1.00 43.21 H new ATOM 0 HB3 ARG A 46 13.074 4.283 -13.185 1.00 43.21 H new ATOM 0 HG2 ARG A 46 15.460 3.931 -12.599 1.00 41.25 H new ATOM 0 HG3 ARG A 46 15.549 2.594 -13.728 1.00 41.25 H new ATOM 0 HD2 ARG A 46 14.984 4.156 -15.600 1.00 31.13 H new ATOM 0 HD3 ARG A 46 14.936 5.488 -14.463 1.00 31.13 H new ATOM 0 HE ARG A 46 17.447 4.149 -14.182 1.00 54.25 H new ATOM 0 HH11 ARG A 46 15.692 6.201 -16.403 1.00 51.52 H new ATOM 0 HH12 ARG A 46 17.173 6.853 -17.113 1.00 51.52 H new ATOM 0 HH21 ARG A 46 19.275 4.989 -15.090 1.00 44.12 H new ATOM 0 HH22 ARG A 46 19.155 6.183 -16.387 1.00 44.12 H new ATOM 693 N GLU A 47 14.965 0.644 -12.307 1.00 24.11 N ATOM 694 CA GLU A 47 15.586 -0.654 -12.607 1.00 75.12 C ATOM 695 C GLU A 47 15.194 -1.728 -11.572 1.00 25.31 C ATOM 696 O GLU A 47 15.189 -2.923 -11.864 1.00 52.44 O ATOM 697 CB GLU A 47 17.110 -0.486 -12.650 1.00 14.40 C ATOM 698 CG GLU A 47 17.871 -1.764 -12.987 1.00 53.42 C ATOM 699 CD GLU A 47 19.380 -1.576 -12.963 1.00 63.42 C ATOM 700 OE1 GLU A 47 19.976 -1.639 -11.866 1.00 61.41 O ATOM 701 OE2 GLU A 47 19.980 -1.372 -14.040 1.00 50.04 O ATOM 0 H GLU A 47 15.578 1.299 -11.822 1.00 24.11 H new ATOM 0 HA GLU A 47 15.223 -0.993 -13.577 1.00 75.12 H new ATOM 0 HB2 GLU A 47 17.359 0.277 -13.387 1.00 14.40 H new ATOM 0 HB3 GLU A 47 17.451 -0.118 -11.682 1.00 14.40 H new ATOM 0 HG2 GLU A 47 17.595 -2.543 -12.277 1.00 53.42 H new ATOM 0 HG3 GLU A 47 17.569 -2.112 -13.975 1.00 53.42 H new ATOM 708 N ALA A 48 14.834 -1.286 -10.370 1.00 20.45 N ATOM 709 CA ALA A 48 14.556 -2.197 -9.251 1.00 60.44 C ATOM 710 C ALA A 48 13.168 -2.858 -9.342 1.00 4.21 C ATOM 711 O ALA A 48 12.910 -3.862 -8.675 1.00 71.32 O ATOM 712 CB ALA A 48 14.694 -1.449 -7.930 1.00 31.23 C ATOM 0 H ALA A 48 14.726 -0.298 -10.140 1.00 20.45 H new ATOM 0 HA ALA A 48 15.290 -3.001 -9.305 1.00 60.44 H new ATOM 0 HB1 ALA A 48 14.487 -2.129 -7.104 1.00 31.23 H new ATOM 0 HB2 ALA A 48 15.708 -1.061 -7.836 1.00 31.23 H new ATOM 0 HB3 ALA A 48 13.986 -0.621 -7.905 1.00 31.23 H new ATOM 718 N PHE A 49 12.281 -2.304 -10.171 1.00 24.13 N ATOM 719 CA PHE A 49 10.897 -2.803 -10.281 1.00 53.11 C ATOM 720 C PHE A 49 10.827 -4.316 -10.562 1.00 44.31 C ATOM 721 O PHE A 49 9.978 -5.021 -10.013 1.00 53.53 O ATOM 722 CB PHE A 49 10.130 -2.051 -11.377 1.00 2.20 C ATOM 723 CG PHE A 49 9.997 -0.568 -11.136 1.00 41.32 C ATOM 