USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 598 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 59 THR OG1 : rot -83:sc= 1.43 USER MOD Set 1.2: A 62 SER OG : rot -160:sc= 1.04 USER MOD Single : A 1 GLU N :NH3+ -154:sc= -4.24! (180deg=-6.02!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot -59:sc= 0.712 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.14! K(o=-1.1!,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 50:sc= 0.817 USER MOD Single : A 40 CYS SG : rot -90:sc= 1.61 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.0276 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.47 K(o=-2.5,f=-1.7) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 47 GLN : amide:sc= -2.4! C(o=-2.4!,f=-5!) USER MOD Single : A 48 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.54) USER MOD Single : A 50 THR OG1 : rot -77:sc= 0.519 USER MOD Single : A 63 SER OG : rot -99:sc= 1.19 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.920 -28.132 -2.644 1.00 0.00 N ATOM 2 CA GLU A 1 13.208 -28.735 -3.087 1.00 0.00 C ATOM 3 C GLU A 1 13.940 -29.309 -1.879 1.00 0.00 C ATOM 4 O GLU A 1 14.931 -30.025 -2.026 1.00 0.00 O ATOM 5 CB GLU A 1 14.068 -27.660 -3.756 1.00 0.00 C ATOM 6 CG GLU A 1 13.359 -27.142 -5.009 1.00 0.00 C ATOM 7 CD GLU A 1 13.275 -28.247 -6.057 1.00 0.00 C ATOM 8 OE1 GLU A 1 13.991 -29.224 -5.917 1.00 0.00 O ATOM 9 OE2 GLU A 1 12.497 -28.098 -6.986 1.00 0.00 O ATOM 0 H1 GLU A 1 11.242 -28.143 -3.433 1.00 0.00 H new ATOM 0 H2 GLU A 1 11.535 -28.681 -1.849 1.00 0.00 H new ATOM 0 H3 GLU A 1 12.082 -27.151 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 1 13.014 -29.535 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 1 14.247 -26.839 -3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 1 15.042 -28.072 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 1 12.358 -26.796 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 1 13.898 -26.286 -5.414 1.00 0.00 H new ATOM 18 N SER A 2 13.444 -28.993 -0.686 1.00 0.00 N ATOM 19 CA SER A 2 14.058 -29.484 0.543 1.00 0.00 C ATOM 20 C SER A 2 12.984 -29.951 1.526 1.00 0.00 C ATOM 21 O SER A 2 11.812 -29.601 1.388 1.00 0.00 O ATOM 22 CB SER A 2 14.893 -28.376 1.186 1.00 0.00 C ATOM 23 OG SER A 2 14.730 -27.175 0.444 1.00 0.00 O ATOM 0 H SER A 2 12.624 -28.403 -0.545 1.00 0.00 H new ATOM 0 HA SER A 2 14.702 -30.328 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.582 -28.224 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.944 -28.663 1.208 1.00 0.00 H new ATOM 0 HG SER A 2 15.263 -26.462 0.854 1.00 0.00 H new ATOM 29 N PRO A 3 13.360 -30.730 2.509 1.00 0.00 N ATOM 30 CA PRO A 3 12.405 -31.251 3.532 1.00 0.00 C ATOM 31 C PRO A 3 11.898 -30.150 4.459 1.00 0.00 C ATOM 32 O PRO A 3 10.868 -30.303 5.116 1.00 0.00 O ATOM 33 CB PRO A 3 13.224 -32.283 4.310 1.00 0.00 C ATOM 34 CG PRO A 3 14.650 -31.888 4.117 1.00 0.00 C ATOM 35 CD PRO A 3 14.733 -31.200 2.755 1.00 0.00 C ATOM 0 HA PRO A 3 11.510 -31.672 3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.956 -32.281 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.042 -33.291 3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.977 -31.216 4.911 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.302 -32.761 4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.442 -30.372 2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.064 -31.890 1.979 1.00 0.00 H new ATOM 43 N LYS A 4 12.629 -29.041 4.508 1.00 0.00 N ATOM 44 CA LYS A 4 12.245 -27.921 5.360 1.00 0.00 C ATOM 45 C LYS A 4 11.067 -27.165 4.755 1.00 0.00 C ATOM 46 O LYS A 4 10.534 -26.237 5.365 1.00 0.00 O ATOM 47 CB LYS A 4 13.430 -26.967 5.533 1.00 0.00 C ATOM 48 CG LYS A 4 14.675 -27.760 5.941 1.00 0.00 C ATOM 49 CD LYS A 4 14.434 -28.448 7.287 1.00 0.00 C ATOM 50 CE LYS A 4 15.779 -28.768 7.942 1.00 0.00 C ATOM 51 NZ LYS A 4 16.238 -27.592 8.735 1.00 0.00 N ATOM 0 H LYS A 4 13.484 -28.894 3.972 1.00 0.00 H new ATOM 0 HA LYS A 4 11.948 -28.314 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.617 -26.431 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.199 -26.218 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.910 -28.503 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.535 -27.094 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.845 -27.802 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.860 -29.364 7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.682 -29.640 8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.517 -29.016 7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.152 -27.809 9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.345 -26.770 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.537 -27.375 9.472 1.00 0.00 H new ATOM 65 N GLU A 5 10.667 -27.564 3.552 1.00 0.00 N ATOM 66 CA GLU A 5 9.551 -26.914 2.875 1.00 0.00 C ATOM 67 C GLU A 5 8.231 -27.583 3.248 1.00 0.00 C ATOM 68 O GLU A 5 8.191 -28.780 3.532 1.00 0.00 O ATOM 69 CB GLU A 5 9.750 -26.980 1.360 1.00 0.00 C ATOM 70 CG GLU A 5 11.034 -26.242 0.981 1.00 0.00 C ATOM 71 CD GLU A 5 11.194 -26.218 -0.536 1.00 0.00 C ATOM 72 OE1 GLU A 5 10.419 -26.883 -1.203 1.00 0.00 O ATOM 73 OE2 GLU A 5 12.089 -25.536 -1.007 1.00 0.00 O ATOM 0 H GLU A 5 11.095 -28.328 3.029 1.00 0.00 H new ATOM 0 HA GLU A 5 9.517 -25.872 3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.806 -28.019 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.897 -26.532 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.005 -25.223 1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.893 -26.733 1.438 1.00 0.00 H new ATOM 80 N HIS A 6 7.156 -26.801 3.240 1.00 0.00 N ATOM 81 CA HIS A 6 5.836 -27.323 3.578 1.00 0.00 C ATOM 82 C HIS A 6 4.993 -27.503 2.319 1.00 0.00 C ATOM 83 O HIS A 6 5.172 -26.788 1.334 1.00 0.00 O ATOM 84 CB HIS A 6 5.126 -26.364 4.536 1.00 0.00 C ATOM 85 CG HIS A 6 5.967 -26.172 5.769 1.00 0.00 C ATOM 86 ND1 HIS A 6 6.148 -27.178 6.704 1.00 0.00 N ATOM 87 CD2 HIS A 6 6.681 -25.096 6.233 1.00 0.00 C ATOM 88 CE1 HIS A 6 6.944 -26.692 7.674 1.00 0.00 C ATOM 89 NE2 HIS A 6 7.297 -25.426 7.436 1.00 0.00 N ATOM 0 H HIS A 6 7.172 -25.809 3.005 1.00 0.00 H new ATOM 0 HA HIS A 6 5.961 -28.293 4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.955 -25.405 4.047 1.00 0.00 H new ATOM 0 HB3 HIS A 6 4.149 -26.762 