USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 748 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 52 ASN : amide:sc= 0 X(o=-0.68,f=-0.63) USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= -0.679 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 1.36 USER MOD Set 2.2: A 29 SER OG : rot 75:sc= 1.04 USER MOD Set 3.1: A 15 THR OG1 : rot -98:sc= 0.437 USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0.403 USER MOD Set 4.1: A 9 SER OG : rot 180:sc= 0.382 USER MOD Set 4.2: A 11 SER OG : rot -19:sc= 0.28 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.0908 (180deg=-0.104) USER MOD Single : A 3 HIS : no HE2:sc= -0.762 K(o=-0.76,f=-1.3) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.37) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 13 ASN : amide:sc= -1.69! K(o=-1.7!,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= 0.0823 X(o=0.082,f=-0.14) USER MOD Single : A 19 GLN : amide:sc= -0.619 K(o=-0.62,f=0) USER MOD Single : A 24 ASN : amide:sc=-0.00424 K(o=-0.0042,f=-0.85) USER MOD Single : A 33 TYR OH : rot 30:sc= 0.259 USER MOD Single : A 35 LYS NZ :NH3+ -132:sc= 0.547 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.29 K(o=-0.29,f=-6.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -170:sc= 0.133 USER MOD Single : A 48 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.012) USER MOD Single : A 50 MET CE :methyl 179:sc= -0.0615 (180deg=-0.0636) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0996 USER MOD Single : A 61 LYS NZ :NH3+ -117:sc= -0.562 (180deg=-2.64!) USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= 0.0275 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -52:sc= 0.0307 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= 0.207 (180deg=0.184) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.442 29.914 -4.608 1.00 61.20 N ATOM 2 CA MET A 1 13.258 28.992 -5.447 1.00 44.01 C ATOM 3 C MET A 1 13.640 27.702 -4.667 1.00 35.44 C ATOM 4 O MET A 1 14.177 26.755 -5.253 1.00 52.30 O ATOM 5 CB MET A 1 14.529 29.721 -5.977 1.00 41.32 C ATOM 6 CG MET A 1 15.264 28.985 -7.114 1.00 24.01 C ATOM 7 SD MET A 1 16.716 29.871 -7.714 1.00 11.22 S ATOM 8 CE MET A 1 17.244 28.820 -9.071 1.00 0.14 C ATOM 0 H1 MET A 1 12.175 30.749 -5.168 1.00 61.20 H new ATOM 0 H2 MET A 1 11.583 29.423 -4.288 1.00 61.20 H new ATOM 0 H3 MET A 1 12.997 30.215 -3.782 1.00 61.20 H new ATOM 0 HA MET A 1 12.652 28.689 -6.301 1.00 44.01 H new ATOM 0 HB2 MET A 1 14.243 30.712 -6.329 1.00 41.32 H new ATOM 0 HB3 MET A 1 15.222 29.865 -5.148 1.00 41.32 H new ATOM 0 HG2 MET A 1 15.568 27.999 -6.763 1.00 24.01 H new ATOM 0 HG3 MET A 1 14.574 28.829 -7.943 1.00 24.01 H new ATOM 0 HE1 MET A 1 18.133 29.245 -9.536 1.00 0.14 H new ATOM 0 HE2 MET A 1 17.474 27.824 -8.692 1.00 0.14 H new ATOM 0 HE3 MET A 1 16.446 28.752 -9.810 1.00 0.14 H new ATOM 20 N GLY A 2 13.365 27.677 -3.341 1.00 22.13 N ATOM 21 CA GLY A 2 13.610 26.494 -2.494 1.00 42.40 C ATOM 22 C GLY A 2 12.645 25.333 -2.784 1.00 44.02 C ATOM 23 O GLY A 2 11.701 25.093 -2.029 1.00 55.22 O ATOM 0 H GLY A 2 12.971 28.471 -2.836 1.00 22.13 H new ATOM 0 HA2 GLY A 2 14.634 26.153 -2.644 1.00 42.40 H new ATOM 0 HA3 GLY A 2 13.520 26.780 -1.446 1.00 42.40 H new ATOM 27 N HIS A 3 12.892 24.630 -3.904 1.00 63.32 N ATOM 28 CA HIS A 3 12.059 23.498 -4.377 1.00 44.21 C ATOM 29 C HIS A 3 12.413 22.186 -3.632 1.00 15.41 C ATOM 30 O HIS A 3 13.589 21.828 -3.529 1.00 71.34 O ATOM 31 CB HIS A 3 12.215 23.344 -5.919 1.00 51.11 C ATOM 32 CG HIS A 3 13.644 23.354 -6.423 1.00 70.34 C ATOM 33 ND1 HIS A 3 14.256 24.485 -6.925 1.00 74.41 N ATOM 34 CD2 HIS A 3 14.576 22.376 -6.500 1.00 62.13 C ATOM 35 CE1 HIS A 3 15.484 24.199 -7.296 1.00 71.32 C ATOM 36 NE2 HIS A 3 15.708 22.933 -7.044 1.00 5.04 N ATOM 0 H HIS A 3 13.683 24.830 -4.516 1.00 63.32 H new ATOM 0 HA HIS A 3 11.014 23.712 -4.154 1.00 44.21 H new ATOM 0 HB2 HIS A 3 11.744 22.410 -6.225 1.00 51.11 H new ATOM 0 HB3 HIS A 3 11.668 24.151 -6.407 1.00 51.11 H new ATOM 0 HD1 HIS A 3 13.821 25.405 -6.997 1.00 74.41 H new ATOM 0 HD2 HIS A 3 14.453 21.348 -6.191 1.00 62.13 H new ATOM 0 HE1 HIS A 3 16.189 24.890 -7.734 1.00 71.32 H new ATOM 45 N HIS A 4 11.384 21.473 -3.126 1.00 21.31 N ATOM 46 CA HIS A 4 11.573 20.284 -2.251 1.00 64.04 C ATOM 47 C HIS A 4 12.175 19.066 -3.016 1.00 51.12 C ATOM 48 O HIS A 4 12.844 18.228 -2.408 1.00 13.01 O ATOM 49 CB HIS A 4 10.228 19.910 -1.567 1.00 74.34 C ATOM 50 CG HIS A 4 10.328 18.851 -0.487 1.00 50.41 C ATOM 51 ND1 HIS A 4 10.368 17.498 -0.755 1.00 43.14 N ATOM 52 CD2 HIS A 4 10.394 18.954 0.865 1.00 2.40 C ATOM 53 CE1 HIS A 4 10.453 16.823 0.371 1.00 52.01 C ATOM 54 NE2 HIS A 4 10.470 17.679 1.370 1.00 61.00 N ATOM 0 H HIS A 4 10.406 21.698 -3.307 1.00 21.31 H new ATOM 0 HA HIS A 4 12.300 20.551 -1.485 1.00 64.04 H new ATOM 0 HB2 HIS A 4 9.797 20.811 -1.131 1.00 74.34 H new ATOM 0 HB3 HIS A 4 9.534 19.562 -2.332 1.00 74.34 H new ATOM 0 HD2 HIS A 4 10.388 19.870 1.438 1.00 2.40 H new ATOM 0 HE1 HIS A 4 10.501 15.748 0.460 1.00 52.01 H new ATOM 0 HE2 HIS A 4 10.530 17.435 2.359 1.00 61.00 H new ATOM 63 N HIS A 5 11.930 18.970 -4.339 1.00 44.52 N ATOM 64 CA HIS A 5 12.514 17.892 -5.188 1.00 61.31 C ATOM 65 C HIS A 5 14.024 18.112 -5.466 1.00 74.05 C ATOM 66 O HIS A 5 14.471 19.243 -5.682 1.00 64.25 O ATOM 67 CB HIS A 5 11.750 17.769 -6.532 1.00 3.44 C ATOM 68 CG HIS A 5 10.351 17.232 -6.407 1.00 60.13 C ATOM 69 ND1 HIS A 5 9.225 17.957 -6.737 1.00 70.43 N ATOM 70 CD2 HIS A 5 9.904 16.017 -6.011 1.00 53.42 C ATOM 71 CE1 HIS A 5 8.157 17.218 -6.553 1.00 0.24 C ATOM 72 NE2 HIS A 5 8.540 16.039 -6.114 1.00 13.13 N ATOM 0 H HIS A 5 11.333 19.621 -4.849 1.00 44.52 H new ATOM 0 HA HIS A 5 12.409 16.964 -4.625 1.00 61.31 H new ATOM 0 HB2 HIS A 5 11.708 18.751 -7.003 1.00 3.44 H new ATOM 0 HB3 HIS A 5 12.317 17.120 -7.199 1.00 3.44 H new ATOM 0 HD2 HIS A 5 10.510 15.187 -5.677 1.00 53.42 H new ATOM 0 HE1 HIS A 5 7.137 17.525 -6.732 1.00 0.24 H new ATOM 0 HE2 HIS A 5 7.918 15.263 -5.886 1.00 13.13 H new ATOM 81 N HIS A 6 14.791 17.003 -5.471 1.00 51.03 N ATOM 82 CA HIS A 6 16.234 17.006 -5.810 1.00 43.33 C ATOM 83 C HIS A 6 16.458 17.014 -7.352 1.00 73.25 C ATOM 84 O HIS A 6 17.544 17.381 -7.826 1.00 10.20 O ATOM 85 CB HIS A 6 16.938 15.791 -5.150 1.00 21.45 C ATOM 86 CG HIS A 6 18.425 15.746 -5.357 1.00 11.04 C ATOM 87 ND1 HIS A 6 19.265 16.754 -4.943 1.00 5.33 N ATOM 88 CD2 HIS A 6 19.217 14.833 -5.970 1.00 3.32 C ATOM 89 CE1 HIS A 6 20.496 16.467 -5.289 1.00 33.30 C ATOM 90 NE2 HIS A 6 20.499 15.308 -5.912 1.00 53.05 N ATOM 0 H HIS A 6 14.430 16.078 -5.240 1.00 51.03 H new ATOM 0 HA HIS A 6 16.675 17.922 -5.416 1.00 43.33 H new ATOM 0 HB2 HIS A 6 16.733 15.806 -4.080 1.00 21.45 H new ATOM 0 HB3 HIS A 6 16.501 14.874 -5.546 1.00 21.45 H new ATOM 0 HD2 HIS A 6 18.897 13.905 -6.420 1.00 3.32 H new ATOM 0 HE1 HIS A 6 21.364 17.080 -5.095 1.00 33.30 H new ATOM 0 HE2 HIS A 6 21.323 14.840 -6.290 1.00 53.05 H new ATOM 99 N HIS A 7 15.427 16.612 -8.123 1.00 42.31 N ATOM 100 CA HIS A 7 15.435 16.720 -9.602 1.00 53.31 C ATOM 101 C HIS A 7 14.013 17.040 -10.126 1.00 4.12 C ATOM 102 O HIS A 7 13.019 16.517 -9.608 1.00 42.03 O ATOM 103 CB HIS A 7 16.012 15.431 -10.259 1.00 40.35 C ATOM 104 CG HIS A 7 15.133 14.202 -10.193 1.00 44.44 C ATOM 105 ND1 HIS A 7 14.907 13.494 -9.037 1.00 15.14 N ATOM 106 CD2 HIS A 7 14.439 13.551 -11.161 1.00 42.33 C ATOM 107 CE1 HIS A 7 14.118 12.469 -9.292 1.00 52.41 C ATOM 108 NE2 HIS A 7 13.821 12.477 -10.572 1.00 34.34 N ATOM 0 H HIS A 7 14.571 16.206 -7.745 1.00 42.31 H new ATOM 0 HA HIS A 7 16.091 17.543 -9.884 1.00 53.31 H new ATOM 0 HB2 HIS A 7 16.225 15.645 -11.306 1.00 40.35 H new ATOM 0 HB3 HIS A 7 16.964 15.199 -9.781 1.00 40.35 H new ATOM 0 HD2 HIS A 7 14.383 13.828 -12.203 1.00 42.33 H new ATOM 0 HE1 HIS A 7 13.773 11.744 -8.570 1.00 52.41 H new ATOM 0 HE2 HIS A 7 13.229 11.797 -11.049 1.00 34.34 H new ATOM 117 N HIS A 8 13.927 17.914 -11.146 1.00 45.32 N ATOM 118 CA HIS A 8 12.641 18.333 -11.752 1.00 61.11 C ATOM 119 C HIS A 8 12.179 17.310 -12.829 1.00 1.51 C ATOM 120 O HIS A 8 12.445 17.473 -14.030 1.00 2.43 O ATOM 121 CB HIS A 8 12.768 19.773 -12.332 1.00 55.54 C ATOM 122 CG HIS A 8 11.471 20.373 -12.828 1.00 60.12 C ATOM 123 ND1 HIS A 8 10.951 20.113 -14.078 1.00 4.33 N ATOM 124 CD2 HIS A 8 10.579 21.201 -12.224 1.00 42.42 C ATOM 125 CE1 HIS A 8 9.806 20.748 -14.221 1.00 45.53 C ATOM 126 NE2 HIS A 8 9.554 21.413 -13.114 1.00 33.21 N ATOM 0 H HIS A 8 14.743 18.351 -11.575 1.00 45.32 H new ATOM 0 HA HIS A 8 11.872 18.352 -10.979 1.00 61.11 H new ATOM 0 HB2 HIS A 8 13.183 20.424 -11.563 1.00 55.54 H new ATOM 0 HB3 HIS A 8 13.483 19.757 -13.155 1.00 55.54 H new ATOM 0 HD2 HIS A 8 10.660 21.615 -11.230 1.00 42.42 H new ATOM 0 HE1 HIS A 8 9.179 20.726 -15.100 1.00 45.53 H new ATOM 0 HE2 HIS A 8 8.731 21.992 -12.944 1.00 33.21 H new ATOM 135 N SER A 9 11.519 16.233 -12.367 1.00 62.43 N ATOM 136 CA SER A 9 10.962 15.171 -13.240 1.00 12.10 C ATOM 137 C SER A 9 9.516 15.501 -13.666 1.00 55.13 C ATOM 138 O SER A 9 8.681 15.825 -12.818 1.00 22.22 O ATOM 139 CB SER A 9 10.986 13.812 -12.504 1.00 3.45 C ATOM 140 OG SER A 9 10.446 12.770 -13.304 1.00 23.43 O ATOM 0 H SER A 9 11.354 16.069 -11.374 1.00 62.43 H new ATOM 0 HA SER A 9 11.582 15.114 -14.135 1.00 12.10 H new ATOM 0 HB2 SER A 9 12.012 13.565 -12.229 1.00 3.45 H new ATOM 0 HB3 SER A 9 10.418 13.890 -11.577 1.00 3.45 H new ATOM 0 HG SER A 9 10.479 11.926 -12.807 1.00 23.43 H new ATOM 146 N HIS A 10 9.221 15.400 -14.975 1.00 62.12 N ATOM 147 CA HIS A 10 7.855 15.626 -15.510 1.00 54.22 C ATOM 148 C HIS A 10 6.859 14.534 -15.018 1.00 33.22 C ATOM 149 O HIS A 10 5.672 14.814 -14.805 1.00 4.45 O ATOM 150 CB HIS A 10 7.893 15.670 -17.058 1.00 53.31 C ATOM 151 CG HIS A 10 6.536 15.834 -17.704 1.00 14.31 C ATOM 152 ND1 HIS A 10 5.839 14.784 -18.260 1.00 34.14 N ATOM 153 CD2 HIS A 10 5.741 16.925 -17.854 1.00 53.44 C ATOM 154 CE1 HIS A 10 4.687 15.217 -18.724 1.00 3.30 C ATOM 155 NE2 HIS A 10 4.600 16.506 -18.487 1.00 13.20 N ATOM 0 H HIS A 10 9.910 15.163 -15.689 1.00 62.12 H new ATOM 0 HA HIS A 10 7.500 16.586 -15.134 1.00 54.22 H new ATOM 0 HB2 HIS A 10 8.535 16.493 -17.372 1.00 53.31 H new ATOM 0 HB3 HIS A 10 8.350 14.751 -17.426 1.00 53.31 H new ATOM 0 HD2 HIS A 10 5.966 17.932 -17.535 1.00 53.44 H new ATOM 0 HE1 HIS A 10 3.939 14.614 -19.217 1.00 3.30 H new ATOM 0 HE2 HIS A 10 3.809 17.101 -18.735 1.00 13.20 H new ATOM 164 N SER A 11 7.359 13.298 -14.851 1.00 64.25 N ATOM 165 CA SER A 11 6.551 12.150 -14.387 1.00 43.12 C ATOM 166 C SER A 11 6.305 12.230 -12.865 1.00 42.15 C ATOM 167 O SER A 11 7.139 11.794 -12.068 1.00 61.44 O ATOM 168 CB SER A 11 7.257 10.816 -14.757 1.00 2.04 C ATOM 169 OG SER A 11 8.561 10.728 -14.194 1.00 22.55 O ATOM 0 H SER A 11 8.335 13.063 -15.033 1.00 64.25 H