724 CD1 PHE A 49 9.906 -0.059 -9.846 1.00 30.11 C ATOM 725 CD2 PHE A 49 9.948 0.317 -12.201 1.00 33.14 C ATOM 726 CE1 PHE A 49 9.772 1.300 -9.631 1.00 72.51 C ATOM 727 CE2 PHE A 49 9.815 1.675 -11.990 1.00 12.13 C ATOM 728 CZ PHE A 49 9.729 2.166 -10.704 1.00 33.51 C ATOM 0 H PHE A 49 12.490 -1.511 -10.777 1.00 24.13 H new ATOM 0 HA PHE A 49 10.434 -2.621 -9.311 1.00 53.11 H new ATOM 0 HB2 PHE A 49 10.634 -2.208 -12.330 1.00 2.20 H new ATOM 0 HB3 PHE A 49 9.134 -2.483 -11.468 1.00 2.20 H new ATOM 0 HD1 PHE A 49 9.940 -0.732 -9.002 1.00 30.11 H new ATOM 0 HD2 PHE A 49 10.015 -0.061 -13.211 1.00 33.14 H new ATOM 0 HE1 PHE A 49 9.701 1.683 -8.624 1.00 72.51 H new ATOM 0 HE2 PHE A 49 9.778 2.352 -12.831 1.00 12.13 H new ATOM 0 HZ PHE A 49 9.628 3.228 -10.537 1.00 33.51 H new ATOM 738 N ASP A 50 11.719 -4.817 -11.408 1.00 74.11 N ATOM 739 CA ASP A 50 11.689 -6.231 -11.791 1.00 50.31 C ATOM 740 C ASP A 50 12.413 -7.116 -10.758 1.00 53.25 C ATOM 741 O ASP A 50 12.132 -8.307 -10.646 1.00 13.41 O ATOM 742 CB ASP A 50 12.305 -6.414 -13.185 1.00 25.35 C ATOM 743 CG ASP A 50 11.908 -7.735 -13.824 1.00 73.22 C ATOM 744 OD1 ASP A 50 10.730 -7.874 -14.218 1.00 22.31 O ATOM 745 OD2 ASP A 50 12.764 -8.640 -13.931 1.00 21.41 O ATOM 0 H ASP A 50 12.467 -4.275 -11.841 1.00 74.11 H new ATOM 0 HA ASP A 50 10.647 -6.548 -11.819 1.00 50.31 H new ATOM 0 HB2 ASP A 50 11.991 -5.593 -13.829 1.00 25.35 H new ATOM 0 HB3 ASP A 50 13.391 -6.362 -13.109 1.00 25.35 H new ATOM 750 N ALA A 51 13.323 -6.521 -9.990 1.00 65.00 N ATOM 751 CA ALA A 51 14.131 -7.269 -9.016 1.00 4.53 C ATOM 752 C ALA A 51 13.518 -7.255 -7.602 1.00 20.23 C ATOM 753 O ALA A 51 14.055 -7.870 -6.679 1.00 14.51 O ATOM 754 CB ALA A 51 15.547 -6.702 -8.985 1.00 74.12 C ATOM 0 H ALA A 51 13.523 -5.521 -10.020 1.00 65.00 H new ATOM 0 HA ALA A 51 14.154 -8.310 -9.338 1.00 4.53 H new ATOM 0 HB1 ALA A 51 16.145 -7.257 -8.263 1.00 74.12 H new ATOM 0 HB2 ALA A 51 15.997 -6.792 -9.974 1.00 74.12 H new ATOM 0 HB3 ALA A 51 15.512 -5.652 -8.696 1.00 74.12 H new ATOM 760 N THR A 52 12.399 -6.555 -7.431 1.00 43.31 N ATOM 761 CA THR A 52 11.747 -6.442 -6.113 1.00 35.12 C ATOM 762 C THR A 52 10.481 -7.309 -6.030 1.00 10.23 C ATOM 763 O THR A 52 9.523 -7.091 -6.774 1.00 15.42 O ATOM 764 CB THR A 52 11.374 -4.973 -5.792 1.00 33.45 C ATOM 765 OG1 THR A 52 12.535 -4.138 -5.896 1.00 42.13 O