4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 6 6.754 -24.138 5.739 1.00 0.00 H new ATOM 0 HE1 HIS A 6 7.259 -27.257 8.539 1.00 0.00 H new ATOM 0 HE2 HIS A 6 7.891 -24.829 8.012 1.00 0.00 H new ATOM 98 N ASP A 7 4.074 -28.464 2.358 1.00 0.00 N ATOM 99 CA ASP A 7 3.212 -28.727 1.212 1.00 0.00 C ATOM 100 C ASP A 7 2.134 -27.648 1.097 1.00 0.00 C ATOM 101 O ASP A 7 1.866 -26.924 2.056 1.00 0.00 O ATOM 102 CB ASP A 7 2.551 -30.100 1.353 1.00 0.00 C ATOM 103 CG ASP A 7 2.898 -30.713 2.706 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.963 -31.299 2.813 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.094 -30.588 3.615 1.00 0.00 O ATOM 0 H ASP A 7 3.909 -29.068 3.163 1.00 0.00 H new ATOM 0 HA ASP A 7 3.824 -28.714 0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.470 -30.003 1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.886 -30.757 0.551 1.00 0.00 H new ATOM 110 N PRO A 8 1.514 -27.531 -0.052 1.00 0.00 N ATOM 111 CA PRO A 8 0.444 -26.516 -0.286 1.00 0.00 C ATOM 112 C PRO A 8 -0.830 -26.828 0.497 1.00 0.00 C ATOM 113 O PRO A 8 -1.602 -25.929 0.826 1.00 0.00 O ATOM 114 CB PRO A 8 0.189 -26.591 -1.794 1.00 0.00 C ATOM 115 CG PRO A 8 0.644 -27.949 -2.210 1.00 0.00 C ATOM 116 CD PRO A 8 1.763 -28.349 -1.249 1.00 0.00 C ATOM 0 HA PRO A 8 0.746 -25.524 0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.867 -26.445 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.739 -25.814 -2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.178 -28.663 -2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.003 -27.939 -3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.730 -29.414 -1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.746 -28.146 -1.674 1.00 0.00 H new ATOM 124 N PHE A 9 -1.042 -28.108 0.789 1.00 0.00 N ATOM 125 CA PHE A 9 -2.227 -28.524 1.529 1.00 0.00 C ATOM 126 C PHE A 9 -2.335 -27.759 2.845 1.00 0.00 C ATOM 127 O PHE A 9 -3.421 -27.332 3.238 1.00 0.00 O ATOM 128 CB PHE A 9 -2.165 -30.025 1.816 1.00 0.00 C ATOM 129 CG PHE A 9 -3.404 -30.446 2.568 1.00 0.00 C ATOM 130 CD1 PHE A 9 -4.564 -30.795 1.866 1.00 0.00 C ATOM 131 CD2 PHE A 9 -3.395 -30.485 3.968 1.00 0.00 C ATOM 132 CE1 PHE A 9 -5.713 -31.185 2.564 1.00 0.00 C ATOM 133 CE2 PHE A 9 -4.544 -30.875 4.665 1.00 0.00 C ATOM 134 CZ PHE A 9 -5.704 -31.225 3.964 1.00 0.00 C ATOM 0 H PHE A 9 -0.415 -28.868 0.527 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.105 -28.306 0.921 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.087 -30.582 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.275 -30.258 2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.572 -30.763 0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.501 -30.214 4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.607 -31.455 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.536 -30.906 5.745 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.591 -31.526 4.502 1.00 0.00 H new ATOM 144 N THR A 10 -1.204 -27.596 3.522 1.00 0.00 N ATOM 145 CA THR A 10 -1.184 -26.884 4.795 1.00 0.00 C ATOM 146 C THR A 10 -1.373 -25.387 4.578 1.00 0.00 C ATOM 147 O THR A 10 -1.589 -24.638 5.531 1.00 0.00 O ATOM 148 CB THR A 10 0.144 -27.134 5.512 1.00 0.00 C ATOM 149 OG1 THR A 10 1.202 -26.553 4.763 1.00 0.00 O ATOM 150 CG2 THR A 10 0.378 -28.639 5.647 1.00 0.00 C ATOM 0 H THR A 10 -0.296 -27.944 3.214 1.00 0.00 H new ATOM 0 HA THR A 10 -2.005 -27.255 5.409 1.00 0.00 H new ATOM 0 HB THR A 10 0.112 -26.684 6.504 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.219 -26.943 3.864 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.324 -28.816 6.158 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.434 -29.083 6.223 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.410 -29.092 4.656 1.00 0.00 H new ATOM 158 N TYR A 11 -1.284 -24.959 3.319 1.00 0.00 N ATOM 159 CA TYR A 11 -1.442 -23.547 2.980 1.00 0.00 C ATOM 160 C TYR A 11 -2.754 -23.303 2.243 1.00 0.00 C ATOM 161 O TYR A 11 -3.098 -24.023 1.306 1.00 0.00 O ATOM 162 CB TYR A 11 -0.275 -23.092 2.104 1.00 0.00 C ATOM 163 CG TYR A 11 0.824 -22.542 2.979 1.00 0.00 C ATOM 164 CD1 TYR A 11 1.649 -23.416 3.697 1.00 0.00 C ATOM 165 CD2 TYR A 11 1.016 -21.159 3.075 1.00 0.00 C ATOM 166 CE1 TYR A 11 2.667 -22.906 4.510 1.00 0.00 C ATOM 167 CE2 TYR A 11 2.035 -20.648 3.888 1.00 0.00 C ATOM 168 CZ TYR A 11 2.861 -21.522 4.605 1.00 0.00 C ATOM 169 OH TYR A 11 3.864 -21.020 5.406 1.00 0.00 O ATOM 0 H TYR A 11 -1.104 -25.568 2.521 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.454 -22.974 3.907 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.099 -23.929 1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.610 -22.330 1.400 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.500 -24.483 3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.378 -20.486 2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.303 -23.580 5.065 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.184 -19.581 3.962 1.00 0.00 H new ATOM 0 HH TYR A 11 3.862 -20.041 5.358 1.00 0.00 H new ATOM 179 N ASP A 12 -3.475 -22.273 2.671 1.00 0.00 N ATOM 180 CA ASP A 12 -4.747 -21.924 2.049 1.00 0.00 C ATOM 181 C ASP A 12 -4.898 -20.407 1.988 1.00 0.00 C ATOM 182 O ASP A 12 -5.867 -19.888 1.435 1.00 0.00 O ATOM 183 CB ASP A 12 -5.901 -22.527 2.850 1.00 0.00 C ATOM 184 CG ASP A 12 -7.218 -22.309 2.114 1.00 0.00 C ATOM 185 OD1 ASP A 12 -7.174 -21.829 0.992 1.00 0.00 O ATOM 186 OD2 ASP A 12 -8.251 -22.623 2.681 1.00 0.00 O ATOM 0 H ASP A 12 -3.202 -21.666 3.444 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.767 -22.325 1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.732 -23.593 3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.947 -22.069 3.838 1.00 0.00 H new ATOM 191 N TYR A 13 -3.925 -19.708 2.563 1.00 0.00 N ATOM 192 CA TYR A 13 -3.939 -18.252 2.578 1.00 0.00 C ATOM 193 C TYR A 13 -3.531 -17.699 1.218 1.00 0.00 C ATOM 194 O TYR A 13 -2.911 -16.645 1.134 1.00 0.00 O ATOM 195 CB TYR A 13 -2.969 -17.741 3.646 1.00 0.00 C ATOM 196 CG TYR A 13 -3.307 -18.376 4.972 1.00 0.00 C ATOM 197 CD1 TYR A 13 -4.425 -17.942 5.694 1.00 0.00 C ATOM 198 CD2 TYR A 13 -2.502 -19.403 5.481 1.00 0.00 C ATOM 199 CE1 TYR A 13 -4.739 -18.534 6.923 1.00 0.00 C ATOM 200 CE2 TYR A 13 -2.816 -19.995 6.710 1.00 0.00 C ATOM 201 CZ TYR A 13 -3.934 -19.560 7.430 1.00 0.00 C ATOM 202 OH