USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 677 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 61 HIS : no HE2:sc= -0.778 K(o=-0.51,f=-2.7) USER MOD Set 1.2: A 63 THR OG1 : rot -114:sc= 0.267 USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 11 THR OG1 : rot 171:sc= 0.679 USER MOD Set 3.2: A 21 SER OG : rot 95:sc= 1.16 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -103:sc= 1.08 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -175:sc= -0.0486 (180deg=-0.102) USER MOD Single : A 12 SER OG : rot 58:sc= 0.00116 USER MOD Single : A 16 THR OG1 : rot -33:sc= 0.0385 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -3.17! C(o=-3.2!,f=-3.9!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0638 USER MOD Single : A 29 THR OG1 : rot 100:sc= 0.486 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 31 SER OG : rot -24:sc= 1.25 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 45 THR OG1 : rot 151:sc= -0.341 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 58 SER OG : rot 34:sc= 0.928 USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0.0874 (180deg=0.0685) USER MOD Single : A 66 ASN : amide:sc= -0.598 K(o=-0.6,f=-2.2!) USER MOD Single : A 70 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.38!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00638 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.4) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 94 CYS SG : rot -114:sc= 0.357 USER MOD Single : A 95 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0538) USER MOD Single : A 97 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.14) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.0144 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0354 USER MOD Single : A 105 SER OG : rot -20:sc= 0.274 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.660 24.286 24.647 1.00 60.42 N ATOM 2 CA ALA A 1 -10.816 23.558 25.155 1.00 2.20 C ATOM 3 C ALA A 1 -12.009 23.698 24.215 1.00 60.34 C ATOM 4 O ALA A 1 -12.568 24.785 24.061 1.00 12.24 O ATOM 5 CB ALA A 1 -11.179 24.049 26.549 1.00 2.40 C ATOM 0 H1 ALA A 1 -8.863 24.174 25.305 1.00 60.42 H new ATOM 0 H2 ALA A 1 -9.395 23.909 23.715 1.00 60.42 H new ATOM 0 H3 ALA A 1 -9.897 25.295 24.558 1.00 60.42 H new ATOM 0 HA ALA A 1 -10.553 22.502 25.211 1.00 2.20 H new ATOM 0 HB1 ALA A 1 -12.044 23.496 26.916 1.00 2.40 H new ATOM 0 HB2 ALA A 1 -10.336 23.891 27.221 1.00 2.40 H new ATOM 0 HB3 ALA A 1 -11.417 25.112 26.510 1.00 2.40 H new ATOM 11 N THR A 2 -12.395 22.591 23.587 1.00 22.12 N ATOM 12 CA THR A 2 -13.520 22.591 22.661 1.00 2.24 C ATOM 13 C THR A 2 -14.451 21.414 22.926 1.00 72.42 C ATOM 14 O THR A 2 -14.056 20.426 23.547 1.00 20.44 O ATOM 15 CB THR A 2 -13.043 22.533 21.197 1.00 73.25 C ATOM 16 OG1 THR A 2 -11.986 21.577 21.064 1.00 22.01 O ATOM 17 CG2 THR A 2 -12.559 23.899 20.732 1.00 4.34 C ATOM 0 H THR A 2 -11.945 21.683 23.703 1.00 22.12 H new ATOM 0 HA THR A 2 -14.062 23.523 22.823 1.00 2.24 H new ATOM 0 HB THR A 2 -13.886 22.231 20.575 1.00 73.25 H new ATOM 0 HG1 THR A 2 -11.690 21.545 20.130 1.00 22.01 H new ATOM 0 HG21 THR A 2 -12.227 23.834 19.696 1.00 4.34 H new ATOM 0 HG22 THR A 2 -13.374 24.619 20.808 1.00 4.34 H new ATOM 0 HG23 THR A 2 -11.729 24.224 21.359 1.00 4.34 H new ATOM 25 N SER A 3 -15.688 21.524 22.452 1.00 73.35 N ATOM 26 CA SER A 3 -16.676 20.468 22.642 1.00 64.23 C ATOM 27 C SER A 3 -16.704 19.528 21.442 1.00 12.20 C ATOM 28 O SER A 3 -17.273 19.851 20.400 1.00 12.43 O ATOM 29 CB SER A 3 -18.064 21.074 22.862 1.00 43.41 C ATOM 30 OG SER A 3 -19.081 20.117 22.621 1.00 62.43 O ATOM 0 H SER A 3 -16.030 22.333 21.934 1.00 73.35 H new ATOM 0 HA SER A 3 -16.393 19.894 23.524 1.00 64.23 H new ATOM 0 HB2 SER A 3 -18.144 21.446 23.883 1.00 43.41 H new ATOM 0 HB3 SER A 3 -18.200 21.929 22.200 1.00 43.41 H new ATOM 0 HG SER A 3 -19.491 20.288 21.747 1.00 62.43 H new ATOM 36 N ALA A 4 -16.083 18.363 21.597 1.00 25.55 N ATOM 37 CA ALA A 4 -16.037 17.373 20.527 1.00 44.11 C ATOM 38 C ALA A 4 -16.092 15.956 21.088 1.00 0.12 C ATOM 39 O ALA A 4 -15.397 15.630 22.051 1.00 64.13 O ATOM 40 CB ALA A 4 -14.784 17.563 19.687 1.00 12.40 C ATOM 0 H ALA A 4 -15.605 18.082 22.453 1.00 25.55 H new ATOM 0 HA ALA A 4 -16.911 17.518 19.892 1.00 44.11 H new ATOM 0 HB1 ALA A 4 -14.762 16.818 18.892 1.00 12.40 H new ATOM 0 HB2 ALA A 4 -14.788 18.561 19.249 1.00 12.40 H new ATOM 0 HB3 ALA A 4 -13.902 17.447 20.317 1.00 12.40 H new ATOM 46 N THR A 5 -16.923 15.116 20.478 1.00 32.35 N ATOM 47 CA THR A 5 -17.069 13.734 20.917 1.00 34.44 C ATOM 48 C THR A 5 -17.431 12.821 19.751 1.00 74.14 C ATOM 49 O THR A 5 -17.801 13.291 18.675 1.00 21.12 O ATOM 50 CB THR A 5 -18.148 13.603 22.011 1.00 15.53 C ATOM 51 OG1 THR A 5 -19.191 14.557 21.786 1.00 3.10 O ATOM 52 CG2 THR A 5 -17.547 13.816 23.392 1.00 52.42 C ATOM 0 H THR A 5 -17.505 15.369 19.679 1.00 32.35 H new ATOM 0 HA THR A 5 -16.106 13.430 21.327 1.00 34.44 H new ATOM 0 HB THR A 5 -18.562 12.596 21.964 1.00 15.53 H new ATOM 0 HG1 THR A 5 -19.873 14.466 22.484 1.00 3.10 H new ATOM 0 HG21 THR A 5 -18.327 13.719 24.147 1.00 52.42 H new ATOM 0 HG22 THR A 5 -16.773 13.069 23.571 1.00 52.42 H new ATOM 0 HG23 THR A 5 -17.109 14.813 23.449 1.00 52.42 H new ATOM 60 N ALA A 6 -17.321 11.515 19.971 1.00 65.41 N ATOM 61 CA ALA A 6 -17.641 10.537 18.938 1.00 75.34 C ATOM 62 C ALA A 6 -18.192 9.254 19.550 1.00 25.53 C ATOM 63 O ALA A 6 -18.053 9.014 20.749 1.00 33.10 O ATOM 64 CB ALA A 6 -16.408 10.237 18.099 1.00 1.24 C ATOM 0 H ALA A 6 -17.013 11.110 20.855 1.00 65.41 H new ATOM 0 HA ALA A 6 -18.412 10.961 18.294 1.00 75.34 H new ATOM 0 HB1 ALA A 6 -16.660 9.505 17.331 1.00 1.24 H new ATOM 0 HB2 ALA A 6 -16.058 11.154 17.626 1.00 1.24 H new ATOM 0 HB3 ALA A 6 -15.622 9.836 18.738 1.00 1.24 H new ATOM 70 N THR A 7 -18.822 8.430 18.717 1.00 11.03 N ATOM 71 CA THR A 7 -19.397 7.172 19.175 1.00 33.11 C ATOM 72 C THR A 7 -19.008 6.021 18.253 1.00 41.12 C ATOM 73 O THR A 7 -18.841 6.209 17.048 1.00 30.43 O ATOM 74 CB THR A 7 -20.932 7.253 19.258 1.00 0.10 C ATOM 75 OG1 THR A 7 -21.323 8.429 19.974 1.00 43.55 O ATOM 76 CG2 THR A 7 -21.503 6.021 19.945 1.00 10.42 C ATOM 0 H THR A 7 -18.946 8.612 17.721 1.00 11.03 H new ATOM 0 HA THR A 7 -18.997 6.986 20.172 1.00 33.11 H new ATOM 0 HB THR A 7 -21.326 7.299 18.243 1.00 0.10 H new ATOM 0 HG1 THR A 7 -22.301 8.474 20.021 1.00 43.55 H new ATOM 0 HG21 THR A 7 -22.589 6.101 19.992 1.00 10.42 H new ATOM 0 HG22 THR A 7 -21.229 5.130 19.381 1.00 10.42 H new ATOM 0 HG23 THR A 7 -21.101 5.948 20.955 1.00 10.42 H new ATOM 84 N PHE A 8 -18.866 4.831 18.828 1.00 44.30 N ATOM 85 CA PHE A 8 -18.498 3.650 18.056 1.00 55.44 C ATOM 86 C PHE A 8 -19.734 2.974 17.470 1.00 51.23 C ATOM 87 O PHE A 8 -20.804 2.979 18.079 1.00 43.44 O ATOM 88 CB PHE A 8 -17.731 2.660 18.935 1.00 55.34 C ATOM 89 CG PHE A 8 -17.378 1.381 18.232 1.00 51.30 C ATOM 90 CD1 PHE A 8 -16.677 1.403 17.036 1.00 22.11 C ATOM 91 CD2 PHE A 8 -17.747 0.157 18.765 1.00 0.21 C ATOM 92 CE1 PHE A 8 -16.352 0.227 16.386 1.00 42.51 C ATOM 93 CE2 PHE A 8 -17.424 -1.022 18.119 1.00 60.51 C ATOM 94 CZ PHE A 8 -16.726 -0.986 16.929 1.00 13.30 C ATOM 0 H PHE A 8 -19.000 4.659 19.824 1.00 44.30 H new ATOM 0 HA PHE A 8 -17.857 3.970 17.234 1.00 55.44 H new ATOM 0 HB2 PHE A 8 -16.816 3.135 19.289 1.00 55.34 H new ATOM 0 HB3 PHE A 8 -18.331 2.428 19.815 1.00 55.34 H new ATOM 0 HD1 PHE A 8 -16.382 2.349 16.607 1.00 22.11 H new ATOM 0 HD2 PHE A 8 -18.293 0.123 19.696 1.00 0.21 H new ATOM 0 HE1 PHE A 8 -15.806 0.257 15.455 1.00 42.51 H new ATOM 0 HE2 PHE A 8 -17.718 -1.970 18.545 1.00 60.51 H new ATOM 0 HZ PHE A 8 -16.473 -1.906 16.423 1.00 13.30 H new ATOM 104 N ALA A 9 -19.578 2.395 16.284 1.00 72.54 N ATOM 105 CA ALA A 9 -20.680 1.714 15.617 1.00 24.00 C ATOM 106 C ALA A 9 -20.167 0.629 14.675 1.00 70.15 C ATOM 107 O ALA A 9 -19.092 0.759 14.089 1.00 61.25 O ATOM 108 CB ALA A 9 -21.535 2.716 14.854 1.00 64.03 C ATOM 0 H ALA A 9 -18.699 2.384 15.766 1.00 72.54 H new ATOM 0 HA ALA A 9 -21.293 1.235 16.380 1.00 24.00 H new ATOM 0 HB1 ALA A 9 -22.355 2.194 14.360 1.00 64.03 H new ATOM 0 HB2 ALA A 9 -21.940 3.452 15.548 1.00 64.03 H new ATOM 0 HB3 ALA A 9 -20.924 3.221 14.106 1.00 64.03 H new ATOM 114 N LYS A 10 -20.941 -0.441 14.536 1.00 33.32 N ATOM 115 CA LYS A 10 -20.565 -1.549 13.666 1.00 33.32 C ATOM 116 C LYS A 10 -21.143 -1.362 12.267 1.00 20.24 C ATOM 117 O LYS A 10 -22.242 -0.831 12.103 1.00 62.13 O ATOM 118 CB LYS A 10 -21.050 -2.876 14.257 1.00 53.34 C ATOM 119 CG LYS A 10 -19.954 -3.669 14.947 1.00 0.11 C ATOM 120 CD LYS A 10 -18.915 -4.164 13.956 1.00 14.32 C ATOM 121 CE LYS A 10 -19.445 -5.321 13.122 1.00 71.15 C ATOM 122 NZ LYS A 10 -19.860 -6.471 13.972 1.00 14.33 N ATOM 0 H LYS A 10 -21.833 -0.565 15.015 1.00 33.32 H new ATOM 0 HA LYS A 10 -19.478 -1.567 13.592 1.00 33.32 H new ATOM 0 HB2 LYS A 10 -21.848 -2.676 14.972 1.00 53.34 H new ATOM 0 HB3 LYS A 10 -21.481 -3.483 13.461 1.00 53.34 H new ATOM 0 HG2 LYS A 10 -19.472 -3.046 15.700 1.00 0.11 H new ATOM 0 HG3 LYS A 10 -20.393 -4.519 15.470 1.00 0.11 H new ATOM 0 HD2 LYS A 10 -18.619 -3.346 13.299 1.00 14.32 H new ATOM 0 HD3 LYS A 10 -18.021 -4.481 14.493 1.00 14.32 H new ATOM 0 HE2 LYS A 10 -20.294 -4.982 12.529 1.00 71.15 H new ATOM 0 HE3 LYS A 10 -18.676 -5.646 12.421 1.00 71.15 H new ATOM 0 HZ1 LYS A 10 -20.135 -7.270 13.365 1.00 14.33 H new ATOM 0 HZ2 LYS A 10 -19.067 -6.756 14.581 1.00 14.33 H new ATOM 0 HZ3 LYS A 10 -20.668 -6.191 14.564 1.00 14.33 H new ATOM 136 N THR A 11 -20.398 -1.805 11.259 1.00 54.53 N ATOM 137 CA THR A 11 -20.836 -1.687 9.875 1.00 43.41 C ATOM 138 C THR A 11 -21.287 -3.035 9.323 1.00 54.32 C ATOM 139 O THR A 11 -22.455 -3.217 8.981 1.00 52.13 O ATOM 140 CB THR A 11 -19.717 -1.126 8.976 1.00 70.34 C ATOM 141 OG1 THR A 11 -19.228 0.107 9.516 1.00 4.42 O ATOM 142 CG2 THR A 11 -20.222 -0.900 7.559 1.00 34.32 C ATOM 0 H THR A 11 -19.487 -2.249 11.376 1.00 54.53 H new ATOM 0 HA THR A 11 -21.678 -0.995 9.869 1.00 43.41 H new ATOM 0 HB THR A 11 -18.907 -1.855 8.943 1.00 70.34 H new ATOM 0 HG1 THR A 11 -18.426 0.383 9.026 1.00 4.42 H new ATOM 0 HG21 THR A 11 -19.414 -0.504 6.944 1.00 34.32 H new ATOM 0 HG22 THR A 11 -20.567 -1.846 7.140 1.00 34.32 H new ATOM 0 HG23 THR A 11 -21.047 -0.188 7.576 1.00 34.32 H new ATOM 150 N SER A 12 -20.352 -3.977 9.241 