ATOM 766 CG2 THR A 52 10.784 -4.837 -4.390 1.00 14.32 C ATOM 0 H THR A 52 11.920 -6.056 -8.181 1.00 43.31 H new ATOM 0 HA THR A 52 12.470 -6.799 -5.379 1.00 35.12 H new ATOM 0 HB THR A 52 10.621 -4.659 -6.515 1.00 33.45 H new ATOM 0 HG1 THR A 52 12.745 -3.987 -6.841 1.00 42.13 H new ATOM 0 HG21 THR A 52 10.534 -3.793 -4.200 1.00 14.32 H new ATOM 0 HG22 THR A 52 9.883 -5.445 -4.314 1.00 14.32 H new ATOM 0 HG23 THR A 52 11.513 -5.175 -3.654 1.00 14.32 H new ATOM 774 N THR A 53 10.482 -8.284 -5.114 1.00 62.24 N ATOM 775 CA THR A 53 9.345 -9.205 -4.941 1.00 72.21 C ATOM 776 C THR A 53 8.312 -8.664 -3.937 1.00 74.15 C ATOM 777 O THR A 53 8.667 -8.121 -2.888 1.00 45.14 O ATOM 778 CB THR A 53 9.817 -10.604 -4.457 1.00 10.12 C ATOM 779 OG1 THR A 53 10.779 -11.154 -5.372 1.00 14.12 O ATOM 780 CG2 THR A 53 8.646 -11.573 -4.328 1.00 23.31 C ATOM 0 H THR A 53 11.259 -8.459 -4.477 1.00 62.24 H new ATOM 0 HA THR A 53 8.877 -9.293 -5.921 1.00 72.21 H new ATOM 0 HB THR A 53 10.274 -10.470 -3.476 1.00 10.12 H new ATOM 0 HG1 THR A 53 11.068 -12.034 -5.053 1.00 14.12 H new ATOM 0 HG21 THR A 53 9.011 -12.542 -3.988 1.00 23.31 H new ATOM 0 HG22 THR A 53 7.928 -11.182 -3.607 1.00 23.31 H new ATOM 0 HG23 THR A 53 8.161 -11.688 -5.297 1.00 23.31 H new ATOM 788 N VAL A 54 7.030 -8.827 -4.266 1.00 52.52 N ATOM 789 CA VAL A 54 5.921 -8.416 -3.391 1.00 63.23 C ATOM 790 C VAL A 54 5.117 -9.643 -2.904 1.00 55.43 C ATOM 791 O VAL A 54 4.979 -10.635 -3.626 1.00 50.22 O ATOM 792 CB VAL A 54 4.966 -7.435 -4.126 1.00 5.35 C ATOM 793 CG1 VAL A 54 3.855 -6.946 -3.197 1.00 73.22 C ATOM 794 CG2 VAL A 54 5.747 -6.254 -4.708 1.00 65.13 C ATOM 0 H VAL A 54 6.727 -9.247 -5.145 1.00 52.52 H new ATOM 0 HA VAL A 54 6.357 -7.910 -2.529 1.00 63.23 H new ATOM 0 HB VAL A 54 4.499 -7.975 -4.949 1.00 5.35 H new ATOM 0 HG11 VAL A 54 3.203 -6.261 -3.739 1.00 73.22 H new ATOM 0 HG12 VAL A 54 3.274 -7.798 -2.845 1.00 73.22 H new ATOM 0 HG13 VAL A 54 4.295 -6.429 -2.344 1.00 73.22 H new ATOM 0 HG21 VAL A 54 5.060 -5.579 -5.218 1.00 65.13 H new ATOM 0 HG22 VAL A 54 6.250 -5.719 -3.903 1.00 65.13 H new ATOM 0 HG23 VAL A 54 6.488 -6.622 -5.418 1.00 65.13 H new ATOM 804 N LYS A 55 4.585 -9.566 -1.683 1.00 64.22 N ATOM 805 CA LYS A 55 3.847 -10.684 -1.081 1.00 73.41 C ATOM 806 C LYS A 55 2.680 -10.188 -0.204 1.00 30.45 C ATOM 807 O LYS A 55 2.305 -9.016 -0.247 1.00 