TYR A 13 -4.242 -20.145 8.642 1.00 0.00 O ATOM 0 H TYR A 13 -3.118 -20.127 3.024 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.950 -17.915 2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.943 -17.980 3.366 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.033 -16.656 3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.046 -17.150 5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.639 -19.738 4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.602 -18.199 7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.196 -20.787 7.102 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.583 -20.841 8.846 1.00 0.00 H new ATOM 212 N GLN A 14 -3.872 -18.423 0.158 1.00 0.00 N ATOM 213 CA GLN A 14 -3.513 -17.997 -1.193 1.00 0.00 C ATOM 214 C GLN A 14 -3.933 -16.552 -1.456 1.00 0.00 C ATOM 215 O GLN A 14 -3.138 -15.748 -1.938 1.00 0.00 O ATOM 216 CB GLN A 14 -4.188 -18.909 -2.219 1.00 0.00 C ATOM 217 CG GLN A 14 -3.645 -20.331 -2.079 1.00 0.00 C ATOM 218 CD GLN A 14 -4.247 -21.224 -3.159 1.00 0.00 C ATOM 219 OE1 GLN A 14 -3.891 -22.397 -3.265 1.00 0.00 O ATOM 220 NE2 GLN A 14 -5.144 -20.733 -3.970 1.00 0.00 N ATOM 0 H GLN A 14 -4.391 -19.300 0.204 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.429 -18.063 -1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.268 -18.905 -2.069 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.005 -18.537 -3.227 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.558 -20.325 -2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.886 -20.726 -1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.436 -19.760 -3.879 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.553 -21.322 -4.695 1.00 0.00 H new ATOM 229 N SER A 15 -5.186 -16.233 -1.157 1.00 0.00 N ATOM 230 CA SER A 15 -5.692 -14.882 -1.390 1.00 0.00 C ATOM 231 C SER A 15 -5.356 -13.936 -0.236 1.00 0.00 C ATOM 232 O SER A 15 -5.185 -12.735 -0.442 1.00 0.00 O ATOM 233 CB SER A 15 -7.207 -14.928 -1.585 1.00 0.00 C ATOM 234 OG SER A 15 -7.832 -15.270 -0.355 1.00 0.00 O ATOM 0 H SER A 15 -5.865 -16.881 -0.757 1.00 0.00 H new ATOM 0 HA SER A 15 -5.206 -14.498 -2.287 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.569 -13.961 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.464 -15.659 -2.352 1.00 0.00 H new ATOM 0 HG SER A 15 -8.804 -15.298 -0.479 1.00 0.00 H new ATOM 240 N LEU A 16 -5.285 -14.475 0.977 1.00 0.00 N ATOM 241 CA LEU A 16 -4.995 -13.655 2.153 1.00 0.00 C ATOM 242 C LEU A 16 -3.502 -13.338 2.278 1.00 0.00 C ATOM 243 O LEU A 16 -3.095 -12.621 3.190 1.00 0.00 O ATOM 244 CB LEU A 16 -5.475 -14.366 3.422 1.00 0.00 C ATOM 245 CG LEU A 16 -5.845 -13.326 4.482 1.00 0.00 C ATOM 246 CD1 LEU A 16 -7.304 -12.907 4.299 1.00 0.00 C ATOM 247 CD2 LEU A 16 -5.663 -13.933 5.875 1.00 0.00 C ATOM 0 H LEU A 16 -5.423 -15.467 1.173 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.529 -12.713 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.338 -14.993 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.693 -15.024 3.801 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.200 -12.454 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.567 -12.166 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.437 -12.477 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.949 -13.779 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.926 -13.194 6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.309 -14.805 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.624 -14.234 6.008 1.00 0.00 H new ATOM 259 N GLN A 17 -2.686 -13.881 1.378 1.00 0.00 N ATOM 260 CA GLN A 17 -1.245 -13.638 1.438 1.00 0.00 C ATOM 261 C GLN A 17 -0.898 -12.221 0.982 1.00 0.00 C ATOM 262 O GLN A 17 -0.191 -11.494 1.679 1.00 0.00 O ATOM 263 CB GLN A 17 -0.494 -14.646 0.561 1.00 0.00 C ATOM 264 CG GLN A 17 1.011 -14.533 0.813 1.00 0.00 C ATOM 265 CD GLN A 17 1.530 -15.825 1.432 1.00 0.00 C ATOM 266 OE1 GLN A 17 2.308 -16.546 0.807 1.00 0.00 O ATOM 267 NE2 GLN A 17 1.140 -16.167 2.631 1.00 0.00 N ATOM 0 H GLN A 17 -2.989 -14.482 0.611 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.939 -13.756 2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.834 -15.658 0.782 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.711 -14.459 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.532 -14.333 -0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.216 -13.693 1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.495 -15.569 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.480 -17.032 3.050 1.00 0.00 H new ATOM 276 N ILE A 18 -1.381 -11.840 -0.198 1.00 0.00 N ATOM 277 CA ILE A 18 -1.090 -10.513 -0.737 1.00 0.00 C ATOM 278 C ILE A 18 -2.142 -9.496 -0.294 1.00 0.00 C ATOM 279 O ILE A 18 -1.931 -8.288 -0.389 1.00 0.00 O ATOM 280 CB ILE A 18 -1.044 -10.575 -2.267 1.00 0.00 C ATOM 281 CG1 ILE A 18 -0.297 -11.838 -2.710 1.00 0.00 C ATOM 282 CG2 ILE A 18 -0.321 -9.341 -2.818 1.00 0.00 C ATOM 283 CD1 ILE A 18 1.043 -11.940 -1.971 1.00 0.00 C ATOM 0 H ILE A 18 -1.969 -12.423 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.121 -10.193 -0.353 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.064 -10.599 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.903 -12.720 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.127 -11.812 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.292 -9.392 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.853 -8.440 -2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.697 -9.312 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.568 -12.840 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.652 -11.065 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.863 -11.988 -0.897 1.00 0.00 H new ATOM 295 N GLY A 19 -3.277 -9.992 0.183 1.00 0.00 N ATOM 296 CA GLY A 19 -4.358 -9.115 0.629 1.00 0.00 C ATOM 297 C GLY A 19 -3.833 -7.964 1.484 1.00 0.00 C ATOM 298 O GLY A 19 -3.424 -6.924 0.963 1.00 0.00 O ATOM 0 H GLY A 19 -3.474 -10.989 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.883 -8.714 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.083 -9.693 1.202 1.00 0.00 H new ATOM 302 N GLY A 20 -3.866 -8.160 2.799 1.00 0.00 N ATOM 303 CA GLY A 20 -3.411 -7.144 3.748 1.00 0.00 C ATOM 304 C GLY A 20 -2.225 -6.345 3.217 1.00 0.00 C ATOM 305 O GLY A 20 -2.038 -5.183 3.580 1.00 0.00 