new ATOM 0 HA SER A 11 5.583 12.185 -14.886 1.00 43.12 H new ATOM 0 HB2 SER A 11 6.654 9.978 -14.407 1.00 2.04 H new ATOM 0 HB3 SER A 11 7.324 10.730 -15.842 1.00 2.04 H new ATOM 0 HG SER A 11 8.870 11.623 -13.942 1.00 22.55 H new ATOM 175 N ASP A 12 5.184 12.853 -12.455 1.00 74.14 N ATOM 176 CA ASP A 12 4.800 12.925 -11.025 1.00 74.51 C ATOM 177 C ASP A 12 4.416 11.503 -10.531 1.00 62.40 C ATOM 178 O ASP A 12 3.398 10.952 -10.960 1.00 62.31 O ATOM 179 CB ASP A 12 3.638 13.942 -10.815 1.00 75.12 C ATOM 180 CG ASP A 12 3.518 14.416 -9.352 1.00 62.43 C ATOM 181 OD1 ASP A 12 2.973 13.683 -8.504 1.00 70.24 O ATOM 182 OD2 ASP A 12 3.995 15.527 -9.035 1.00 73.22 O ATOM 0 H ASP A 12 4.529 13.313 -13.087 1.00 74.14 H new ATOM 0 HA ASP A 12 5.644 13.283 -10.436 1.00 74.51 H new ATOM 0 HB2 ASP A 12 3.796 14.806 -11.461 1.00 75.12 H new ATOM 0 HB3 ASP A 12 2.699 13.482 -11.122 1.00 75.12 H new ATOM 187 N ASN A 13 5.257 10.915 -9.658 1.00 71.30 N ATOM 188 CA ASN A 13 5.142 9.497 -9.241 1.00 24.05 C ATOM 189 C ASN A 13 3.765 9.184 -8.582 1.00 54.54 C ATOM 190 O ASN A 13 3.391 9.794 -7.580 1.00 63.32 O ATOM 191 CB ASN A 13 6.314 9.132 -8.291 1.00 23.42 C ATOM 192 CG ASN A 13 6.365 7.646 -7.912 1.00 21.21 C ATOM 193 OD1 ASN A 13 5.904 6.773 -8.648 1.00 11.44 O ATOM 194 ND2 ASN A 13 6.950 7.344 -6.774 1.00 22.22 N ATOM 0 H ASN A 13 6.036 11.406 -9.220 1.00 71.30 H new ATOM 0 HA ASN A 13 5.203 8.879 -10.137 1.00 24.05 H new ATOM 0 HB2 ASN A 13 7.255 9.408 -8.767 1.00 23.42 H new ATOM 0 HB3 ASN A 13 6.231 9.727 -7.381 1.00 23.42 H new ATOM 0 HD21 ASN A 13 7.029 6.369 -6.484 1.00 22.22 H new ATOM 0 HD22 ASN A 13 7.324 8.084 -6.181 1.00 22.22 H new ATOM 201 N ASN A 14 3.033 8.217 -9.171 1.00 40.33 N ATOM 202 CA ASN A 14 1.675 7.827 -8.721 1.00 34.54 C ATOM 203 C ASN A 14 1.711 6.583 -7.795 1.00 2.34 C ATOM 204 O ASN A 14 0.682 6.178 -7.248 1.00 53.24 O ATOM 205 CB ASN A 14 0.764 7.574 -9.948 1.00 20.13 C ATOM 206 CG ASN A 14 1.295 6.479 -10.878 1.00 21.45 C ATOM 207 OD1 ASN A 14 2.035 6.755 -11.815 1.00 53.34 O ATOM 208 ND2 ASN A 14 0.925 5.235 -10.630 1.00 42.20 N ATOM 0 H ASN A 14 3.364 7.682 -9.974 1.00 40.33 H new ATOM 0 HA ASN A 14 1.264 8.650 -8.137 1.00 34.54 H new ATOM 0 HB2 ASN A 14 -0.232 7.297 -9.602 1.00 20.13 H new ATOM 0 HB3 ASN A 14 0.659 8.501 -10.512 1.00 20.13 H new ATOM 0 HD21 ASN A 14 1.256 4.476 -11.225 1.00 42.20 H new ATOM 0 HD22 ASN A 14 0.308 5.034 -9.843 1.00 42.20 H new ATOM 215 N THR A 15 2.898 5.969 -7.649 1.00 32.44 N ATOM 216 CA THR A 15 3.110 4.815 -6.751 1.00 41.52 C ATOM 217 C THR A 15 3.784 5.281 -5.449 1.00 64.55 C ATOM 218 O THR A 15 4.786 6.000 -5.487 1.00 14.20 O ATOM 219 CB THR A 15 3.986 3.710 -7.430 1.00 13.00 C ATOM 220 OG1 THR A 15 3.431 3.389 -8.717 1.00 42.33 O ATOM 221 CG2 THR A 15 4.052 2.420 -6.577 1.00 60.22 C ATOM 0 H THR A 15 3.739 6.257 -8.149 1.00 32.44 H new ATOM 0 HA THR A 15 2.134 4.383 -6.528 1.00 41.52 H new ATOM 0 HB THR A 15 4.998 4.103 -7.531 1.00 13.00 H new ATOM 0 HG1 THR A 15 2.878 2.584 -8.643 1.00 42.33 H new ATOM 0 HG21 THR A 15 4.670 1.679 -7.085 1.00 60.22 H new ATOM 0 HG22 THR A 15 4.486 2.649 -5.604 1.00 60.22 H new ATOM 0 HG23 THR A 15 3.046 2.022 -6.441 1.00 60.22 H new ATOM 229 N ILE A 16 3.221 4.878 -4.303 1.00 23.10 N ATOM 230 CA ILE A 16 3.743 5.235 -2.968 1.00 34.33 C ATOM 231 C ILE A 16 4.334 4.002 -2.262 1.00 32.12 C ATOM 232 O ILE A 16 3.934 2.877 -2.540 1.00 70.22 O ATOM 233 CB ILE A 16 2.625 5.881 -2.068 1.00 51.43 C ATOM 234 CG1 ILE A 16 1.434 4.907 -1.821 1.00 15.41 C ATOM 235 CG2 ILE A 16 2.139 7.201 -2.691 1.00 61.02 C ATOM 236 CD1 ILE A 16 0.380 5.430 -0.860 1.00 54.51 C ATOM 0 H ILE A 16 2.387 4.292 -4.270 1.00 23.10 H new ATOM 0 HA ILE A 16 4.534 5.971 -3.116 1.00 34.33 H new ATOM 0 HB ILE A 16 3.065 6.092 -1.094 1.00 51.43 H new ATOM 0 HG12 ILE A 16 0.958 4.686 -2.776 1.00 15.41 H new ATOM 0 HG13 ILE A 16 1.825 3.966 -1.434 1.00 15.41 H new ATOM 0 HG21 ILE A 16 1.366 7.638 -2.059 1.00 61.02 H new ATOM 0 HG22 ILE A 16 2.976 7.895 -2.773 1.00 61.02 H new ATOM 0 HG23 ILE A 16 1.730 7.007 -3.683 1.00 61.02 H new ATOM 0 HD11 ILE A 16 -0.410 4.688 -0.748 1.00 54.51 H new ATOM 0 HD12 ILE A 16 0.837 5.624 0.111 1.00 54.51 H new ATOM 0 HD13 ILE A 16 -0.044 6.354 -1.253 1.00 54.51 H new ATOM 248 N PHE A 17 5.300 4.224 -1.355 1.00 54.42 N ATOM 249 CA PHE A 17 5.884 3.156 -0.520 1.00 2.53 C ATOM 250 C PHE A 17 5.459 3.360 0.947 1.00 62.14 C ATOM 251 O PHE A 17 5.631 4.440 1.504 1.00 14.53 O ATOM 252 CB PHE A 17 7.431 3.134 -0.635 1.00 70.32 C ATOM 253 CG PHE A 17 8.101 2.064 0.238 1.00 63.43 C ATOM 254 CD1 PHE A 17 7.663 0.735 0.202 1.00 3.12 C ATOM 255 CD2 PHE A 17 9.153 2.384 1.095 1.00 4.25 C ATOM 256 CE1 PHE A 17 8.253 -0.224 0.991 1.00 41.42 C ATOM 257 CE2 PHE A 17 9.744 1.417 1.883 1.00 1.21 C ATOM 258 CZ PHE A 17 9.292 0.116 1.832 1.00 71.54 C ATOM 0 H PHE A 17 5.699 5.146 -1.179 1.00 54.42 H new ATOM 0 HA PHE A 17 5.512 2.195 -0.876 1.00 2.53 H new ATOM 0 HB2 PHE A 17 7.706 2.965 -1.676 1.00 70.32 H new ATOM 0 HB3 PHE A 17 7.821 4.113 -0.357 1.00 70.32 H new ATOM 0 HD1 PHE A 17 6.851 0.459 -0.454 1.00 3.12 H new ATOM 0 HD2 PHE A 17 9.510 3.402 1.143 1.00 4.25 H new ATOM 0 HE1 PHE A 17 7.902 -1.245 0.952 1.00 41.42 H new ATOM 0 HE2 PHE A 17 10.560 1.680 2.539 1.00 1.21 H new ATOM 0 HZ PHE A 17 9.752 -0.639 2.452 1.00 71.54 H new ATOM 268 N VAL A 18 4.921 2.301 1.560 1.00 54.33 N ATOM 269 CA VAL A 18 4.394 2.331 2.937 1.00 33.21 C ATOM 270 C VAL A 18 5.138 1.300 3.820 1.00 34.42 C ATOM 271 O VAL A 18 5.455 0.206 3.361 1.00 14.23 O ATOM 272 CB VAL A 18 2.851 2.019 2.960 1.00 33.20 C ATOM 273 CG1 VAL A 18 2.245 2.351 4.346 1.00 41.03 C ATOM 274 CG2 VAL A 18 2.109 2.762 1.821 1.00 20.04 C ATOM 0 H VAL A 18 4.836 1.388 1.114 1.00 54.33 H new ATOM 0 HA VAL A 18 4.555 3.334 3.332 1.00 33.21 H new ATOM 0 HB VAL A 18 2.720 0.951 2.786 1.00 33.20 H new ATOM 0 HG11 VAL A 18 1.178 2.128 4.340 1.00 41.03 H new ATOM 0 HG12 VAL A 18 2.737 1.750 5.111 1.00 41.03 H new ATOM 0 HG13 VAL A 18 2.393 3.409 4.564 1.00 41.03 H new ATOM 0 HG21 VAL A 18 1.046 2.526 1.864 1.00 20.04 H new ATOM 0 HG22 VAL A 18 2.247 3.837 1.938 1.00 20.04 H new ATOM 0 HG23 VAL A 18 2.512 2.447 0.858 1.00 20.04 H new ATOM 284 N GLN A 19 5.409 1.676 5.083 1.00 73.21 N ATOM 285 CA GLN A 19 6.058 0.805 6.098 1.00 21.13 C ATOM 286 C GLN A 19 5.162 0.692 7.356 1.00 23.04 C ATOM 287 O GLN A 19 4.356 1.580 7.613 1.00 21.52 O ATOM 288 CB GLN A 19 7.441 1.397 6.498 1.00 52.14 C ATOM 289 CG GLN A 19 8.437 1.552 5.333 1.00 65.53 C ATOM 290 CD GLN A 19 9.837 2.017 5.757 1.00 10.14 C ATOM 291 OE1 GLN A 19 10.506 2.744 5.029 1.00 24.01 O ATOM 292 NE2 GLN A 19 10.319 1.562 6.903 1.00 71.04 N ATOM 0 H GLN A 19 5.183 2.605 5.439 1.00 73.21 H new ATOM 0 HA GLN A 19 6.199 -0.187 5.669 1.00 21.13 H new ATOM 0 HB2 GLN A 19 7.284 2.374 6.956 1.00 52.14 H new ATOM 0 HB3 GLN A 19 7.889 0.757 7.258 1.00 52.14 H new ATOM 0 HG2 GLN A 19 8.525 0.596 4.816 1.00 65.53 H new ATOM 0 HG3 GLN A 19 8.031 2.266 4.616 1.00 65.53 H new ATOM 0 HE21 GLN A 19 9.746 0.959 7.494 1.00 71.04 H new ATOM 0 HE22 GLN A 19 11.263 1.815 7.195 1.00 71.04 H new ATOM 301 N GLY A 20 5.320 -0.401 8.123 1.00 74.34 N ATOM 302 CA GLY A 20 4.616 -0.580 9.415 1.00 12.13 C ATOM 303 C GLY A 20 3.153 -1.040 9.292 1.00 43.15 C ATOM 304 O GLY A 20 2.358 -0.838 10.213 1.00 12.34 O ATOM 0 H GLY A 20 5.930 -1.179 7.873 1.00 74.34 H new ATOM 0 HA2 GLY A 20 5.163 -1.309 10.013 1.00 12.13 H new ATOM 0 HA3 GLY A 20 4.641 0.363 9.961 1.00 12.13 H new ATOM 308 N LEU A 21 2.819 -1.677 8.155 1.00 51.41 N ATOM 309 CA LEU A 21 1.452 -2.195 7.855 1.00 73.04 C ATOM 310 C LEU A 21 1.035 -3.323 8.831 1.00 13.44 C ATOM 311 O LEU A 21 -0.141 -3.442 9.215 1.00 12.14 O ATOM 312 CB LEU A 21 1.404 -2.735 6.399 1.00 63.42 C ATOM 313 CG LEU A 21 1.674 -1.696 5.264 1.00 15.40 C ATOM 314 CD1 LEU A 21 1.857 -2.398 3.910 1.00 63.15 C ATOM 315 CD2 LEU A 21 0.546 -0.648 5.188 1.00 61.12 C ATOM 0 H LEU A 21 3.489 -1.853 7.406 1.00 51.41 H new ATOM 0 HA LEU A 21 0.753 -1.368 7.975 1.00 73.04 H new ATOM 0 HB2 LEU A 21 2.135 -3.538 6.308 1.00 63.42 H new ATOM 0 HB3 LEU A 21 0.422 -3.177 6.231 1.00 63.42 H new ATOM 0 HG LEU A 21 2.600 -1.174 5.505 1.00 15.40 H new ATOM 0 HD11 LEU A 21 2.044 -1.653 3.136 1.00 63.15 H new ATOM 0 HD12 LEU A 21 2.703 -3.082 3.967 1.00 63.15 H new ATOM 0 HD13 LEU A 21 0.954 -2.957 3.665 1.00 63.15 H new ATOM 0 HD21 LEU A 21 0.762 0.061 4.389 1.00 61.12 H new ATOM 0 HD22 LEU A 21 -0.401 -1.147 4.984 1.00 61.12 H new ATOM 0 HD23 LEU A 21 0.479 -0.116 6.137 1.00 61.12 H new ATOM 327 N GLY A 22 2.031 -4.125 9.234 1.00 5.33 N ATOM 328 CA GLY A 22 1.809 -5.383 9.947 1.00 45.33 C ATOM 329 C GLY A 22 2.024 -6.582 9.027 1.00 22.11 C ATOM 330 O GLY A 22 1.833 -6.468 7.819 1.00 53.31 O ATOM 0 H GLY A 22 3.016 -3.915 9.072 1.00 5.33 H new ATOM 0 HA2 GLY A 22 2.488 -5.447 10.798 1.00 45.33 H new ATOM 0 HA3 GLY A 22 0.795 -5.404 10.346 1.00 45.33 H new ATOM 334 N GLU A 23 2.418 -7.737 9.585 1.00 42.50 N ATOM 335 CA GLU A 23 2.688 -8.960 8.776 1.00 42.13 C ATOM 336 C GLU A 23 1.394 -9.728 8.406 1.00 14.51 C ATOM 337 O GLU A 23 1.441 -10.709 7.661 1.00 41.44 O ATOM 338 CB GLU A 23 3.688 -9.888 9.507 1.00 52.41 C ATOM 339 CG GLU A 23 3.225 -10.410 10.876 1.00 75.22 C ATOM 340 CD GLU A 23 4.265 -11.327 11.531 1.00 13.12 C ATOM 341 OE1 GLU A 23 5.239 -10.812 12.119 1.00 64.33 O ATOM 342 OE2 GLU A 23 4.147 -12.565 11.427 1.00 52.32 O ATOM 0 H GLU A 23 2.559 -7.861 10.588 1.00 42.50 H new ATOM 0 HA GLU A 23 3.135 -8.628 7.839 1.00 42.13 H new ATOM 0 HB2 GLU A 23 3.900 -10.742 8.865 1.00 52.41 H new ATOM 0 HB3 GLU A 23 4.626 -9.349 9.641 1.00 52.41 H new ATOM 0 HG2 GLU A 23 3.022 -9.566 11.535 1.00 75.22 H new ATOM 0 HG3 GLU A 23 2.288 -10.954 10.757 1.00 75.22 H new ATOM 349 N ASN A 24 0.243 -9.271 8.926 1.00 14.41 N ATOM 350 CA ASN A 24 -1.086 -9.846 8.593 1.00 40.53 C ATOM 351 C ASN A 24 -1.755 -9.052 7.420 1.00 21.34 C ATOM 352 O ASN A 24 -2.963 -9.166 7.178 1.00 52.30 O ATOM 353 CB ASN A 24 -1.971 -9.850 9.880 1.00 72.33 C ATOM 354 CG ASN A 24 -3.185 -10.786 9.811 1.00 54.32 C ATOM 355 OD1 ASN A 24 -3.166 -11.810 9.128 1.00 72.31 O ATOM 356 ND2 ASN A 24 -4.247 -10.448 10.517 1.00 25.42 N ATOM 0 H ASN A 24 0.199 -8.496 9.587 1.00 14.41 H new ATOM 0 HA ASN A 24 -0.972 -10.874 8.248 1.00 40.53 H new ATOM 0 HB2 ASN A 24 -1.353 -10.138 10.730 1.00 72.33 H new ATOM 0 HB3 ASN A 24 -2.320 -8.835 10.069 1.00 72.33 H new ATOM 0 HD21 ASN A 24 -5.077 -11.040 10.505 1.00 25.42 H new ATOM 0 HD22 ASN A 24 -4.238 -9.594 11.075 1.00 25.42 H new ATOM 363 N VAL A 25 -0.939 -8.270 6.674 1.00 21.23 N ATOM 364 CA VAL A 25 -1.394 -7.447 5.528 1.00 44.25 C ATOM 365 C VAL A 25 -1.669 -8.307 4.254 1.00 52.41 C ATOM 366 O VAL A 25 -0.957 -9.269 3.973 1.00 54.30 O ATOM 367 CB VAL A 25 -0.334 -6.310 