1.00 1.23 N ATOM 151 CA SER A 12 -20.653 -5.308 8.728 1.00 13.14 C ATOM 152 C SER A 12 -19.462 -6.244 8.915 1.00 21.30 C ATOM 153 O SER A 12 -18.343 -5.932 8.508 1.00 4.25 O ATOM 154 CB SER A 12 -21.031 -5.235 7.247 1.00 53.52 C ATOM 155 OG SER A 12 -22.374 -5.636 7.043 1.00 21.00 O ATOM 0 H SER A 12 -19.381 -3.843 9.523 1.00 1.23 H new ATOM 0 HA SER A 12 -21.498 -5.705 9.291 1.00 13.14 H new ATOM 0 HB2 SER A 12 -20.893 -4.217 6.883 1.00 53.52 H new ATOM 0 HB3 SER A 12 -20.365 -5.874 6.667 1.00 53.52 H new ATOM 0 HG SER A 12 -22.970 -5.066 7.573 1.00 21.00 H new ATOM 161 N ASP A 13 -19.713 -7.393 9.534 1.00 53.13 N ATOM 162 CA ASP A 13 -18.663 -8.375 9.775 1.00 71.22 C ATOM 163 C ASP A 13 -18.944 -9.668 9.016 1.00 53.42 C ATOM 164 O ASP A 13 -20.030 -10.238 9.122 1.00 52.13 O ATOM 165 CB ASP A 13 -18.539 -8.665 11.272 1.00 64.33 C ATOM 166 CG ASP A 13 -19.814 -9.242 11.857 1.00 44.35 C ATOM 167 OD1 ASP A 13 -20.806 -8.490 11.973 1.00 34.54 O ATOM 168 OD2 ASP A 13 -19.820 -10.442 12.198 1.00 4.21 O ATOM 0 H ASP A 13 -20.634 -7.666 9.877 1.00 53.13 H new ATOM 0 HA ASP A 13 -17.722 -7.960 9.414 1.00 71.22 H new ATOM 0 HB2 ASP A 13 -17.718 -9.363 11.437 1.00 64.33 H new ATOM 0 HB3 ASP A 13 -18.285 -7.745 11.798 1.00 64.33 H new ATOM 173 N TRP A 14 -17.960 -10.123 8.249 1.00 31.12 N ATOM 174 CA TRP A 14 -18.102 -11.349 7.471 1.00 44.34 C ATOM 175 C TRP A 14 -17.217 -12.457 8.032 1.00 45.04 C ATOM 176 O TRP A 14 -16.126 -12.709 7.525 1.00 14.34 O ATOM 177 CB TRP A 14 -17.748 -11.090 6.005 1.00 61.11 C ATOM 178 CG TRP A 14 -16.480 -10.311 5.829 1.00 12.50 C ATOM 179 CD1 TRP A 14 -15.242 -10.814 5.544 1.00 64.42 C ATOM 180 CD2 TRP A 14 -16.326 -8.891 5.927 1.00 55.00 C ATOM 181 NE1 TRP A 14 -14.328 -9.791 5.460 1.00 20.42 N ATOM 182 CE2 TRP A 14 -14.967 -8.603 5.690 1.00 63.13 C ATOM 183 CE3 TRP A 14 -17.203 -7.836 6.191 1.00 0.42 C ATOM 184 CZ2 TRP A 14 -14.469 -7.303 5.710 1.00 40.31 C ATOM 185 CZ3 TRP A 14 -16.706 -6.546 6.210 1.00 61.41 C ATOM 186 CH2 TRP A 14 -15.350 -6.288 5.971 1.00 2.03 C ATOM 0 H TRP A 14 -17.056 -9.662 8.149 1.00 31.12 H new ATOM 0 HA TRP A 14 -19.141 -11.672 7.536 1.00 44.34 H new ATOM 0 HB2 TRP A 14 -17.654 -12.045 5.487 1.00 61.11 H new ATOM 0 HB3 TRP A 14 -18.567 -10.549 5.531 1.00 61.11 H new ATOM 0 HD1 TRP A 14 -15.015 -11.861 5.405 1.00 64.42 H new ATOM 0 HE1 TRP A 14 -13.334 -9.900 5.259 1.00 20.42 H new ATOM 0 HE3 TRP A 14 -18.250 -8.025 6.377 1.00 0.42 H new ATOM 0 HZ2 TRP A 14 -13.424 -7.102 5.526 1.00 40.31 H new ATOM 0 HZ3 TRP A 14 -17.375 -5.723 6.413 1.00 61.41 H new ATOM 0 HH2 TRP A 14 -14.993 -5.269 5.993 1.00 2.03 H new ATOM 197 N GLY A 15 -17.696 -13.115 9.084 1.00 1.45 N ATOM 198 CA GLY A 15 -16.935 -14.188 9.696 1.00 32.34 C ATOM 199 C GLY A 15 -15.755 -13.677 10.499 1.00 22.32 C ATOM 200 O GLY A 15 -15.877 -13.408 11.694 1.00 63.02 O ATOM 0 H GLY A 15 -18.597 -12.924 9.523 1.00 1.45 H new ATOM 0 HA2 GLY A 15 -17.589 -14.768 10.347 1.00 32.34 H new ATOM 0 HA3 GLY A 15 -16.577 -14.864 8.920 1.00 32.34 H new ATOM 204 N THR A 16 -14.607 -13.545 9.842 1.00 13.11 N ATOM 205 CA THR A 16 -13.400 -13.066 10.501 1.00 53.04 C ATOM 206 C THR A 16 -13.196 -11.574 10.261 1.00 10.31 C ATOM 207 O THR A 16 -12.421 -10.923 10.960 1.00 63.05 O ATOM 208 CB THR A 16 -12.152 -13.827 10.014 1.00 5.14 C ATOM 209 OG1 THR A 16 -10.982 -13.317 10.663 1.00 13.44 O ATOM 210 CG2 THR A 16 -11.998 -13.703 8.506 1.00 52.41 C ATOM 0 H THR A 16 -14.489 -13.764 8.853 1.00 13.11 H new ATOM 0 HA THR A 16 -13.532 -13.245 11.568 1.00 53.04 H new ATOM 0 HB THR A 16 -12.275 -14.881 10.265 1.00 5.14 H new ATOM 0 HG1 THR A 16 -11.089 -12.356 10.822 1.00 13.44 H new ATOM 0 HG21 THR A 16 -11.110 -14.248 8.185 1.00 52.41 H new ATOM 0 HG22 THR A 16 -12.877 -14.120 8.015 1.00 52.41 H new ATOM 0 HG23 THR A 16 -11.896 -12.652 8.236 1.00 52.41 H new ATOM 218 N GLY A 17 -13.898 -11.038 9.266 1.00 75.43 N ATOM 219 CA GLY A 17 -13.780 -9.627 8.952 1.00 62.35 C ATOM 220 C GLY A 17 -14.795 -8.781 9.696 1.00 4.25 C ATOM 221 O GLY A 17 -15.851 -9.273 10.094 1.00 65.10 O ATOM 0 H GLY A 17 -14.546 -11.556 8.673 1.00 75.43 H new ATOM 0 HA2 GLY A 17 -12.775 -9.285 9.200 1.00 62.35 H new ATOM 0 HA3 GLY A 17 -13.909 -9.485 7.879 1.00 62.35 H new ATOM 225 N PHE A 18 -14.476 -7.505 9.884 1.00 54.13 N ATOM 226 CA PHE A 18 -15.367 -6.589 10.587 1.00 42.03 C ATOM 227 C PHE A 18 -15.313 -5.195 9.968 1.00 32.33 C ATOM 228 O PHE A 18 -14.258 -4.741 9.527 1.00 71.24 O ATOM 229 CB PHE A 18 -14.992 -6.516 12.068 1.00 64.54 C ATOM 230 CG PHE A 18 -13.911 -5.516 12.365 1.00 13.34 C ATOM 231 CD1 PHE A 18 -12.576 -5.885 12.314 1.00 60.31 C ATOM 232 CD2 PHE A 18 -14.228 -4.209 12.694 1.00 5.02 C ATOM 233 CE1 PHE A 18 -11.580 -4.968 12.587 1.00 15.32 C ATOM 234 CE2 PHE A 18 -13.236 -3.287 12.968 1.00 3.12 C ATOM 235 CZ PHE A 18 -11.910 -3.667 12.913 1.00 53.10 C ATOM 0 H PHE A 18 -13.607 -7.081 9.559 1.00 54.13 H new ATOM 0 HA PHE A 18 -16.384 -6.969 10.495 1.00 42.03 H new ATOM 0 HB2 PHE A 18 -15.880 -6.262 12.647 1.00 64.54 H new ATOM 0 HB3 PHE A 18 -14.666 -7.501 12.401 1.00 64.54 H new ATOM 0 HD1 PHE A 18 -12.312 -6.900 12.058 1.00 60.31 H new ATOM 0 HD2 PHE A 18 -15.264 -3.906 12.737 1.00 5.02 H new ATOM 0 HE1 PHE A 18 -10.543 -5.268 12.546 1.00 15.32 H new ATOM 0 HE2 PHE A 18 -13.498 -2.271 13.225 1.00 3.12 H new ATOM 0 HZ PHE A 18 -11.132 -2.948 13.124 1.00 53.10 H new ATOM 245 N GLY A 19 -16.459 -4.523 9.937 1.00 71.54 N ATOM 246 CA GLY A 19 -16.522 -3.188 9.370 1.00 74.41 C ATOM 247 C GLY A 19 -16.631 -2.111 10.431 1.00 32.02 C ATOM 248 O GLY A 19 -17.620 -2.046 11.160 1.00 43.11 O ATOM 0 H GLY A 19 -17.346 -4.879 10.294 1.00 71.54 H new ATOM 0 HA2 GLY A 19 -15.632 -3.011 8.767 1.00 74.41 H new ATOM 0 HA3 GLY A 19 -17.379 -3.121 8.700 1.00 74.41 H new ATOM 252 N GLY A 20 -15.609 -1.265 10.520 1.00 63.33 N ATOM 253 CA GLY A 20 -15.613 -0.199 11.504 1.00 52.14 C ATOM 254 C GLY A 20 -16.481 0.972 11.087 1.00 23.41 C ATOM 255 O GLY A 20 -16.505 1.349 9.916 1.00 55.21 O ATOM 0 H GLY A 20 -14.779 -1.299 9.928 1.00 63.33 H new ATOM 0 HA2 GLY A 20 -15.969 -0.590 12.457 1.00 52.14 H new ATOM 0 HA3 GLY A 20 -14.592 0.148 11.663 1.00 52.14 H new ATOM 259 N SER A 21 -17.197 1.547 12.048 1.00 3.45 N ATOM 260 CA SER A 21 -18.076 2.678 11.773 1.00 2.41 C ATOM 261 C SER A 21 -18.013 3.702 12.902 1.00 1.51 C ATOM 262 O SER A 21 -18.722 3.583 13.901 1.00 31.31 O ATOM 263 CB SER A 21 -19.515 2.199 11.583 1.00 25.44 C ATOM 264 OG SER A 21 -20.002 2.541 10.296 1.00 63.41 O ATOM 0 H SER A 21 -17.186 1.249 13.023 1.00 3.45 H new ATOM 0 HA SER A 21 -17.736 3.155 10.854 1.00 2.41 H new ATOM 0 HB2 SER A 21 -19.562 1.118 11.718 1.00 25.44 H new ATOM 0 HB3 SER A 21 -20.153 2.644 12.347 1.00 25.44 H new ATOM 0 HG SER A 21 -19.876 1.784 9.687 1.00 63.41 H new ATOM 270 N TRP A 22 -17.161 4.706 12.735 1.00 12.23 N ATOM 271 CA TRP A 22 -17.004 5.751 13.740 1.00 63.14 C ATOM 272 C TRP A 22 -17.783 7.004 13.349 1.00 33.44 C ATOM 273 O TRP A 22 -17.964 7.290 12.165 1.00 32.10 O ATOM 274 CB TRP A 22 -15.526 6.093 13.926 1.00 15.41 C ATOM 275 CG TRP A 22 -14.703 4.934 14.401 1.00 20.04 C ATOM 276 CD1 TRP A 22 -13.936 4.104 13.633 1.00 71.45 C ATOM 277 CD2 TRP A 22 -14.568 4.474 15.750 1.00 23.52 C ATOM 278 NE1 TRP A 22 -13.332 3.156 14.425 1.00 40.30 N ATOM 279 CE2 TRP A 22 -13.703 3.362 15.727 1.00 50.02 C ATOM 280 CE3 TRP A 22 -15.093 4.895 16.976 1.00 11.43 C ATOM 281 CZ2 TRP A 22 -13.354 2.669 16.882 1.00 31.34 C ATOM 282 CZ3 TRP A 22 -14.745 4.205 18.120 1.00 31.21 C ATOM 283 CH2 TRP A 22 -13.882 3.102 18.068 1.00 74.12 C ATOM 0 H TRP A 22 -16.568 4.819 11.913 1.00 12.23 H new ATOM 0 HA TRP A 22 -17.403 5.376 14.682 1.00 63.14 H new ATOM 0 HB2 TRP A 22 -15.122 6.453 12.980 1.00 15.41 H new ATOM 0 HB3 TRP A 22 -15.437 6.910 14.642 1.00 15.41 H new ATOM 0 HD1 TRP A 22 -13.821 4.181 12.562 1.00 71.45 H new ATOM 0 HE1 TRP A 22 -12.709 2.419 14.096 1.00 40.30 H new ATOM 0 HE3 TRP A 22 -15.758 5.744 17.027 1.00 11.43 H new ATOM 0 HZ2 TRP A 22 -12.689 1.819 16.844 1.00 31.34 H new ATOM 0 HZ3 TRP A 22 -15.145 4.521 19.072 1.00 31.21 H new ATOM 0 HH2 TRP A 22 -13.629 2.584 18.981 1.00 74.12 H new ATOM 294 N THR A 23 -18.242 7.747 14.352 1.00 15.34 N ATOM 295 CA THR A 23 -19.001 8.967 14.112 1.00 41.11 C ATOM 296 C THR A 23 -18.437 10.133 14.917 1.00 13.25 C ATOM 297 O THR A 23 -18.584 10.186 16.138 1.00 51.41 O ATOM 298 CB THR A 23 -20.488 8.783 14.470 1.00 70.25 C ATOM 299 OG1 THR A 23 -20.936 7.490 14.051 1.00 11.45 O ATOM 300 CG2 THR A 23 -21.339 9.858 13.813 1.00 43.22 C ATOM 0 H THR A 23 -18.101 7.525 15.337 1.00 15.34 H new ATOM 0 HA THR A 23 -18.915 9.188 13.048 1.00 41.11 H new ATOM 0 HB THR A 23 -20.592 8.870 15.551 1.00 70.25 H new ATOM 0 HG1 THR A 23 -21.882 7.380 14.284 1.00 11.45 H new ATOM 0 HG21 THR A 23 -22.385 9.708 14.080 1.00 43.22 H new ATOM 0 HG22 THR A 23 -21.014 10.840 14.157 1.00 43.22 H new ATOM 0 HG23 THR A 23 -21.229 9.798 12.730 1.00 43.22 H new ATOM 308 N VAL A 24 -17.790 11.066 14.224 1.00 22.34 N ATOM 309 CA VAL A 24 -17.205 12.232 14.874 1.00 65.30 C ATOM 310 C VAL A 24 -18.098 13.457 14.712 1.00 55.04 C ATOM 311 O VAL A 24 -18.559 13.762 13.612 1.00 20.14 O ATOM 312 CB VAL A 24 -15.808 12.549 14.308 1.00 2.14 C ATOM 313 CG1 VAL A 24 -15.131 13.634 15.132 1.00 12.23 C ATOM 314 CG2 VAL A 24 -14.954 11.291 14.262 1.00 43.13 C ATOM 0 H VAL A 24 -17.658 11.036 13.213 1.00 22.34 H new ATOM 0 HA VAL A 24 -17.113 11.991 15.933 1.00 65.30 H new ATOM 0 HB VAL A 24 -15.923 12.919 13.289 1.00 2.14 H new ATOM 0 HG11 VAL A 24 -14.145 13.844 14.717 1.00 12.23 H new ATOM 0 HG12 VAL A 24 -15.736 14.540 15.107 1.00 12.23 H new ATOM 0 HG13 VAL A 24 -15.026 13.296 16.163 1.00 12.23 H new ATOM 0 HG21 VAL A 24 -13.970 11.533 13.860 1.00 43.13 H new ATOM 0 HG22 VAL A 24 -14.845 10.888 15.269 1.00 43.13 H new ATOM 0 HG23 VAL A 24 -15.434 10.549 13.624 1.00 43.13 H new ATOM 324 N LYS A 25 -18.336 14.159 15.815 1.00 2.41 N ATOM 325 CA LYS A 25 -19.172 15.354 15.796 1.00 64.41 C ATOM 326 C LYS A 25 -18.498 16.501 16.541 1.00 44.40 C ATOM 327 O LYS A 25 -18.093 16.352 17.693 1.00 42.15 O ATOM 328 CB LYS A 25 -20.537 15.057 16.422 1.00 74.40 C ATOM 329 CG LYS A 25 -21.565 16.149 16.188 1.00 4.52 C ATOM 330 CD LYS A 25 -22.850 15.588 15.601 1.00 51.34 C ATOM 331 CE LYS A 25 -23.558 14.671 16.585 1.00 22.31 C ATOM 