O ATOM 0 H GLY A 20 -4.205 -9.018 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.233 -6.464 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.132 -7.625 4.685 1.00 0.00 H new ATOM 309 N LEU A 21 -1.417 -6.969 2.373 1.00 0.00 N ATOM 310 CA LEU A 21 -0.244 -6.300 1.823 1.00 0.00 C ATOM 311 C LEU A 21 -0.625 -5.235 0.795 1.00 0.00 C ATOM 312 O LEU A 21 -0.128 -4.110 0.846 1.00 0.00 O ATOM 313 CB LEU A 21 0.677 -7.332 1.168 1.00 0.00 C ATOM 314 CG LEU A 21 1.709 -7.814 2.186 1.00 0.00 C ATOM 315 CD1 LEU A 21 0.994 -8.361 3.424 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.559 -8.921 1.557 1.00 0.00 C ATOM 0 H LEU A 21 -1.549 -7.929 2.055 1.00 0.00 H new ATOM 0 HA LEU A 21 0.270 -5.804 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.092 -8.175 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.179 -6.892 0.306 1.00 0.00 H new ATOM 0 HG LEU A 21 2.349 -6.981 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.732 -8.704 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.386 -7.574 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.354 -9.195 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.297 -9.268 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.917 -9.752 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.069 -8.532 0.676 1.00 0.00 H new ATOM 328 N VAL A 22 -1.488 -5.598 -0.147 1.00 0.00 N ATOM 329 CA VAL A 22 -1.896 -4.659 -1.190 1.00 0.00 C ATOM 330 C VAL A 22 -2.745 -3.518 -0.631 1.00 0.00 C ATOM 331 O VAL A 22 -2.476 -2.349 -0.903 1.00 0.00 O ATOM 332 CB VAL A 22 -2.694 -5.399 -2.263 1.00 0.00 C ATOM 333 CG1 VAL A 22 -3.504 -4.391 -3.082 1.00 0.00 C ATOM 334 CG2 VAL A 22 -1.733 -6.144 -3.189 1.00 0.00 C ATOM 0 H VAL A 22 -1.915 -6.522 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.991 -4.228 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.369 -6.110 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.073 -4.918 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.189 -3.855 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.827 -3.681 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.301 -6.672 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.059 -5.431 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.152 -6.861 -2.609 1.00 0.00 H new ATOM 344 N ILE A 23 -3.772 -3.856 0.139 1.00 0.00 N ATOM 345 CA ILE A 23 -4.651 -2.834 0.707 1.00 0.00 C ATOM 346 C ILE A 23 -3.876 -1.902 1.635 1.00 0.00 C ATOM 347 O ILE A 23 -4.117 -0.693 1.658 1.00 0.00 O ATOM 348 CB ILE A 23 -5.801 -3.496 1.475 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.230 -4.452 2.524 1.00 0.00 C ATOM 350 CG2 ILE A 23 -6.683 -4.287 0.503 1.00 0.00 C ATOM 351 CD1 ILE A 23 -6.375 -5.207 3.201 1.00 0.00 C ATOM 0 H ILE A 23 -4.017 -4.815 0.384 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.059 -2.242 -0.113 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.397 -2.725 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.543 -5.156 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.658 -3.895 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.499 -4.756 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.092 -3.612 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.086 -5.056 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.969 -5.889 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.045 -4.495 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.928 -5.776 2.453 1.00 0.00 H new ATOM 363 N ALA A 24 -2.949 -2.466 2.400 1.00 0.00 N ATOM 364 CA ALA A 24 -2.153 -1.671 3.327 1.00 0.00 C ATOM 365 C ALA A 24 -1.306 -0.647 2.578 1.00 0.00 C ATOM 366 O ALA A 24 -1.190 0.507 2.996 1.00 0.00 O ATOM 367 CB ALA A 24 -1.245 -2.591 4.145 1.00 0.00 C ATOM 0 H ALA A 24 -2.731 -3.462 2.397 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.831 -1.136 3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.651 -1.994 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.855 -3.298 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.581 -3.137 3.475 1.00 0.00 H new ATOM 373 N GLY A 25 -0.711 -1.080 1.472 1.00 0.00 N ATOM 374 CA GLY A 25 0.133 -0.199 0.672 1.00 0.00 C ATOM 375 C GLY A 25 -0.667 0.955 0.077 1.00 0.00 C ATOM 376 O GLY A 25 -0.171 2.076 -0.018 1.00 0.00 O ATOM 0 H GLY A 25 -0.796 -2.030 1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.938 0.197 1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.600 -0.771 -0.130 1.00 0.00 H new ATOM 380 N ILE A 26 -1.901 0.676 -0.335 1.00 0.00 N ATOM 381 CA ILE A 26 -2.744 1.709 -0.931 1.00 0.00 C ATOM 382 C ILE A 26 -3.057 2.817 0.071 1.00 0.00 C ATOM 383 O ILE A 26 -3.013 4.000 -0.271 1.00 0.00 O ATOM 384 CB ILE A 26 -4.048 1.094 -1.440 1.00 0.00 C ATOM 385 CG1 ILE A 26 -3.734 0.148 -2.604 1.00 0.00 C ATOM 386 CG2 ILE A 26 -4.983 2.210 -1.920 1.00 0.00 C ATOM 387 CD1 ILE A 26 -4.979 -0.663 -2.978 1.00 0.00 C ATOM 0 H ILE A 26 -2.335 -0.244 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.196 2.146 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.534 0.538 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.392 0.721 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.923 -0.525 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.913 1.774 -2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.198 2.886 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.503 2.765 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.743 -1.331 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.302 -1.250 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.779 0.015 -3.276 1.00 0.00 H new ATOM 399 N LEU A 27 -3.384 2.439 1.305 1.00 0.00 N ATOM 400 CA LEU A 27 -3.711 3.433 2.327 1.00 0.00 C ATOM 401 C LEU A 27 -2.513 4.346 2.594 1.00 0.00 C ATOM 402 O LEU A 27 -2.649 5.568 2.634 1.00 0.00 O ATOM 403 CB LEU A 27 -4.134 2.730 3.624 1.00 0.00 C ATOM 404 CG LEU A 27 -4.647 3.759 4.643 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.929 4.432 4.130 1.00 0.00 C ATOM 406 CD2 LEU A 27 -4.948 3.050 5.963 1.00 0.00 C ATOM 0 H LEU A 27 -3.430 1.470 1.619 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.537 4.044 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.913 1.998 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.289 2.184 4.042 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.882 4.522 