74.00 O ATOM 808 CB LYS A 55 4.819 -11.569 -0.273 1.00 54.30 C ATOM 809 CG LYS A 55 5.678 -10.818 0.753 1.00 21.15 C ATOM 810 CD LYS A 55 4.942 -10.563 2.069 1.00 2.15 C ATOM 811 CE LYS A 55 5.787 -9.749 3.040 1.00 13.23 C ATOM 812 NZ LYS A 55 6.067 -8.387 2.519 1.00 22.42 N ATOM 0 H LYS A 55 4.650 -8.740 -1.088 1.00 64.22 H new ATOM 0 HA LYS A 55 3.407 -11.281 -1.880 1.00 73.41 H new ATOM 0 HB2 LYS A 55 4.243 -12.334 0.248 1.00 54.30 H new ATOM 0 HB3 LYS A 55 5.480 -12.086 -0.969 1.00 54.30 H new ATOM 0 HG2 LYS A 55 6.582 -11.393 0.953 1.00 21.15 H new ATOM 0 HG3 LYS A 55 5.994 -9.865 0.328 1.00 21.15 H new ATOM 0 HD2 LYS A 55 4.010 -10.036 1.868 1.00 2.15 H new ATOM 0 HD3 LYS A 55 4.677 -11.515 2.528 1.00 2.15 H new ATOM 0 HE2 LYS A 55 5.270 -9.673 3.997 1.00 13.23 H new ATOM 0 HE3 LYS A 55 6.728 -10.267 3.226 1.00 13.23 H new ATOM 0 HZ1 LYS A 55 7.088 -8.198 2.572 1.00 22.42 H new ATOM 0 HZ2 LYS A 55 5.754 -8.323 1.529 1.00 22.42 H new ATOM 0 HZ3 LYS A 55 5.555 -7.685 3.090 1.00 22.42 H new ATOM 826 N ASP A 56 2.089 -11.092 0.578 1.00 2.10 N ATOM 827 CA ASP A 56 0.977 -10.736 1.464 1.00 12.43 C ATOM 828 C ASP A 56 1.451 -9.856 2.642 1.00 62.13 C ATOM 829 O ASP A 56 1.674 -10.344 3.755 1.00 54.33 O ATOM 830 CB ASP A 56 0.285 -12.010 1.976 1.00 53.04 C ATOM 831 CG ASP A 56 -0.951 -11.713 2.808 1.00 3.24 C ATOM 832 OD1 ASP A 56 -1.944 -11.212 2.243 1.00 11.11 O ATOM 833 OD2 ASP A 56 -0.942 -11.988 4.026 1.00 11.44 O ATOM 0 H ASP A 56 2.360 -12.075 0.617 1.00 2.10 H new ATOM 0 HA ASP A 56 0.259 -10.150 0.891 1.00 12.43 H new ATOM 0 HB2 ASP A 56 0.005 -12.633 1.126 1.00 53.04 H new ATOM 0 HB3 ASP A 56 0.991 -12.586 2.574 1.00 53.04 H new ATOM 838 N GLY A 57 1.640 -8.561 2.378 1.00 61.04 N ATOM 839 CA GLY A 57 2.024 -7.621 3.433 1.00 75.11 C ATOM 840 C GLY A 57 3.167 -6.687 3.032 1.00 24.53 C ATOM 841 O GLY A 57 4.263 -6.756 3.589 1.00 32.14 O ATOM 0 H GLY A 57 1.535 -8.143 1.454 1.00 61.04 H new ATOM 0 HA2 GLY A 57 1.156 -7.022 3.709 1.00 75.11 H new ATOM 0 HA3 GLY A 57 2.318 -8.183 4.320 1.00 75.11 H new ATOM 845 N ASP A 58 2.918 -5.822 2.052 1.00 51.32 N ATOM 846 CA ASP A 58 3.899 -4.812 1.630 1.00 31.14 C ATOM 847 C ASP A 58 3.243 -3.427 1.533 1.00 71.23 C ATOM 848 O ASP A 58 2.172 -3.276 0.940 1.00 20.13 O ATOM 849 CB ASP A 58 4.528 -5.199 0.283 1.00 53.14 C ATOM 850 CG ASP A 58 5.369 -6.460 0.382 1.00 