332 NZ LYS A 25 -24.947 15.126 16.868 1.00 42.51 N ATOM 0 H LYS A 25 -17.962 13.921 16.734 1.00 2.41 H new ATOM 0 HA LYS A 25 -19.313 15.652 14.757 1.00 64.41 H new ATOM 0 HB2 LYS A 25 -20.917 14.119 16.016 1.00 74.40 H new ATOM 0 HB3 LYS A 25 -20.411 14.912 17.495 1.00 74.40 H new ATOM 0 HG2 LYS A 25 -21.783 16.652 17.130 1.00 4.52 H new ATOM 0 HG3 LYS A 25 -21.153 16.900 15.513 1.00 4.52 H new ATOM 0 HD2 LYS A 25 -23.513 16.408 15.324 1.00 51.34 H new ATOM 0 HD3 LYS A 25 -22.624 15.038 14.687 1.00 51.34 H new ATOM 0 HE2 LYS A 25 -23.583 13.658 16.184 1.00 22.31 H new ATOM 0 HE3 LYS A 25 -22.992 14.631 17.516 1.00 22.31 H new ATOM 0 HZ1 LYS A 25 -25.395 14.474 17.543 1.00 42.51 H new ATOM 0 HZ2 LYS A 25 -24.923 16.083 17.275 1.00 42.51 H new ATOM 0 HZ3 LYS A 25 -25.495 15.139 15.984 1.00 42.51 H new ATOM 346 N ASN A 26 -18.383 17.646 15.876 1.00 54.43 N ATOM 347 CA ASN A 26 -17.758 18.820 16.476 1.00 73.30 C ATOM 348 C ASN A 26 -18.741 19.984 16.543 1.00 63.00 C ATOM 349 O ASN A 26 -19.284 20.413 15.525 1.00 41.20 O ATOM 350 CB ASN A 26 -16.519 19.228 15.677 1.00 22.00 C ATOM 351 CG ASN A 26 -15.782 18.035 15.101 1.00 33.30 C ATOM 352 OD1 ASN A 26 -14.882 17.482 15.735 1.00 4.10 O ATOM 353 ND2 ASN A 26 -16.161 17.631 13.895 1.00 14.22 N ATOM 0 H ASN A 26 -18.714 17.786 14.922 1.00 54.43 H new ATOM 0 HA ASN A 26 -17.458 18.563 17.492 1.00 73.30 H new ATOM 0 HB2 ASN A 26 -16.816 19.894 14.867 1.00 22.00 H new ATOM 0 HB3 ASN A 26 -15.844 19.792 16.321 1.00 22.00 H new ATOM 0 HD21 ASN A 26 -15.702 16.832 13.457 1.00 14.22 H new ATOM 0 HD22 ASN A 26 -16.911 18.119 13.406 1.00 14.22 H new ATOM 360 N THR A 27 -18.966 20.493 17.750 1.00 52.24 N ATOM 361 CA THR A 27 -19.882 21.607 17.952 1.00 64.24 C ATOM 362 C THR A 27 -19.824 22.116 19.388 1.00 1.44 C ATOM 363 O THR A 27 -19.432 21.388 20.298 1.00 72.25 O ATOM 364 CB THR A 27 -21.333 21.209 17.620 1.00 1.02 C ATOM 365 OG1 THR A 27 -22.214 22.308 17.872 1.00 42.24 O ATOM 366 CG2 THR A 27 -21.766 20.007 18.446 1.00 10.24 C ATOM 0 H THR A 27 -18.525 20.150 18.604 1.00 52.24 H new ATOM 0 HA THR A 27 -19.566 22.401 17.275 1.00 64.24 H new ATOM 0 HB THR A 27 -21.380 20.942 16.564 1.00 1.02 H new ATOM 0 HG1 THR A 27 -23.133 22.046 17.657 1.00 42.24 H new ATOM 0 HG21 THR A 27 -22.794 19.744 18.195 1.00 10.24 H new ATOM 0 HG22 THR A 27 -21.112 19.162 18.230 1.00 10.24 H new ATOM 0 HG23 THR A 27 -21.703 20.252 19.506 1.00 10.24 H new ATOM 374 N GLY A 28 -20.216 23.372 19.583 1.00 14.32 N ATOM 375 CA GLY A 28 -20.200 23.955 20.911 1.00 63.53 C ATOM 376 C GLY A 28 -19.179 25.068 21.044 1.00 11.34 C ATOM 377 O GLY A 28 -19.282 25.915 21.932 1.00 22.31 O ATOM 0 H GLY A 28 -20.544 23.995 18.845 1.00 14.32 H new ATOM 0 HA2 GLY A 28 -21.191 24.345 21.145 1.00 63.53 H new ATOM 0 HA3 GLY A 28 -19.982 23.177 21.643 1.00 63.53 H new ATOM 381 N THR A 29 -18.186 25.066 20.159 1.00 41.22 N ATOM 382 CA THR A 29 -17.141 26.081 20.182 1.00 53.15 C ATOM 383 C THR A 29 -16.926 26.682 18.798 1.00 1.13 C ATOM 384 O THR A 29 -17.557 26.267 17.824 1.00 62.25 O ATOM 385 CB THR A 29 -15.807 25.501 20.689 1.00 13.10 C ATOM 386 OG1 THR A 29 -15.974 24.123 21.041 1.00 53.34 O ATOM 387 CG2 THR A 29 -15.300 26.279 21.894 1.00 63.22 C ATOM 0 H THR A 29 -18.084 24.373 19.418 1.00 41.22 H new ATOM 0 HA THR A 29 -17.474 26.862 20.866 1.00 53.15 H new ATOM 0 HB THR A 29 -15.073 25.585 19.888 1.00 13.10 H new ATOM 0 HG1 THR A 29 -15.642 23.557 20.313 1.00 53.34 H new ATOM 0 HG21 THR A 29 -14.357 25.850 22.233 1.00 63.22 H new ATOM 0 HG22 THR A 29 -15.145 27.321 21.615 1.00 63.22 H new ATOM 0 HG23 THR A 29 -16.034 26.224 22.698 1.00 63.22 H new ATOM 395 N THR A 30 -16.032 27.663 18.715 1.00 62.10 N ATOM 396 CA THR A 30 -15.736 28.321 17.449 1.00 53.23 C ATOM 397 C THR A 30 -15.207 27.327 16.422 1.00 64.20 C ATOM 398 O THR A 30 -15.220 26.117 16.652 1.00 23.04 O ATOM 399 CB THR A 30 -14.703 29.450 17.632 1.00 65.12 C ATOM 400 OG1 THR A 30 -14.436 29.648 19.025 1.00 74.03 O ATOM 401 CG2 THR A 30 -15.206 30.748 17.017 1.00 14.21 C ATOM 0 H THR A 30 -15.501 28.019 19.510 1.00 62.10 H new ATOM 0 HA THR A 30 -16.672 28.748 17.088 1.00 53.23 H new ATOM 0 HB THR A 30 -13.784 29.158 17.124 1.00 65.12 H new ATOM 0 HG1 THR A 30 -13.777 30.366 19.133 1.00 74.03 H new ATOM 0 HG21 THR A 30 -14.460 31.530 17.158 1.00 14.21 H new ATOM 0 HG22 THR A 30 -15.381 30.602 15.951 1.00 14.21 H new ATOM 0 HG23 THR A 30 -16.137 31.043 17.500 1.00 14.21 H new ATOM 409 N SER A 31 -14.743 27.844 15.289 1.00 33.40 N ATOM 410 CA SER A 31 -14.213 26.999 14.225 1.00 70.05 C ATOM 411 C SER A 31 -13.159 26.039 14.768 1.00 10.34 C ATOM 412 O SER A 31 -12.138 26.461 15.311 1.00 62.33 O ATOM 413 CB SER A 31 -13.610 27.861 13.115 1.00 3.44 C ATOM 414 OG SER A 31 -13.802 27.263 11.843 1.00 75.12 O ATOM 0 H SER A 31 -14.723 28.843 15.084 1.00 33.40 H new ATOM 0 HA SER A 31 -15.036 26.413 13.815 1.00 70.05 H new ATOM 0 HB2 SER A 31 -14.069 28.850 13.128 1.00 3.44 H new ATOM 0 HB3 SER A 31 -12.545 28.001 13.297 1.00 3.44 H new ATOM 0 HG SER A 31 -13.925 26.297 11.951 1.00 75.12 H new ATOM 420 N LEU A 32 -13.414 24.744 14.616 1.00 5.33 N ATOM 421 CA LEU A 32 -12.489 23.721 15.090 1.00 34.34 C ATOM 422 C LEU A 32 -11.114 23.893 14.452 1.00 32.34 C ATOM 423 O LEU A 32 -10.900 24.800 13.649 1.00 5.44 O ATOM 424 CB LEU A 32 -13.038 22.326 14.781 1.00 13.32 C ATOM 425 CG LEU A 32 -13.185 21.384 15.976 1.00 21.22 C ATOM 426 CD1 LEU A 32 -14.344 21.819 16.859 1.00 71.31 C ATOM 427 CD2 LEU A 32 -13.382 19.951 15.503 1.00 14.20 C ATOM 0 H LEU A 32 -14.254 24.378 14.168 1.00 5.33 H new ATOM 0 HA LEU A 32 -12.384 23.832 16.169 1.00 34.34 H new ATOM 0 HB2 LEU A 32 -14.014 22.438 14.309 1.00 13.32 H new ATOM 0 HB3 LEU A 32 -12.383 21.853 14.049 1.00 13.32 H new ATOM 0 HG LEU A 32 -12.269 21.429 16.565 1.00 21.22 H new ATOM 0 HD11 LEU A 32 -14.433 21.137 17.704 1.00 71.31 H new ATOM 0 HD12 LEU A 32 -14.163 22.829 17.226 1.00 71.31 H new ATOM 0 HD13 LEU A 32 -15.268 21.803 16.281 1.00 71.31 H new ATOM 0 HD21 LEU A 32 -13.485 19.294 16.366 1.00 14.20 H new ATOM 0 HD22 LEU A 32 -14.282 19.890 14.891 1.00 14.20 H new ATOM 0 HD23 LEU A 32 -12.520 19.641 14.912 1.00 14.20 H new ATOM 439 N SER A 33 -10.186 23.012 14.814 1.00 14.21 N ATOM 440 CA SER A 33 -8.831 23.067 14.277 1.00 21.00 C ATOM 441 C SER A 33 -8.480 21.771 13.553 1.00 4.25 C ATOM 442 O SER A 33 -7.724 21.774 12.583 1.00 13.23 O ATOM 443 CB SER A 33 -7.825 23.325 15.401 1.00 21.23 C ATOM 444 OG SER A 33 -7.682 22.184 16.229 1.00 30.24 O ATOM 0 H SER A 33 -10.347 22.253 15.476 1.00 14.21 H new ATOM 0 HA SER A 33 -8.784 23.887 13.560 1.00 21.00 H new ATOM 0 HB2 SER A 33 -6.858 23.592 14.974 1.00 21.23 H new ATOM 0 HB3 SER A 33 -8.154 24.174 16.000 1.00 21.23 H new ATOM 0 HG SER A 33 -7.033 22.374 16.938 1.00 30.24 H new ATOM 450 N SER A 34 -9.038 20.663 14.032 1.00 55.01 N ATOM 451 CA SER A 34 -8.782 19.359 13.434 1.00 34.14 C ATOM 452 C SER A 34 -9.529 18.261 14.184 1.00 22.42 C ATOM 453 O SER A 34 -9.933 18.443 15.333 1.00 72.23 O ATOM 454 CB SER A 34 -7.281 19.060 13.432 1.00 71.42 C ATOM 455 OG SER A 34 -6.700 19.363 14.688 1.00 75.42 O ATOM 0 H SER A 34 -9.670 20.643 14.832 1.00 55.01 H new ATOM 0 HA SER A 34 -9.142 19.382 12.405 1.00 34.14 H new ATOM 0 HB2 SER A 34 -7.117 18.009 13.196 1.00 71.42 H new ATOM 0 HB3 SER A 34 -6.792 19.642 12.651 1.00 71.42 H new ATOM 0 HG SER A 34 -5.741 19.162 14.662 1.00 75.42 H new ATOM 461 N TRP A 35 -9.710 17.121 13.527 1.00 42.34 N ATOM 462 CA TRP A 35 -10.410 15.993 14.131 1.00 14.24 C ATOM 463 C TRP A 35 -9.700 14.680 13.817 1.00 4.31 C ATOM 464 O TRP A 35 -9.399 14.387 12.659 1.00 54.21 O ATOM 465 CB TRP A 35 -11.855 15.936 13.634 1.00 43.24 C ATOM 466 CG TRP A 35 -11.970 15.613 12.176 1.00 10.22 C ATOM 467 CD1 TRP A 35 -12.005 16.502 11.139 1.00 43.12 C ATOM 468 CD2 TRP A 35 -12.066 14.309 11.592 1.00 15.43 C ATOM 469 NE1 TRP A 35 -12.118 15.829 9.947 1.00 12.31 N ATOM 470 CE2 TRP A 35 -12.155 14.483 10.197 1.00 25.41 C ATOM 471 CE3 TRP A 35 -12.082 13.012 12.111 1.00 72.13 C ATOM 472 CZ2 TRP A 35 -12.262 13.407 9.319 1.00 52.41 C ATOM 473 CZ3 TRP A 35 -12.188 11.946 11.239 1.00 31.22 C ATOM 474 CH2 TRP A 35 -12.276 12.149 9.855 1.00 33.23 C ATOM 0 H TRP A 35 -9.382 16.953 12.576 1.00 42.34 H new ATOM 0 HA TRP A 35 -10.411 16.136 15.212 1.00 14.24 H new ATOM 0 HB2 TRP A 35 -12.400 15.187 14.209 1.00 43.24 H new ATOM 0 HB3 TRP A 35 -12.335 16.896 13.825 1.00 43.24 H new ATOM 0 HD1 TRP A 35 -11.952 17.576 11.242 1.00 43.12 H new ATOM 0 HE1 TRP A 35 -12.167 16.262 9.025 1.00 12.31 H new ATOM 0 HE3 TRP A 35 -12.013 12.846 13.176 1.00 72.13 H new ATOM 0 HZ2 TRP A 35 -12.331 13.561 8.252 1.00 52.41 H new ATOM 0 HZ3 TRP A 35 -12.203 10.939 11.630 1.00 31.22 H new ATOM 0 HH2 TRP A 35 -12.356 11.295 9.199 1.00 33.23 H new ATOM 485 N THR A 36 -9.434 13.892 14.854 1.00 24.12 N ATOM 486 CA THR A 36 -8.759 12.611 14.687 1.00 63.14 C ATOM 487 C THR A 36 -9.199 11.615 15.754 1.00 31.10 C ATOM 488 O THR A 36 -9.216 11.930 16.944 1.00 43.53 O ATOM 489 CB THR A 36 -7.229 12.772 14.751 1.00 13.12 C ATOM 490 OG1 THR A 36 -6.798 13.752 13.799 1.00 61.43 O ATOM 491 CG2 THR A 36 -6.534 11.447 14.470 1.00 61.53 C ATOM 0 H THR A 36 -9.676 14.119 15.819 1.00 24.12 H new ATOM 0 HA THR A 36 -9.037 12.232 13.704 1.00 63.14 H new ATOM 0 HB THR A 36 -6.962 13.100 15.756 1.00 13.12 H new ATOM 0 HG1 THR A 36 -5.824 13.849 13.848 1.00 61.43 H new ATOM 0 HG21 THR A 36 -5.454 11.585 14.521 1.00 61.53 H new ATOM 0 HG22 THR A 36 -6.841 10.710 15.213 1.00 61.53 H new ATOM 0 HG23 THR A 36 -6.809 11.096 13.475 1.00 61.53 H new ATOM 499 N VAL A 37 -9.555 10.409 15.320 1.00 40.45 N ATOM 500 CA VAL A 37 -9.994 9.366 16.239 1.00 11.25 C ATOM 501 C VAL A 37 -8.992 8.218 16.284 1.00 60.40 C ATOM 502 O VAL A 37 -8.905 7.420 15.350 1.00 61.40 O ATOM 503 CB VAL A 37 -11.375 8.812 15.840 1.00 51.25 C ATOM 504 CG1 VAL A 37 -11.915 7.893 16.926 1.00 51.21 C ATOM 505 CG2 VAL A 37 -12.345 9.951 15.564 1.00 53.02 C ATOM 0 H VAL A 37 -9.548 10.131 14.339 1.00 40.45 H new ATOM 0 HA VAL A 37 -10.065 9.822 17.226 1.00 11.25 H new ATOM 0 HB VAL A 37 -11.264 8.229 14.926 1.00 51.25 H new ATOM 0 HG11 VAL A 37 -12.891 7.511 16.627 1.00 51.21 H new ATOM 0 HG12 VAL A 37 -11.228 7.059 17.072 1.00 51.21 H new ATOM 0 HG13 VAL A 37 -12.013 8.450 17.858 1.00 51.21 H new ATOM 