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.278 5.158 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.721 4.940 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.699 3.676 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.313 3.775 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.708 2.286 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.038 2.583 6.341 1.00 0.00 H new ATOM 418 N PHE A 28 -1.343 3.742 2.768 1.00 0.00 N ATOM 419 CA PHE A 28 -0.123 4.496 3.021 1.00 0.00 C ATOM 420 C PHE A 28 0.265 5.312 1.791 1.00 0.00 C ATOM 421 O PHE A 28 0.625 6.477 1.902 1.00 0.00 O ATOM 422 CB PHE A 28 1.021 3.537 3.369 1.00 0.00 C ATOM 423 CG PHE A 28 0.997 3.220 4.848 1.00 0.00 C ATOM 424 CD1 PHE A 28 -0.161 2.691 5.429 1.00 0.00 C ATOM 425 CD2 PHE A 28 2.134 3.448 5.637 1.00 0.00 C ATOM 426 CE1 PHE A 28 -0.185 2.389 6.795 1.00 0.00 C ATOM 427 CE2 PHE A 28 2.110 3.146 7.004 1.00 0.00 C ATOM 428 CZ PHE A 28 0.950 2.616 7.583 1.00 0.00 C ATOM 0 H PHE A 28 -1.214 2.731 2.738 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.304 5.172 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.926 2.618 2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.977 3.985 3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.037 2.516 4.822 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.028 3.857 5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.079 1.981 7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.985 3.322 7.612 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.931 2.382 8.637 1.00 0.00 H new ATOM 438 N ILE A 29 0.175 4.688 0.618 1.00 0.00 N ATOM 439 CA ILE A 29 0.509 5.365 -0.632 1.00 0.00 C ATOM 440 C ILE A 29 -0.379 6.583 -0.785 1.00 0.00 C ATOM 441 O ILE A 29 0.084 7.669 -1.137 1.00 0.00 O ATOM 442 CB ILE A 29 0.322 4.424 -1.823 1.00 0.00 C ATOM 443 CG1 ILE A 29 1.530 3.488 -1.920 1.00 0.00 C ATOM 444 CG2 ILE A 29 0.206 5.244 -3.111 1.00 0.00 C ATOM 445 CD1 ILE A 29 1.215 2.341 -2.881 1.00 0.00 C ATOM 0 H ILE A 29 -0.125 3.719 0.508 1.00 0.00 H new ATOM 0 HA ILE A 29 1.555 5.672 -0.606 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.586 3.837 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.403 4.039 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.777 3.093 -0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.073 4.572 -3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.651 5.913 -3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.114 5.831 -3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.076 1.676 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.354 1.783 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.990 2.745 -3.868 1.00 0.00 H new ATOM 457 N LEU A 30 -1.644 6.411 -0.437 1.00 0.00 N ATOM 458 CA LEU A 30 -2.571 7.504 -0.447 1.00 0.00 C ATOM 459 C LEU A 30 -2.069 8.444 0.608 1.00 0.00 C ATOM 460 O LEU A 30 -2.181 9.658 0.506 1.00 0.00 O ATOM 461 CB LEU A 30 -3.992 7.038 -0.112 1.00 0.00 C ATOM 462 CG LEU A 30 -4.821 6.944 -1.394 1.00 0.00 C ATOM 463 CD1 LEU A 30 -6.032 6.041 -1.157 1.00 0.00 C ATOM 464 CD2 LEU A 30 -5.303 8.342 -1.791 1.00 0.00 C ATOM 0 H LEU A 30 -2.042 5.518 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.629 7.970 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.959 6.067 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.459 7.735 0.584 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.207 6.527 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.621 5.975 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.693 5.045 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.646 6.458 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.894 8.277 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.916 8.756 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.442 8.989 -1.961 1.00 0.00 H new ATOM 476 N GLY A 31 -1.512 7.825 1.643 1.00 0.00 N ATOM 477 CA GLY A 31 -0.974 8.576 2.773 1.00 0.00 C ATOM 478 C GLY A 31 0.113 9.567 2.339 1.00 0.00 C ATOM 479 O GLY A 31 0.052 10.749 2.675 1.00 0.00 O ATOM 0 H GLY A 31 -1.421 6.812 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.782 9.117 3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.561 7.883 3.505 1.00 0.00 H new ATOM 483 N ILE A 32 1.115 9.080 1.607 1.00 0.00 N ATOM 484 CA ILE A 32 2.209 9.941 1.159 1.00 0.00 C ATOM 485 C ILE A 32 1.715 10.978 0.156 1.00 0.00 C ATOM 486 O ILE A 32 2.066 12.154 0.246 1.00 0.00 O ATOM 487 CB ILE A 32 3.312 9.104 0.503 1.00 0.00 C ATOM 488 CG1 ILE A 32 3.610 7.866 1.356 1.00 0.00 C ATOM 489 CG2 ILE A 32 4.583 9.945 0.377 1.00 0.00 C ATOM 490 CD1 ILE A 32 3.806 8.274 2.817 1.00 0.00 C ATOM 0 H ILE A 32 1.192 8.106 1.315 1.00 0.00 H new ATOM 0 HA ILE A 32 2.605 10.453 2.036 1.00 0.00 H new ATOM 0 HB ILE A 32 2.977 8.788 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.790 7.153 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.505 7.366 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.368 9.350 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.379 10.822 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.909 10.263 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.017 7.389 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.641 8.971 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.899 8.754 3.186 1.00 0.00 H new ATOM 502 N LEU A 33 0.900 10.541 -0.796 1.00 0.00 N ATOM 503 CA LEU A 33 0.372 11.451 -1.805 1.00 0.00 C ATOM 504 C LEU A 33 -0.500 12.513 -1.146 1.00 0.00 C ATOM 505 O LEU A 33 -0.376 13.702 -1.436 1.00 0.00 O ATOM 506 CB LEU A 33 -0.452 10.673 -2.839 1.00 0.00 C ATOM 507 CG LEU A 33 0.449 9.677 -3.584 1.00 0.00 C ATOM 508 CD1 LEU A 33 -0.403 8.828 -4.532 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.515 10.425 -4.397 1.00 0.00 C ATOM 0 H LEU A 33 0.593 9.573 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 33 1.207 11.937 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.265 10.141 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.908 11.364 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 33 0.943 9.037 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.236 8.121 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.151 8.282 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.901 9.476 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.146 9.705 