5.206 1.00 24.43 C ATOM 368 CG1 VAL A 25 1.064 -6.883 4.847 1.00 73.12 C ATOM 369 CG2 VAL A 25 -0.836 -5.370 4.097 1.00 72.43 C ATOM 0 H VAL A 25 0.062 -8.192 6.852 1.00 21.23 H new ATOM 0 HA VAL A 25 -2.338 -6.986 5.818 1.00 44.25 H new ATOM 0 HB VAL A 25 -0.219 -5.731 6.122 1.00 24.43 H new ATOM 0 HG11 VAL A 25 1.750 -6.063 4.636 1.00 73.12 H new ATOM 0 HG12 VAL A 25 1.444 -7.467 5.685 1.00 73.12 H new ATOM 0 HG13 VAL A 25 0.981 -7.522 3.968 1.00 73.12 H new ATOM 0 HG21 VAL A 25 -0.086 -4.604 3.902 1.00 72.43 H new ATOM 0 HG22 VAL A 25 -1.014 -5.943 3.187 1.00 72.43 H new ATOM 0 HG23 VAL A 25 -1.765 -4.896 4.415 1.00 72.43 H new ATOM 379 N THR A 26 -2.744 -7.973 3.510 1.00 72.34 N ATOM 380 CA THR A 26 -3.026 -8.558 2.169 1.00 70.21 C ATOM 381 C THR A 26 -3.193 -7.437 1.123 1.00 24.10 C ATOM 382 O THR A 26 -3.499 -6.297 1.485 1.00 4.20 O ATOM 383 CB THR A 26 -4.323 -9.444 2.161 1.00 54.53 C ATOM 384 OG1 THR A 26 -5.486 -8.635 2.404 1.00 24.14 O ATOM 385 CG2 THR A 26 -4.261 -10.578 3.199 1.00 61.32 C ATOM 0 H THR A 26 -3.442 -7.294 3.814 1.00 72.34 H new ATOM 0 HA THR A 26 -2.175 -9.193 1.921 1.00 70.21 H new ATOM 0 HB THR A 26 -4.389 -9.898 1.172 1.00 54.53 H new ATOM 0 HG1 THR A 26 -6.286 -9.201 2.394 1.00 24.14 H new ATOM 0 HG21 THR A 26 -5.180 -11.162 3.155 1.00 61.32 H new ATOM 0 HG22 THR A 26 -3.410 -11.224 2.982 1.00 61.32 H new ATOM 0 HG23 THR A 26 -4.149 -10.153 4.196 1.00 61.32 H new ATOM 393 N ILE A 27 -3.008 -7.770 -0.173 1.00 41.23 N ATOM 394 CA ILE A 27 -3.232 -6.813 -1.293 1.00 53.21 C ATOM 395 C ILE A 27 -4.709 -6.304 -1.300 1.00 44.52 C ATOM 396 O ILE A 27 -4.966 -5.133 -1.598 1.00 72.12 O ATOM 397 CB ILE A 27 -2.861 -7.467 -2.682 1.00 64.42 C ATOM 398 CG1 ILE A 27 -1.358 -7.890 -2.707 1.00 12.32 C ATOM 399 CG2 ILE A 27 -3.199 -6.534 -3.876 1.00 54.42 C ATOM 400 CD1 ILE A 27 -0.896 -8.576 -3.987 1.00 12.43 C ATOM 0 H ILE A 27 -2.703 -8.695 -0.476 1.00 41.23 H new ATOM 0 HA ILE A 27 -2.575 -5.957 -1.138 1.00 53.21 H new ATOM 0 HB ILE A 27 -3.474 -8.361 -2.795 1.00 64.42 H new ATOM 0 HG12 ILE A 27 -0.745 -7.003 -2.548 1.00 12.32 H new ATOM 0 HG13 ILE A 27 -1.172 -8.560 -1.868 1.00 12.32 H new ATOM 0 HG21 ILE A 27 -2.927 -7.025 -4.810 1.00 54.42 H new ATOM 0 HG22 ILE A 27 -4.267 -6.318 -3.878 1.00 54.42 H new ATOM 0 HG23 ILE A 27 -2.640 -5.603 -3.780 1.00 54.42 H new ATOM 0 HD11 ILE A 27 0.161 -8.829 -3.903 1.00 12.43 H new ATOM 0 HD12 ILE A 27 -1.476 -9.486 -4.142 1.00 12.43 H new ATOM 0 HD13 ILE A 27 -1.042 -7.904 -4.833 1.00 12.43 H new ATOM 412 N GLU A 28 -5.658 -7.201 -0.921 1.00 53.33 N ATOM 413 CA GLU A 28 -7.089 -6.849 -0.717 1.00 73.34 C ATOM 414 C GLU A 28 -7.255 -5.777 0.389 1.00 23.43 C ATOM 415 O GLU A 28 -7.973 -4.792 0.204 1.00 54.41 O ATOM 416 CB GLU A 28 -7.920 -8.108 -0.334 1.00 35.01 C ATOM 417 CG GLU A 28 -7.964 -9.204 -1.411 1.00 25.01 C ATOM 418 CD GLU A 28 -8.844 -10.405 -1.021 1.00 10.24 C ATOM 419 OE1 GLU A 28 -10.061 -10.383 -1.300 1.00 70.50 O ATOM 420 OE2 GLU A 28 -8.329 -11.373 -0.423 1.00 62.14 O ATOM 0 H GLU A 28 -5.453 -8.185 -0.749 1.00 53.33 H new ATOM 0 HA GLU A 28 -7.457 -6.444 -1.660 1.00 73.34 H new ATOM 0 HB2 GLU A 28 -7.508 -8.534 0.581 1.00 35.01 H new ATOM 0 HB3 GLU A 28 -8.941 -7.798 -0.109 1.00 35.01 H new ATOM 0 HG2 GLU A 28 -8.338 -8.775 -2.341 1.00 25.01 H new ATOM 0 HG3 GLU A 28 -6.950 -9.553 -1.606 1.00 25.01 H new ATOM 427 N SER A 29 -6.563 -5.994 1.531 1.00 62.02 N ATOM 428 CA SER A 29 -6.577 -5.063 2.691 1.00 53.12 C ATOM 429 C SER A 29 -6.013 -3.681 2.320 1.00 11.11 C ATOM 430 O SER A 29 -6.575 -2.662 2.711 1.00 53.04 O ATOM 431 CB SER A 29 -5.770 -5.633 3.884 1.00 32.43 C ATOM 432 OG SER A 29 -6.326 -6.840 4.372 1.00 24.23 O ATOM 0 H SER A 29 -5.979 -6.817 1.678 1.00 62.02 H new ATOM 0 HA SER A 29 -7.621 -4.952 2.983 1.00 53.12 H new ATOM 0 HB2 SER A 29 -4.740 -5.808 3.574 1.00 32.43 H new ATOM 0 HB3 SER A 29 -5.741 -4.896 4.687 1.00 32.43 H new ATOM 0 HG SER A 29 -6.118 -7.570 3.752 1.00 24.23 H new ATOM 438 N VAL A 30 -4.894 -3.668 1.563 1.00 43.31 N ATOM 439 CA VAL A 30 -4.235 -2.414 1.124 1.00 41.01 C ATOM 440 C VAL A 30 -5.143 -1.635 0.146 1.00 4.20 C ATOM 441 O VAL A 30 -5.333 -0.429 0.282 1.00 41.43 O ATOM 442 CB VAL A 30 -2.842 -2.687 0.445 1.00 42.54 C ATOM 443 CG1 VAL A 30 -2.147 -1.368 0.062 1.00 75.25 C ATOM 444 CG2 VAL A 30 -1.919 -3.525 1.347 1.00 3.21 C ATOM 0 H VAL A 30 -4.425 -4.515 1.241 1.00 43.31 H new ATOM 0 HA VAL A 30 -4.064 -1.815 2.018 1.00 41.01 H new ATOM 0 HB VAL A 30 -3.038 -3.260 -0.462 1.00 42.54 H new ATOM 0 HG11 VAL A 30 -1.186 -1.585 -0.405 1.00 75.25 H new ATOM 0 HG12 VAL A 30 -2.774 -0.816 -0.638 1.00 75.25 H new ATOM 0 HG13 VAL A 30 -1.987 -0.768 0.958 1.00 75.25 H new ATOM 0 HG21 VAL A 30 -0.968 -3.691 0.841 1.00 3.21 H new ATOM 0 HG22 VAL A 30 -1.744 -2.994 2.283 1.00 3.21 H new ATOM 0 HG23 VAL A 30 -2.390 -4.485 1.558 1.00 3.21 H new ATOM 454 N ALA A 31 -5.714 -2.363 -0.819 1.00 33.31 N ATOM 455 CA ALA A 31 -6.632 -1.798 -1.823 1.00 22.14 C ATOM 456 C ALA A 31 -7.936 -1.267 -1.182 1.00 24.05 C ATOM 457 O ALA A 31 -8.486 -0.278 -1.639 1.00 20.13 O ATOM 458 CB ALA A 31 -6.935 -2.846 -2.896 1.00 43.05 C ATOM 0 H ALA A 31 -5.554 -3.364 -0.929 1.00 33.31 H new ATOM 0 HA ALA A 31 -6.140 -0.944 -2.288 1.00 22.14 H new ATOM 0 HB1 ALA A 31 -7.614 -2.423 -3.636 1.00 43.05 H new ATOM 0 HB2 ALA A 31 -6.008 -3.146 -3.384 1.00 43.05 H new ATOM 0 HB3 ALA A 31 -7.399 -3.717 -2.433 1.00 43.05 H new ATOM 464 N ASP A 32 -8.402 -1.937 -0.109 1.00 62.00 N ATOM 465 CA ASP A 32 -9.614 -1.526 0.646 1.00 71.53 C ATOM 466 C ASP A 32 -9.330 -0.305 1.566 1.00 12.12 C ATOM 467 O ASP A 32 -10.206 0.527 1.797 1.00 31.43 O ATOM 468 CB ASP A 32 -10.140 -2.729 1.475 1.00 45.40 C ATOM 469 CG ASP A 32 -11.429 -2.426 2.261 1.00 23.40 C ATOM 470 OD1 ASP A 32 -12.527 -2.483 1.669 1.00 0.34 O ATOM 471 OD2 ASP A 32 -11.346 -2.106 3.467 1.00 61.51 O ATOM 0 H ASP A 32 -7.955 -2.775 0.261 1.00 62.00 H new ATOM 0 HA ASP A 32 -10.377 -1.218 -0.069 1.00 71.53 H new ATOM 0 HB2 ASP A 32 -10.324 -3.568 0.804 1.00 45.40 H new ATOM 0 HB3 ASP A 32 -9.365 -3.043 2.174 1.00 45.40 H new ATOM 476 N TYR A 33 -8.109 -0.234 2.103 1.00 3.25 N ATOM 477 CA TYR A 33 -7.679 0.850 3.017 1.00 11.12 C ATOM 478 C TYR A 33 -7.426 2.172 2.248 1.00 44.23 C ATOM 479 O TYR A 33 -7.992 3.210 2.577 1.00 74.34 O ATOM 480 CB TYR A 33 -6.401 0.371 3.750 1.00 2.22 C ATOM 481 CG TYR A 33 -5.900 1.256 4.902 1.00 54.31 C ATOM 482 CD1 TYR A 33 -6.460 1.169 6.179 1.00 13.41 C ATOM 483 CD2 TYR A 33 -4.828 2.132 4.730 1.00 2.01 C ATOM 484 CE1 TYR A 33 -5.978 1.936 7.225 1.00 24.41 C ATOM 485 CE2 TYR A 33 -4.339 2.883 5.771 1.00 62.52 C ATOM 486 CZ TYR A 33 -4.912 2.786 7.016 1.00 33.21 C ATOM 487 OH TYR A 33 -4.411 3.538 8.057 1.00 71.24 O ATOM 0 H TYR A 33 -7.381 -0.925 1.921 1.00 3.25 H new ATOM 0 HA TYR A 33 -8.467 1.062 3.739 1.00 11.12 H new ATOM 0 HB2 TYR A 33 -6.587 -0.628 4.143 1.00 2.22 H new ATOM 0 HB3 TYR A 33 -5.600 0.280 3.016 1.00 2.22 H new ATOM 0 HD1 TYR A 33 -7.283 0.492 6.353 1.00 13.41 H new ATOM 0 HD2 TYR A 33 -4.372 2.222 3.755 1.00 2.01 H new ATOM 0 HE1 TYR A 33 -6.435 1.869 8.201 1.00 24.41 H new ATOM 0 HE2 TYR A 33 -3.504 3.549 5.611 1.00 62.52 H new ATOM 0 HH TYR A 33 -4.546 3.059 8.901 1.00 71.24 H new ATOM 497 N PHE A 34 -6.586 2.096 1.207 1.00 72.31 N ATOM 498 CA PHE A 34 -6.128 3.271 0.427 1.00 20.54 C ATOM 499 C PHE A 34 -7.176 3.785 -0.607 1.00 13.40 C ATOM 500 O PHE A 34 -7.054 4.923 -1.074 1.00 25.34 O ATOM 501 CB PHE A 34 -4.779 2.940 -0.274 1.00 71.22 C ATOM 502 CG PHE A 34 -3.573 2.809 0.671 1.00 24.32 C ATOM 503 CD1 PHE A 34 -3.394 1.681 1.471 1.00 43.43 C ATOM 504 CD2 PHE A 34 -2.628 3.829 0.774 1.00 34.33 C ATOM 505 CE1 PHE A 34 -2.313 1.570 2.327 1.00 32.32 C ATOM 506 CE2 PHE A 34 -1.549 3.716 1.631 1.00 54.21 C ATOM 507 CZ PHE A 34 -1.401 2.590 2.414 1.00 33.43 C ATOM 0 H PHE A 34 -6.198 1.214 0.874 1.00 72.31 H new ATOM 0 HA PHE A 34 -5.990 4.087 1.137 1.00 20.54 H new ATOM 0 HB2 PHE A 34 -4.893 2.007 -0.826 1.00 71.22 H new ATOM 0 HB3 PHE A 34 -4.566 3.719 -1.006 1.00 71.22 H new ATOM 0 HD1 PHE A 34 -4.114 0.878 1.421 1.00 43.43 H new ATOM 0 HD2 PHE A 34 -2.741 4.721 0.175 1.00 34.33 H new ATOM 0 HE1 PHE A 34 -2.188 0.680 2.926 1.00 32.32 H new ATOM 0 HE2 PHE A 34 -0.820 4.511 1.688 1.00 54.21 H new ATOM 0 HZ PHE A 34 -0.567 2.512 3.095 1.00 33.43 H new ATOM 517 N LYS A 35 -8.189 2.957 -0.960 1.00 50.22 N ATOM 518 CA LYS A 35 -9.243 3.348 -1.950 1.00 73.32 C ATOM 519 C LYS A 35 -10.030 4.624 -1.546 1.00 51.44 C ATOM 520 O LYS A 35 -10.515 5.352 -2.416 1.00 35.35 O ATOM 521 CB LYS A 35 -10.248 2.191 -2.185 1.00 74.42 C ATOM 522 CG LYS A 35 -11.150 1.863 -0.977 1.00 15.33 C ATOM 523 CD LYS A 35 -12.138 0.705 -1.245 1.00 25.23 C ATOM 524 CE LYS A 35 -13.063 0.446 -0.045 1.00 41.22 C ATOM 525 NZ LYS A 35 -13.952 -0.716 -0.263 1.00 72.35 N ATOM 0 H LYS A 35 -8.305 2.017 -0.581 1.00 50.22 H new ATOM 0 HA LYS A 35 -8.703 3.570 -2.870 1.00 73.32 H new ATOM 0 HB2 LYS A 35 -10.881 2.445 -3.035 1.00 74.42 H new ATOM 0 HB3 LYS A 35 -9.691 1.295 -2.459 1.00 74.42 H new ATOM 0 HG2 LYS A 35 -10.522 1.605 -0.124 1.00 15.33 H new ATOM 0 HG3 LYS A 35 -11.713 2.755 -0.701 1.00 15.33 H new ATOM 0 HD2 LYS A 35 -12.740 0.939 -2.123 1.00 25.23 H new ATOM 0 HD3 LYS A 35 -11.579 -0.202 -1.474 1.00 25.23 H new ATOM 0 HE2 LYS A 35 -12.459 0.277 0.847 1.00 41.22 H new ATOM 0 HE3 LYS A 35 -13.668 1.333 0.143 1.00 41.22 H new ATOM 0 HZ1 LYS A 35 -14.928 -0.458 -0.014 1.00 72.35 H new ATOM 0 HZ2 LYS A 35 -13.913 -1.000 -1.263 1.00 72.35 H new ATOM 0 HZ3 LYS A 35 -13.640 -1.508 0.334 1.00 72.35 H new ATOM 539 N GLN A 36 -10.150 4.880 -0.225 1.00 63.23 N ATOM 540 CA GLN A 36 -10.884 6.053 0.322 1.00 31.11 C ATOM 541 C GLN A 36 -10.281 7.404 -0.157 1.00 11.52 C ATOM 542 O GLN A 36 -10.958 8.434 -0.157 1.00 11.53 O ATOM 543 CB GLN A 36 -10.885 5.993 1.873 1.00 35.21 C ATOM 544 CG GLN A 36 -9.491 6.105 2.518 1.00 25.44 C ATOM 545 CD GLN A 36 -9.510 6.020 4.044 1.00 43.23 C ATOM 546 OE1 GLN A 36 -9.608 7.025 4.736 1.00 12.40 O ATOM 547 NE2 GLN A 36 -9.420 4.818 4.582 1.00 12.12 N ATOM 0 H GLN A 36 -9.743 4.283 0.495 1.00 63.23 H new ATOM 0 HA GLN A 36 -11.906 6.005 -0.054 1.00 31.11 H new ATOM 0 HB2 GLN A 36 -11.514 6.798 2.255 1.00 35.21 H new ATOM 0 HB3 GLN A 36 -11.342 5.055 2.187 1.00 35.21 H new ATOM 0 HG2 GLN A 36 -8.855 5.311 2.127 1.00 25.44 H new ATOM 0 HG3 GLN A 36 -9.038 7.051 2.221 1.00 25.44 H new ATOM 0 HE21 GLN A 36 -9.339 3.996 3.983 1.00 12.12 H new ATOM 0 HE22 GLN A 36 -9.431 4.711 5.596 1.00 12.12 H new ATOM 556 N ILE A 37 -8.997 7.371 -0.549 1.00 61.23 N ATOM 557 CA ILE A 37 -8.260 8.540 -1.069 1.00 73.25 C ATOM 558 C ILE A 37 -8.572 8.774 -2.566 1.00 30.15 C ATOM 559 O ILE A 37 -8.745 9.914 -3.009 1.00 44.35 O ATOM 560 CB ILE A 37 -6.714 8.331 -0.857 1.00 