0 HG21 VAL A 37 -13.316 9.542 15.283 1.00 53.02 H new ATOM 0 HG22 VAL A 37 -12.454 10.562 16.460 1.00 53.02 H new ATOM 0 HG23 VAL A 37 -11.962 10.566 14.750 1.00 53.02 H new ATOM 515 N GLU A 38 -8.238 8.140 17.376 1.00 12.00 N ATOM 516 CA GLU A 38 -7.242 7.088 17.542 1.00 41.12 C ATOM 517 C GLU A 38 -7.568 6.217 18.752 1.00 14.13 C ATOM 518 O GLU A 38 -7.904 6.723 19.822 1.00 42.40 O ATOM 519 CB GLU A 38 -5.847 7.697 17.699 1.00 0.35 C ATOM 520 CG GLU A 38 -5.592 8.288 19.075 1.00 13.23 C ATOM 521 CD GLU A 38 -4.312 9.100 19.133 1.00 22.34 C ATOM 522 OE1 GLU A 38 -3.582 9.128 18.120 1.00 75.04 O ATOM 523 OE2 GLU A 38 -4.041 9.707 20.190 1.00 73.42 O ATOM 0 H GLU A 38 -8.298 8.792 18.158 1.00 12.00 H new ATOM 0 HA GLU A 38 -7.259 6.462 16.650 1.00 41.12 H new ATOM 0 HB2 GLU A 38 -5.100 6.929 17.499 1.00 0.35 H new ATOM 0 HB3 GLU A 38 -5.713 8.476 16.948 1.00 0.35 H new ATOM 0 HG2 GLU A 38 -6.433 8.922 19.356 1.00 13.23 H new ATOM 0 HG3 GLU A 38 -5.541 7.483 19.808 1.00 13.23 H new ATOM 530 N TRP A 39 -7.464 4.905 18.573 1.00 62.05 N ATOM 531 CA TRP A 39 -7.748 3.963 19.649 1.00 11.11 C ATOM 532 C TRP A 39 -6.679 2.878 19.719 1.00 74.32 C ATOM 533 O TRP A 39 -5.797 2.807 18.863 1.00 24.01 O ATOM 534 CB TRP A 39 -9.124 3.327 19.448 1.00 25.21 C ATOM 535 CG TRP A 39 -9.823 3.799 18.209 1.00 52.41 C ATOM 536 CD1 TRP A 39 -10.909 4.625 18.144 1.00 55.23 C ATOM 537 CD2 TRP A 39 -9.482 3.473 16.857 1.00 45.01 C ATOM 538 NE1 TRP A 39 -11.265 4.832 16.833 1.00 13.01 N ATOM 539 CE2 TRP A 39 -10.404 4.137 16.024 1.00 61.43 C ATOM 540 CE3 TRP A 39 -8.488 2.688 16.269 1.00 54.32 C ATOM 541 CZ2 TRP A 39 -10.360 4.035 14.636 1.00 42.34 C ATOM 542 CZ3 TRP A 39 -8.445 2.588 14.892 1.00 12.35 C ATOM 543 CH2 TRP A 39 -9.376 3.260 14.088 1.00 1.24 C ATOM 0 H TRP A 39 -7.185 4.470 17.694 1.00 62.05 H new ATOM 0 HA TRP A 39 -7.743 4.513 20.590 1.00 11.11 H new ATOM 0 HB2 TRP A 39 -9.012 2.244 19.403 1.00 25.21 H new ATOM 0 HB3 TRP A 39 -9.748 3.547 20.314 1.00 25.21 H new ATOM 0 HD1 TRP A 39 -11.414 5.053 18.998 1.00 55.23 H new ATOM 0 HE1 TRP A 39 -12.043 5.409 16.514 1.00 13.01 H new ATOM 0 HE3 TRP A 39 -7.765 2.168 16.880 1.00 54.32 H new ATOM 0 HZ2 TRP A 39 -11.078 4.550 14.014 1.00 42.34 H new ATOM 0 HZ3 TRP A 39 -7.681 1.982 14.427 1.00 12.35 H new ATOM 0 HH2 TRP A 39 -9.315 3.164 13.014 1.00 1.24 H new ATOM 554 N ASP A 40 -6.763 2.036 20.743 1.00 13.35 N ATOM 555 CA ASP A 40 -5.803 0.953 20.923 1.00 60.24 C ATOM 556 C ASP A 40 -6.360 -0.363 20.389 1.00 42.50 C ATOM 557 O ASP A 40 -7.511 -0.712 20.649 1.00 22.33 O ATOM 558 CB ASP A 40 -5.441 0.805 22.402 1.00 15.21 C ATOM 559 CG ASP A 40 -4.666 1.996 22.930 1.00 60.40 C ATOM 560 OD1 ASP A 40 -5.256 3.092 23.027 1.00 31.34 O ATOM 561 OD2 ASP A 40 -3.469 1.832 23.247 1.00 1.31 O ATOM 0 H ASP A 40 -7.486 2.082 21.461 1.00 13.35 H new ATOM 0 HA ASP A 40 -4.904 1.201 20.359 1.00 60.24 H new ATOM 0 HB2 ASP A 40 -6.353 0.681 22.986 1.00 15.21 H new ATOM 0 HB3 ASP A 40 -4.849 -0.100 22.539 1.00 15.21 H new ATOM 566 N PHE A 41 -5.537 -1.087 19.640 1.00 13.42 N ATOM 567 CA PHE A 41 -5.947 -2.364 19.066 1.00 40.42 C ATOM 568 C PHE A 41 -5.046 -3.494 19.553 1.00 14.40 C ATOM 569 O PHE A 41 -4.154 -3.962 18.843 1.00 63.15 O ATOM 570 CB PHE A 41 -5.916 -2.294 17.538 1.00 24.44 C ATOM 571 CG PHE A 41 -7.245 -1.950 16.926 1.00 73.23 C ATOM 572 CD1 PHE A 41 -8.406 -2.564 17.368 1.00 74.43 C ATOM 573 CD2 PHE A 41 -7.332 -1.013 15.910 1.00 22.40 C ATOM 574 CE1 PHE A 41 -9.630 -2.249 16.809 1.00 51.54 C ATOM 575 CE2 PHE A 41 -8.554 -0.694 15.347 1.00 0.53 C ATOM 576 CZ PHE A 41 -9.703 -1.314 15.796 1.00 65.13 C ATOM 0 H PHE A 41 -4.581 -0.812 19.415 1.00 13.42 H new ATOM 0 HA PHE A 41 -6.966 -2.570 19.393 1.00 40.42 H new ATOM 0 HB2 PHE A 41 -5.180 -1.550 17.231 1.00 24.44 H new ATOM 0 HB3 PHE A 41 -5.582 -3.254 17.145 1.00 24.44 H new ATOM 0 HD1 PHE A 41 -8.354 -3.298 18.159 1.00 74.43 H new ATOM 0 HD2 PHE A 41 -6.436 -0.526 15.554 1.00 22.40 H new ATOM 0 HE1 PHE A 41 -10.528 -2.733 17.164 1.00 51.54 H new ATOM 0 HE2 PHE A 41 -8.610 0.040 14.556 1.00 0.53 H new ATOM 0 HZ PHE A 41 -10.658 -1.068 15.355 1.00 65.13 H new ATOM 586 N PRO A 42 -5.281 -3.945 20.795 1.00 11.54 N ATOM 587 CA PRO A 42 -4.501 -5.026 21.405 1.00 2.13 C ATOM 588 C PRO A 42 -4.777 -6.378 20.756 1.00 12.21 C ATOM 589 O PRO A 42 -3.852 -7.103 20.388 1.00 73.32 O ATOM 590 CB PRO A 42 -4.974 -5.026 22.861 1.00 41.54 C ATOM 591 CG PRO A 42 -6.343 -4.441 22.814 1.00 63.43 C ATOM 592 CD PRO A 42 -6.326 -3.435 21.697 1.00 45.51 C ATOM 0 HA PRO A 42 -3.428 -4.869 21.290 1.00 2.13 H new ATOM 0 HB2 PRO A 42 -4.989 -6.035 23.273 1.00 41.54 H new ATOM 0 HB3 PRO A 42 -4.312 -4.434 23.492 1.00 41.54 H new ATOM 0 HG2 PRO A 42 -7.091 -5.213 22.633 1.00 63.43 H new ATOM 0 HG3 PRO A 42 -6.597 -3.967 23.762 1.00 63.43 H new ATOM 0 HD2 PRO A 42 -7.293 -3.373 21.197 1.00 45.51 H new ATOM 0 HD3 PRO A 42 -6.090 -2.435 22.060 1.00 45.51 H new ATOM 600 N THR A 43 -6.056 -6.713 20.618 1.00 4.24 N ATOM 601 CA THR A 43 -6.454 -7.978 20.013 1.00 55.34 C ATOM 602 C THR A 43 -6.230 -7.962 18.506 1.00 23.24 C ATOM 603 O THR A 43 -6.393 -6.931 17.856 1.00 11.40 O ATOM 604 CB THR A 43 -7.934 -8.296 20.299 1.00 4.44 C ATOM 605 OG1 THR A 43 -8.714 -7.096 20.235 1.00 73.11 O ATOM 606 CG2 THR A 43 -8.096 -8.940 21.666 1.00 35.31 C ATOM 0 H THR A 43 -6.834 -6.125 20.917 1.00 4.24 H new ATOM 0 HA THR A 43 -5.831 -8.752 20.461 1.00 55.34 H new ATOM 0 HB THR A 43 -8.284 -8.998 19.542 1.00 4.44 H new ATOM 0 HG1 THR A 43 -9.654 -7.307 20.416 1.00 73.11 H new ATOM 0 HG21 THR A 43 -9.150 -9.155 21.844 1.00 35.31 H new ATOM 0 HG22 THR A 43 -7.525 -9.868 21.701 1.00 35.31 H new ATOM 0 HG23 THR A 43 -7.729 -8.260 22.435 1.00 35.31 H new ATOM 614 N GLY A 44 -5.857 -9.114 17.955 1.00 52.51 N ATOM 615 CA GLY A 44 -5.617 -9.210 16.527 1.00 52.44 C ATOM 616 C GLY A 44 -6.573 -8.354 15.720 1.00 54.25 C ATOM 617 O GLY A 44 -7.724 -8.733 15.500 1.00 40.32 O ATOM 0 H GLY A 44 -5.717 -9.982 18.472 1.00 52.51 H new ATOM 0 HA2 GLY A 44 -4.592 -8.906 16.313 1.00 52.44 H new ATOM 0 HA3 GLY A 44 -5.713 -10.250 16.215 1.00 52.44 H new ATOM 621 N THR A 45 -6.098 -7.193 15.279 1.00 52.54 N ATOM 622 CA THR A 45 -6.918 -6.279 14.494 1.00 31.14 C ATOM 623 C THR A 45 -6.055 -5.381 13.615 1.00 11.24 C ATOM 624 O THR A 45 -4.915 -5.069 13.959 1.00 41.45 O ATOM 625 CB THR A 45 -7.800 -5.398 15.400 1.00 40.30 C ATOM 626 OG1 THR A 45 -7.029 -4.901 16.500 1.00 0.12 O ATOM 627 CG2 THR A 45 -8.993 -6.183 15.922 1.00 62.44 C ATOM 0 H THR A 45 -5.148 -6.864 15.453 1.00 52.54 H new ATOM 0 HA THR A 45 -7.558 -6.893 13.861 1.00 31.14 H new ATOM 0 HB THR A 45 -8.169 -4.560 14.808 1.00 40.30 H new ATOM 0 HG1 THR A 45 -7.393 -4.039 16.792 1.00 0.12 H new ATOM 0 HG21 THR A 45 -9.601 -5.540 16.559 1.00 62.44 H new ATOM 0 HG22 THR A 45 -9.593 -6.534 15.082 1.00 62.44 H new ATOM 0 HG23 THR A 45 -8.641 -7.038 16.499 1.00 62.44 H new ATOM 635 N LYS A 46 -6.605 -4.970 12.478 1.00 24.02 N ATOM 636 CA LYS A 46 -5.887 -4.106 11.548 1.00 71.43 C ATOM 637 C LYS A 46 -6.796 -3.659 10.407 1.00 31.52 C ATOM 638 O LYS A 46 -7.474 -4.476 9.784 1.00 34.03 O ATOM 639 CB LYS A 46 -4.664 -4.833 10.985 1.00 74.15 C ATOM 640 CG LYS A 46 -4.976 -6.215 10.439 1.00 20.44 C ATOM 641 CD LYS A 46 -3.995 -6.621 9.353 1.00 53.30 C ATOM 642 CE LYS A 46 -2.576 -6.721 9.892 1.00 0.14 C ATOM 643 NZ LYS A 46 -1.663 -5.744 9.236 1.00 35.42 N ATOM 0 H LYS A 46 -7.547 -5.221 12.178 1.00 24.02 H new ATOM 0 HA LYS A 46 -5.557 -3.222 12.094 1.00 71.43 H new ATOM 0 HB2 LYS A 46 -4.226 -4.228 10.191 1.00 74.15 H new ATOM 0 HB3 LYS A 46 -3.912 -4.923 11.769 1.00 74.15 H new ATOM 0 HG2 LYS A 46 -4.944 -6.943 11.250 1.00 20.44 H new ATOM 0 HG3 LYS A 46 -5.990 -6.228 10.038 1.00 20.44 H new ATOM 0 HD2 LYS A 46 -4.294 -7.581 8.932 1.00 53.30 H new ATOM 0 HD3 LYS A 46 -4.027 -5.893 8.542 1.00 53.30 H new ATOM 0 HE2 LYS A 46 -2.583 -6.546 10.968 1.00 0.14 H new ATOM 0 HE3 LYS A 46 -2.199 -7.732 9.736 1.00 0.14 H new ATOM 0 HZ1 LYS A 46 -0.706 -5.844 9.631 1.00 35.42 H new ATOM 0 HZ2 LYS A 46 -1.636 -5.927 8.213 1.00 35.42 H new ATOM 0 HZ3 LYS A 46 -2.008 -4.778 9.406 1.00 35.42 H new ATOM 657 N VAL A 47 -6.803 -2.358 10.139 1.00 2.40 N ATOM 658 CA VAL A 47 -7.627 -1.803 9.070 1.00 42.22 C ATOM 659 C VAL A 47 -6.922 -1.907 7.722 1.00 74.43 C ATOM 660 O VAL A 47 -6.080 -1.075 7.383 1.00 0.32 O ATOM 661 CB VAL A 47 -7.978 -0.328 9.341 1.00 73.11 C ATOM 662 CG1 VAL A 47 -8.744 0.263 8.167 1.00 25.53 C ATOM 663 CG2 VAL A 47 -8.775 -0.198 10.629 1.00 24.20 C ATOM 0 H VAL A 47 -6.248 -1.668 10.646 1.00 2.40 H new ATOM 0 HA VAL A 47 -8.546 -2.389 9.042 1.00 42.22 H new ATOM 0 HB VAL A 47 -7.051 0.233 9.457 1.00 73.11 H new ATOM 0 HG11 VAL A 47 -8.983 1.306 8.377 1.00 25.53 H new ATOM 0 HG12 VAL A 47 -8.132 0.205 7.267 1.00 25.53 H new ATOM 0 HG13 VAL A 47 -9.666 -0.298 8.015 1.00 25.53 H new ATOM 0 HG21 VAL A 47 -9.014 0.851 10.805 1.00 24.20 H new ATOM 0 HG22 VAL A 47 -9.698 -0.772 10.545 1.00 24.20 H new ATOM 0 HG23 VAL A 47 -8.185 -0.580 11.462 1.00 24.20 H new ATOM 673 N THR A 48 -7.271 -2.936 6.956 1.00 23.40 N ATOM 674 CA THR A 48 -6.673 -3.151 5.645 1.00 42.41 C ATOM 675 C THR A 48 -7.005 -2.006 4.694 1.00 71.52 C ATOM 676 O THR A 48 -6.148 -1.540 3.945 1.00 54.11 O ATOM 677 CB THR A 48 -7.149 -4.475 5.020 1.00 34.21 C ATOM 678 OG1 THR A 48 -6.586 -4.631 3.713 1.00 55.34 O ATOM 679 CG2 THR A 48 -8.666 -4.519 4.933 1.00 5.20 C ATOM 0 H THR A 48 -7.966 -3.634 7.222 1.00 23.40 H new ATOM 0 HA THR A 48 -5.594 -3.195 5.794 1.00 42.41 H new ATOM 0 HB THR A 48 -6.814 -5.292 5.659 1.00 34.21 H new ATOM 0 HG1 THR A 48 -6.893 -5.476 3.323 1.00 55.34 H new ATOM 0 HG21 THR A 48 -8.978 -5.464 4.488 1.00 5.20 H new ATOM 0 HG22 THR A 48 -9.090 -4.431 5.933 1.00 5.20 H new ATOM 0 HG23 THR A 48 -9.019 -3.693 4.315 1.00 5.20 H new ATOM 687 N SER A 49 -8.256 -1.556 4.731 1.00 53.13 N ATOM 688 CA SER A 49 -8.702 -0.467 3.871 1.00 31.13 C ATOM 689 C SER A 49 -9.566 0.521 4.648 1.00 30.01 C ATOM 690 O SER A 49 -10.317 0.134 5.544 1.00 11.40 O ATOM 691 CB SER A 49 -9.486 -1.020 2.679 1.00 3.33 C ATOM 692 OG SER A 49 -8.614 -1.417 1.635 1.00 13.24 O ATOM 0 H SER A 49 -8.978 -1.929 5.347 1.00 53.13 H new ATOM 0 HA SER A 49 -7.820 0.059 3.505 1.00 31.13 H new ATOM 0 HB2 SER A 49 -10.087 -1.871 2.998 1.00 3.33 H new ATOM 