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.028 11.076 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.129 11.026 -3.726 1.00 0.00 H new ATOM 521 N ILE A 34 -1.380 12.072 -0.259 1.00 0.00 N ATOM 522 CA ILE A 34 -2.276 12.992 0.443 1.00 0.00 C ATOM 523 C ILE A 34 -1.492 14.013 1.267 1.00 0.00 C ATOM 524 O ILE A 34 -1.795 15.206 1.238 1.00 0.00 O ATOM 525 CB ILE A 34 -3.215 12.221 1.374 1.00 0.00 C ATOM 526 CG1 ILE A 34 -4.307 11.537 0.549 1.00 0.00 C ATOM 527 CG2 ILE A 34 -3.863 13.191 2.363 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.990 10.463 1.399 1.00 0.00 C ATOM 0 H ILE A 34 -1.496 11.091 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.856 13.519 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.645 11.469 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.039 12.272 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.875 11.088 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.532 12.642 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.088 13.680 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.432 13.943 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.768 9.975 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.253 9.723 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.436 10.925 2.280 1.00 0.00 H new ATOM 540 N VAL A 35 -0.495 13.543 2.013 1.00 0.00 N ATOM 541 CA VAL A 35 0.302 14.440 2.847 1.00 0.00 C ATOM 542 C VAL A 35 0.929 15.550 2.007 1.00 0.00 C ATOM 543 O VAL A 35 0.787 16.731 2.323 1.00 0.00 O ATOM 544 CB VAL A 35 1.407 13.656 3.559 1.00 0.00 C ATOM 545 CG1 VAL A 35 2.316 14.628 4.313 1.00 0.00 C ATOM 546 CG2 VAL A 35 0.779 12.674 4.551 1.00 0.00 C ATOM 0 H VAL A 35 -0.222 12.561 2.058 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.360 14.890 3.587 1.00 0.00 H new ATOM 0 HB VAL A 35 1.993 13.105 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.103 14.071 4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.764 15.329 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.729 15.179 5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.566 12.116 5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.193 13.225 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.130 11.981 4.016 1.00 0.00 H new ATOM 556 N LEU A 36 1.618 15.165 0.939 1.00 0.00 N ATOM 557 CA LEU A 36 2.259 16.139 0.061 1.00 0.00 C ATOM 558 C LEU A 36 1.212 16.991 -0.651 1.00 0.00 C ATOM 559 O LEU A 36 1.428 18.178 -0.902 1.00 0.00 O ATOM 560 CB LEU A 36 3.121 15.419 -0.978 1.00 0.00 C ATOM 561 CG LEU A 36 4.535 15.221 -0.428 1.00 0.00 C ATOM 562 CD1 LEU A 36 4.469 14.469 0.902 1.00 0.00 C ATOM 563 CD2 LEU A 36 5.359 14.412 -1.431 1.00 0.00 C ATOM 0 H LEU A 36 1.747 14.192 0.661 1.00 0.00 H new ATOM 0 HA LEU A 36 2.888 16.788 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.679 14.454 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.157 15.999 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 36 5.002 16.193 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.477 14.329 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.881 15.044 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.002 13.496 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.367 14.269 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.890 13.441 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.408 14.949 -2.378 1.00 0.00 H new ATOM 575 N SER A 37 0.079 16.378 -0.980 1.00 0.00 N ATOM 576 CA SER A 37 -0.995 17.088 -1.668 1.00 0.00 C ATOM 577 C SER A 37 -1.507 18.249 -0.822 1.00 0.00 C ATOM 578 O SER A 37 -1.870 19.299 -1.351 1.00 0.00 O ATOM 579 CB SER A 37 -2.149 16.133 -1.971 1.00 0.00 C ATOM 580 OG SER A 37 -1.690 15.095 -2.826 1.00 0.00 O ATOM 0 H SER A 37 -0.119 15.397 -0.783 1.00 0.00 H new ATOM 0 HA SER A 37 -0.594 17.483 -2.602 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.539 15.711 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.968 16.674 -2.445 1.00 0.00 H new ATOM 0 HG SER A 37 -0.866 14.710 -2.460 1.00 0.00 H new ATOM 586 N ARG A 38 -1.539 18.055 0.493 1.00 0.00 N ATOM 587 CA ARG A 38 -2.016 19.096 1.394 1.00 0.00 C ATOM 588 C ARG A 38 -1.201 20.372 1.213 1.00 0.00 C ATOM 589 O ARG A 38 -1.751 21.472 1.192 1.00 0.00 O ATOM 590 CB ARG A 38 -1.907 18.624 2.846 1.00 0.00 C ATOM 591 CG ARG A 38 -2.833 17.426 3.069 1.00 0.00 C ATOM 592 CD ARG A 38 -3.881 17.780 4.126 1.00 0.00 C ATOM 593 NE ARG A 38 -4.717 16.621 4.416 1.00 0.00 N ATOM 594 CZ ARG A 38 -5.705 16.267 3.601 1.00 0.00 C ATOM 595 NH1 ARG A 38 -5.944 16.963 2.523 1.00 0.00 N ATOM 596 NH2 ARG A 38 -6.439 15.224 3.879 1.00 0.00 N ATOM 0 H ARG A 38 -1.243 17.195 0.954 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.059 19.304 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.877 18.347 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.175 19.435 3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.322 17.152 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.254 16.561 3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.388 18.119 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.500 18.605 3.773 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.541 16.073 5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.372 17.779 2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.703 16.691 1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.254 14.680 4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.197 14.953 3.253 1.00 0.00 H new ATOM 610 N ARG A 39 0.110 20.214 1.074 1.00 0.00 N ATOM 611 CA ARG A 39 0.988 21.361 0.886 1.00 0.00 C ATOM 612 C ARG A 39 0.553 22.157 -0.339 1.00 0.00 C ATOM 613 O ARG A 39 0.763 23.367 -0.416 1.00 0.00 O ATOM 614 CB ARG A 39 2.433 20.892 0.705 1.00 0.00 C ATOM 615 CG ARG A 39 3.389 22.055 0.979 1.00 0.00 C ATOM 616 CD ARG A 39 4.827 21.611 0.702 1.00 0.00 C ATOM 617 NE ARG A 39 5.764 22.645 1.127 1.00 0.00 N ATOM 618 CZ ARG A 39 5.967 22.901 2.414 1.00 0.00 C ATOM 619 NH1 ARG A 39 5.327 22.215 3.323 1.00 0.00 N ATOM 620 NH2 ARG A 39 6.806 23.834 2.771 1.00 0.00 N ATOM 0 H ARG A 39 0.585 19.311 1.088 1.00 0.00 H new ATOM 0 HA ARG A 39 0.925 21.997 1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.645 20.066 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.580 20.518 -0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.132 22.907 