25.12 C ATOM 851 OD1 ASP A 58 4.796 -7.565 0.356 1.00 70.42 O ATOM 852 OD2 ASP A 58 6.602 -6.352 0.513 1.00 23.21 O ATOM 0 H ASP A 58 2.042 -5.796 1.530 1.00 51.32 H new ATOM 0 HA ASP A 58 4.687 -4.769 2.381 1.00 31.14 H new ATOM 0 HB2 ASP A 58 3.739 -5.348 -0.455 1.00 53.14 H new ATOM 0 HB3 ASP A 58 5.149 -4.378 -0.075 1.00 53.14 H new ATOM 857 N ALA A 59 3.885 -2.420 2.119 1.00 44.13 N ATOM 858 CA ALA A 59 3.323 -1.066 2.157 1.00 54.41 C ATOM 859 C ALA A 59 3.814 -0.205 0.980 1.00 74.12 C ATOM 860 O ALA A 59 4.545 0.765 1.175 1.00 15.13 O ATOM 861 CB ALA A 59 3.651 -0.399 3.487 1.00 24.02 C ATOM 0 H ALA A 59 4.793 -2.512 2.574 1.00 44.13 H new ATOM 0 HA ALA A 59 2.241 -1.153 2.060 1.00 54.41 H new ATOM 0 HB1 ALA A 59 3.229 0.606 3.504 1.00 24.02 H new ATOM 0 HB2 ALA A 59 3.227 -0.985 4.302 1.00 24.02 H new ATOM 0 HB3 ALA A 59 4.733 -0.340 3.608 1.00 24.02 H new ATOM 867 N VAL A 60 3.405 -0.566 -0.236 1.00 23.24 N ATOM 868 CA VAL A 60 3.799 0.178 -1.440 1.00 1.24 C ATOM 869 C VAL A 60 2.896 1.412 -1.663 1.00 60.13 C ATOM 870 O VAL A 60 1.696 1.290 -1.908 1.00 4.10 O ATOM 871 CB VAL A 60 3.785 -0.735 -2.699 1.00 50.21 C ATOM 872 CG1 VAL A 60 2.418 -1.394 -2.899 1.00 40.00 C ATOM 873 CG2 VAL A 60 4.199 0.054 -3.942 1.00 54.14 C ATOM 0 H VAL A 60 2.801 -1.368 -0.417 1.00 23.24 H new ATOM 0 HA VAL A 60 4.819 0.527 -1.281 1.00 1.24 H new ATOM 0 HB VAL A 60 4.512 -1.532 -2.540 1.00 50.21 H new ATOM 0 HG11 VAL A 60 2.445 -2.025 -3.788 1.00 40.00 H new ATOM 0 HG12 VAL A 60 2.177 -2.004 -2.028 1.00 40.00 H new ATOM 0 HG13 VAL A 60 1.657 -0.623 -3.024 1.00 40.00 H new ATOM 0 HG21 VAL A 60 4.183 -0.603 -4.812 1.00 54.14 H new ATOM 0 HG22 VAL A 60 3.504 0.879 -4.097 1.00 54.14 H new ATOM 0 HG23 VAL A 60 5.206 0.449 -3.804 1.00 54.14 H new ATOM 883 N GLU A 61 3.483 2.600 -1.567 1.00 72.03 N ATOM 884 CA GLU A 61 2.734 3.858 -1.698 1.00 75.24 C ATOM 885 C GLU A 61 2.652 4.333 -3.163 1.00 43.22 C ATOM 886 O GLU A 61 3.665 4.662 -3.775 1.00 1.12 O ATOM 887 CB GLU A 61 3.389 4.944 -0.832 1.00 41.44 C ATOM 888 CG GLU A 61 3.454 4.602 0.655 1.00 42.42 C ATOM 889 CD GLU A 61 4.101 5.704 1.487 1.00 42.52 C ATOM 890 OE1 GLU A 61 3.525 6.810 1.563 1.00 34.10 O ATOM 891 OE2 GLU A 61 5.187 5.472 2.065 1.00 74.11 O ATOM 0 H GLU A 61 4.481 2.725 -1.398 1.00 72.03 H new ATOM 0 HA GLU A 61 1.716 3.674 -1.356 1.00 75.24 H new ATOM 0 