0 HB3 SER A 49 -10.177 -0.262 2.311 1.00 3.33 H new ATOM 0 HG SER A 49 -9.139 -1.768 0.886 1.00 13.24 H new ATOM 698 N ALA A 50 -9.455 1.798 4.299 1.00 0.43 N ATOM 699 CA ALA A 50 -10.227 2.842 4.961 1.00 12.13 C ATOM 700 C ALA A 50 -10.758 3.856 3.953 1.00 33.13 C ATOM 701 O ALA A 50 -10.345 3.865 2.793 1.00 43.25 O ATOM 702 CB ALA A 50 -9.377 3.537 6.015 1.00 44.24 C ATOM 0 H ALA A 50 -8.837 2.135 3.561 1.00 0.43 H new ATOM 0 HA ALA A 50 -11.082 2.374 5.449 1.00 12.13 H new ATOM 0 HB1 ALA A 50 -9.965 4.315 6.502 1.00 44.24 H new ATOM 0 HB2 ALA A 50 -9.052 2.809 6.758 1.00 44.24 H new ATOM 0 HB3 ALA A 50 -8.504 3.986 5.541 1.00 44.24 H new ATOM 708 N TRP A 51 -11.674 4.706 4.403 1.00 34.14 N ATOM 709 CA TRP A 51 -12.261 5.723 3.539 1.00 65.34 C ATOM 710 C TRP A 51 -12.733 6.922 4.354 1.00 50.33 C ATOM 711 O TRP A 51 -13.261 6.768 5.455 1.00 55.23 O ATOM 712 CB TRP A 51 -13.432 5.136 2.749 1.00 44.00 C ATOM 713 CG TRP A 51 -14.415 4.396 3.605 1.00 1.12 C ATOM 714 CD1 TRP A 51 -15.281 4.936 4.512 1.00 41.12 C ATOM 715 CD2 TRP A 51 -14.631 2.981 3.635 1.00 2.54 C ATOM 716 NE1 TRP A 51 -16.022 3.942 5.104 1.00 64.32 N ATOM 717 CE2 TRP A 51 -15.643 2.734 4.582 1.00 31.22 C ATOM 718 CE3 TRP A 51 -14.069 1.899 2.951 1.00 64.00 C ATOM 719 CZ2 TRP A 51 -16.102 1.450 4.863 1.00 70.33 C ATOM 720 CZ3 TRP A 51 -14.526 0.625 3.231 1.00 71.14 C ATOM 721 CH2 TRP A 51 -15.534 0.409 4.179 1.00 62.00 C ATOM 0 H TRP A 51 -12.026 4.711 5.360 1.00 34.14 H new ATOM 0 HA TRP A 51 -11.494 6.060 2.842 1.00 65.34 H new ATOM 0 HB2 TRP A 51 -13.949 5.941 2.228 1.00 44.00 H new ATOM 0 HB3 TRP A 51 -13.044 4.460 1.987 1.00 44.00 H new ATOM 0 HD1 TRP A 51 -15.370 5.990 4.732 1.00 41.12 H new ATOM 0 HE1 TRP A 51 -16.738 4.081 5.817 1.00 64.32 H new ATOM 0 HE3 TRP A 51 -13.292 2.056 2.217 1.00 64.00 H new ATOM 0 HZ2 TRP A 51 -16.878 1.281 5.594 1.00 70.33 H new ATOM 0 HZ3 TRP A 51 -14.098 -0.219 2.710 1.00 71.14 H new ATOM 0 HH2 TRP A 51 -15.870 -0.599 4.374 1.00 62.00 H new ATOM 732 N ASP A 52 -12.538 8.117 3.805 1.00 71.33 N ATOM 733 CA ASP A 52 -12.945 9.343 4.482 1.00 42.45 C ATOM 734 C ASP A 52 -12.156 9.539 5.773 1.00 50.03 C ATOM 735 O ASP A 52 -12.516 10.363 6.612 1.00 61.44 O ATOM 736 CB ASP A 52 -14.444 9.311 4.785 1.00 73.02 C ATOM 737 CG ASP A 52 -15.124 10.631 4.478 1.00 30.03 C ATOM 738 OD1 ASP A 52 -14.927 11.154 3.362 1.00 4.42 O ATOM 739 OD2 ASP A 52 -15.854 11.141 5.355 1.00 32.25 O ATOM 0 H ASP A 52 -12.101 8.262 2.895 1.00 71.33 H new ATOM 0 HA ASP A 52 -12.735 10.182 3.818 1.00 42.45 H new ATOM 0 HB2 ASP A 52 -14.913 8.519 4.201 1.00 73.02 H new ATOM 0 HB3 ASP A 52 -14.594 9.064 5.836 1.00 73.02 H new ATOM 744 N ALA A 53 -11.080 8.775 5.924 1.00 71.41 N ATOM 745 CA ALA A 53 -10.240 8.865 7.113 1.00 12.44 C ATOM 746 C ALA A 53 -8.988 8.006 6.967 1.00 62.11 C ATOM 747 O ALA A 53 -9.055 6.777 7.024 1.00 0.31 O ATOM 748 CB ALA A 53 -11.027 8.449 8.347 1.00 75.35 C ATOM 0 H ALA A 53 -10.769 8.087 5.239 1.00 71.41 H new ATOM 0 HA ALA A 53 -9.926 9.902 7.228 1.00 12.44 H new ATOM 0 HB1 ALA A 53 -10.388 8.521 9.227 1.00 75.35 H new ATOM 0 HB2 ALA A 53 -11.888 9.107 8.469 1.00 75.35 H new ATOM 0 HB3 ALA A 53 -11.370 7.421 8.230 1.00 75.35 H new ATOM 754 N THR A 54 -7.847 8.660 6.778 1.00 12.44 N ATOM 755 CA THR A 54 -6.580 7.956 6.621 1.00 21.30 C ATOM 756 C THR A 54 -6.224 7.177 7.883 1.00 41.22 C ATOM 757 O THR A 54 -5.606 7.715 8.803 1.00 15.12 O ATOM 758 CB THR A 54 -5.433 8.929 6.292 1.00 44.05 C ATOM 759 OG1 THR A 54 -5.689 9.584 5.044 1.00 51.05 O ATOM 760 CG2 THR A 54 -4.102 8.196 6.222 1.00 22.24 C ATOM 0 H THR A 54 -7.774 9.676 6.730 1.00 12.44 H new ATOM 0 HA THR A 54 -6.706 7.261 5.791 1.00 21.30 H new ATOM 0 HB THR A 54 -5.378 9.672 7.088 1.00 44.05 H new ATOM 0 HG1 THR A 54 -4.956 10.202 4.843 1.00 51.05 H new ATOM 0 HG21 THR A 54 -3.308 8.905 5.988 1.00 22.24 H new ATOM 0 HG22 THR A 54 -3.896 7.724 7.183 1.00 22.24 H new ATOM 0 HG23 THR A 54 -4.147 7.433 5.445 1.00 22.24 H new ATOM 768 N VAL A 55 -6.617 5.908 7.921 1.00 50.40 N ATOM 769 CA VAL A 55 -6.337 5.055 9.070 1.00 4.14 C ATOM 770 C VAL A 55 -4.921 4.494 9.006 1.00 4.13 C ATOM 771 O VAL A 55 -4.601 3.682 8.136 1.00 23.42 O ATOM 772 CB VAL A 55 -7.338 3.887 9.157 1.00 21.20 C ATOM 773 CG1 VAL A 55 -7.045 3.024 10.375 1.00 61.02 C ATOM 774 CG2 VAL A 55 -8.766 4.410 9.194 1.00 71.14 C ATOM 0 H VAL A 55 -7.130 5.448 7.169 1.00 50.40 H new ATOM 0 HA VAL A 55 -6.437 5.677 9.959 1.00 4.14 H new ATOM 0 HB VAL A 55 -7.226 3.268 8.267 1.00 21.20 H new ATOM 0 HG11 VAL A 55 -7.762 2.204 10.421 1.00 61.02 H new ATOM 0 HG12 VAL A 55 -6.035 2.620 10.300 1.00 61.02 H new ATOM 0 HG13 VAL A 55 -7.128 3.629 11.278 1.00 61.02 H new ATOM 0 HG21 VAL A 55 -9.459 3.571 9.255 1.00 71.14 H new ATOM 0 HG22 VAL A 55 -8.896 5.052 10.065 1.00 71.14 H new ATOM 0 HG23 VAL A 55 -8.968 4.982 8.288 1.00 71.14 H new ATOM 784 N THR A 56 -4.075 4.930 9.933 1.00 42.41 N ATOM 785 CA THR A 56 -2.692 4.473 9.981 1.00 12.00 C ATOM 786 C THR A 56 -2.482 3.481 11.120 1.00 53.43 C ATOM 787 O THR A 56 -3.371 3.269 11.942 1.00 71.12 O ATOM 788 CB THR A 56 -1.716 5.651 10.156 1.00 43.30 C ATOM 789 OG1 THR A 56 -0.367 5.196 10.004 1.00 62.13 O ATOM 790 CG2 THR A 56 -1.888 6.300 11.521 1.00 30.23 C ATOM 0 H THR A 56 -4.323 5.600 10.661 1.00 42.41 H new ATOM 0 HA THR A 56 -2.488 3.981 9.030 1.00 12.00 H new ATOM 0 HB THR A 56 -1.937 6.394 9.389 1.00 43.30 H new ATOM 0 HG1 THR A 56 0.247 5.951 10.115 1.00 62.13 H new ATOM 0 HG21 THR A 56 -1.188 7.129 11.620 1.00 30.23 H new ATOM 0 HG22 THR A 56 -2.908 6.672 11.621 1.00 30.23 H new ATOM 0 HG23 THR A 56 -1.692 5.564 12.301 1.00 30.23 H new ATOM 798 N ASN A 57 -1.298 2.877 11.161 1.00 70.32 N ATOM 799 CA ASN A 57 -0.971 1.907 12.200 1.00 62.24 C ATOM 800 C ASN A 57 0.416 2.175 12.776 1.00 33.24 C ATOM 801 O ASN A 57 1.251 2.816 12.139 1.00 45.41 O ATOM 802 CB ASN A 57 -1.037 0.485 11.638 1.00 63.23 C ATOM 803 CG ASN A 57 0.262 0.061 10.984 1.00 54.24 C ATOM 804 OD1 ASN A 57 0.776 0.745 10.098 1.00 55.21 O ATOM 805 ND2 ASN A 57 0.801 -1.073 11.418 1.00 2.23 N ATOM 0 H ASN A 57 -0.550 3.042 10.487 1.00 70.32 H new ATOM 0 HA ASN A 57 -1.703 2.008 13.001 1.00 62.24 H new ATOM 0 HB2 ASN A 57 -1.279 -0.210 12.442 1.00 63.23 H new ATOM 0 HB3 ASN A 57 -1.845 0.423 10.909 1.00 63.23 H new ATOM 0 HD21 ASN A 57 1.676 -1.409 11.015 1.00 2.23 H new ATOM 0 HD22 ASN A 57 0.340 -1.608 12.154 1.00 2.23 H new ATOM 812 N SER A 58 0.655 1.677 13.984 1.00 32.32 N ATOM 813 CA SER A 58 1.940 1.864 14.649 1.00 0.04 C ATOM 814 C SER A 58 2.113 0.866 15.789 1.00 61.41 C ATOM 815 O SER A 58 1.812 1.168 16.944 1.00 11.43 O ATOM 816 CB SER A 58 2.059 3.292 15.182 1.00 63.43 C ATOM 817 OG SER A 58 2.562 4.168 14.188 1.00 73.34 O ATOM 0 H SER A 58 -0.024 1.140 14.523 1.00 32.32 H new ATOM 0 HA SER A 58 2.729 1.691 13.917 1.00 0.04 H new ATOM 0 HB2 SER A 58 1.082 3.641 15.518 1.00 63.43 H new ATOM 0 HB3 SER A 58 2.718 3.306 16.050 1.00 63.43 H new ATOM 0 HG SER A 58 2.241 3.882 13.307 1.00 73.34 H new ATOM 823 N GLY A 59 2.599 -0.326 15.457 1.00 31.14 N ATOM 824 CA GLY A 59 2.803 -1.352 16.464 1.00 51.32 C ATOM 825 C GLY A 59 1.500 -1.950 16.954 1.00 4.13 C ATOM 826 O GLY A 59 0.992 -2.910 16.373 1.00 44.42 O ATOM 0 H GLY A 59 2.855 -0.600 14.508 1.00 31.14 H new ATOM 0 HA2 GLY A 59 3.429 -2.143 16.051 1.00 51.32 H new ATOM 0 HA3 GLY A 59 3.344 -0.925 17.309 1.00 51.32 H new ATOM 830 N ASP A 60 0.958 -1.385 18.027 1.00 31.31 N ATOM 831 CA ASP A 60 -0.294 -1.869 18.596 1.00 72.31 C ATOM 832 C ASP A 60 -1.305 -0.735 18.730 1.00 11.12 C ATOM 833 O ASP A 60 -2.301 -0.858 19.444 1.00 43.31 O ATOM 834 CB ASP A 60 -0.045 -2.510 19.963 1.00 14.50 C ATOM 835 CG ASP A 60 0.500 -1.521 20.975 1.00 72.12 C ATOM 836 OD1 ASP A 60 1.642 -1.050 20.788 1.00 21.41 O ATOM 837 OD2 ASP A 60 -0.215 -1.218 21.953 1.00 52.24 O ATOM 0 H ASP A 60 1.366 -0.591 18.520 1.00 31.31 H new ATOM 0 HA ASP A 60 -0.704 -2.620 17.920 1.00 72.31 H new ATOM 0 HB2 ASP A 60 -0.977 -2.933 20.338 1.00 14.50 H new ATOM 0 HB3 ASP A 60 0.658 -3.336 19.851 1.00 14.50 H new ATOM 842 N HIS A 61 -1.042 0.370 18.040 1.00 4.22 N ATOM 843 CA HIS A 61 -1.929 1.527 18.081 1.00 72.41 C ATOM 844 C HIS A 61 -2.352 1.938 16.674 1.00 43.20 C ATOM 845 O HIS A 61 -1.589 1.795 15.720 1.00 1.32 O ATOM 846 CB HIS A 61 -1.240 2.699 18.782 1.00 2.41 C ATOM 847 CG HIS A 61 -2.054 3.956 18.786 1.00 54.20 C ATOM 848 ND1 HIS A 61 -2.925 4.285 19.803 1.00 20.14 N ATOM 849 CD2 HIS A 61 -2.124 4.969 17.891 1.00 11.43 C ATOM 850 CE1 HIS A 61 -3.497 5.444 19.532 1.00 4.03 C ATOM 851 NE2 HIS A 61 -3.028 5.881 18.377 1.00 62.02 N ATOM 0 H HIS A 61 -0.222 0.489 17.446 1.00 4.22 H new ATOM 0 HA HIS A 61 -2.821 1.250 18.643 1.00 72.41 H new ATOM 0 HB2 HIS A 61 -1.018 2.416 19.811 1.00 2.41 H new ATOM 0 HB3 HIS A 61 -0.286 2.895 18.292 1.00 2.41 H new ATOM 0 HD1 HIS A 61 -3.100 3.721 20.635 1.00 20.14 H new ATOM 0 HD2 HIS A 61 -1.571 5.046 16.966 1.00 11.43 H new ATOM 0 HE1 HIS A 61 -4.225 5.949 20.150 1.00 4.03 H new ATOM 859 N TRP A 62 -3.573 2.447 16.555 1.00 10.31 N ATOM 860 CA TRP A 62 -4.098 2.878 15.264 1.00 24.35 C ATOM 861 C TRP A 62 -4.747 4.253 15.371 1.00 75.12 C ATOM 862 O TRP A 62 -5.408 4.564 16.363 1.00 74.35 O ATOM 863 CB TRP A 62 -5.113 1.862 14.738 1.00 32.04 C ATOM 864 CG TRP A 62 -4.483 0.592 14.247 1.00 51.34 C ATOM 865 CD1 TRP A 62 -3.919 -0.390 15.009 1.00 11.12 C ATOM 866 CD2 TRP A 62 -4.352 0.172 12.885 1.00 62.22 C ATOM 867 NE1 TRP A 62 -3.445 -1.396 14.202 1.00 31.43 N ATOM 868 CE2 TRP A 62 -3.699 -1.076 12.895 1.00 42.21 C ATOM 869 CE3 TRP A 62 -4.723 0.728 11.658 1.00 24.31 C ATOM 870 CZ2 TRP A 62 -3.411 -1.775 11.726 1.00 51.42 C ATOM 871 CZ3 TRP A 62 -4.437 0.033 10.498 1.00 53.40 C ATOM 872 CH2 TRP A 62 -3.786 -1.208 10.539 1.00 44.33 C ATOM 0 H TRP A 62 -4.218 2.571 17.336 1.00 10.31 H new ATOM 0 HA TRP A 62 -3.264 2.944 14.565 1.00 24.35 H new ATOM 0 HB2 TRP A 62 -5.823 1.624 15.531 1.00 32.04 H new ATOM 0 HB3 TRP A 62 -5.682 2.315 13.926 1.00 32.04 H new ATOM 0 HD1 TRP A 62 -3.855 -0.378 16.087 1.00 11.12 H new ATOM 0 HE1 TRP A 62 -2.979 -2.244 14.524 1.00 31.43 H new ATOM 0 HE3 TRP A 62 -5.224 1.684 11.617 1.00 24.31 H new ATOM 0 HZ2 TRP A 62 -2.909 -2.731 11.755 1.00 51.42 H new ATOM 0 HZ3 TRP A 62 -4.720 0.453 9.544 1.00 53.40 H new ATOM 0 HH2 TRP A 62 -3.576 -1.727 9.615 1.00 