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.292 22.383 2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.036 20.681 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.955 21.409 -0.362 1.00 0.00 H new ATOM 0 HE ARG A 39 6.272 23.181 0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.673 21.484 3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.482 22.410 4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.307 24.368 2.061 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.961 24.029 3.760 1.00 0.00 H new ATOM 634 N CYS A 40 -0.055 21.463 -1.298 1.00 0.00 N ATOM 635 CA CYS A 40 -0.516 22.107 -2.521 1.00 0.00 C ATOM 636 C CYS A 40 -1.555 23.182 -2.212 1.00 0.00 C ATOM 637 O CYS A 40 -1.482 24.292 -2.736 1.00 0.00 O ATOM 638 CB CYS A 40 -1.128 21.063 -3.460 1.00 0.00 C ATOM 639 SG CYS A 40 -0.858 21.568 -5.177 1.00 0.00 S ATOM 0 H CYS A 40 -0.238 20.461 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 40 0.341 22.578 -3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.676 20.087 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.195 20.961 -3.263 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.855 22.302 -5.575 1.00 0.00 H new ATOM 645 N ARG A 41 -2.520 22.846 -1.359 1.00 0.00 N ATOM 646 CA ARG A 41 -3.569 23.796 -0.994 1.00 0.00 C ATOM 647 C ARG A 41 -2.967 25.091 -0.462 1.00 0.00 C ATOM 648 O ARG A 41 -3.453 26.181 -0.760 1.00 0.00 O ATOM 649 CB ARG A 41 -4.485 23.189 0.073 1.00 0.00 C ATOM 650 CG ARG A 41 -5.413 22.154 -0.567 1.00 0.00 C ATOM 651 CD ARG A 41 -6.353 21.583 0.497 1.00 0.00 C ATOM 652 NE ARG A 41 -7.010 22.662 1.225 1.00 0.00 N ATOM 653 CZ ARG A 41 -7.651 22.425 2.363 1.00 0.00 C ATOM 654 NH1 ARG A 41 -7.698 21.213 2.845 1.00 0.00 N ATOM 655 NH2 ARG A 41 -8.232 23.403 2.999 1.00 0.00 N ATOM 0 H ARG A 41 -2.598 21.933 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.149 24.017 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.887 22.720 0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.074 23.973 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.991 22.614 -1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.826 21.353 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.101 20.945 0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.791 20.957 1.190 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.977 23.612 0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.242 20.448 2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.190 21.031 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.194 24.350 2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.725 23.221 3.873 1.00 0.00 H new ATOM 669 N CYS A 42 -1.909 24.961 0.331 1.00 0.00 N ATOM 670 CA CYS A 42 -1.250 26.125 0.907 1.00 0.00 C ATOM 671 C CYS A 42 -0.389 26.836 -0.137 1.00 0.00 C ATOM 672 O CYS A 42 -0.325 28.065 -0.171 1.00 0.00 O ATOM 673 CB CYS A 42 -0.379 25.691 2.089 1.00 0.00 C ATOM 674 SG CYS A 42 -0.898 24.047 2.653 1.00 0.00 S ATOM 0 H CYS A 42 -1.492 24.066 0.588 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.015 26.820 1.252 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.670 25.671 1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.467 26.411 2.903 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.157 23.678 3.655 1.00 0.00 H new ATOM 680 N LYS A 43 0.278 26.054 -0.980 1.00 0.00 N ATOM 681 CA LYS A 43 1.143 26.614 -2.017 1.00 0.00 C ATOM 682 C LYS A 43 0.340 27.238 -3.156 1.00 0.00 C ATOM 683 O LYS A 43 0.821 28.144 -3.836 1.00 0.00 O ATOM 684 CB LYS A 43 2.045 25.518 -2.590 1.00 0.00 C ATOM 685 CG LYS A 43 3.081 25.096 -1.545 1.00 0.00 C ATOM 686 CD LYS A 43 4.339 25.960 -1.684 1.00 0.00 C ATOM 687 CE LYS A 43 5.367 25.536 -0.633 1.00 0.00 C ATOM 688 NZ LYS A 43 6.609 26.346 -0.794 1.00 0.00 N ATOM 0 H LYS A 43 0.238 25.035 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 43 1.742 27.397 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.444 24.658 -2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.547 25.880 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.665 25.202 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.335 24.044 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.759 25.851 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.086 27.013 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.958 25.674 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.596 24.476 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.307 26.057 -0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.003 26.193 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.384 27.354 -0.671 1.00 0.00 H new ATOM 702 N PHE A 44 -0.871 26.738 -3.383 1.00 0.00 N ATOM 703 CA PHE A 44 -1.697 27.253 -4.473 1.00 0.00 C ATOM 704 C PHE A 44 -2.092 28.708 -4.246 1.00 0.00 C ATOM 705 O PHE A 44 -1.960 29.535 -5.147 1.00 0.00 O ATOM 706 CB PHE A 44 -2.958 26.403 -4.618 1.00 0.00 C ATOM 707 CG PHE A 44 -2.877 25.632 -5.911 1.00 0.00 C ATOM 708 CD1 PHE A 44 -2.947 26.314 -7.130 1.00 0.00 C ATOM 709 CD2 PHE A 44 -2.723 24.241 -5.894 1.00 0.00 C ATOM 710 CE1 PHE A 44 -2.862 25.608 -8.333 1.00 0.00 C ATOM 711 CE2 PHE A 44 -2.641 23.534 -7.101 1.00 0.00 C ATOM 712 CZ PHE A 44 -2.710 24.219 -8.319 1.00 0.00 C ATOM 0 H PHE A 44 -1.298 25.989 -2.838 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.104 27.201 -5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.051 25.718 -3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.844 27.038 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.067 27.387 -7.142 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.668 23.714 -4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.914 26.136 -9.274 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.525 22.460 -7.091 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.646 23.674 -9.249 1.00 0.00 H new ATOM 722 N ASN A 45 -2.574 29.013 -3.045 1.00 0.00 N ATOM 723 CA ASN A 45 -2.986 30.374 -2.715 1.00 0.00 C ATOM 724 C ASN A 45 -2.360 30.821 -1.398 1.00 0.00 C ATOM 725 O ASN A 45 -2.744 30.349 -0.328 1.00 0.00 O ATOM 726 CB ASN A 45 -4.510 30.443 -2.605 1.00 0.00 C ATOM 727 CG ASN A 45 -5.146 30.156 -3.962 1.00 0.00 C ATOM 728 OD1 ASN A 45 -4.544 30.427 -5.002 1.00 0.00 O ATOM 729 ND2 ASN A 45 -6.335 29.622 -4.014 1.00 0.00 N ATOM 0 H ASN A 45 -2.689 28.340 