HB2 GLU A 61 4.400 5.123 -1.197 1.00 41.44 H new ATOM 0 HB3 GLU A 61 2.836 5.875 -0.956 1.00 41.44 H new ATOM 0 HG2 GLU A 61 2.445 4.418 1.025 1.00 42.42 H new ATOM 0 HG3 GLU A 61 4.015 3.677 0.786 1.00 42.42 H new ATOM 898 N PHE A 62 1.436 4.357 -3.717 1.00 30.22 N ATOM 899 CA PHE A 62 1.203 4.868 -5.081 1.00 10.45 C ATOM 900 C PHE A 62 0.629 6.295 -5.062 1.00 24.34 C ATOM 901 O PHE A 62 -0.468 6.529 -4.551 1.00 41.13 O ATOM 902 CB PHE A 62 0.255 3.931 -5.851 1.00 34.11 C ATOM 903 CG PHE A 62 0.969 2.891 -6.680 1.00 20.12 C ATOM 904 CD1 PHE A 62 1.460 1.726 -6.102 1.00 13.11 C ATOM 905 CD2 PHE A 62 1.158 3.087 -8.042 1.00 3.52 C ATOM 906 CE1 PHE A 62 2.121 0.782 -6.868 1.00 14.01 C ATOM 907 CE2 PHE A 62 1.819 2.148 -8.807 1.00 51.33 C ATOM 908 CZ PHE A 62 2.300 0.995 -8.223 1.00 63.33 C ATOM 0 H PHE A 62 0.593 4.029 -3.245 1.00 30.22 H new ATOM 0 HA PHE A 62 2.167 4.900 -5.588 1.00 10.45 H new ATOM 0 HB2 PHE A 62 -0.401 3.428 -5.140 1.00 34.11 H new ATOM 0 HB3 PHE A 62 -0.381 4.529 -6.504 1.00 34.11 H new ATOM 0 HD1 PHE A 62 1.324 1.556 -5.044 1.00 13.11 H new ATOM 0 HD2 PHE A 62 0.783 3.986 -8.508 1.00 3.52 H new ATOM 0 HE1 PHE A 62 2.497 -0.120 -6.408 1.00 14.01 H new ATOM 0 HE2 PHE A 62 1.960 2.316 -9.864 1.00 51.33 H new ATOM 0 HZ PHE A 62 2.816 0.259 -8.823 1.00 63.33 H new ATOM 918 N LEU A 63 1.368 7.238 -5.642 1.00 34.12 N ATOM 919 CA LEU A 63 0.951 8.646 -5.667 1.00 23.53 C ATOM 920 C LEU A 63 1.143 9.267 -7.062 1.00 23.14 C ATOM 921 O LEU A 63 2.184 9.096 -7.686 1.00 11.33 O ATOM 922 CB LEU A 63 1.717 9.472 -4.609 1.00 21.35 C ATOM 923 CG LEU A 63 3.256 9.521 -4.755 1.00 61.41 C ATOM 924 CD1 LEU A 63 3.837 10.668 -3.930 1.00 71.21 C ATOM 925 CD2 LEU A 63 3.896 8.196 -4.334 1.00 33.31 C ATOM 0 H LEU A 63 2.260 7.057 -6.102 1.00 34.12 H new ATOM 0 HA LEU A 63 -0.112 8.670 -5.426 1.00 23.53 H new ATOM 0 HB2 LEU A 63 1.339 10.494 -4.635 1.00 21.35 H new ATOM 0 HB3 LEU A 63 1.480 9.069 -3.624 1.00 21.35 H new ATOM 0 HG LEU A 63 3.483 9.691 -5.807 1.00 61.41 H new ATOM 0 HD11 LEU A 63 4.921 10.687 -4.045 1.00 71.21 H new ATOM 0 HD12 LEU A 63 3.419 11.613 -4.276 1.00 71.21 H new ATOM 0 HD13 LEU A 63 3.586 10.524 -2.879 1.00 71.21 H new ATOM 0 HD21 LEU A 63 4.978 8.262 -4.448 1.00 33.31 H new ATOM 0 HD22 LEU A 63 3.653 7.989 -3.292 1.00 33.31 H new ATOM 0 HD23 LEU A 63 3.514 7.391 -4.962 1.00 33.31 H new