44.33 H new ATOM 883 N THR A 63 -4.556 5.076 14.345 1.00 2.22 N ATOM 884 CA THR A 63 -5.122 6.418 14.325 1.00 1.30 C ATOM 885 C THR A 63 -5.833 6.696 13.005 1.00 54.34 C ATOM 886 O THR A 63 -5.442 6.179 11.958 1.00 64.23 O ATOM 887 CB THR A 63 -4.036 7.489 14.545 1.00 3.30 C ATOM 888 OG1 THR A 63 -3.310 7.210 15.747 1.00 22.03 O ATOM 889 CG2 THR A 63 -4.654 8.877 14.630 1.00 32.42 C ATOM 0 H THR A 63 -4.013 4.836 13.516 1.00 2.22 H new ATOM 0 HA THR A 63 -5.843 6.469 15.141 1.00 1.30 H new ATOM 0 HB THR A 63 -3.354 7.464 13.695 1.00 3.30 H new ATOM 0 HG1 THR A 63 -3.483 7.916 16.405 1.00 22.03 H new ATOM 0 HG21 THR A 63 -3.868 9.616 14.785 1.00 32.42 H new ATOM 0 HG22 THR A 63 -5.182 9.098 13.702 1.00 32.42 H new ATOM 0 HG23 THR A 63 -5.356 8.913 15.463 1.00 32.42 H new ATOM 897 N ALA A 64 -6.877 7.515 13.063 1.00 4.44 N ATOM 898 CA ALA A 64 -7.642 7.864 11.871 1.00 12.23 C ATOM 899 C ALA A 64 -7.781 9.376 11.730 1.00 62.22 C ATOM 900 O ALA A 64 -8.385 10.035 12.577 1.00 2.04 O ATOM 901 CB ALA A 64 -9.013 7.207 11.912 1.00 12.21 C ATOM 0 H ALA A 64 -7.213 7.950 13.922 1.00 4.44 H new ATOM 0 HA ALA A 64 -7.100 7.493 11.001 1.00 12.23 H new ATOM 0 HB1 ALA A 64 -9.573 7.476 11.016 1.00 12.21 H new ATOM 0 HB2 ALA A 64 -8.896 6.124 11.955 1.00 12.21 H new ATOM 0 HB3 ALA A 64 -9.554 7.549 12.794 1.00 12.21 H new ATOM 907 N LYS A 65 -7.218 9.920 10.657 1.00 42.31 N ATOM 908 CA LYS A 65 -7.280 11.355 10.406 1.00 2.43 C ATOM 909 C LYS A 65 -7.533 11.638 8.928 1.00 14.52 C ATOM 910 O LYS A 65 -7.011 10.944 8.056 1.00 42.23 O ATOM 911 CB LYS A 65 -5.979 12.029 10.849 1.00 25.13 C ATOM 912 CG LYS A 65 -4.767 11.116 10.777 1.00 40.11 C ATOM 913 CD LYS A 65 -4.467 10.700 9.347 1.00 24.14 C ATOM 914 CE LYS A 65 -3.070 10.114 9.218 1.00 75.50 C ATOM 915 NZ LYS A 65 -2.987 8.744 9.797 1.00 51.52 N ATOM 0 H LYS A 65 -6.714 9.389 9.947 1.00 42.31 H new ATOM 0 HA LYS A 65 -8.109 11.764 10.984 1.00 2.43 H new ATOM 0 HB2 LYS A 65 -5.802 12.904 10.224 1.00 25.13 H new ATOM 0 HB3 LYS A 65 -6.094 12.386 11.872 1.00 25.13 H new ATOM 0 HG2 LYS A 65 -3.901 11.626 11.198 1.00 40.11 H new ATOM 0 HG3 LYS A 65 -4.942 10.229 11.386 1.00 40.11 H new ATOM 0 HD2 LYS A 65 -5.202 9.965 9.019 1.00 24.14 H new ATOM 0 HD3 LYS A 65 -4.563 11.563 8.688 1.00 24.14 H new ATOM 0 HE2 LYS A 65 -2.786 10.082 8.166 1.00 75.50 H new ATOM 0 HE3 LYS A 65 -2.355 10.765 9.722 1.00 75.50 H new ATOM 0 HZ1 LYS A 65 -2.023 8.373 9.674 1.00 51.52 H new ATOM 0 HZ2 LYS A 65 -3.217 8.781 10.811 1.00 51.52 H new ATOM 0 HZ3 LYS A 65 -3.663 8.120 9.311 1.00 51.52 H new ATOM 929 N ASN A 66 -8.335 12.662 8.654 1.00 22.15 N ATOM 930 CA ASN A 66 -8.656 13.036 7.281 1.00 33.41 C ATOM 931 C ASN A 66 -8.228 14.472 6.995 1.00 24.41 C ATOM 932 O ASN A 66 -7.787 14.793 5.892 1.00 32.15 O ATOM 933 CB ASN A 66 -10.155 12.877 7.024 1.00 20.42 C ATOM 934 CG ASN A 66 -10.449 12.311 5.649 1.00 24.42 C ATOM 935 OD1 ASN A 66 -9.641 11.575 5.083 1.00 52.22 O ATOM 936 ND2 ASN A 66 -11.612 12.650 5.105 1.00 44.03 N ATOM 0 H ASN A 66 -8.774 13.247 9.364 1.00 22.15 H new ATOM 0 HA ASN A 66 -8.108 12.372 6.612 1.00 33.41 H new ATOM 0 HB2 ASN A 66 -10.583 12.222 7.783 1.00 20.42 H new ATOM 0 HB3 ASN A 66 -10.643 13.846 7.127 1.00 20.42 H new ATOM 0 HD21 ASN A 66 -11.865 12.297 4.182 1.00 44.03 H new ATOM 0 HD22 ASN A 66 -12.252 13.263 5.610 1.00 44.03 H new ATOM 943 N VAL A 67 -8.362 15.335 7.999 1.00 12.13 N ATOM 944 CA VAL A 67 -7.989 16.736 7.856 1.00 41.04 C ATOM 945 C VAL A 67 -6.548 16.969 8.298 1.00 64.32 C ATOM 946 O VAL A 67 -6.248 17.949 8.978 1.00 55.30 O ATOM 947 CB VAL A 67 -8.920 17.652 8.675 1.00 34.15 C ATOM 948 CG1 VAL A 67 -10.299 17.716 8.038 1.00 63.12 C ATOM 949 CG2 VAL A 67 -9.009 17.167 10.114 1.00 63.02 C ATOM 0 H VAL A 67 -8.726 15.087 8.919 1.00 12.13 H new ATOM 0 HA VAL A 67 -8.087 16.983 6.799 1.00 41.04 H new ATOM 0 HB VAL A 67 -8.502 18.659 8.680 1.00 34.15 H new ATOM 0 HG11 VAL A 67 -10.943 18.367 8.629 1.00 63.12 H new ATOM 0 HG12 VAL A 67 -10.214 18.112 7.026 1.00 63.12 H new ATOM 0 HG13 VAL A 67 -10.730 16.715 8.002 1.00 63.12 H new ATOM 0 HG21 VAL A 67 -9.670 17.824 10.679 1.00 63.02 H new ATOM 0 HG22 VAL A 67 -9.405 16.152 10.132 1.00 63.02 H new ATOM 0 HG23 VAL A 67 -8.016 17.177 10.563 1.00 63.02 H new ATOM 959 N GLY A 68 -5.661 16.060 7.905 1.00 71.13 N ATOM 960 CA GLY A 68 -4.261 16.185 8.269 1.00 73.54 C ATOM 961 C GLY A 68 -3.524 17.188 7.406 1.00 51.31 C ATOM 962 O GLY A 68 -2.318 17.381 7.558 1.00 64.14 O ATOM 0 H GLY A 68 -5.886 15.240 7.342 1.00 71.13 H new ATOM 0 HA2 GLY A 68 -4.186 16.486 9.314 1.00 73.54 H new ATOM 0 HA3 GLY A 68 -3.778 15.212 8.182 1.00 73.54 H new ATOM 966 N TRP A 69 -4.249 17.827 6.494 1.00 75.43 N ATOM 967 CA TRP A 69 -3.655 18.814 5.601 1.00 4.33 C ATOM 968 C TRP A 69 -4.239 20.200 5.856 1.00 73.34 C ATOM 969 O TRP A 69 -3.546 21.207 5.726 1.00 45.54 O ATOM 970 CB TRP A 69 -3.882 18.414 4.142 1.00 33.02 C ATOM 971 CG TRP A 69 -5.121 17.597 3.935 1.00 45.44 C ATOM 972 CD1 TRP A 69 -5.248 16.246 4.086 1.00 75.03 C ATOM 973 CD2 TRP A 69 -6.409 18.082 3.538 1.00 21.23 C ATOM 974 NE1 TRP A 69 -6.537 15.861 3.807 1.00 51.20 N ATOM 975 CE2 TRP A 69 -7.269 16.968 3.469 1.00 11.33 C ATOM 976 CE3 TRP A 69 -6.920 19.347 3.237 1.00 31.44 C ATOM 977 CZ2 TRP A 69 -8.610 17.084 3.110 1.00 54.43 C ATOM 978 CZ3 TRP A 69 -8.250 19.460 2.880 1.00 40.12 C ATOM 979 CH2 TRP A 69 -9.083 18.335 2.819 1.00 32.21 C ATOM 0 H TRP A 69 -5.248 17.679 6.354 1.00 75.43 H new ATOM 0 HA TRP A 69 -2.584 18.848 5.799 1.00 4.33 H new ATOM 0 HB2 TRP A 69 -3.943 19.315 3.531 1.00 33.02 H new ATOM 0 HB3 TRP A 69 -3.020 17.848 3.790 1.00 33.02 H new ATOM 0 HD1 TRP A 69 -4.452 15.578 4.381 1.00 75.03 H new ATOM 0 HE1 TRP A 69 -6.891 14.905 3.845 1.00 51.20 H new ATOM 0 HE3 TRP A 69 -6.287 20.221 3.283 1.00 31.44 H new ATOM 0 HZ2 TRP A 69 -9.253 16.218 3.063 1.00 54.43 H new ATOM 0 HZ3 TRP A 69 -8.655 20.433 2.644 1.00 40.12 H new ATOM 0 HH2 TRP A 69 -10.118 18.457 2.537 1.00 32.21 H new ATOM 990 N ASN A 70 -5.516 20.241 6.220 1.00 63.43 N ATOM 991 CA ASN A 70 -6.192 21.505 6.494 1.00 32.01 C ATOM 992 C ASN A 70 -6.507 21.642 7.980 1.00 31.21 C ATOM 993 O ASN A 70 -5.904 22.454 8.681 1.00 31.25 O ATOM 994 CB ASN A 70 -7.481 21.605 5.677 1.00 11.54 C ATOM 995 CG ASN A 70 -7.362 22.587 4.527 1.00 62.23 C ATOM 996 OD1 ASN A 70 -7.451 22.208 3.359 1.00 73.03 O ATOM 997 ND2 ASN A 70 -7.161 23.858 4.855 1.00 71.12 N ATOM 0 H ASN A 70 -6.104 19.415 6.332 1.00 63.43 H new ATOM 0 HA ASN A 70 -5.523 22.316 6.206 1.00 32.01 H new ATOM 0 HB2 ASN A 70 -7.737 20.621 5.285 1.00 11.54 H new ATOM 0 HB3 ASN A 70 -8.299 21.911 6.329 1.00 11.54 H new ATOM 0 HD21 ASN A 70 -7.074 24.565 4.125 1.00 71.12 H new ATOM 0 HD22 ASN A 70 -7.094 24.127 5.837 1.00 71.12 H new ATOM 1004 N GLY A 71 -7.457 20.842 8.455 1.00 32.22 N ATOM 1005 CA GLY A 71 -7.836 20.889 9.855 1.00 71.41 C ATOM 1006 C GLY A 71 -8.968 21.862 10.117 1.00 52.34 C ATOM 1007 O GLY A 71 -9.849 21.597 10.935 1.00 5.24 O ATOM 0 H GLY A 71 -7.971 20.162 7.895 1.00 32.22 H new ATOM 0 HA2 GLY A 71 -8.135 19.893 10.181 1.00 71.41 H new ATOM 0 HA3 GLY A 71 -6.970 21.174 10.453 1.00 71.41 H new ATOM 1011 N THR A 72 -8.944 22.997 9.422 1.00 30.23 N ATOM 1012 CA THR A 72 -9.973 24.014 9.586 1.00 4.13 C ATOM 1013 C THR A 72 -11.367 23.419 9.420 1.00 72.51 C ATOM 1014 O THR A 72 -11.761 23.028 8.321 1.00 12.24 O ATOM 1015 CB THR A 72 -9.796 25.161 8.573 1.00 51.14 C ATOM 1016 OG1 THR A 72 -10.951 26.007 8.582 1.00 2.10 O ATOM 1017 CG2 THR A 72 -9.571 24.616 7.171 1.00 12.13 C ATOM 0 H THR A 72 -8.222 23.233 8.741 1.00 30.23 H new ATOM 0 HA THR A 72 -9.867 24.409 10.596 1.00 4.13 H new ATOM 0 HB THR A 72 -8.920 25.741 8.865 1.00 51.14 H new ATOM 0 HG1 THR A 72 -10.829 26.734 7.936 1.00 2.10 H new ATOM 0 HG21 THR A 72 -9.449 25.445 6.474 1.00 12.13 H new ATOM 0 HG22 THR A 72 -8.673 23.998 7.161 1.00 12.13 H new ATOM 0 HG23 THR A 72 -10.429 24.014 6.872 1.00 12.13 H new ATOM 1025 N LEU A 73 -12.110 23.351 10.520 1.00 41.42 N ATOM 1026 CA LEU A 73 -13.462 22.803 10.497 1.00 63.10 C ATOM 1027 C LEU A 73 -14.467 23.808 11.050 1.00 74.31 C ATOM 1028 O LEU A 73 -14.165 24.554 11.981 1.00 33.32 O ATOM 1029 CB LEU A 73 -13.522 21.506 11.307 1.00 12.51 C ATOM 1030 CG LEU A 73 -14.579 20.490 10.871 1.00 53.34 C ATOM 1031 CD1 LEU A 73 -14.275 19.971 9.474 1.00 61.41 C ATOM 1032 CD2 LEU A 73 -14.655 19.341 11.865 1.00 40.00 C ATOM 0 H LEU A 73 -11.799 23.668 11.438 1.00 41.42 H new ATOM 0 HA LEU A 73 -13.723 22.589 9.460 1.00 63.10 H new ATOM 0 HB2 LEU A 73 -12.544 21.026 11.260 1.00 12.51 H new ATOM 0 HB3 LEU A 73 -13.701 21.761 12.351 1.00 12.51 H new ATOM 0 HG LEU A 73 -15.548 20.988 10.848 1.00 53.34 H new ATOM 0 HD11 LEU A 73 -15.037 19.249 9.180 1.00 61.41 H new ATOM 0 HD12 LEU A 73 -14.272 20.803 8.770 1.00 61.41 H new ATOM 0 HD13 LEU A 73 -13.298 19.488 9.470 1.00 61.41 H new ATOM 0 HD21 LEU A 73 -15.412 18.628 11.539 1.00 40.00 H new ATOM 0 HD22 LEU A 73 -13.687 18.843 11.920 1.00 40.00 H new ATOM 0 HD23 LEU A 73 -14.921 19.728 12.849 1.00 40.00 H new ATOM 1044 N ALA A 74 -15.663 23.820 10.472 1.00 63.21 N ATOM 1045 CA ALA A 74 -16.715 24.730 10.911 1.00 53.43 C ATOM 1046 C ALA A 74 -16.952 24.612 12.412 1.00 74.23 C ATOM 1047 O ALA A 74 -16.587 23.622 13.048 1.00 42.31 O ATOM 1048 CB ALA A 74 -18.002 24.456 10.149 1.00 13.04 C ATOM 0 H ALA A 74 -15.928 23.210 9.699 1.00 63.21 H new ATOM 0 HA ALA A 74 -16.391 25.749 10.700 1.00 53.43 H new ATOM 0 HB1 ALA A 74 -18.778 25.143 10.487 1.00 13.04 H new ATOM 0 HB2 ALA A 74 -17.831 24.599 9.082 1.00 13.04 H new ATOM 0 HB3 ALA A 74 -18.321 23.430 10.331 1.00 13.04 H new ATOM 1054 N PRO A 75 -17.576 25.645 12.997 1.00 3.30 N ATOM 1055 CA PRO A 75 -17.876 25.681 14.432 1.00 13.40 C ATOM 1056 C PRO A 75 -18.957 24.679 14.823 1.00 74.14 C ATOM 1057 O PRO A 75 -19.220 24.466 16.006 1.00 41.25 O ATOM 1058 CB PRO A 75 -18.367 27.113 14.656 1.00 42.03 C ATOM 1059 CG PRO A 75 -18.894 27.545 13.331 1.00 44.21 C ATOM 1060 CD PRO A 75 -18.039 26.858 12.302 1.00 10.40 C ATOM 0 HA PRO A 75 -17.009 25.414 15.037 1.00 13.40 H new ATOM 0 HB2 PRO A 75 -19.142 27.150 15.422 1.00 42.03 H new ATOM 0 HB3 PRO A 75 -17.557 27.761 14.990 1.00 42.03 H new ATOM 0 HG2 PRO A 75 -19.941 27.266 13.218 1.00 44.21 H new ATOM 0 HG3 PRO A 75 -18.840 28.628 13.224 1.00 44.21 