22.42 C ATOM 561 CG1 ILE A 37 -6.394 8.104 0.649 1.00 34.55 C ATOM 562 CG2 ILE A 37 -5.890 9.501 -1.423 1.00 23.24 C ATOM 563 CD1 ILE A 37 -6.784 9.238 1.580 1.00 61.43 C ATOM 0 H ILE A 37 -8.432 6.522 -0.514 1.00 61.23 H new ATOM 0 HA ILE A 37 -8.582 9.424 -0.519 1.00 73.25 H new ATOM 0 HB ILE A 37 -6.426 7.439 -1.413 1.00 22.42 H new ATOM 0 HG12 ILE A 37 -6.902 7.197 0.977 1.00 34.55 H new ATOM 0 HG13 ILE A 37 -5.324 7.925 0.752 1.00 34.55 H new ATOM 0 HG21 ILE A 37 -4.829 9.314 -1.255 1.00 23.24 H new ATOM 0 HG22 ILE A 37 -6.077 9.593 -2.493 1.00 23.24 H new ATOM 0 HG23 ILE A 37 -6.179 10.425 -0.923 1.00 23.24 H new ATOM 0 HD11 ILE A 37 -6.517 8.976 2.604 1.00 61.43 H new ATOM 0 HD12 ILE A 37 -6.256 10.146 1.288 1.00 61.43 H new ATOM 0 HD13 ILE A 37 -7.859 9.407 1.517 1.00 61.43 H new ATOM 575 N GLY A 38 -8.641 7.678 -3.329 1.00 71.52 N ATOM 576 CA GLY A 38 -8.943 7.745 -4.761 1.00 3.51 C ATOM 577 C GLY A 38 -8.859 6.395 -5.454 1.00 22.20 C ATOM 578 O GLY A 38 -8.731 5.353 -4.795 1.00 43.42 O ATOM 0 H GLY A 38 -8.491 6.732 -2.977 1.00 71.52 H new ATOM 0 HA2 GLY A 38 -9.944 8.154 -4.896 1.00 3.51 H new ATOM 0 HA3 GLY A 38 -8.249 8.436 -5.240 1.00 3.51 H new ATOM 582 N ILE A 39 -8.953 6.417 -6.793 1.00 32.30 N ATOM 583 CA ILE A 39 -8.832 5.206 -7.629 1.00 35.32 C ATOM 584 C ILE A 39 -7.382 4.659 -7.575 1.00 21.53 C ATOM 585 O ILE A 39 -6.419 5.405 -7.774 1.00 42.30 O ATOM 586 CB ILE A 39 -9.242 5.489 -9.134 1.00 41.51 C ATOM 587 CG1 ILE A 39 -10.676 6.109 -9.209 1.00 35.42 C ATOM 588 CG2 ILE A 39 -9.144 4.201 -10.003 1.00 43.10 C ATOM 589 CD1 ILE A 39 -11.142 6.496 -10.611 1.00 44.53 C ATOM 0 H ILE A 39 -9.114 7.270 -7.328 1.00 32.30 H new ATOM 0 HA ILE A 39 -9.518 4.461 -7.227 1.00 35.32 H new ATOM 0 HB ILE A 39 -8.536 6.212 -9.541 1.00 41.51 H new ATOM 0 HG12 ILE A 39 -11.386 5.395 -8.791 1.00 35.42 H new ATOM 0 HG13 ILE A 39 -10.705 6.996 -8.576 1.00 35.42 H new ATOM 0 HG21 ILE A 39 -9.432 4.431 -11.029 1.00 43.10 H new ATOM 0 HG22 ILE A 39 -8.119 3.829 -9.989 1.00 43.10 H new ATOM 0 HG23 ILE A 39 -9.812 3.439 -9.601 1.00 43.10 H new ATOM 0 HD11 ILE A 39 -12.146 6.916 -10.558 1.00 44.53 H new ATOM 0 HD12 ILE A 39 -10.461 7.237 -11.029 1.00 44.53 H new ATOM 0 HD13 ILE A 39 -11.152 5.612 -11.248 1.00 44.53 H new ATOM 601 N ILE A 40 -7.256 3.371 -7.248 1.00 11.22 N ATOM 602 CA ILE A 40 -5.987 2.620 -7.313 1.00 44.13 C ATOM 603 C ILE A 40 -5.904 1.889 -8.677 1.00 3.14 C ATOM 604 O ILE A 40 -6.909 1.344 -9.156 1.00 0.01 O ATOM 605 CB ILE A 40 -5.893 1.592 -6.111 1.00 12.22 C ATOM 606 CG1 ILE A 40 -5.951 2.355 -4.743 1.00 61.32 C ATOM 607 CG2 ILE A 40 -4.622 0.698 -6.199 1.00 24.45 C ATOM 608 CD1 ILE A 40 -5.976 1.462 -3.513 1.00 13.22 C ATOM 0 H ILE A 40 -8.041 2.806 -6.925 1.00 11.22 H new ATOM 0 HA ILE A 40 -5.146 3.308 -7.226 1.00 44.13 H new ATOM 0 HB ILE A 40 -6.751 0.923 -6.180 1.00 12.22 H new ATOM 0 HG12 ILE A 40 -5.088 3.017 -4.676 1.00 61.32 H new ATOM 0 HG13 ILE A 40 -6.839 2.987 -4.733 1.00 61.32 H new ATOM 0 HG21 ILE A 40 -4.602 0.010 -5.354 1.00 24.45 H new ATOM 0 HG22 ILE A 40 -4.640 0.130 -7.129 1.00 24.45 H new ATOM 0 HG23 ILE A 40 -3.732 1.327 -6.176 1.00 24.45 H new ATOM 0 HD11 ILE A 40 -6.016 2.080 -2.616 1.00 13.22 H new ATOM 0 HD12 ILE A 40 -6.854 0.817 -3.549 1.00 13.22 H new ATOM 0 HD13 ILE A 40 -5.076 0.848 -3.491 1.00 13.22 H new ATOM 620 N LYS A 41 -4.721 1.922 -9.319 1.00 4.03 N ATOM 621 CA LYS A 41 -4.468 1.164 -10.560 1.00 20.13 C ATOM 622 C LYS A 41 -4.671 -0.348 -10.355 1.00 70.11 C ATOM 623 O LYS A 41 -4.421 -0.891 -9.280 1.00 22.44 O ATOM 624 CB LYS A 41 -3.042 1.442 -11.105 1.00 33.45 C ATOM 625 CG LYS A 41 -2.868 2.855 -11.674 1.00 30.01 C ATOM 626 CD LYS A 41 -1.433 3.163 -12.158 1.00 14.22 C ATOM 627 CE LYS A 41 -1.019 2.323 -13.379 1.00 51.43 C ATOM 628 NZ LYS A 41 0.318 2.711 -13.899 1.00 15.14 N ATOM 0 H LYS A 41 -3.922 2.468 -8.997 1.00 4.03 H new ATOM 0 HA LYS A 41 -5.196 1.506 -11.296 1.00 20.13 H new ATOM 0 HB2 LYS A 41 -2.320 1.291 -10.303 1.00 33.45 H new ATOM 0 HB3 LYS A 41 -2.811 0.715 -11.883 1.00 33.45 H new ATOM 0 HG2 LYS A 41 -3.558 2.988 -12.507 1.00 30.01 H new ATOM 0 HG3 LYS A 41 -3.147 3.581 -10.910 1.00 30.01 H new ATOM 0 HD2 LYS A 41 -1.359 4.221 -12.409 1.00 14.22 H new ATOM 0 HD3 LYS A 41 -0.733 2.979 -11.343 1.00 14.22 H new ATOM 0 HE2 LYS A 41 -1.009 1.268 -13.106 1.00 51.43 H new ATOM 0 HE3 LYS A 41 -1.762 2.441 -14.168 1.00 51.43 H new ATOM 0 HZ1 LYS A 41 0.556 2.120 -14.721 1.00 15.14 H new ATOM 0 HZ2 LYS A 41 0.303 3.711 -14.185 1.00 15.14 H new ATOM 0 HZ3 LYS A 41 1.033 2.575 -13.156 1.00 15.14 H new ATOM 642 N THR A 42 -5.148 -0.991 -11.410 1.00 33.41 N ATOM 643 CA THR A 42 -5.433 -2.436 -11.439 1.00 54.34 C ATOM 644 C THR A 42 -4.768 -3.066 -12.667 1.00 21.42 C ATOM 645 O THR A 42 -4.960 -2.587 -13.793 1.00 34.41 O ATOM 646 CB THR A 42 -6.975 -2.710 -11.485 1.00 74.52 C ATOM 647 OG1 THR A 42 -7.618 -2.049 -10.382 1.00 35.22 O ATOM 648 CG2 THR A 42 -7.315 -4.214 -11.442 1.00 52.35 C ATOM 0 H THR A 42 -5.355 -0.523 -12.292 1.00 33.41 H new ATOM 0 HA THR A 42 -5.032 -2.880 -10.528 1.00 54.34 H new ATOM 0 HB THR A 42 -7.340 -2.318 -12.435 1.00 74.52 H new ATOM 0 HG1 THR A 42 -8.582 -2.221 -10.415 1.00 35.22 H new ATOM 0 HG21 THR A 42 -8.397 -4.344 -11.477 1.00 52.35 H new ATOM 0 HG22 THR A 42 -6.862 -4.714 -12.298 1.00 52.35 H new ATOM 0 HG23 THR A 42 -6.927 -4.649 -10.521 1.00 52.35 H new ATOM 656 N ASN A 43 -3.948 -4.104 -12.429 1.00 53.34 N ATOM 657 CA ASN A 43 -3.395 -4.959 -13.490 1.00 45.44 C ATOM 658 C ASN A 43 -4.562 -5.572 -14.307 1.00 23.34 C ATOM 659 O ASN A 43 -5.285 -6.429 -13.810 1.00 33.14 O ATOM 660 CB ASN A 43 -2.501 -6.060 -12.847 1.00 41.42 C ATOM 661 CG ASN A 43 -1.700 -6.910 -13.840 1.00 3.44 C ATOM 662 OD1 ASN A 43 -2.069 -7.072 -14.998 1.00 25.22 O ATOM 663 ND2 ASN A 43 -0.604 -7.497 -13.380 1.00 43.21 N ATOM 0 H ASN A 43 -3.650 -4.373 -11.491 1.00 53.34 H new ATOM 0 HA ASN A 43 -2.774 -4.376 -14.170 1.00 45.44 H new ATOM 0 HB2 ASN A 43 -1.805 -5.584 -12.157 1.00 41.42 H new ATOM 0 HB3 ASN A 43 -3.135 -6.721 -12.255 1.00 41.42 H new ATOM 0 HD21 ASN A 43 -0.051 -8.096 -13.993 1.00 43.21 H new ATOM 0 HD22 ASN A 43 -0.314 -7.349 -12.413 1.00 43.21 H new ATOM 670 N LYS A 44 -4.743 -5.078 -15.543 1.00 73.52 N ATOM 671 CA LYS A 44 -5.855 -5.472 -16.438 1.00 11.45 C ATOM 672 C LYS A 44 -5.749 -6.945 -16.918 1.00 73.45 C ATOM 673 O LYS A 44 -6.740 -7.531 -17.367 1.00 32.54 O ATOM 674 CB LYS A 44 -5.898 -4.509 -17.656 1.00 14.12 C ATOM 675 CG LYS A 44 -6.151 -3.028 -17.290 1.00 53.21 C ATOM 676 CD LYS A 44 -6.166 -2.094 -18.527 1.00 63.33 C ATOM 677 CE LYS A 44 -7.270 -2.458 -19.544 1.00 13.52 C ATOM 678 NZ LYS A 44 -7.287 -1.540 -20.713 1.00 44.22 N ATOM 0 H LYS A 44 -4.118 -4.387 -15.957 1.00 73.52 H new ATOM 0 HA LYS A 44 -6.780 -5.399 -15.867 1.00 11.45 H new ATOM 0 HB2 LYS A 44 -4.953 -4.581 -18.195 1.00 14.12 H new ATOM 0 HB3 LYS A 44 -6.680 -4.841 -18.339 1.00 14.12 H new ATOM 0 HG2 LYS A 44 -7.104 -2.946 -16.768 1.00 53.21 H new ATOM 0 HG3 LYS A 44 -5.378 -2.693 -16.598 1.00 53.21 H new ATOM 0 HD2 LYS A 44 -6.309 -1.065 -18.197 1.00 63.33 H new ATOM 0 HD3 LYS A 44 -5.195 -2.139 -19.021 1.00 63.33 H new ATOM 0 HE2 LYS A 44 -7.119 -3.480 -19.890 1.00 13.52 H new ATOM 0 HE3 LYS A 44 -8.241 -2.430 -19.049 1.00 13.52 H new ATOM 0 HZ1 LYS A 44 -8.044 -1.825 -21.367 1.00 44.22 H new ATOM 0 HZ2 LYS A 44 -7.458 -0.567 -20.388 1.00 44.22 H new ATOM 0 HZ3 LYS A 44 -6.371 -1.585 -21.203 1.00 44.22 H new ATOM 692 N LYS A 45 -4.539 -7.521 -16.824 1.00 22.14 N ATOM 693 CA LYS A 45 -4.270 -8.923 -17.216 1.00 42.34 C ATOM 694 C LYS A 45 -4.743 -9.920 -16.131 1.00 34.03 C ATOM 695 O LYS A 45 -5.429 -10.900 -16.432 1.00 73.24 O ATOM 696 CB LYS A 45 -2.754 -9.101 -17.499 1.00 2.21 C ATOM 697 CG LYS A 45 -2.213 -8.244 -18.671 1.00 35.33 C ATOM 698 CD LYS A 45 -2.809 -8.651 -20.046 1.00 54.51 C ATOM 699 CE LYS A 45 -2.428 -10.086 -20.465 1.00 74.33 C ATOM 700 NZ LYS A 45 -3.064 -10.482 -21.745 1.00 23.24 N ATOM 0 H LYS A 45 -3.716 -7.031 -16.474 1.00 22.14 H new ATOM 0 HA LYS A 45 -4.836 -9.141 -18.122 1.00 42.34 H new ATOM 0 HB2 LYS A 45 -2.197 -8.851 -16.596 1.00 2.21 H new ATOM 0 HB3 LYS A 45 -2.558 -10.152 -17.714 1.00 2.21 H new ATOM 0 HG2 LYS A 45 -2.437 -7.195 -18.480 1.00 35.33 H new ATOM 0 HG3 LYS A 45 -1.128 -8.336 -18.710 1.00 35.33 H new ATOM 0 HD2 LYS A 45 -3.895 -8.566 -20.005 1.00 54.51 H new ATOM 0 HD3 LYS A 45 -2.463 -7.952 -20.807 1.00 54.51 H new ATOM 0 HE2 LYS A 45 -1.345 -10.159 -20.561 1.00 74.33 H new ATOM 0 HE3 LYS A 45 -2.726 -10.783 -19.682 1.00 74.33 H new ATOM 0 HZ1 LYS A 45 -2.780 -11.453 -21.988 1.00 23.24 H new ATOM 0 HZ2 LYS A 45 -4.098 -10.438 -21.647 1.00 23.24 H new ATOM 0 HZ3 LYS A 45 -2.760 -9.834 -22.499 1.00 23.24 H new ATOM 714 N THR A 46 -4.367 -9.652 -14.869 1.00 31.43 N ATOM 715 CA THR A 46 -4.703 -10.529 -13.714 1.00 73.45 C ATOM 716 C THR A 46 -6.102 -10.210 -13.138 1.00 75.14 C ATOM 717 O THR A 46 -6.853 -11.110 -12.765 1.00 51.44 O ATOM 718 CB THR A 46 -3.648 -10.377 -12.569 1.00 34.10 C ATOM 719 OG1 THR A 46 -3.684 -9.039 -12.048 1.00 22.41 O ATOM 720 CG2 THR A 46 -2.219 -10.696 -13.052 1.00 22.55 C ATOM 0 H THR A 46 -3.824 -8.828 -14.612 1.00 31.43 H new ATOM 0 HA THR A 46 -4.698 -11.552 -14.091 1.00 73.45 H new ATOM 0 HB THR A 46 -3.908 -11.094 -11.790 1.00 34.10 H new ATOM 0 HG1 THR A 46 -2.923 -8.902 -11.447 1.00 22.41 H new ATOM 0 HG21 THR A 46 -1.520 -10.577 -12.224 1.00 22.55 H new ATOM 0 HG22 THR A 46 -2.179 -11.722 -13.417 1.00 22.55 H new ATOM 0 HG23 THR A 46 -1.946 -10.014 -13.857 1.00 22.55 H new ATOM 728 N GLY A 47 -6.438 -8.911 -13.098 1.00 0.32 N ATOM 729 CA GLY A 47 -7.658 -8.410 -12.433 1.00 40.24 C ATOM 730 C GLY A 47 -7.393 -7.926 -10.994 1.00 23.43 C ATOM 731 O GLY A 47 -8.319 -7.528 -10.282 1.00 42.11 O ATOM 0 H GLY A 47 -5.874 -8.176 -13.525 1.00 0.32 H new ATOM 0 HA2 GLY A 47 -8.075 -7.590 -13.017 1.00 40.24 H new ATOM 0 HA3 GLY A 47 -8.408 -9.201 -12.414 1.00 40.24 H new ATOM 735 N GLN A 48 -6.117 -7.970 -10.570 1.00 45.34 N ATOM 736 CA GLN A 48 -5.681 -7.580 -9.208 1.00 21.01 C ATOM 737 C GLN A 48 -5.103 -6.143 -9.179 1.00 64.44 C ATOM 738 O GLN A 48 -4.441 -5.726 -10.133 1.00 55.24 O ATOM 739 CB GLN A 48 -4.627 -8.604 -8.700 1.00 65.24 C ATOM 740 CG GLN A 48 -5.198 -10.008 -8.442 1.00 13.51 C ATOM 741 CD GLN A 48 -6.148 -10.065 -7.240 1.00 65.41 C ATOM 742 OE1 GLN A 48 -5.738 -10.336 -6.122 1.00 62.23 O ATOM 743 NE2 GLN A 48 -7.421 -9.792 -7.460 1.00 21.10 N ATOM 0 H GLN A 48 -5.349 -8.280 -11.165 1.00 45.34 H new ATOM 0 HA GLN A 48 -6.550 -7.587 -8.550 1.00 21.01 H new ATOM 0 HB2 GLN A 48 -3.824 -8.678 -9.433 1.00 65.24 H new ATOM 0 HB3 GLN A 48 -4.184 -8.228 -7.778 1.00 65.24 H new ATOM 0 HG2 GLN A 48 -5.729 -10.346 -9.332 1.00 13.51 H new ATOM 0 HG3 GLN A 48 -4.375 -10.703 -8.279 1.00 13.51 H new ATOM 0 HE21 GLN A 48 -7.739 -9.569 -8.403 1.00 21.10 H new ATOM 0 HE22 GLN A 48 -8.086 -9.805 -6.687 1.00 21.10 H new ATOM 752 N PRO A 49 -5.338 -5.362 -8.072 1.00 65.24 N ATOM 753 CA PRO A 49 -4.797 -3.985 -7.927 1.00 50.32 C ATOM 754 C PRO A 49 -3.252 -3.982 -7.821 1.00 65.52 C ATOM 755 O PRO A 49 -2.670 -4.842 -7.143 1.00 1.22 O ATOM 756 CB PRO A 49 -5.469 -3.463 -6.631 1.00 10.10 C ATOM 757 CG PRO A 49 -5.837 -4.696 -5.856 1.00 2.15 C ATOM 758 CD PRO A 49 -6.130 -5.774 -6.879 1.00 64.43 C ATOM 0 HA PRO A 49 -5.011 -3.356 -8.791 1.00 50.32 H new ATOM 0 HB2 PRO A 49 -4.789 -2.829 -6.063 1.00 10.10 H new ATOM 0 HB3 PRO A 49 -6.350 -2.863 -6.858 1.00 10.10 H new ATOM 0 HG2 PRO A 49 -5.023 -4.997 -5.197 1.00 2.15 H new ATOM 0 HG3 PRO A 49 -6.707 -4.513 -5.225 1.00 2.15 H new ATOM 0 HD2 PRO A 49 -5.828 -6.758 -6.520 1.00 64.43 H new ATOM 0 HD3 PRO A 49 -7.195 -5.830 -7.106 1.00 64.43 H new ATOM 766 N MET A 50 -2.601 -3.001 -8.487 1.00 34.01 N ATOM 767 CA MET A 50 -1.131 -2.941 -8.558 1.00 51.53 C ATOM 768 C MET A 50 -0.565 -2.511 -7.191 1.00 2.54 C ATOM 769 O MET A 50 -0.444 -1.315 -6.883 1.00 64.35 O ATOM 770 CB MET A 50 -0.674 -1.958 -9.671 1.00 51.24 C ATOM 771 CG MET A 50 -1.170 -2.293 -11.069 1.00 73.25 C ATOM 772 SD MET A 50 -0.575 -1.102 -12.291 1.00 62.15 S ATOM 773 CE MET A 50 -1.677 -1.426 -13.660 1.00 5.24 C ATOM 0 H MET A 50 -3.073 -2.244 -8.981 1.00 34.01 H new ATOM 0 HA MET A 50 -0.749 -3.931 -8.807 1.00 51.53 H new ATOM 0 HB2 MET A 50 -1.015 -0.956 -9.412 1.00 51.24 H new ATOM 0 HB3 MET A 50 0.416 -1.931 -9.685 1.00 51.24 H new ATOM 0 HG2 MET A 50 -0.837 -3.294 -11.344 1.00 73.25 H new ATOM 0 HG3 MET A 50 -2.260 -2.307 -11.075 1.00 73.25 H new ATOM 0 HE1 MET A 50 -1.442 -0.752 -14.484 1.00 5.24 H new ATOM 0 HE2 MET A 50 -1.555 -2.458 -13.989 1.00 5.24 H new ATOM 0 HE3 MET A 50 -2.708 -1.266 -13.343 1.00 5.24 H new ATOM 783 N ILE A 51 -0.229 -3.531 -6.381 1.00 43.33 N ATOM 784 CA ILE A 51 0.283 -3.384 -5.002 1.00 4.41 C ATOM 785 C ILE A 51 1.275 -4.530 -4.721 1.00 62.01 C ATOM 786 O ILE A 51 0.891 -5.706 -4.788 1.00 34.42 O ATOM 787 CB ILE A 51 -0.876 -3.423 -3.911 1.00 53.33 C ATOM 788 CG1 ILE A 51 -1.913 -2.274 -4.134 1.00 74.51 C ATOM 789 CG2 ILE A 51 -0.296 -3.375 -2.467 1.00 20.02 C ATOM 790 CD1 ILE A 51 -3.199 -2.400 -3.340 1.00 12.43 C ATOM 0 H ILE A 51 -0.307 -4.505 -6.672 1.00 43.33 H new ATOM 0 HA ILE A 51 0.767 -2.410 -4.929 1.00 4.41 H new ATOM 0 HB ILE A 51 -1.401 -4.371 -4.031 1.00 53.33 H new ATOM 0 HG12 ILE A 51 -1.440 -1.325 -3.880 1.00 74.51 H new ATOM 0 HG13 ILE A 51 -2.162 -2.232 -5.194 1.00 74.51 H new ATOM 0 HG21 ILE A 51 -1.113 -3.403 -1.746 1.00 20.02 H new ATOM 0 HG22 ILE A 51 0.358 -4.233 -2.309 1.00 20.02 H new ATOM 0 HG23 ILE A 51 0.274 -2.455 -2.334 1.00 20.02 H new ATOM 0 HD11 ILE A 51 -3.850 -1.555 -3.565 1.00 12.43 H new ATOM 0 HD12 ILE A 51 -3.703 -3.328 -3.609 1.00 12.43 H new ATOM 0 HD13 ILE A 51 -2.970 -2.407 -2.274 1.00 12.43 H new ATOM 802 N ASN A 52 2.539 -4.203 -4.401 1.00 21.02 N ATOM 803 CA ASN A 52 3.587 -5.224 -4.152 1.00 71.22 C ATOM 804 C ASN A 52 3.915 -5.287 -2.650 1.00 11.20 C ATOM 805 O ASN A 52 4.478 -4.335 -2.100 1.00 65.55 O ATOM 806 CB ASN A 52 4.872 -4.923 -4.969 1.00 41.44 C ATOM 807 CG ASN A 52 4.604 -4.835 -6.468 1.00 44.41 C ATOM 808 OD1 ASN A 52 4.373 -3.762 -7.006 1.00 2.42 O ATOM 809 ND2 ASN A 52 4.600 -5.964 -7.151 1.00 11.31 N ATOM 0 H ASN A 52 2.866 -3.241 -4.307 1.00 21.02 H new ATOM 0 HA ASN A 52 3.202 -6.191 -4.476 1.00 71.22 H new ATOM 0 HB2 ASN A 52 5.306 -3.984 -4.625 1.00 41.44 H new ATOM 0 HB3 ASN A 52 5.610 -5.703 -4.780 1.00 41.44 H new ATOM 0 HD21 ASN A 52 4.401 -5.954 -8.151 1.00 11.31 H new ATOM 0 HD22 ASN A 52 4.796 -6.847 -6.679 1.00 11.31 H new ATOM 816 N LEU A 53 3.526 -6.407 -1.999 1.00 60.44 N ATOM 817 CA LEU A 53 3.853 -6.694 -0.585 1.00 15.10 C ATOM 818 C LEU A 53 5.304 -7.219 -0.478 1.00 14.05 C ATOM 819 O LEU A 53 5.691 -8.145 -1.201 1.00 1.32 O ATOM 820 CB LEU A 53 2.878 -7.758 0.004 1.00 41.20 C ATOM 821 CG LEU A 53 1.351 -7.421 -0.038 1.00 65.13 C ATOM 822 CD1 LEU A 53 0.509 -8.593 0.512 1.00 65.32 C ATOM 823 CD2 LEU A 53 1.039 -6.110 0.715 1.00 1.35 C ATOM 0 H LEU A 53 2.973 -7.140 -2.443 1.00 60.44 H new ATOM 0 HA LEU A 53 3.751 -5.769 -0.017 1.00 15.10 H new ATOM 0 HB2 LEU A 53 3.033 -8.694 -0.533 1.00 41.20 H new ATOM 0 HB3 LEU A 53 3.157 -7.936 1.042 1.00 41.20 H new ATOM 0 HG LEU A 53 1.077 -7.271 -1.082 1.00 65.13 H new ATOM 0 HD11 LEU A 53 -0.548 -8.332 0.471 1.00 65.32 H new ATOM 0 HD12 LEU A 53 0.686 -9.483 -0.091 1.00 65.32 H new ATOM 0 HD13 LEU A 53 0.794 -8.792 1.545 1.00 65.32 H new ATOM 0 HD21 LEU A 53 -0.031 -5.907 0.665 1.00 1.35 H new ATOM 0 HD22 LEU A 53 1.341 -6.208 1.758 1.00 1.35 H new ATOM 0 HD23 LEU A 53 1.586 -5.287 0.255 1.00 1.35 H new ATOM 835 N TYR A 54 6.099 -6.621 0.417 1.00 34.32 N ATOM 836 CA TYR A 54 7.492 -7.042 0.681 1.00 40.31 C ATOM 837 C TYR A 54 7.524 -8.119 1.785 1.00 31.40 C ATOM 838 O TYR A 54 7.089 -7.870 2.913 1.00 61.31 O ATOM 839 CB TYR A 54 8.350 -5.810 1.073 1.00 11.12 C ATOM 840 CG TYR A 54 8.538 -4.825 -0.091 1.00 72.01 C ATOM 841 CD1 TYR A 54 7.602 -3.824 -0.365 1.00 12.22 C ATOM 842 CD2 TYR A 54 9.642 -4.929 -0.943 1.00 3.45 C ATOM 843 CE1 TYR A 54 7.769 -2.966 -1.434 1.00 64.02 C ATOM 844 CE2 TYR A 54 9.806 -4.077 -2.010 1.00 11.34 C ATOM 845 CZ TYR A 54 8.870 -3.101 -2.252 1.00 32.21 C ATOM 846 OH TYR A 54 9.037 -2.261 -3.328 1.00 53.14 O ATOM 0 H TYR A 54 5.799 -5.828 0.984 1.00 34.32 H new ATOM 0 HA TYR A 54 7.914 -7.478 -0.224 1.00 40.31 H new ATOM 0 HB2 TYR A 54 7.877 -5.293 1.908 1.00 11.12 H new ATOM 0 HB3 TYR A 54 9.327 -6.148 1.419 1.00 11.12 H new ATOM 0 HD1 TYR A 54 6.734 -3.720 0.269 1.00 12.22 H new ATOM 0 HD2 TYR A 54 10.381 -5.694 -0.759 1.00 3.45 H new ATOM 0 HE1 TYR A 54 7.040 -2.193 -1.628 1.00 64.02 H new ATOM 0 HE2 TYR A 54 10.667 -4.175 -2.655 1.00 11.34 H new ATOM 0 HH TYR A 54 9.865 -2.492 -3.798 1.00 53.14 H new ATOM 856 N THR A 55 7.997 -9.323 1.425 1.00 44.54 N ATOM 857 CA THR A 55 8.151 -10.467 2.352 1.00 74.34 C ATOM 858 C THR A 55 9.618 -10.578 2.823 1.00 73.01 C ATOM 859 O THR A 55 10.544 -10.187 2.104 1.00 71.12 O ATOM 860 CB THR A 55 7.711 -11.806 1.653 1.00 43.42 C ATOM 861 OG1 THR A 55 6.430 -11.616 1.023 1.00 33.02 O ATOM 862 CG2 THR A 55 7.606 -12.983 2.641 1.00 24.05 C ATOM 0 H THR A 55 8.288 -9.537 0.471 1.00 44.54 H new ATOM 0 HA THR A 55 7.511 -10.297 3.218 1.00 74.34 H new ATOM 0 HB THR A 55 8.478 -12.054 0.919 1.00 43.42 H new ATOM 0 HG1 THR A 55 6.154 -12.448 0.585 1.00 33.02 H new ATOM 0 HG21 THR A 55 7.299 -13.881 2.105 1.00 24.05 H new ATOM 0 HG22 THR A 55 8.576 -13.153 3.109 1.00 24.05 H new ATOM 0 HG23 THR A 55 6.869 -12.749 3.409 1.00 24.05 H new ATOM 870 N ASP A 56 9.819 -11.100 4.039 1.00 24.44 N ATOM 871 CA ASP A 56 11.150 -11.261 4.646 1.00 64.24 C ATOM 872 C ASP A 56 11.836 -12.532 4.081 1.00 64.12 C ATOM 873 O ASP A 56 11.221 -13.602 4.031 1.00 11.01 O ATOM 874 CB ASP A 56 11.005 -11.339 6.188 1.00 1.11 C ATOM 875 CG ASP A 56 12.330 -11.157 6.930 1.00 51.31 C ATOM 876 OD1 ASP A 56 13.095 -12.127 7.058 1.00 11.31 O ATOM 877 OD2 ASP A 56 12.628 -10.028 7.373 1.00 62.44 O ATOM 0 H ASP A 56 9.058 -11.426 4.635 1.00 24.44 H new ATOM 0 HA ASP A 56 11.777 -10.403 4.401 1.00 64.24 H new ATOM 0 HB2 ASP A 56 10.303 -10.574 6.519 1.00 1.11 H new ATOM 0 HB3 ASP A 56 10.575 -12.304 6.457 1.00 1.11 H new ATOM 882 N ARG A 57 13.105 -12.390 3.670 1.00 55.42 N ATOM 883 CA ARG A 57 13.897 -13.482 3.059 1.00 21.14 C ATOM 884 C ARG A 57 14.270 -14.588 4.090 1.00 23.33 C ATOM 885 O ARG A 57 14.352 -15.769 3.735 1.00 2.40 O ATOM 886 CB ARG A 57 15.191 -12.897 2.406 1.00 32.43 C ATOM 887 CG ARG A 57 16.090 -12.117 3.389 1.00 30.01 C ATOM 888 CD ARG A 57 17.443 -11.676 2.808 1.00 20.15 C ATOM 889 NE ARG A 57 18.271 -11.018 3.841 1.00 53.14 N ATOM 890 CZ ARG A 57 19.556 -10.748 3.744 1.00 71.41 C ATOM 891 NH1 ARG A 57 20.240 -11.056 2.688 1.00 55.00 N ATOM 892 NH2 ARG A 57 20.156 -10.181 4.735 1.00 21.12 N ATOM 0 H ARG A 57 13.618 -11.512 3.750 1.00 55.42 H new ATOM 0 HA ARG A 57 13.277 -13.949 2.294 1.00 21.14 H new ATOM 0 HB2 ARG A 57 15.768 -13.713 1.971 1.00 32.43 H new ATOM 0 HB3 ARG A 57 14.906 -12.236 1.587 1.00 32.43 H new ATOM 0 HG2 ARG A 57 15.551 -11.233 3.731 1.00 30.01 H new ATOM 0 HG3 ARG A 57 16.271 -12.738 4.266 1.00 30.01 H new ATOM 0 HD2 ARG A 57 17.972 -12.542 2.409 1.00 20.15 H new ATOM 0 HD3 ARG A 57 17.280 -10.991 1.976 1.00 20.15 H new ATOM 0 HE ARG A 57 17.805 -10.749 4.707 1.00 53.14 H new ATOM 0 HH11 ARG A 57 19.784 -11.520 1.903 1.00 55.00 H new ATOM 0 HH12 ARG A 57 21.234 -10.834 2.642 1.00 55.00 H new ATOM 0 HH21 ARG A 57 19.635 -9.947 5.580 1.00 21.12 H new ATOM 0 HH22 ARG A 57 21.151 -9.966 4.673 1.00 21.12 H new ATOM 906 N GLU A 58 14.480 -14.196 5.367 1.00 71.34 N ATOM 907 CA GLU A 58 14.973 -15.102 6.435 1.00 43.13 C ATOM 908 C GLU A 58 13.810 -15.858 7.121 1.00 64.32 C ATOM 909 O GLU A 58 13.840 -17.089 7.234 1.00 34.05 O ATOM 910 CB GLU A 58 15.768 -14.285 7.498 1.00 14.42 C ATOM 911 CG GLU A 58 16.884 -13.376 6.933 1.00 54.55 C ATOM 912 CD GLU A 58 18.019 -14.134 6.213 1.00 14.44 C ATOM 913 OE1 GLU A 58 17.886 -14.435 5.008 1.00 20.13 O ATOM 914 OE2 GLU A 58 19.054 -14.423 6.847 1.00 25.33 O ATOM 0 H GLU A 58 14.313 -13.243 5.689 1.00 71.34 H new ATOM 0 HA GLU A 58 15.628 -15.840 5.971 1.00 43.13 H new ATOM 0 HB2 GLU A 58 15.066 -13.666 8.056 1.00 14.42 H new ATOM 0 HB3 GLU A 58 16.214 -14.981 8.208 1.00 14.42 H new ATOM 0 HG2 GLU A 58 16.439 -12.665 6.237 1.00 54.55 H new ATOM 0 HG3 GLU A 58 17.312 -12.796 7.750 1.00 54.55 H new ATOM 921 N THR A 59 12.798 -15.099 7.589 1.00 34.10 N ATOM 922 CA THR A 59 11.635 -15.650 8.339 1.00 12.11 C ATOM 923 C THR A 59 10.553 -16.229 7.401 1.00 71.43 C ATOM 924 O THR A 59 9.829 -17.157 7.773 1.00 53.21 O ATOM 925 CB THR A 59 10.965 -14.560 9.251 1.00 72.21 C ATOM 926 OG1 THR A 59 10.296 -13.576 8.443 1.00 43.24 O ATOM 927 CG2 THR A 59 11.992 -13.852 10.159 1.00 63.11 C ATOM 0 H THR A 59 12.758 -14.088 7.461 1.00 34.10 H new ATOM 0 HA THR A 59 12.038 -16.452 8.957 1.00 12.11 H new ATOM 0 HB THR A 59 10.245 -15.076 9.887 1.00 72.21 H new ATOM 0 HG1 THR A 59 9.881 -12.904 9.023 1.00 43.24 H new ATOM 0 HG21 THR A 59 11.484 -13.107 10.771 1.00 63.11 H new ATOM 0 HG22 THR A 59 12.473 -14.586 10.805 1.00 63.11 H new ATOM 0 HG23 THR A 59 12.746 -13.362 9.543 1.00 63.11 H new ATOM 935 N GLY A 60 10.439 -15.654 6.187 1.00 64.24 N ATOM 936 CA GLY A 60 9.385 -16.037 5.228 1.00 34.24 C ATOM 937 C GLY A 60 8.019 -15.392 5.527 1.00 71.14 C ATOM 938 O GLY A 60 7.019 -15.716 4.878 1.00 64.21 O ATOM 0 H GLY A 60 11.064 -14.923 5.848 1.00 64.24 H new ATOM 0 HA2 GLY A 60 9.699 -15.755 4.223 1.00 34.24 H new ATOM 0 HA3 GLY A 60 9.275 -17.121 5.235 1.00 34.24 H new ATOM 942 N LYS A 61 7.982 -14.486 6.526 1.00 12.03 N ATOM 943 CA LYS A 61 6.769 -13.723 6.901 1.00 42.31 C ATOM 944 C LYS A 61 6.859 -12.292 6.341 1.00 11.31 C ATOM 945 O LYS A 61 7.951 -11.781 6.127 1.00 35.13 O ATOM 946 CB LYS A 61 6.607 -13.686 8.444 1.00 65.54 C ATOM 947 CG LYS A 61 6.608 -15.073 9.124 1.00 72.10 C ATOM 948 CD LYS A 61 6.379 -15.038 10.661 1.00 34.04 C ATOM 949 CE LYS A 61 7.458 -14.267 11.458 1.00 2.54 C ATOM 950 NZ LYS A 61 7.314 -12.789 11.367 1.00 24.10 N ATOM 0 H LYS A 61 8.795 -14.261 7.099 1.00 12.03 H new ATOM 0 HA LYS A 61 5.896 -14.218 6.475 1.00 42.31 H new ATOM 0 HB2 LYS A 61 7.414 -13.088 8.867 1.00 65.54 H new ATOM 0 HB3 LYS A 61 5.674 -13.178 8.686 1.00 65.54 H new ATOM 0 HG2 LYS A 61 5.832 -15.688 8.668 1.00 72.10 H new ATOM 0 HG3 LYS A 61 7.561 -15.562 8.923 1.00 72.10 H new ATOM 0 HD2 LYS A 61 5.407 -14.586 10.860 1.00 34.04 H new ATOM 0 HD3 LYS A 61 6.335 -16.062 11.032 1.00 34.04 H new ATOM 0 HE2 LYS A 61 7.409 -14.566 12.505 1.00 2.54 H new ATOM 0 HE3 LYS A 61 8.444 -14.552 11.091 1.00 2.54 H new ATOM 0 HZ1 LYS A 61 8.153 -12.386 10.902 1.00 24.10 H new ATOM 0 HZ2 LYS A 61 6.466 -12.556 10.812 1.00 24.10 H new ATOM 0 HZ3 LYS A 61 7.223 -12.390 12.323 1.00 24.10 H new ATOM 964 N LEU A 62 5.707 -11.644 6.142 1.00 55.04 N ATOM 965 CA LEU A 62 5.638 -10.288 5.548 1.00 51.21 C ATOM 966 C LEU A 62 6.366 -9.234 6.430 1.00 24.21 C ATOM 967 O LEU A 62 6.236 -9.237 7.657 1.00 32.15 O ATOM 968 CB LEU A 62 4.161 -9.887 5.307 1.00 34.41 C ATOM 969 CG LEU A 62 3.388 -10.779 4.280 1.00 72.11 C ATOM 970 CD1 LEU A 62 1.889 -10.452 4.266 1.00 52.21 C ATOM 971 CD2 LEU A 62 3.993 -10.658 2.862 1.00 30.22 C ATOM 0 H LEU A 62 4.796 -12.034 6.384 1.00 55.04 H new ATOM 0 HA LEU A 62 6.156 -10.313 4.589 1.00 51.21 H new ATOM 0 HB2 LEU A 62 3.633 -9.917 6.260 1.00 34.41 H new ATOM 0 HB3 LEU A 62 4.134 -8.854 4.960 1.00 34.41 H new ATOM 0 HG LEU A 62 3.498 -11.814 4.604 1.00 72.11 H new ATOM 0 HD11 LEU A 62 1.384 -11.091 3.541 1.00 52.21 H new ATOM 0 HD12 LEU A 62 1.469 -10.625 5.257 1.00 52.21 H new ATOM 0 HD13 LEU A 62 1.747 -9.407 3.990 1.00 52.21 H new ATOM 0 HD21 LEU A 62 3.433 -11.290 2.172 1.00 30.22 H new ATOM 0 HD22 LEU A 62 3.938 -9.621 2.530 1.00 30.22 H new ATOM 0 HD23 LEU A 62 5.035 -10.978 2.882 1.00 30.22 H new ATOM 983 N LYS A 63 7.143 -8.348 5.782 1.00 14.11 N ATOM 984 CA LYS A 63 7.897 -7.269 6.470 1.00 55.10 C ATOM 985 C LYS A 63 6.972 -6.148 6.989 1.00 14.20 C ATOM 986 O LYS A 63 7.386 -5.331 7.821 1.00 32.34 O ATOM 987 CB LYS A 63 8.959 -6.654 5.515 1.00 40.22 C ATOM 988 CG LYS A 63 9.996 -7.658 4.962 1.00 42.30 C ATOM 989 CD LYS A 63 11.071 -6.987 4.070 1.00 44.13 C ATOM 990 CE LYS A 63 11.997 -6.039 4.862 1.00 41.42 C ATOM 991 NZ LYS A 63 12.873 -5.243 3.971 1.00 53.14 N ATOM 0 H LYS A 63 7.270 -8.354 4.770 1.00 14.11 H new ATOM 0 HA LYS A 63 8.388 -7.727 7.328 1.00 55.10 H new ATOM 0 HB2 LYS A 63 8.444 -6.186 4.676 1.00 40.22 H new ATOM 0 HB3 LYS A 63 9.488 -5.862 6.045 1.00 40.22 H new ATOM 0 HG2 LYS A 63 10.486 -8.162 5.795 1.00 42.30 H new ATOM 0 HG3 LYS A 63 9.479 -8.425 4.385 1.00 42.30 H new ATOM 0 HD2 LYS A 63 11.673 -7.759 3.591 1.00 44.13 H new ATOM 0 HD3 LYS A 63 10.579 -6.427 3.275 1.00 44.13 H new ATOM 0 HE2 LYS A 63 11.392 -5.366 5.470 1.00 41.42 H new ATOM 0 HE3 LYS A 63 12.612 -6.622 5.547 1.00 41.42 H new ATOM 0 HZ1 LYS A 63 13.713 -4.930 4.499 1.00 53.14 H new ATOM 0 HZ2 LYS A 63 13.170 -5.827 3.164 1.00 53.14 H new ATOM 0 HZ3 LYS A 63 12.352 -4.412 3.624 1.00 53.14 H new ATOM 1005 N GLY A 64 5.721 -6.120 6.497 1.00 23.12 N ATOM 1006 CA GLY A 64 4.790 -5.028 6.794 1.00 73.24 C ATOM 1007 C GLY A 64 5.081 -3.792 5.946 1.00 23.03 C ATOM 1008 O GLY A 64 4.957 -2.660 6.410 1.00 43.31 O ATOM 0 H GLY A 64 5.335 -6.844 5.891 1.00 23.12 H new ATOM 0 HA2 GLY A 64 3.768 -5.361 6.613 1.00 73.24 H new ATOM 0 HA3 GLY A 64 4.858 -4.769 7.851 1.00 73.24 H new ATOM 1012 N GLU A 65 5.498 -4.031 4.691 1.00 23.04 N ATOM 1013 CA GLU A 65 5.818 -2.972 3.708 1.00 12.43 C ATOM 1014 C GLU A 65 5.101 -3.274 2.368 1.00 31.40 C ATOM 1015 O GLU A 65 4.888 -4.446 2.037 1.00 5.43 O ATOM 1016 CB GLU A 65 7.354 -2.877 3.479 1.00 62.02 C ATOM 1017 CG GLU A 65 8.191 -2.641 4.756 1.00 42.14 C ATOM 1018 CD GLU A 65 9.696 -2.498 4.479 1.00 75.33 C ATOM 1019 OE1 GLU A 65 10.284 -3.405 3.848 1.00 51.03 O ATOM 1020 OE2 GLU A 65 10.300 -1.471 4.862 1.00 74.31 O ATOM 0 H GLU A 65 5.625 -4.974 4.323 1.00 23.04 H new ATOM 0 HA GLU A 65 5.471 -2.016 4.099 1.00 12.43 H new ATOM 0 HB2 GLU A 65 7.693 -3.798 3.005 1.00 62.02 H new ATOM 0 HB3 GLU A 65 7.552 -2.066 2.778 1.00 62.02 H new ATOM 0 HG2 GLU A 65 7.833 -1.740 5.255 1.00 42.14 H new ATOM 0 HG3 GLU A 65 8.033 -3.471 5.444 1.00 42.14 H new ATOM 1027 N ALA A 66 4.728 -2.221 1.606 1.00 24.23 N ATOM 1028 CA ALA A 66 4.049 -2.387 0.291 1.00 62.44 C ATOM 1029 C ALA A 66 4.145 -1.130 -0.591 1.00 65.21 C ATOM 1030 O ALA A 66 4.276 -0.014 -0.089 1.00 12.31 O ATOM 1031 CB ALA A 66 2.573 -2.781 0.468 1.00 63.02 C ATOM 0 H ALA A 66 4.883 -1.249 1.874 1.00 24.23 H new ATOM 0 HA ALA A 66 4.578 -3.193 -0.218 1.00 62.44 H new ATOM 0 HB1 ALA A 66 2.107 -2.894 -0.511 1.00 63.02 H new ATOM 0 HB2 ALA A 66 2.511 -3.724 1.011 1.00 63.02 H new ATOM 0 HB3 ALA A 66 2.054 -2.004 1.030 1.00 63.02 H new ATOM 1037 N THR A 67 4.062 -1.336 -1.914 1.00 63.41 N ATOM 1038 CA THR A 67 3.990 -0.230 -2.904 1.00 0.43 C ATOM 1039 C THR A 67 2.587 -0.149 -3.542 1.00 35.10 C ATOM 1040 O THR A 67 2.176 -1.064 -4.244 1.00 62.05 O ATOM 1041 CB THR A 67 5.067 -0.383 -4.026 1.00 71.24 C ATOM 1042 OG1 THR A 67 5.024 -1.708 -4.582 1.00 32.04 O ATOM 1043 CG2 THR A 67 6.473 -0.084 -3.496 1.00 31.03 C ATOM 0 H THR A 67 4.042 -2.265 -2.335 1.00 63.41 H new ATOM 0 HA THR A 67 4.190 0.693 -2.360 1.00 0.43 H new ATOM 0 HB THR A 67 4.838 0.342 -4.807 1.00 71.24 H new ATOM 0 HG1 THR A 67 5.702 -1.790 -5.285 1.00 32.04 H new ATOM 0 HG21 THR A 67 7.198 -0.200 -4.302 1.00 31.03 H new ATOM 0 HG22 THR A 67 6.510 0.938 -3.119 1.00 31.03 H new ATOM 0 HG23 THR A 67 6.713 -0.777 -2.690 1.00 31.03 H new ATOM 1051 N VAL A 68 1.871 0.970 -3.311 1.00 61.33 N ATOM 1052 CA VAL A 68 0.474 1.163 -3.786 1.00 22.52 C ATOM 1053 C VAL A 68 0.455 2.100 -5.011 1.00 30.14 C ATOM 1054 O VAL A 68 0.720 3.303 -4.881 1.00 12.44 O ATOM 1055 CB VAL A 68 -0.456 1.777 -2.666 1.00 1.21 C ATOM 1056 CG1 VAL A 68 -1.959 1.718 -3.070 1.00 75.50 C ATOM 1057 CG2 VAL A 68 -0.207 1.096 -1.305 1.00 32.15 C ATOM 0 H VAL A 68 2.238 1.767 -2.792 1.00 61.33 H new ATOM 0 HA VAL A 68 0.090 0.178 -4.052 1.00 22.52 H new ATOM 0 HB VAL A 68 -0.195 2.830 -2.562 1.00 1.21 H new ATOM 0 HG11 VAL A 68 -2.567 2.149 -2.275 1.00 75.50 H new ATOM 0 HG12 VAL A 68 -2.111 2.283 -3.990 1.00 75.50 H new ATOM 0 HG13 VAL A 68 -2.253 0.680 -3.229 1.00 75.50 H new ATOM 0 HG21 VAL A 68 -0.860 1.538 -0.552 1.00 32.15 H new ATOM 0 HG22 VAL A 68 -0.418 0.030 -1.388 1.00 32.15 H new ATOM 0 HG23 VAL A 68 0.833 1.239 -1.012 1.00 32.15 H new ATOM 1067 N SER A 69 0.156 1.550 -6.195 1.00 45.42 N ATOM 1068 CA SER A 69 0.039 2.343 -7.437 1.00 13.13 C ATOM 1069 C SER A 69 -1.362 2.971 -7.554 1.00 42.31 C ATOM 1070 O SER A 69 -2.326 2.277 -7.863 1.00 5.35 O ATOM 1071 CB SER A 69 0.329 1.462 -8.676 1.00 61.52 C ATOM 1072 OG SER A 69 1.651 0.955 -8.657 1.00 65.12 O ATOM 0 H SER A 69 -0.011 0.552 -6.324 1.00 45.42 H new ATOM 0 HA SER A 69 0.777 3.144 -7.395 1.00 13.13 H new ATOM 0 HB2 SER A 69 -0.379 0.634 -8.708 1.00 61.52 H new ATOM 0 HB3 SER A 69 0.176 2.047 -9.583 1.00 61.52 H new ATOM 0 HG SER A 69 1.801 0.402 -9.452 1.00 65.12 H new ATOM 1078 N PHE A 70 -1.474 4.279 -7.263 1.00 60.41 N ATOM 1079 CA PHE A 70 -2.708 5.058 -7.520 1.00 11.32 C ATOM 1080 C PHE A 70 -2.811 5.446 -9.005 1.00 1.21 C ATOM 1081 O PHE A 70 -1.800 5.559 -9.704 1.00 55.40 O ATOM 1082 CB PHE A 70 -2.765 6.326 -6.630 1.00 22.43 C ATOM 1083 CG PHE A 70 -3.157 6.050 -5.186 1.00 12.44 C ATOM 1084 CD1 PHE A 70 -2.206 5.670 -4.242 1.00 72.04 C ATOM 1085 CD2 PHE A 70 -4.486 6.174 -4.775 1.00 1.22 C ATOM 1086 CE1 PHE A 70 -2.574 5.430 -2.937 1.00 31.43 C ATOM 1087 CE2 PHE A 70 -4.847 5.931 -3.470 1.00 33.31 C ATOM 1088 CZ PHE A 70 -3.890 5.560 -2.553 1.00 53.11 C ATOM 0 H PHE A 70 -0.721 4.826 -6.846 1.00 60.41 H new ATOM 0 HA PHE A 70 -3.557 4.424 -7.266 1.00 11.32 H new ATOM 0 HB2 PHE A 70 -1.789 6.812 -6.645 1.00 22.43 H new ATOM 0 HB3 PHE A 70 -3.478 7.029 -7.061 1.00 22.43 H new ATOM 0 HD1 PHE A 70 -1.172 5.563 -4.536 1.00 72.04 H new ATOM 0 HD2 PHE A 70 -5.240 6.465 -5.491 1.00 1.22 H new ATOM 0 HE1 PHE A 70 -1.828 5.139 -2.212 1.00 31.43 H new ATOM 0 HE2 PHE A 70 -5.878 6.031 -3.166 1.00 33.31 H new ATOM 0 HZ PHE A 70 -4.172 5.370 -1.528 1.00 53.11 H new ATOM 1098 N ASP A 71 -4.050 5.646 -9.471 1.00 65.55 N ATOM 1099 CA ASP A 71 -4.334 6.006 -10.868 1.00 13.35 C ATOM 1100 C ASP A 71 -3.983 7.487 -11.145 1.00 51.24 C ATOM 1101 O ASP A 71 -3.539 7.841 -12.244 1.00 61.40 O ATOM 1102 CB ASP A 71 -5.815 5.703 -11.200 1.00 51.31 C ATOM 1103 CG ASP A 71 -6.107 5.751 -12.703 1.00 21.35 C ATOM 1104 OD1 ASP A 71 -5.370 5.095 -13.470 1.00 14.23 O ATOM 1105 OD2 ASP A 71 -7.080 6.402 -13.128 1.00 61.42 O ATOM 0 H ASP A 71 -4.885 5.563 -8.891 1.00 65.55 H new ATOM 0 HA ASP A 71 -3.705 5.400 -11.520 1.00 13.35 H new ATOM 0 HB2 ASP A 71 -6.075 4.717 -10.815 1.00 51.31 H new ATOM 0 HB3 ASP A 71 -6.452 6.423 -10.687 1.00 51.31 H new ATOM 1110 N ASP A 72 -4.187 8.345 -10.131 1.00 53.34 N ATOM 1111 CA ASP A 72 -3.777 9.758 -10.180 1.00 62.10 C ATOM 1112 C ASP A 72 -2.622 10.038 -9.181 1.00 60.35 C ATOM 1113 O ASP A 72 -2.703 9.651 -8.005 1.00 1.51 O ATOM 1114 CB ASP A 72 -4.980 10.688 -9.885 1.00 12.44 C ATOM 1115 CG ASP A 72 -6.106 10.567 -10.922 1.00 23.34 C ATOM 1116 OD1 ASP A 72 -5.844 10.780 -12.124 1.00 3.44 O ATOM 1117 OD2 ASP A 72 -7.257 10.285 -10.542 1.00 63.31 O ATOM 0 H ASP A 72 -4.640 8.079 -9.257 1.00 53.34 H new ATOM 0 HA ASP A 72 -3.416 9.966 -11.187 1.00 62.10 H new ATOM 0 HB2 ASP A 72 -5.378 10.455 -8.897 1.00 12.44 H new ATOM 0 HB3 ASP A 72 -4.633 11.721 -9.853 1.00 12.44 H new ATOM 1122 N PRO A 73 -1.515 10.701 -9.643 1.00 51.41 N ATOM 1123 CA PRO A 73 -0.474 11.271 -8.751 1.00 42.35 C ATOM 1124 C PRO A 73 -0.990 12.178 -7.561 1.00 3.42 C ATOM 1125 O PRO A 73 -0.411 12.094 -6.473 1.00 72.50 O ATOM 1126 CB PRO A 73 0.459 12.048 -9.721 1.00 34.10 C ATOM 1127 CG PRO A 73 -0.221 12.043 -11.062 1.00 24.11 C ATOM 1128 CD PRO A 73 -1.122 10.837 -11.070 1.00 14.23 C ATOM 0 HA PRO A 73 0.022 10.471 -8.202 1.00 42.35 H new ATOM 0 HB2 PRO A 73 0.620 13.068 -9.371 1.00 34.10 H new ATOM 0 HB3 PRO A 73 1.438 11.573 -9.781 1.00 34.10 H new ATOM 0 HG2 PRO A 73 -0.794 12.958 -11.212 1.00 24.11 H new ATOM 0 HG3 PRO A 73 0.510 11.989 -11.869 1.00 24.11 H new ATOM 0 HD2 PRO A 73 -1.988 10.985 -11.714 