H new ATOM 0 HD2 PRO A 75 -18.608 26.614 11.405 1.00 10.40 H new ATOM 0 HD3 PRO A 75 -17.204 27.485 11.990 1.00 10.40 H new ATOM 1068 N GLY A 76 -19.580 24.066 13.821 1.00 43.34 N ATOM 1069 CA GLY A 76 -20.625 23.095 14.082 1.00 35.45 C ATOM 1070 C GLY A 76 -20.906 22.208 12.885 1.00 13.41 C ATOM 1071 O GLY A 76 -21.352 22.685 11.842 1.00 63.22 O ATOM 0 H GLY A 76 -19.379 24.225 12.834 1.00 43.34 H new ATOM 0 HA2 GLY A 76 -20.336 22.474 14.930 1.00 35.45 H new ATOM 0 HA3 GLY A 76 -21.539 23.617 14.366 1.00 35.45 H new ATOM 1075 N ALA A 77 -20.640 20.914 13.032 1.00 62.41 N ATOM 1076 CA ALA A 77 -20.867 19.960 11.955 1.00 2.24 C ATOM 1077 C ALA A 77 -20.539 18.539 12.400 1.00 55.44 C ATOM 1078 O ALA A 77 -20.007 18.328 13.491 1.00 63.00 O ATOM 1079 CB ALA A 77 -20.040 20.337 10.734 1.00 23.31 C ATOM 0 H ALA A 77 -20.267 20.503 13.888 1.00 62.41 H new ATOM 0 HA ALA A 77 -21.924 19.994 11.690 1.00 2.24 H new ATOM 0 HB1 ALA A 77 -20.219 19.616 9.937 1.00 23.31 H new ATOM 0 HB2 ALA A 77 -20.326 21.332 10.394 1.00 23.31 H new ATOM 0 HB3 ALA A 77 -18.982 20.333 10.996 1.00 23.31 H new ATOM 1085 N SER A 78 -20.858 17.568 11.551 1.00 42.00 N ATOM 1086 CA SER A 78 -20.601 16.166 11.861 1.00 3.10 C ATOM 1087 C SER A 78 -19.833 15.492 10.727 1.00 51.04 C ATOM 1088 O SER A 78 -20.198 15.611 9.558 1.00 12.12 O ATOM 1089 CB SER A 78 -21.916 15.428 12.110 1.00 21.44 C ATOM 1090 OG SER A 78 -22.936 16.323 12.515 1.00 65.14 O ATOM 0 H SER A 78 -21.295 17.726 10.643 1.00 42.00 H new ATOM 0 HA SER A 78 -19.993 16.124 12.765 1.00 3.10 H new ATOM 0 HB2 SER A 78 -22.223 14.910 11.202 1.00 21.44 H new ATOM 0 HB3 SER A 78 -21.770 14.668 12.877 1.00 21.44 H new ATOM 0 HG SER A 78 -23.767 15.826 12.666 1.00 65.14 H new ATOM 1096 N VAL A 79 -18.765 14.785 11.084 1.00 3.14 N ATOM 1097 CA VAL A 79 -17.945 14.090 10.098 1.00 73.23 C ATOM 1098 C VAL A 79 -17.774 12.620 10.465 1.00 15.10 C ATOM 1099 O VAL A 79 -17.091 12.287 11.434 1.00 1.41 O ATOM 1100 CB VAL A 79 -16.555 14.741 9.966 1.00 64.23 C ATOM 1101 CG1 VAL A 79 -15.700 13.976 8.968 1.00 73.31 C ATOM 1102 CG2 VAL A 79 -16.688 16.200 9.559 1.00 41.13 C ATOM 0 H VAL A 79 -18.448 14.678 12.048 1.00 3.14 H new ATOM 0 HA VAL A 79 -18.465 14.165 9.143 1.00 73.23 H new ATOM 0 HB VAL A 79 -16.060 14.702 10.936 1.00 64.23 H new ATOM 0 HG11 VAL A 79 -14.722 14.450 8.888 1.00 73.31 H new ATOM 0 HG12 VAL A 79 -15.578 12.947 9.307 1.00 73.31 H new ATOM 0 HG13 VAL A 79 -16.187 13.981 7.993 1.00 73.31 H new ATOM 0 HG21 VAL A 79 -15.697 16.645 9.470 1.00 41.13 H new ATOM 0 HG22 VAL A 79 -17.202 16.265 8.600 1.00 41.13 H new ATOM 0 HG23 VAL A 79 -17.261 16.738 10.315 1.00 41.13 H new ATOM 1112 N SER A 80 -18.396 11.745 9.683 1.00 2.04 N ATOM 1113 CA SER A 80 -18.316 10.309 9.927 1.00 40.23 C ATOM 1114 C SER A 80 -17.289 9.658 9.003 1.00 64.15 C ATOM 1115 O SER A 80 -17.075 10.110 7.878 1.00 21.31 O ATOM 1116 CB SER A 80 -19.685 9.658 9.725 1.00 71.11 C ATOM 1117 OG SER A 80 -19.991 9.530 8.348 1.00 12.15 O ATOM 0 H SER A 80 -18.961 12.004 8.875 1.00 2.04 H new ATOM 0 HA SER A 80 -17.999 10.158 10.959 1.00 40.23 H new ATOM 0 HB2 SER A 80 -19.697 8.675 10.196 1.00 71.11 H new ATOM 0 HB3 SER A 80 -20.452 10.256 10.217 1.00 71.11 H new ATOM 0 HG SER A 80 -20.870 9.110 8.246 1.00 12.15 H new ATOM 1123 N PHE A 81 -16.657 8.595 9.488 1.00 61.44 N ATOM 1124 CA PHE A 81 -15.652 7.881 8.709 1.00 44.43 C ATOM 1125 C PHE A 81 -15.676 6.389 9.026 1.00 4.03 C ATOM 1126 O PHE A 81 -15.745 5.992 10.188 1.00 32.55 O ATOM 1127 CB PHE A 81 -14.260 8.452 8.988 1.00 64.21 C ATOM 1128 CG PHE A 81 -13.702 8.043 10.321 1.00 35.11 C ATOM 1129 CD1 PHE A 81 -13.976 8.785 11.459 1.00 71.13 C ATOM 1130 CD2 PHE A 81 -12.902 6.917 10.437 1.00 22.41 C ATOM 1131 CE1 PHE A 81 -13.463 8.411 12.686 1.00 61.53 C ATOM 1132 CE2 PHE A 81 -12.387 6.539 11.662 1.00 12.21 C ATOM 1133 CZ PHE A 81 -12.668 7.286 12.789 1.00 11.32 C ATOM 0 H PHE A 81 -16.823 8.209 10.417 1.00 61.44 H new ATOM 0 HA PHE A 81 -15.886 8.013 7.653 1.00 44.43 H new ATOM 0 HB2 PHE A 81 -13.578 8.127 8.202 1.00 64.21 H new ATOM 0 HB3 PHE A 81 -14.306 9.540 8.940 1.00 64.21 H new ATOM 0 HD1 PHE A 81 -14.597 9.665 11.386 1.00 71.13 H new ATOM 0 HD2 PHE A 81 -12.679 6.328 9.560 1.00 22.41 H new ATOM 0 HE1 PHE A 81 -13.684 8.998 13.565 1.00 61.53 H new ATOM 0 HE2 PHE A 81 -11.765 5.660 11.738 1.00 12.21 H new ATOM 0 HZ PHE A 81 -12.268 6.992 13.748 1.00 11.32 H new ATOM 1143 N GLY A 82 -15.619 5.567 7.982 1.00 45.35 N ATOM 1144 CA GLY A 82 -15.636 4.128 8.170 1.00 4.51 C ATOM 1145 C GLY A 82 -14.443 3.447 7.530 1.00 31.33 C ATOM 1146 O GLY A 82 -13.616 4.097 6.891 1.00 51.33 O ATOM 0 H GLY A 82 -15.561 5.872 7.010 1.00 45.35 H new ATOM 0 HA2 GLY A 82 -15.650 3.904 9.237 1.00 4.51 H new ATOM 0 HA3 GLY A 82 -16.554 3.720 7.747 1.00 4.51 H new ATOM 1150 N PHE A 83 -14.352 2.133 7.703 1.00 35.11 N ATOM 1151 CA PHE A 83 -13.249 1.362 7.140 1.00 60.33 C ATOM 1152 C PHE A 83 -13.491 -0.135 7.308 1.00 11.34 C ATOM 1153 O PHE A 83 -14.472 -0.552 7.921 1.00 25.12 O ATOM 1154 CB PHE A 83 -11.931 1.755 7.810 1.00 14.02 C ATOM 1155 CG PHE A 83 -11.927 1.542 9.296 1.00 52.35 C ATOM 1156 CD1 PHE A 83 -11.900 0.262 9.827 1.00 54.34 C ATOM 1157 CD2 PHE A 83 -11.949 2.622 10.164 1.00 74.14 C ATOM 1158 CE1 PHE A 83 -11.896 0.065 11.195 1.00 21.23 C ATOM 1159 CE2 PHE A 83 -11.945 2.430 11.533 1.00 52.12 C ATOM 1160 CZ PHE A 83 -11.918 1.149 12.048 1.00 72.54 C ATOM 0 H PHE A 83 -15.029 1.579 8.228 1.00 35.11 H new ATOM 0 HA PHE A 83 -13.188 1.585 6.075 1.00 60.33 H new ATOM 0 HB2 PHE A 83 -11.121 1.177 7.366 1.00 14.02 H new ATOM 0 HB3 PHE A 83 -11.725 2.805 7.601 1.00 14.02 H new ATOM 0 HD1 PHE A 83 -11.882 -0.591 9.165 1.00 54.34 H new ATOM 0 HD2 PHE A 83 -11.970 3.626 9.766 1.00 74.14 H new ATOM 0 HE1 PHE A 83 -11.876 -0.938 11.596 1.00 21.23 H new ATOM 0 HE2 PHE A 83 -11.963 3.280 12.199 1.00 52.12 H new ATOM 0 HZ PHE A 83 -11.914 0.996 13.117 1.00 72.54 H new ATOM 1170 N ASN A 84 -12.588 -0.940 6.756 1.00 73.41 N ATOM 1171 CA ASN A 84 -12.702 -2.392 6.843 1.00 42.42 C ATOM 1172 C ASN A 84 -11.461 -2.998 7.489 1.00 54.13 C ATOM 1173 O ASN A 84 -10.335 -2.723 7.075 1.00 22.23 O ATOM 1174 CB ASN A 84 -12.911 -2.991 5.451 1.00 10.40 C ATOM 1175 CG ASN A 84 -14.278 -2.666 4.880 1.00 14.32 C ATOM 1176 OD1 ASN A 84 -14.397 -2.235 3.733 1.00 65.34 O ATOM 1177 ND2 ASN A 84 -15.318 -2.872 5.680 1.00 34.24 N ATOM 0 H ASN A 84 -11.769 -0.611 6.244 1.00 73.41 H new ATOM 0 HA ASN A 84 -13.565 -2.627 7.466 1.00 42.42 H new ATOM 0 HB2 ASN A 84 -12.141 -2.615 4.778 1.00 10.40 H new ATOM 0 HB3 ASN A 84 -12.790 -4.073 5.502 1.00 10.40 H new ATOM 0 HD21 ASN A 84 -16.262 -2.672 5.351 1.00 34.24 H new ATOM 0 HD22 ASN A 84 -15.172 -3.231 6.624 1.00 34.24 H new ATOM 1184 N GLY A 85 -11.675 -3.825 8.508 1.00 74.23 N ATOM 1185 CA GLY A 85 -10.564 -4.458 9.196 1.00 43.31 C ATOM 1186 C GLY A 85 -10.782 -5.943 9.405 1.00 43.53 C ATOM 1187 O GLY A 85 -11.918 -6.397 9.548 1.00 42.44 O ATOM 0 H GLY A 85 -12.597 -4.068 8.869 1.00 74.23 H new ATOM 0 HA2 GLY A 85 -9.650 -4.305 8.621 1.00 43.31 H new ATOM 0 HA3 GLY A 85 -10.417 -3.976 10.162 1.00 43.31 H new ATOM 1191 N SER A 86 -9.692 -6.703 9.420 1.00 11.43 N ATOM 1192 CA SER A 86 -9.769 -8.147 9.607 1.00 25.11 C ATOM 1193 C SER A 86 -9.565 -8.517 11.073 1.00 53.25 C ATOM 1194 O SER A 86 -8.461 -8.403 11.605 1.00 42.15 O ATOM 1195 CB SER A 86 -8.725 -8.852 8.740 1.00 53.03 C ATOM 1196 OG SER A 86 -9.298 -9.934 8.029 1.00 25.15 O ATOM 0 H SER A 86 -8.745 -6.343 9.305 1.00 11.43 H new ATOM 0 HA SER A 86 -10.763 -8.475 9.303 1.00 25.11 H new ATOM 0 HB2 SER A 86 -8.291 -8.141 8.037 1.00 53.03 H new ATOM 0 HB3 SER A 86 -7.912 -9.216 9.368 1.00 53.03 H new ATOM 0 HG SER A 86 -8.610 -10.366 7.481 1.00 25.15 H new ATOM 1202 N GLY A 87 -10.637 -8.962 11.721 1.00 45.51 N ATOM 1203 CA GLY A 87 -10.554 -9.341 13.120 1.00 5.25 C ATOM 1204 C GLY A 87 -11.917 -9.441 13.775 1.00 5.34 C ATOM 1205 O GLY A 87 -12.946 -9.540 13.105 1.00 1.14 O ATOM 0 H GLY A 87 -11.561 -9.067 11.303 1.00 45.51 H new ATOM 0 HA2 GLY A 87 -10.043 -10.300 13.204 1.00 5.25 H new ATOM 0 HA3 GLY A 87 -9.949 -8.610 13.656 1.00 5.25 H new ATOM 1209 N PRO A 88 -11.937 -9.417 15.115 1.00 23.10 N ATOM 1210 CA PRO A 88 -13.178 -9.505 15.891 1.00 1.15 C ATOM 1211 C PRO A 88 -14.036 -8.251 15.757 1.00 71.52 C ATOM 1212 O PRO A 88 -15.263 -8.328 15.721 1.00 42.52 O ATOM 1213 CB PRO A 88 -12.687 -9.667 17.331 1.00 53.03 C ATOM 1214 CG PRO A 88 -11.332 -9.045 17.340 1.00 30.32 C ATOM 1215 CD PRO A 88 -10.750 -9.301 15.978 1.00 53.21 C ATOM 0 HA PRO A 88 -13.814 -10.322 15.550 1.00 1.15 H new ATOM 0 HB2 PRO A 88 -13.355 -9.171 18.035 1.00 53.03 H new ATOM 0 HB3 PRO A 88 -12.643 -10.717 17.619 1.00 53.03 H new ATOM 0 HG2 PRO A 88 -11.395 -7.976 17.543 1.00 30.32 H new ATOM 0 HG3 PRO A 88 -10.707 -9.481 18.120 1.00 30.32 H new ATOM 0 HD2 PRO A 88 -10.100 -8.486 15.659 1.00 53.21 H new ATOM 0 HD3 PRO A 88 -10.151 -10.212 15.962 1.00 53.21 H new ATOM 1223 N GLY A 89 -13.380 -7.097 15.686 1.00 70.54 N ATOM 1224 CA GLY A 89 -14.098 -5.843 15.558 1.00 63.45 C ATOM 1225 C GLY A 89 -14.460 -5.241 16.903 1.00 43.11 C ATOM 1226 O GLY A 89 -15.435 -4.498 17.016 1.00 52.20 O ATOM 0 H GLY A 89 -12.364 -7.008 15.715 1.00 70.54 H new ATOM 0 HA2 GLY A 89 -13.488 -5.134 14.999 1.00 63.45 H new ATOM 0 HA3 GLY A 89 -15.008 -6.006 14.980 1.00 63.45 H new ATOM 1230 N SER A 90 -13.673 -5.564 17.924 1.00 33.41 N ATOM 1231 CA SER A 90 -13.918 -5.055 19.268 1.00 63.32 C ATOM 1232 C SER A 90 -12.815 -4.092 19.694 1.00 51.21 C ATOM 1233 O SER A 90 -11.925 -4.432 20.473 1.00 73.01 O ATOM 1234 CB SER A 90 -14.013 -6.212 20.265 1.00 62.23 C ATOM 1235 OG SER A 90 -15.354 -6.640 20.424 1.00 64.30 O ATOM 0 H SER A 90 -12.860 -6.176 17.846 1.00 33.41 H new ATOM 0 HA SER A 90 -14.864 -4.514 19.258 1.00 63.32 H new ATOM 0 HB2 SER A 90 -13.401 -7.045 19.919 1.00 62.23 H new ATOM 0 HB3 SER A 90 -13.611 -5.899 21.229 1.00 62.23 H new ATOM 0 HG SER A 90 -15.387 -7.381 21.065 1.00 64.30 H new ATOM 1241 N PRO A 91 -12.874 -2.858 19.171 1.00 13.33 N ATOM 1242 CA PRO A 91 -11.888 -1.818 19.481 1.00 60.10 C ATOM 1243 C PRO A 91 -12.005 -1.320 20.917 1.00 62.34 C ATOM 1244 O PRO A 91 -13.017 -1.545 21.583 1.00 14.33 O ATOM 1245 CB PRO A 91 -12.233 -0.697 18.497 1.00 2.10 C ATOM 1246 CG PRO A 91 -13.676 -0.899 18.184 1.00 53.54 C ATOM 1247 CD PRO A 91 -13.908 -2.383 18.235 1.00 53.24 C ATOM 0 HA PRO A 91 -10.866 -2.185 19.389 1.00 60.10 H new ATOM 0 HB2 PRO A 91 -12.057 0.284 18.937 1.00 2.10 H new ATOM 0 HB3 PRO A 91 -11.620 -0.757 17.597 1.00 2.10 H new ATOM 0 HG2 PRO A 91 -14.308 -0.380 18.905 1.00 53.54 H new ATOM 0 HG3 PRO A 91 -13.921 -0.499 17.200 1.00 53.54 H new ATOM 0 HD2 PRO A 91 -14.911 -2.621 18.590 1.00 53.24 H new ATOM 0 HD3 PRO A 91 -13.801 -2.841 17.252 1.00 53.24 H new ATOM 1255 N SER A 92 -10.963 -0.642 21.391 1.00 4.45 N ATOM 1256 CA SER A 92 -10.948 -0.115 22.750 1.00 21.42 C ATOM 1257 C SER A 92 -10.139 1.176 22.823 1.00 42.12 C ATOM 1258 O SER A 92 -9.457 1.549 21.868 1.00 31.41 O ATOM 1259 CB SER A 92 -10.367 -1.151 23.714 1.00 51.34 C ATOM 1260 OG SER A 92 -9.351 -1.916 23.089 1.00 55.54 O ATOM 0 H SER A 92 -10.119 -0.445 20.853 1.00 4.45 H new ATOM 0 HA SER A 92 -11.975 0.105 23.040 1.00 21.42 H new ATOM 0 HB2 SER A 92 -9.960 -0.648 24.591 1.00 51.34 H new ATOM 0 HB3 SER A 92 -11.160 -1.811 24.064 1.00 51.34 H new ATOM 0 HG SER A 92 -8.995 -2.570 23.726 1.00 55.54 H new ATOM 1266 N ASN A 93 -10.220 1.855 23.963 1.00 10.03 N ATOM 1267 CA ASN A 93 -9.496 3.105 24.162 1.00 10.52 C ATOM 1268 C ASN A 93 -9.900 4.140 23.115 1.00 13.03 C ATOM 1269 O ASN A 93 -9.047 4.744 22.463 1.00 73.24 O ATOM 1270 CB ASN A 93 -7.987 2.860 24.097 1.00 63.32 C ATOM 1271 CG ASN A 93 -7.429 2.339 25.408 1.00 4.11 C ATOM 1272 OD1 ASN A 93 -7.815 1.269 25.878 1.00 2.24 O ATOM 1273 ND2 ASN A 93 -6.517 3.098 26.005 1.00 35.44 N ATOM 0 H ASN A 93 -10.780 1.560 24.763 1.00 10.03 H new ATOM 0 HA ASN A 93 -9.753 3.492 25.148 1.00 10.52 H new ATOM 0 HB2 ASN A 93 -7.772 2.144 23.304 1.00 63.32 H new ATOM 0 HB3 ASN A 93 -7.482 3.789 23.834 1.00 63.32 H new ATOM 0 HD21 ASN A 93 -6.106 2.801 26.890 1.00 35.44 H new ATOM 0 HD22 ASN A 93 -6.227 3.978 25.578 1.00 35.44 H new ATOM 1280 N CYS A 94 -11.204 4.337 22.960 1.00 52.34 N ATOM 1281 CA CYS A 94 -11.722 5.299 21.993 1.00 12.33 C ATOM 1282 C CYS A 94 -11.351 6.724 22.391 1.00 70.52 C ATOM 1283 O CYS A 94 -12.029 7.348 23.209 1.00 74.41 O ATOM 1284 CB CYS A 94 -13.241 5.168 21.875 1.00 32.02 C ATOM 1285 SG CYS A 94 -13.819 3.471 21.645 1.00 21.03 S ATOM 0 H CYS A 94 -11.922 3.844 23.491 1.00 52.34 H new ATOM 0 HA CYS A 94 -11.270 5.083 21.025 1.00 12.33 H new ATOM 0 HB2 CYS A 94 -13.701 5.579 22.774 1.00 32.02 H new ATOM 0 HB3 CYS A 94 -13.583 5.774 21.036 1.00 32.02 H new ATOM 0 HG CYS A 94 -14.355 3.351 20.467 1.00 21.03 H new ATOM 1291 N LYS A 95 -10.271 7.235 21.809 1.00 61.50 N ATOM 1292 CA LYS A 95 -9.810 8.586 22.103 1.00 51.11 C ATOM 1293 C LYS A 95 -9.767 9.434 20.836 1.00 21.43 C ATOM 1294 O LYS A 95 -9.441 8.939 19.756 1.00 50.10 O ATOM 1295 CB LYS A 95 -8.422 8.544 22.748 1.00 51.45 C ATOM 1296 CG LYS A 95 -8.456 8.322 24.249 1.00 31.51 C ATOM 1297 CD LYS A 95 -8.608 6.849 24.592 1.00 61.31 C ATOM 1298 CE LYS A 95 -8.634 6.626 26.096 1.00 24.10 C ATOM 1299 NZ LYS A 95 -7.307 6.890 26.719 1.00 13.33 N ATOM 0 H LYS A 95 -9.699 6.733 21.130 1.00 61.50 H new ATOM 0 HA LYS A 95 -10.515 9.040 22.800 1.00 51.11 H new ATOM 0 HB2 LYS A 95 -7.839 7.748 22.285 1.00 51.45 H new ATOM 0 HB3 LYS A 95 -7.905 9.481 22.539 1.00 51.45 H new ATOM 0 HG2 LYS A 95 -7.540 8.708 24.696 1.00 31.51 H new ATOM 0 HG3 LYS A 95 -9.283 8.885 24.682 1.00 31.51 H new ATOM 0 HD2 LYS A 95 -9.527 6.465 24.150 1.00 61.31 H new ATOM 0 HD3 LYS A 95 -7.784 6.286 24.154 1.00 61.31 H new ATOM 0 HE2 LYS A 95 -9.383 7.277 26.547 1.00 24.10 H new ATOM 0 HE3 LYS A 95 -8.936 5.600 26.306 1.00 24.10 H new ATOM 0 HZ1 LYS A 95 -7.333 6.614 27.721 1.00 13.33 H new ATOM 0 HZ2 LYS A 95 -6.576 6.337 26.227 1.00 13.33 H new ATOM 0 HZ3 LYS A 95 -7.084 7.903 26.644 1.00 13.33 H new ATOM 1313 N LEU A 96 -10.099 10.713 20.974 1.00 73.11 N ATOM 1314 CA LEU A 96 -10.097 11.631 19.841 1.00 2.11 C ATOM 1315 C LEU A 96 -9.913 13.071 20.306 1.00 74.43 C ATOM 1316 O LEU A 96 -10.229 13.411 21.445 1.00 73.21 O ATOM 1317 CB LEU A 96 -11.402 11.500 19.052 1.00 43.22 C ATOM 1318 CG LEU A 96 -12.600 12.272 19.606 1.00 25.52 C ATOM 1319 CD1 LEU A 96 -12.854 13.526 18.785 1.00 51.02 C ATOM 1320 CD2 LEU A 96 -13.839 11.388 19.628 1.00 44.12 C ATOM 0 H LEU A 96 -10.373 11.138 21.860 1.00 73.11 H new ATOM 0 HA LEU A 96 -9.260 11.369 19.194 1.00 2.11 H new ATOM 0 HB2 LEU A 96 -11.221 11.834 18.030 1.00 43.22 H new ATOM 0 HB3 LEU A 96 -11.668 10.444 19.000 1.00 43.22 H new ATOM 0 HG LEU A 96 -12.372 12.572 20.629 1.00 25.52 H new ATOM 0 HD11 LEU A 96 -13.710 14.062 19.195 1.00 51.02 H new ATOM 0 HD12 LEU A 96 -11.974 14.168 18.820 1.00 51.02 H new ATOM 0 HD13 LEU A 96 -13.060 13.249 17.751 1.00 51.02 H new ATOM 0 HD21 LEU A 96 -14.682 11.953 20.025 1.00 44.12 H new ATOM 0 HD22 LEU A 96 -14.068 11.058 18.615 1.00 44.12 H new ATOM 0 HD23 LEU A 96 -13.655 10.519 20.260 1.00 44.12 H new ATOM 1332 N ASN A 97 -9.401 13.915 19.415 1.00 62.51 N ATOM 1333 CA ASN A 97 -9.176 15.320 19.734 1.00 62.44 C ATOM 1334 C ASN A 97 -8.149 15.466 20.853 1.00 4.02 C ATOM 1335 O ASN A 97 -8.295 16.309 21.737 1.00 54.31 O ATOM 1336 CB ASN A 97 -10.491 15.988 20.144 1.00 3.31 C ATOM 1337 CG ASN A 97 -10.415 17.501 20.079 1.00 51.22 C ATOM 1338 OD1 ASN A 97 -10.096 18.073 19.036 1.00 71.35 O ATOM 1339 ND2 ASN A 97 -10.709 18.157 21.195 1.00 20.23 N ATOM 0 H ASN A 97 -9.134 13.650 18.467 1.00 62.51 H new ATOM 0 HA ASN A 97 -8.788 15.812 18.842 1.00 62.44 H new ATOM 0 HB2 ASN A 97 -11.292 15.639 19.492 1.00 3.31 H new ATOM 0 HB3 ASN A 97 -10.750 15.683 21.158 1.00 3.31 H new ATOM 0 HD21 ASN A 97 -10.676 19.176 21.211 1.00 20.23 H new ATOM 0 HD22 ASN A 97 -10.968 17.642 22.036 1.00 20.23 H new ATOM 1346 N GLY A 98 -7.109 14.639 20.806 1.00 2.22 N ATOM 1347 CA GLY A 98 -6.073 14.692 21.820 1.00 15.15 C ATOM 1348 C GLY A 98 -6.471 13.976 23.094 1.00 72.42 C ATOM 1349 O GLY A 98 -6.213 14.463 24.195 1.00 24.54 O ATOM 0 H GLY A 98 -6.966 13.933 20.084 1.00 2.22 H new ATOM 0 HA2 GLY A 98 -5.160 14.245 21.426 1.00 15.15 H new ATOM 0 HA3 GLY A 98 -5.845 15.733 22.048 1.00 15.15 H new ATOM 1353 N GLY A 99 -7.103 12.815 22.947 1.00 14.41 N ATOM 1354 CA GLY A 99 -7.529 12.050 24.105 1.00 4.44 C ATOM 1355 C GLY A 99 -8.720 12.673 24.805 1.00 53.44 C ATOM 1356 O GLY A 99 -8.623 13.085 25.961 1.00 10.32 O ATOM 0 H GLY A 99 -7.327 12.391 22.047 1.00 14.41 H new ATOM 0 HA2 GLY A 99 -7.784 11.037 23.794 1.00 4.44 H new ATOM 0 HA3 GLY A 99 -6.700 11.969 24.808 1.00 4.44 H new ATOM 1360 N SER A 100 -9.847 12.746 24.102 1.00 75.31 N ATOM 1361 CA SER A 100 -11.060 13.329 24.663 1.00 21.31 C ATOM 1362 C SER A 100 -12.299 12.788 23.955 1.00 12.51 C ATOM 1363 O SER A 100 -12.604 13.181 22.828 1.00 15.02 O ATOM 1364 CB SER A 100 -11.018 14.854 24.549 1.00 34.21 C ATOM 1365 OG SER A 100 -11.937 15.457 25.443 1.00 40.14 O ATOM 0 H SER A 100 -9.944 12.409 23.144 1.00 75.31 H new ATOM 0 HA SER A 100 -11.114 13.052 25.716 1.00 21.31 H new ATOM 0 HB2 SER A 100 -10.010 15.210 24.763 1.00 34.21 H new ATOM 0 HB3 SER A 100 -11.251 15.152 23.527 1.00 34.21 H new ATOM 0 HG SER A 100 -11.890 16.432 25.352 1.00 40.14 H new ATOM 1371 N CYS A 101 -13.008 11.886 24.624 1.00 5.51 N ATOM 1372 CA CYS A 101 -14.214 11.290 24.059 1.00 2.22 C ATOM 1373 C CYS A 101 -15.197 10.906 25.160 1.00 0.42 C ATOM 1374 O CYS A 101 -14.798 10.436 26.226 1.00 2.21 O ATOM 1375 CB CYS A 101 -13.857 10.059 23.225 1.00 33.51 C ATOM 1376 SG CYS A 101 -15.284 9.224 22.493 1.00 1.03 S ATOM 0 H CYS A 101 -12.769 11.551 25.557 1.00 5.51 H new ATOM 0 HA CYS A 101 -14.689 12.030 23.415 1.00 2.22 H new ATOM 0 HB2 CYS A 101 -13.176 10.358 22.428 1.00 33.51 H new ATOM 0 HB3 CYS A 101 -13.319 9.351 23.855 1.00 33.51 H new ATOM 0 HG CYS A 101 -14.880 8.197 21.805 1.00 1.03 H new ATOM 1382 N ASP A 102 -16.483 11.111 24.895 1.00 72.14 N ATOM 1383 CA ASP A 102 -17.524 10.788 25.864 1.00 35.40 C ATOM 1384 C ASP A 102 -18.577 9.876 25.244 1.00 24.33 C ATOM 1385 O ASP A 102 -18.739 9.835 24.026 1.00 0.34 O ATOM 1386 CB ASP A 102 -18.180 12.066 26.386 1.00 43.14 C ATOM 1387 CG ASP A 102 -18.536 11.975 27.857 1.00 70.50 C ATOM 1388 OD1 ASP A 102 -17.695 11.492 28.643 1.00 74.02 O ATOM 1389 OD2 ASP A 102 -19.657 12.387 28.222 1.00 43.24 O ATOM 0 H ASP A 102 -16.829 11.499 24.018 1.00 72.14 H new ATOM 0 HA ASP A 102 -17.060 10.262 26.698 1.00 35.40 H new ATOM 0 HB2 ASP A 102 -17.505 12.907 26.230 1.00 43.14 H new ATOM 0 HB3 ASP A 102 -19.082 12.270 25.809 1.00 43.14 H new ATOM 1394 N GLY A 103 -19.293 9.144 26.093 1.00 22.12 N ATOM 1395 CA GLY A 103 -20.323 8.242 25.610 1.00 1.21 C ATOM 1396 C GLY A 103 -19.812 6.827 25.422 1.00 74.10 C ATOM 1397 O GLY A 103 -20.584 5.868 25.470 1.00 41.34 O ATOM 0 H GLY A 103 -19.178 9.160 27.106 1.00 22.12 H new ATOM 0 HA2 GLY A 103 -21.155 8.234 26.315 1.00 1.21 H new ATOM 0 HA3 GLY A 103 -20.712 8.614 24.662 1.00 1.21 H new ATOM 1401 N THR A 104 -18.507 6.694 25.207 1.00 62.11 N ATOM 1402 CA THR A 104 -17.893 5.387 25.009 1.00 24.22 C ATOM 1403 C THR A 104 -16.417 5.409 25.385 1.00 52.11 C ATOM 1404 O THR A 104 -15.847 6.470 25.640 1.00 3.55 O ATOM 1405 CB THR A 104 -18.033 4.916 23.549 1.00 64.41 C ATOM 1406 OG1 THR A 104 -18.740 5.898 22.783 1.00 52.34 O ATOM 1407 CG2 THR A 104 -18.768 3.586 23.477 1.00 33.13 C ATOM 0 H THR A 104 -17.854 7.477 25.166 1.00 62.11 H new ATOM 0 HA THR A 104 -18.419 4.689 25.660 1.00 24.22 H new ATOM 0 HB THR A 104 -17.033 4.784 23.136 1.00 64.41 H new ATOM 0 HG1 THR A 104 -18.823 5.592 21.856 1.00 52.34 H new ATOM 0 HG21 THR A 104 -18.855 3.274 22.436 1.00 33.13 H new ATOM 0 HG22 THR A 104 -18.213 2.833 24.037 1.00 33.13 H new ATOM 0 HG23 THR A 104 -19.764 3.697 23.907 1.00 33.13 H new ATOM 1415 N SER A 105 -15.801 4.231 25.419 1.00 20.13 N ATOM 1416 CA SER A 105 -14.390 4.116 25.767 1.00 12.42 C ATOM 1417 C SER A 105 -13.817 2.789 25.279 1.00 15.24 C ATOM 1418 O SER A 105 -12.602 2.597 25.255 1.00 62.13 O ATOM 1419 CB SER A 105 -14.205 4.238 27.281 1.00 52.44 C ATOM 1420 OG SER A 105 -12.841 4.098 27.640 1.00 63.15 O ATOM 0 H SER A 105 -16.257 3.343 25.210 1.00 20.13 H new ATOM 0 HA SER A 105 -13.852 4.927 25.276 1.00 12.42 H new ATOM 0 HB2 SER A 105 -14.576 5.205 27.619 1.00 52.44 H new ATOM 0 HB3 SER A 105 -14.798 3.475 27.786 1.00 52.44 H new ATOM 0 HG SER A 105 -12.357 3.649 26.916 1.00 63.15 H new TER 1426 SER A 105