1.00 14.23 H new ATOM 0 HD3 PRO A 73 -0.604 9.949 -11.432 1.00 14.23 H new ATOM 1136 N PRO A 74 -2.069 13.064 -7.702 1.00 5.50 N ATOM 1137 CA PRO A 74 -2.643 13.797 -6.527 1.00 33.45 C ATOM 1138 C PRO A 74 -3.250 12.866 -5.437 1.00 21.04 C ATOM 1139 O PRO A 74 -3.264 13.221 -4.257 1.00 24.12 O ATOM 1140 CB PRO A 74 -3.733 14.709 -7.157 1.00 31.23 C ATOM 1141 CG PRO A 74 -4.048 14.087 -8.478 1.00 1.12 C ATOM 1142 CD PRO A 74 -2.745 13.499 -8.956 1.00 14.42 C ATOM 0 HA PRO A 74 -1.868 14.345 -5.992 1.00 33.45 H new ATOM 0 HB2 PRO A 74 -4.619 14.759 -6.524 1.00 31.23 H new ATOM 0 HB3 PRO A 74 -3.370 15.730 -7.279 1.00 31.23 H new ATOM 0 HG2 PRO A 74 -4.815 13.318 -8.379 1.00 1.12 H new ATOM 0 HG3 PRO A 74 -4.428 14.827 -9.182 1.00 1.12 H new ATOM 0 HD2 PRO A 74 -2.909 12.661 -9.633 1.00 14.42 H new ATOM 0 HD3 PRO A 74 -2.149 14.234 -9.497 1.00 14.42 H new ATOM 1150 N SER A 75 -3.741 11.679 -5.853 1.00 22.10 N ATOM 1151 CA SER A 75 -4.282 10.655 -4.918 1.00 74.34 C ATOM 1152 C SER A 75 -3.126 9.976 -4.150 1.00 24.32 C ATOM 1153 O SER A 75 -3.227 9.713 -2.948 1.00 45.43 O ATOM 1154 CB SER A 75 -5.100 9.592 -5.691 1.00 23.51 C ATOM 1155 OG SER A 75 -6.179 10.173 -6.408 1.00 44.23 O ATOM 0 H SER A 75 -3.776 11.400 -6.834 1.00 22.10 H new ATOM 0 HA SER A 75 -4.941 11.150 -4.205 1.00 74.34 H new ATOM 0 HB2 SER A 75 -4.446 9.064 -6.385 1.00 23.51 H new ATOM 0 HB3 SER A 75 -5.486 8.851 -4.991 1.00 23.51 H new ATOM 0 HG SER A 75 -6.671 9.472 -6.884 1.00 44.23 H new ATOM 1161 N ALA A 76 -2.017 9.721 -4.868 1.00 54.33 N ATOM 1162 CA ALA A 76 -0.777 9.168 -4.284 1.00 12.12 C ATOM 1163 C ALA A 76 -0.211 10.107 -3.186 1.00 62.50 C ATOM 1164 O ALA A 76 0.071 9.677 -2.064 1.00 31.43 O ATOM 1165 CB ALA A 76 0.258 8.930 -5.397 1.00 14.11 C ATOM 0 H ALA A 76 -1.953 9.892 -5.872 1.00 54.33 H new ATOM 0 HA ALA A 76 -1.007 8.214 -3.809 1.00 12.12 H new ATOM 0 HB1 ALA A 76 1.171 8.522 -4.964 1.00 14.11 H new ATOM 0 HB2 ALA A 76 -0.145 8.225 -6.124 1.00 14.11 H new ATOM 0 HB3 ALA A 76 0.482 9.874 -5.893 1.00 14.11 H new ATOM 1171 N LYS A 77 -0.113 11.406 -3.532 1.00 43.52 N ATOM 1172 CA LYS A 77 0.358 12.477 -2.624 1.00 11.03 C ATOM 1173 C LYS A 77 -0.546 12.585 -1.371 1.00 60.40 C ATOM 1174 O LYS A 77 -0.059 12.568 -0.236 1.00 10.13 O ATOM 1175 CB LYS A 77 0.418 13.825 -3.424 1.00 62.35 C ATOM 1176 CG LYS A 77 1.041 15.050 -2.685 1.00 34.45 C ATOM 1177 CD LYS A 77 0.041 15.846 -1.807 1.00 23.43 C ATOM 1178 CE LYS A 77 0.641 17.154 -1.253 1.00 50.51 C ATOM 1179 NZ LYS A 77 1.863 16.919 -0.433 1.00 3.41 N ATOM 0 H LYS A 77 -0.361 11.748 -4.461 1.00 43.52 H new ATOM 0 HA LYS A 77 1.358 12.239 -2.260 1.00 11.03 H new ATOM 0 HB2 LYS A 77 0.987 13.653 -4.338 1.00 62.35 H new ATOM 0 HB3 LYS A 77 -0.596 14.088 -3.724 1.00 62.35 H new ATOM 0 HG2 LYS A 77 1.860 14.701 -2.056 1.00 34.45 H new ATOM 0 HG3 LYS A 77 1.472 15.724 -3.425 1.00 34.45 H new ATOM 0 HD2 LYS A 77 -0.846 16.079 -2.396 1.00 23.43 H new ATOM 0 HD3 LYS A 77 -0.284 15.220 -0.976 1.00 23.43 H new ATOM 0 HE2 LYS A 77 0.886 17.817 -2.082 1.00 50.51 H new ATOM 0 HE3 LYS A 77 -0.107 17.665 -0.647 1.00 50.51 H new ATOM 0 HZ1 LYS A 77 2.227 17.829 -0.084 1.00 3.41 H new ATOM 0 HZ2 LYS A 77 1.627 16.308 0.375 1.00 3.41 H new ATOM 0 HZ3 LYS A 77 2.589 16.456 -1.016 1.00 3.41 H new ATOM 1193 N ALA A 78 -1.863 12.685 -1.603 1.00 12.30 N ATOM 1194 CA ALA A 78 -2.858 12.849 -0.518 1.00 54.41 C ATOM 1195 C ALA A 78 -2.848 11.653 0.471 1.00 11.31 C ATOM 1196 O ALA A 78 -2.939 11.851 1.691 1.00 61.54 O ATOM 1197 CB ALA A 78 -4.258 13.058 -1.107 1.00 3.11 C ATOM 0 H ALA A 78 -2.272 12.656 -2.537 1.00 12.30 H new ATOM 0 HA ALA A 78 -2.579 13.735 0.052 1.00 54.41 H new ATOM 0 HB1 ALA A 78 -4.979 13.177 -0.298 1.00 3.11 H new ATOM 0 HB2 ALA A 78 -4.261 13.952 -1.730 1.00 3.11 H new ATOM 0 HB3 ALA A 78 -4.531 12.193 -1.712 1.00 3.11 H new ATOM 1203 N ALA A 79 -2.697 10.421 -0.074 1.00 21.31 N ATOM 1204 CA ALA A 79 -2.610 9.172 0.732 1.00 1.32 C ATOM 1205 C ALA A 79 -1.418 9.185 1.717 1.00 2.15 C ATOM 1206 O ALA A 79 -1.507 8.632 2.812 1.00 61.32 O ATOM 1207 CB ALA A 79 -2.517 7.948 -0.195 1.00 0.15 C ATOM 0 H ALA A 79 -2.632 10.262 -1.079 1.00 21.31 H new ATOM 0 HA ALA A 79 -3.520 9.111 1.329 1.00 1.32 H new ATOM 0 HB1 ALA A 79 -2.454 7.041 0.406 1.00 0.15 H new ATOM 0 HB2 ALA A 79 -3.403 7.903 -0.828 1.00 0.15 H new ATOM 0 HB3 ALA A 79 -1.628 8.032 -0.820 1.00 0.15 H new ATOM 1213 N ILE A 80 -0.306 9.819 1.303 1.00 14.42 N ATOM 1214 CA ILE A 80 0.889 10.005 2.166 1.00 62.25 C ATOM 1215 C ILE A 80 0.557 10.877 3.389 1.00 43.42 C ATOM 1216 O ILE A 80 0.639 10.420 4.525 1.00 40.12 O ATOM 1217 CB ILE A 80 2.089 10.645 1.373 1.00 74.50 C ATOM 1218 CG1 ILE A 80 2.466 9.757 0.158 1.00 74.13 C ATOM 1219 CG2 ILE A 80 3.323 10.894 2.285 1.00 10.51 C ATOM 1220 CD1 ILE A 80 3.552 10.326 -0.717 1.00 54.34 C ATOM 0 H ILE A 80 -0.204 10.216 0.369 1.00 14.42 H new ATOM 0 HA ILE A 80 1.190 9.014 2.504 1.00 62.25 H new ATOM 0 HB ILE A 80 1.762 11.619 1.008 1.00 74.50 H new ATOM 0 HG12 ILE A 80 2.785 8.780 0.522 1.00 74.13 H new ATOM 0 HG13 ILE A 80 1.575 9.596 -0.449 1.00 74.13 H new ATOM 0 HG21 ILE A 80 4.127 11.336 1.697 1.00 10.51 H new ATOM 0 HG22 ILE A 80 3.048 11.573 3.092 1.00 10.51 H new ATOM 0 HG23 ILE A 80 3.661 9.947 2.707 1.00 10.51 H new ATOM 0 HD11 ILE A 80 3.752 9.641 -1.541 1.00 54.34 H new ATOM 0 HD12 ILE A 80 3.231 11.289 -1.115 1.00 54.34 H new ATOM 0 HD13 ILE A 80 4.460 10.461 -0.129 1.00 54.34 H new ATOM 1232 N ASP A 81 0.142 12.122 3.111 1.00 41.23 N ATOM 1233 CA ASP A 81 -0.171 13.133 4.141 1.00 40.04 C ATOM 1234 C ASP A 81 -1.320 12.670 5.081 1.00 65.44 C ATOM 1235 O ASP A 81 -1.353 13.029 6.266 1.00 0.10 O ATOM 1236 CB ASP A 81 -0.519 14.470 3.435 1.00 0.23 C ATOM 1237 CG ASP A 81 -0.657 15.648 4.405 1.00 54.13 C ATOM 1238 OD1 ASP A 81 0.386 16.150 4.884 1.00 53.14 O ATOM 1239 OD2 ASP A 81 -1.796 16.074 4.701 1.00 13.34 O ATOM 0 H ASP A 81 0.012 12.462 2.158 1.00 41.23 H new ATOM 0 HA ASP A 81 0.702 13.273 4.778 1.00 40.04 H new ATOM 0 HB2 ASP A 81 0.256 14.699 2.703 1.00 0.23 H new ATOM 0 HB3 ASP A 81 -1.452 14.350 2.884 1.00 0.23 H new ATOM 1244 N TRP A 82 -2.235 11.850 4.539 1.00 11.44 N ATOM 1245 CA TRP A 82 -3.390 11.326 5.293 1.00 61.35 C ATOM 1246 C TRP A 82 -2.988 10.141 6.204 1.00 24.33 C ATOM 1247 O TRP A 82 -3.143 10.207 7.427 1.00 43.15 O ATOM 1248 CB TRP A 82 -4.512 10.895 4.311 1.00 45.10 C ATOM 1249 CG TRP A 82 -5.851 10.674 4.979 1.00 73.04 C ATOM 1250 CD1 TRP A 82 -6.445 9.483 5.289 1.00 33.41 C ATOM 1251 CD2 TRP A 82 -6.751 11.695 5.439 1.00 51.32 C ATOM 1252 NE1 TRP A 82 -7.653 9.699 5.895 1.00 35.30 N ATOM 1253 CE2 TRP A 82 -7.862 11.047 6.004 1.00 64.34 C ATOM 1254 CE3 TRP A 82 -6.718 13.096 5.427 1.00 33.35 C ATOM 1255 CZ2 TRP A 82 -8.934 11.747 6.548 1.00 11.01 C ATOM 1256 CZ3 TRP A 82 -7.783 13.790 5.965 1.00 2.31 C ATOM 1257 CH2 TRP A 82 -8.878 13.115 6.523 1.00 44.20 C ATOM 0 H TRP A 82 -2.197 11.532 3.571 1.00 11.44 H new ATOM 0 HA TRP A 82 -3.761 12.124 5.937 1.00 61.35 H new ATOM 0 HB2 TRP A 82 -4.622 11.658 3.541 1.00 45.10 H new ATOM 0 HB3 TRP A 82 -4.210 9.976 3.809 1.00 45.10 H new ATOM 0 HD1 TRP A 82 -6.022 8.511 5.085 1.00 33.41 H new ATOM 0 HE1 TRP A 82 -8.294 8.973 6.214 1.00 35.30 H new ATOM 0 HE3 TRP A 82 -5.875 13.623 5.005 1.00 33.35 H new ATOM 0 HZ2 TRP A 82 -9.781 11.230 6.975 1.00 11.01 H new ATOM 0 HZ3 TRP A 82 -7.773 14.870 5.956 1.00 2.31 H new ATOM 0 HH2 TRP A 82 -9.694 13.686 6.942 1.00 44.20 H new ATOM 1268 N PHE A 83 -2.459 9.068 5.592 1.00 0.10 N ATOM 1269 CA PHE A 83 -2.192 7.785 6.292 1.00 31.34 C ATOM 1270 C PHE A 83 -0.882 7.776 7.105 1.00 23.12 C ATOM 1271 O PHE A 83 -0.653 6.828 7.863 1.00 73.31 O ATOM 1272 CB PHE A 83 -2.185 6.613 5.288 1.00 4.11 C ATOM 1273 CG PHE A 83 -3.525 6.342 4.623 1.00 15.11 C ATOM 1274 CD1 PHE A 83 -4.695 6.236 5.379 1.00 64.54 C ATOM 1275 CD2 PHE A 83 -3.610 6.152 3.255 1.00 70.15 C ATOM 1276 CE1 PHE A 83 -5.900 5.947 4.772 1.00 33.51 C ATOM 1277 CE2 PHE A 83 -4.809 5.871 2.658 1.00 75.13 C ATOM 1278 CZ PHE A 83 -5.952 5.767 3.410 1.00 74.11 C ATOM 0 H PHE A 83 -2.203 9.058 4.605 1.00 0.10 H new ATOM 0 HA PHE A 83 -3.005 7.667 7.008 1.00 31.34 H new ATOM 0 HB2 PHE A 83 -1.445 6.819 4.514 1.00 4.11 H new ATOM 0 HB3 PHE A 83 -1.862 5.710 5.806 1.00 4.11 H new ATOM 0 HD1 PHE A 83 -4.656 6.382 6.448 1.00 64.54 H new ATOM 0 HD2 PHE A 83 -2.718 6.226 2.650 1.00 70.15 H new ATOM 0 HE1 PHE A 83 -6.799 5.863 5.365 1.00 33.51 H new ATOM 0 HE2 PHE A 83 -4.856 5.730 1.588 1.00 75.13 H new ATOM 0 HZ PHE A 83 -6.894 5.543 2.931 1.00 74.11 H new ATOM 1288 N ASP A 84 -0.019 8.794 6.944 1.00 62.04 N ATOM 1289 CA ASP A 84 1.212 8.893 7.745 1.00 32.21 C ATOM 1290 C ASP A 84 0.856 9.123 9.240 1.00 44.42 C ATOM 1291 O ASP A 84 0.326 10.174 9.610 1.00 51.54 O ATOM 1292 CB ASP A 84 2.137 10.013 7.211 1.00 72.10 C ATOM 1293 CG ASP A 84 3.522 9.983 7.870 1.00 43.53 C ATOM 1294 OD1 ASP A 84 4.331 9.111 7.505 1.00 63.13 O ATOM 1295 OD2 ASP A 84 3.793 10.795 8.780 1.00 71.03 O ATOM 0 H ASP A 84 -0.149 9.552 6.274 1.00 62.04 H new ATOM 0 HA ASP A 84 1.758 7.954 7.660 1.00 32.21 H new ATOM 0 HB2 ASP A 84 2.247 9.907 6.132 1.00 72.10 H new ATOM 0 HB3 ASP A 84 1.672 10.982 7.390 1.00 72.10 H new ATOM 1300 N GLY A 85 1.128 8.104 10.068 1.00 41.14 N ATOM 1301 CA GLY A 85 0.776 8.112 11.503 1.00 50.33 C ATOM 1302 C GLY A 85 -0.548 7.403 11.834 1.00 0.02 C ATOM 1303 O GLY A 85 -0.961 7.375 12.999 1.00 63.21 O ATOM 0 H GLY A 85 1.598 7.250 9.766 1.00 41.14 H new ATOM 0 HA2 GLY A 85 1.580 7.636 12.065 1.00 50.33 H new ATOM 0 HA3 GLY A 85 0.717 9.145 11.845 1.00 50.33 H new ATOM 1307 N LYS A 86 -1.220 6.836 10.814 1.00 54.40 N ATOM 1308 CA LYS A 86 -2.482 6.066 10.995 1.00 43.22 C ATOM 1309 C LYS A 86 -2.200 4.551 11.074 1.00 74.32 C ATOM 1310 O LYS A 86 -1.262 4.062 10.459 1.00 61.32 O ATOM 1311 CB LYS A 86 -3.463 6.349 9.825 1.00 65.43 C ATOM 1312 CG LYS A 86 -3.855 7.831 9.656 1.00 33.31 C ATOM 1313 CD LYS A 86 -4.521 8.428 10.917 1.00 23.41 C ATOM 1314 CE LYS A 86 -4.873 9.916 10.757 1.00 73.20 C ATOM 1315 NZ LYS A 86 -5.386 10.497 12.019 1.00 42.32 N ATOM 0 H LYS A 86 -0.912 6.894 9.843 1.00 54.40 H new ATOM 0 HA LYS A 86 -2.935 6.388 11.933 1.00 43.22 H new ATOM 0 HB2 LYS A 86 -3.011 5.999 8.897 1.00 65.43 H new ATOM 0 HB3 LYS A 86 -4.369 5.763 9.979 1.00 65.43 H new ATOM 0 HG2 LYS A 86 -2.965 8.411 9.413 1.00 33.31 H new ATOM 0 HG3 LYS A 86 -4.538 7.926 8.812 1.00 33.31 H new ATOM 0 HD2 LYS A 86 -5.428 7.867 11.143 1.00 23.41 H new ATOM 0 HD3 LYS A 86 -3.851 8.307 11.768 1.00 23.41 H new ATOM 0 HE2 LYS A 86 -3.989 10.467 10.436 1.00 73.20 H new ATOM 0 HE3 LYS A 86 -5.622 10.030 9.973 1.00 73.20 H new ATOM 0 HZ1 LYS A 86 -5.613 11.501 11.872 1.00 42.32 H new ATOM 0 HZ2 LYS A 86 -6.244 9.988 12.312 1.00 42.32 H new ATOM 0 HZ3 LYS A 86 -4.662 10.410 12.761 1.00 42.32 H new ATOM 1329 N GLU A 87 -3.025 3.808 11.820 1.00 4.23 N ATOM 1330 CA GLU A 87 -2.860 2.347 11.970 1.00 63.14 C ATOM 1331 C GLU A 87 -3.589 1.581 10.848 1.00 31.12 C ATOM 1332 O GLU A 87 -4.777 1.816 10.592 1.00 41.10 O ATOM 1333 CB GLU A 87 -3.359 1.872 13.351 1.00 42.20 C ATOM 1334 CG GLU A 87 -2.634 2.527 14.542 1.00 41.10 C ATOM 1335 CD GLU A 87 -2.958 1.858 15.884 1.00 63.14 C ATOM 1336 OE1 GLU A 87 -4.070 2.069 16.414 1.00 24.53 O ATOM 1337 OE2 GLU A 87 -2.108 1.113 16.412 1.00 71.10 O ATOM 0 H GLU A 87 -3.819 4.191 12.334 1.00 4.23 H new ATOM 0 HA GLU A 87 -1.794 2.131 11.893 1.00 63.14 H new ATOM 0 HB2 GLU A 87 -4.426 2.079 13.431 1.00 42.20 H new ATOM 0 HB3 GLU A 87 -3.239 0.791 13.416 1.00 42.20 H new ATOM 0 HG2 GLU A 87 -1.558 2.486 14.372 1.00 41.10 H new ATOM 0 HG3 GLU A 87 -2.908 3.581 14.592 1.00 41.10 H new ATOM 1344 N PHE A 88 -2.859 0.675 10.175 1.00 44.05 N ATOM 1345 CA PHE A 88 -3.408 -0.174 9.100 1.00 35.21 C ATOM 1346 C PHE A 88 -4.145 -1.397 9.695 1.00 2.12 C ATOM 1347 O PHE A 88 -5.380 -1.446 9.702 1.00 21.21 O ATOM 1348 CB PHE A 88 -2.260 -0.613 8.156 1.00 41.33 C ATOM 1349 CG PHE A 88 -2.696 -1.385 6.914 1.00 41.13 C ATOM 1350 CD1 PHE A 88 -2.846 -2.769 6.942 1.00 20.43 C ATOM 1351 CD2 PHE A 88 -2.955 -0.723 5.721 1.00 60.12 C ATOM 1352 CE1 PHE A 88 -3.245 -3.456 5.828 1.00 42.11 C ATOM 1353 CE2 PHE A 88 -3.351 -1.418 4.604 1.00 41.53 C ATOM 1354 CZ PHE A 88 -3.494 -2.781 4.659 1.00 42.32 C ATOM 0 H PHE A 88 -1.870 0.509 10.360 1.00 44.05 H new ATOM 0 HA PHE A 88 -4.136 0.396 8.523 1.00 35.21 H new ATOM 0 HB2 PHE A 88 -1.713 0.275 7.838 1.00 41.33 H new ATOM 0 HB3 PHE A 88 -1.563 -1.231 8.722 1.00 41.33 H new ATOM 0 HD1 PHE A 88 -2.645 -3.308 7.856 1.00 20.43 H new ATOM 0 HD2 PHE A 88 -2.844 0.350 5.671 1.00 60.12 H new ATOM 0 HE1 PHE A 88 -3.364 -4.529 5.868 1.00 42.11 H new ATOM 0 HE2 PHE A 88 -3.550 -0.891 3.682 1.00 41.53 H new ATOM 0 HZ PHE A 88 -3.804 -3.325 3.779 1.00 42.32 H new ATOM 1364 N SER A 89 -3.371 -2.370 10.215 1.00 65.11 N ATOM 1365 CA SER A 89 -3.910 -3.644 10.758 1.00 21.24 C ATOM 1366 C SER A 89 -3.526 -3.782 12.253 1.00 4.34 C ATOM 1367 O SER A 89 -2.943 -4.787 12.687 1.00 1.11 O ATOM 1368 CB SER A 89 -3.375 -4.834 9.909 1.00 31.30 C ATOM 1369 OG SER A 89 -4.023 -6.053 10.225 1.00 44.44 O ATOM 0 H SER A 89 -2.355 -2.300 10.273 1.00 65.11 H new ATOM 0 HA SER A 89 -4.998 -3.648 10.697 1.00 21.24 H new ATOM 0 HB2 SER A 89 -3.515 -4.614 8.851 1.00 31.30 H new ATOM 0 HB3 SER A 89 -2.303 -4.942 10.073 1.00 31.30 H new ATOM 0 HG SER A 89 -3.984 -6.203 11.193 1.00 44.44 H new ATOM 1375 N GLY A 90 -3.859 -2.733 13.035 1.00 50.35 N ATOM 1376 CA GLY A 90 -3.465 -2.637 14.455 1.00 20.34 C ATOM 1377 C GLY A 90 -2.031 -2.109 14.656 1.00 23.05 C ATOM 1378 O GLY A 90 -1.559 -1.989 15.790 1.00 0.10 O ATOM 0 H GLY A 90 -4.403 -1.937 12.703 1.00 50.35 H new ATOM 0 HA2 GLY A 90 -4.163 -1.980 14.975 1.00 20.34 H new ATOM 0 HA3 GLY A 90 -3.550 -3.621 14.916 1.00 20.34 H new ATOM 1382 N ASN A 91 -1.344 -1.796 13.537 1.00 5.32 N ATOM 1383 CA ASN A 91 0.062 -1.332 13.530 1.00 1.03 C ATOM 1384 C ASN A 91 0.158 0.052 12.834 1.00 52.12 C ATOM 1385 O ASN A 91 -0.328 0.194 11.703 1.00 62.40 O ATOM 1386 CB ASN A 91 0.964 -2.367 12.798 1.00 3.15 C ATOM 1387 CG ASN A 91 0.894 -3.769 13.405 1.00 23.13 C ATOM 1388 OD1 ASN A 91 1.625 -4.097 14.335 1.00 23.12 O ATOM 1389 ND2 ASN A 91 0.016 -4.610 12.885 1.00 55.21 N ATOM 0 H ASN A 91 -1.752 -1.858 12.604 1.00 5.32 H new ATOM 0 HA ASN A 91 0.409 -1.234 14.559 1.00 1.03 H new ATOM 0 HB2 ASN A 91 0.669 -2.418 11.750 1.00 3.15 H new ATOM 0 HB3 ASN A 91 1.997 -2.020 12.822 1.00 3.15 H new ATOM 0 HD21 ASN A 91 -0.066 -5.556 13.256 1.00 55.21 H new ATOM 0 HD22 ASN A 91 -0.580 -4.312 12.112 1.00 55.21 H new ATOM 1396 N PRO A 92 0.772 1.097 13.497 1.00 52.24 N ATOM 1397 CA PRO A 92 0.918 2.457 12.911 1.00 62.11 C ATOM 1398 C PRO A 92 1.890 2.482 11.703 1.00 25.12 C ATOM 1399 O PRO A 92 3.000 1.950 11.783 1.00 54.22 O ATOM 1400 CB PRO A 92 1.453 3.316 14.098 1.00 61.14 C ATOM 1401 CG PRO A 92 1.251 2.475 15.328 1.00 33.14 C ATOM 1402 CD PRO A 92 1.366 1.044 14.859 1.00 15.43 C ATOM 0 HA PRO A 92 -0.022 2.831 12.506 1.00 62.11 H new ATOM 0 HB2 PRO A 92 2.506 3.563 13.960 1.00 61.14 H new ATOM 0 HB3 PRO A 92 0.912 4.259 14.175 1.00 61.14 H new ATOM 0 HG2 PRO A 92 2.001 2.701 16.086 1.00 33.14 H new ATOM 0 HG3 PRO A 92 0.276 2.664 15.777 1.00 33.14 H new ATOM 0 HD2 PRO A 92 2.403 0.708 14.836 1.00 15.43 H new ATOM 0 HD3 PRO A 92 0.823 0.359 15.511 1.00 15.43 H new ATOM 1410 N ILE A 93 1.467 3.117 10.595 1.00 53.52 N ATOM 1411 CA ILE A 93 2.219 3.115 9.325 1.00 65.05 C ATOM 1412 C ILE A 93 2.869 4.483 9.041 1.00 31.04 C ATOM 1413 O ILE A 93 2.406 5.525 9.518 1.00 54.40 O ATOM 1414 CB ILE A 93 1.312 2.676 8.104 1.00 1.44 C ATOM 1415 CG1 ILE A 93 0.259 3.755 7.710 1.00 71.42 C ATOM 1416 CG2 ILE A 93 0.617 1.343 8.422 1.00 34.33 C ATOM 1417 CD1 ILE A 93 -0.688 3.346 6.587 1.00 73.22 C ATOM 0 H ILE A 93 0.596 3.646 10.554 1.00 53.52 H new ATOM 0 HA ILE A 93 3.014 2.378 9.439 1.00 65.05 H new ATOM 0 HB ILE A 93 1.970 2.555 7.244 1.00 1.44 H new ATOM 0 HG12 ILE A 93 -0.332 4.004 8.591 1.00 71.42 H new ATOM 0 HG13 ILE A 93 0.784 4.662 7.411 1.00 71.42 H new ATOM 0 HG21 ILE A 93 -0.006 1.047 7.578 1.00 34.33 H new ATOM 0 HG22 ILE A 93 1.369 0.575 8.606 1.00 34.33 H new ATOM 0 HG23 ILE A 93 -0.006 1.460 9.309 1.00 34.33 H new ATOM 0 HD11 ILE A 93 -1.384 4.160 6.383 1.00 73.22 H new ATOM 0 HD12 ILE A 93 -0.113 3.127 5.688 1.00 73.22 H new ATOM 0 HD13 ILE A 93 -1.246 2.459 6.886 1.00 73.22 H new ATOM 1429 N LYS A 94 3.965 4.454 8.278 1.00 14.45 N ATOM 1430 CA LYS A 94 4.636 5.653 7.758 1.00 30.55 C ATOM 1431 C LYS A 94 4.675 5.566 6.229 1.00 4.43 C ATOM 1432 O LYS A 94 5.138 4.566 5.675 1.00 41.23 O ATOM 1433 CB LYS A 94 6.060 5.798 8.361 1.00 22.04 C ATOM 1434 CG LYS A 94 6.895 6.956 7.746 1.00 31.11 C ATOM 1435 CD LYS A 94 8.002 7.493 8.679 1.00 44.31 C ATOM 1436 CE LYS A 94 7.427 8.190 9.926 1.00 42.22 C ATOM 1437 NZ LYS A 94 6.500 9.307 9.579 1.00 41.04 N ATOM 0 H LYS A 94 4.420 3.585 7.999 1.00 14.45 H new ATOM 0 HA LYS A 94 4.081 6.544 8.051 1.00 30.55 H new ATOM 0 HB2 LYS A 94 5.973 5.958 9.436 1.00 22.04 H new ATOM 0 HB3 LYS A 94 6.599 4.861 8.221 1.00 22.04 H new ATOM 0 HG2 LYS A 94 7.351 6.609 6.819 1.00 31.11 H new ATOM 0 HG3 LYS A 94 6.225 7.775 7.484 1.00 31.11 H new ATOM 0 HD2 LYS A 94 8.644 6.669 8.990 1.00 44.31 H new ATOM 0 HD3 LYS A 94 8.629 8.195 8.129 1.00 44.31 H new ATOM 0 HE2 LYS A 94 6.897 7.458 10.536 1.00 42.22 H new ATOM 0 HE3 LYS A 94 8.246 8.577 10.532 1.00 42.22 H new ATOM 0 HZ1 LYS A 94 6.233 9.818 10.444 1.00 41.04 H new ATOM 0 HZ2 LYS A 94 6.974 9.960 8.923 1.00 41.04 H new ATOM 0 HZ3 LYS A 94 5.646 8.922 9.127 1.00 41.04 H new ATOM 1451 N VAL A 95 4.186 6.615 5.552 1.00 21.40 N ATOM 1452 CA VAL A 95 3.970 6.598 4.092 1.00 44.33 C ATOM 1453 C VAL A 95 4.910 7.610 3.373 1.00 10.20 C ATOM 1454 O VAL A 95 5.208 8.683 3.900 1.00 53.11 O ATOM 1455 CB VAL A 95 2.460 6.899 3.742 1.00 63.54 C ATOM 1456 CG1 VAL A 95 2.167 6.637 2.237 1.00 23.34 C ATOM 1457 CG2 VAL A 95 1.492 6.084 4.638 1.00 13.24 C ATOM 0 H VAL A 95 3.929 7.497 5.996 1.00 21.40 H new ATOM 0 HA VAL A 95 4.212 5.598 3.733 1.00 44.33 H new ATOM 0 HB VAL A 95 2.288 7.956 3.943 1.00 63.54 H new ATOM 0 HG11 VAL A 95 1.119 6.853 2.027 1.00 23.34 H new ATOM 0 HG12 VAL A 95 2.800 7.280 1.626 1.00 23.34 H new ATOM 0 HG13 VAL A 95 2.376 5.593 2.002 1.00 23.34 H new ATOM 0 HG21 VAL A 95 0.462 6.318 4.368 1.00 13.24 H new ATOM 0 HG22 VAL A 95 1.672 5.019 4.493 1.00 13.24 H new ATOM 0 HG23 VAL A 95 1.660 6.342 5.684 1.00 13.24 H new ATOM 1467 N SER A 96 5.373 7.215 2.172 1.00 73.14 N ATOM 1468 CA SER A 96 6.263 8.011 1.273 1.00 44.13 C ATOM 1469 C SER A 96 5.920 7.682 -0.196 1.00 72.10 C ATOM 1470 O SER A 96 4.990 6.932 -0.438 1.00 13.01 O ATOM 1471 CB SER A 96 7.752 7.660 1.539 1.00 41.04 C ATOM 1472 OG SER A 96 8.104 7.861 2.897 1.00 24.32 O ATOM 0 H SER A 96 5.136 6.304 1.778 1.00 73.14 H new ATOM 0 HA SER A 96 6.109 9.072 1.468 1.00 44.13 H new ATOM 0 HB2 SER A 96 7.935 6.621 1.266 1.00 41.04 H new ATOM 0 HB3 SER A 96 8.390 8.274 0.903 1.00 41.04 H new ATOM 0 HG SER A 96 9.047 7.629 3.028 1.00 24.32 H new ATOM 1478 N PHE A 97 6.653 8.253 -1.177 1.00 63.24 N ATOM 1479 CA PHE A 97 6.572 7.802 -2.597 1.00 61.31 C ATOM 1480 C PHE A 97 7.562 6.640 -2.857 1.00 51.24 C ATOM 1481 O PHE A 97 8.639 6.588 -2.259 1.00 50.24 O ATOM 1482 CB PHE A 97 6.857 8.961 -3.597 1.00 4.14 C ATOM 1483 CG PHE A 97 5.740 9.995 -3.735 1.00 53.32 C ATOM 1484 CD1 PHE A 97 4.517 9.639 -4.301 1.00 60.34 C ATOM 1485 CD2 PHE A 97 5.910 11.317 -3.314 1.00 31.24 C ATOM 1486 CE1 PHE A 97 3.503 10.567 -4.437 1.00 65.53 C ATOM 1487 CE2 PHE A 97 4.895 12.244 -3.454 1.00 14.14 C ATOM 1488 CZ PHE A 97 3.692 11.866 -4.015 1.00 54.23 C ATOM 0 H PHE A 97 7.305 9.022 -1.020 1.00 63.24 H new ATOM 0 HA PHE A 97 5.551 7.457 -2.762 1.00 61.31 H new ATOM 0 HB2 PHE A 97 7.767 9.473 -3.284 1.00 4.14 H new ATOM 0 HB3 PHE A 97 7.055 8.531 -4.579 1.00 4.14 H new ATOM 0 HD1 PHE A 97 4.360 8.625 -4.637 1.00 60.34 H new ATOM 0 HD2 PHE A 97 6.849 11.618 -2.873 1.00 31.24 H new ATOM 0 HE1 PHE A 97 2.560 10.274 -4.875 1.00 65.53 H new ATOM 0 HE2 PHE A 97 5.043 13.262 -3.125 1.00 14.14 H new ATOM 0 HZ PHE A 97 2.897 12.589 -4.124 1.00 54.23 H new ATOM 1498 N ALA A 98 7.183 5.726 -3.771 1.00 43.22 N ATOM 1499 CA ALA A 98 8.033 4.591 -4.195 1.00 31.24 C ATOM 1500 C ALA A 98 8.901 5.011 -5.397 1.00 10.23 C ATOM 1501 O ALA A 98 8.504 4.846 -6.557 1.00 31.11 O ATOM 1502 CB ALA A 98 7.165 3.367 -4.535 1.00 73.21 C ATOM 0 H ALA A 98 6.277 5.752 -4.239 1.00 43.22 H new ATOM 0 HA ALA A 98 8.694 4.311 -3.374 1.00 31.24 H new ATOM 0 HB1 ALA A 98 7.806 2.541 -4.845 1.00 73.21 H new ATOM 0 HB2 ALA A 98 6.592 3.072 -3.656 1.00 73.21 H new ATOM 0 HB3 ALA A 98 6.481 3.620 -5.345 1.00 73.21 H new ATOM 1508 N THR A 99 10.057 5.619 -5.099 1.00 73.25 N ATOM 1509 CA THR A 99 10.972 6.189 -6.117 1.00 23.05 C ATOM 1510 C THR A 99 12.466 6.045 -5.685 1.00 0.52 C ATOM 1511 O THR A 99 12.855 6.599 -4.636 1.00 1.32 O ATOM 1512 CB THR A 99 10.608 7.693 -6.433 1.00 13.15 C ATOM 1513 OG1 THR A 99 11.630 8.297 -7.251 1.00 31.43 O ATOM 1514 CG2 THR A 99 10.377 8.545 -5.159 1.00 60.11 C ATOM 1515 OXT THR A 99 13.240 5.353 -6.381 1.00 38.17 O ATOM 0 H THR A 99 10.392 5.734 -4.142 1.00 73.25 H new ATOM 0 HA THR A 99 10.841 5.617 -7.035 1.00 23.05 H new ATOM 0 HB THR A 99 9.663 7.673 -6.976 1.00 13.15 H new ATOM 0 HG1 THR A 99 11.390 9.228 -7.440 1.00 31.43 H new ATOM 0 HG21 THR A 99 10.131 9.568 -5.445 1.00 60.11 H new ATOM 0 HG22 THR A 99 9.555 8.121 -4.582 1.00 60.11 H new ATOM 0 HG23 THR A 99 11.283 8.546 -4.553 1.00 60.11 H new TER 1523 THR A 99