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.646 31.039 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.863 29.720 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.813 31.429 -2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.768 29.428 -4.917 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.832 29.398 -3.152 1.00 0.00 H new ATOM 736 N GLN A 46 -1.399 31.735 -1.484 1.00 0.00 N ATOM 737 CA GLN A 46 -0.732 32.241 -0.290 1.00 0.00 C ATOM 738 C GLN A 46 -1.726 32.985 0.592 1.00 0.00 C ATOM 739 O GLN A 46 -1.637 32.944 1.820 1.00 0.00 O ATOM 740 CB GLN A 46 0.407 33.183 -0.685 1.00 0.00 C ATOM 741 CG GLN A 46 1.446 32.414 -1.502 1.00 0.00 C ATOM 742 CD GLN A 46 2.560 33.354 -1.953 1.00 0.00 C ATOM 743 OE1 GLN A 46 2.539 34.542 -1.632 1.00 0.00 O ATOM 744 NE2 GLN A 46 3.536 32.890 -2.685 1.00 0.00 N ATOM 0 H GLN A 46 -1.067 32.138 -2.360 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.324 31.396 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.017 34.018 -1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.870 33.605 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.863 31.604 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.971 31.957 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.551 31.905 -2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.283 33.512 -2.992 1.00 0.00 H new ATOM 753 N GLN A 47 -2.675 33.663 -0.044 1.00 0.00 N ATOM 754 CA GLN A 47 -3.690 34.416 0.683 1.00 0.00 C ATOM 755 C GLN A 47 -4.444 33.504 1.644 1.00 0.00 C ATOM 756 O GLN A 47 -5.032 33.967 2.622 1.00 0.00 O ATOM 757 CB GLN A 47 -4.676 35.045 -0.302 1.00 0.00 C ATOM 758 CG GLN A 47 -3.946 36.065 -1.178 1.00 0.00 C ATOM 759 CD GLN A 47 -4.909 36.647 -2.208 1.00 0.00 C ATOM 760 OE1 GLN A 47 -5.622 35.903 -2.882 1.00 0.00 O ATOM 761 NE2 GLN A 47 -4.974 37.941 -2.369 1.00 0.00 N ATOM 0 H GLN A 47 -2.763 33.707 -1.059 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.195 35.201 1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.127 34.272 -0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.487 35.531 0.240 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.537 36.863 -0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.105 35.589 -1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.382 38.555 -1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.617 38.338 -3.054 1.00 0.00 H new ATOM 770 N GLN A 48 -4.427 32.206 1.356 1.00 0.00 N ATOM 771 CA GLN A 48 -5.118 31.239 2.199 1.00 0.00 C ATOM 772 C GLN A 48 -4.637 31.347 3.643 1.00 0.00 C ATOM 773 O GLN A 48 -5.427 31.218 4.578 1.00 0.00 O ATOM 774 CB GLN A 48 -4.869 29.819 1.681 1.00 0.00 C ATOM 775 CG GLN A 48 -5.828 28.844 2.369 1.00 0.00 C ATOM 776 CD GLN A 48 -7.242 29.038 1.833 1.00 0.00 C ATOM 777 OE1 GLN A 48 -7.444 29.101 0.621 1.00 0.00 O ATOM 778 NE2 GLN A 48 -8.239 29.135 2.670 1.00 0.00 N ATOM 0 H GLN A 48 -3.946 31.803 0.552 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.186 31.455 2.166 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.013 29.785 0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.837 29.527 1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.502 27.818 2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.813 29.006 3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.069 29.082 3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.188 29.263 2.320 1.00 0.00 H new ATOM 787 N ARG A 49 -3.336 31.583 3.812 1.00 0.00 N ATOM 788 CA ARG A 49 -2.748 31.708 5.145 1.00 0.00 C ATOM 789 C ARG A 49 -2.276 33.137 5.390 1.00 0.00 C ATOM 790 O ARG A 49 -1.083 33.429 5.318 1.00 0.00 O ATOM 791 CB ARG A 49 -1.566 30.747 5.284 1.00 0.00 C ATOM 792 CG ARG A 49 -1.091 30.733 6.738 1.00 0.00 C ATOM 793 CD ARG A 49 0.095 29.779 6.881 1.00 0.00 C ATOM 794 NE ARG A 49 0.481 29.665 8.283 1.00 0.00 N ATOM 795 CZ ARG A 49 1.270 30.569 8.855 1.00 0.00 C ATOM 796 NH1 ARG A 49 1.722 31.575 8.158 1.00 0.00 N ATOM 797 NH2 ARG A 49 1.592 30.451 10.114 1.00 0.00 N ATOM 0 H ARG A 49 -2.672 31.691 3.046 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.509 31.458 5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.861 29.744 4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.753 31.056 4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.802 31.738 7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.904 30.420 7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.169 28.797 6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.937 30.143 6.292 1.00 0.00 H new ATOM 0 HE ARG A 49 0.139 28.878 8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.470 31.668 7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.327 32.269 8.597 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.238 29.665 10.659 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.197 31.145 10.553 1.00 0.00 H new ATOM 811 N THR A 50 -3.221 34.026 5.683 1.00 0.00 N ATOM 812 CA THR A 50 -2.888 35.423 5.941 1.00 0.00 C ATOM 813 C THR A 50 -3.711 35.964 7.105 1.00 0.00 C ATOM 814 O THR A 50 -3.702 37.165 7.376 1.00 0.00 O ATOM 815 CB THR A 50 -3.152 36.267 4.692 1.00 0.00 C ATOM 816 OG1 THR A 50 -4.282 35.752 4.001 1.00 0.00 O ATOM 817 CG2 THR A 50 -1.928 36.224 3.775 1.00 0.00 C ATOM 0 H THR A 50 -4.215 33.806 5.747 1.00 0.00 H new ATOM 0 HA THR A 50 -1.831 35.480 6.199 1.00 0.00 H new ATOM 0 HB THR A 50 -3.346 37.298 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.024 34.945 3.508 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.118 36.826 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.062 36.622 4.305 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.730 35.193 3.480 1.00 0.00 H new ATOM 825 N GLY A 51 -4.418 35.073 7.790 1.00 0.00 N ATOM 826 CA GLY A 51 -5.241 35.476 8.923 1.00 0.00 C ATOM 827 C GLY A 51 -6.637 35.884 8.467 1.00 0.00 C ATOM 828 O GLY A 51 -7.332 36.629 9.159 1.00 0.00 O ATOM 0 H GLY A 51 -4.438 34.074 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.313 34.654 9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.767 36.308 9.444 1.00 0.00 H new ATOM 832 N GLU A 52 -7.042 35.391 7.299 1.00 0.00 N ATOM 833 CA GLU A 52 -8.359 35.709 6.759 1.00 0.00 C ATOM 834 C GLU A 52 -9.287 34.482 6.852 1.00 0.00 C ATOM 835 O GLU A 52 -9.180 33.577 6.026 1.00 0.00 O ATOM 836 CB GLU A 52 -8.217 36.110 5.289 1.00 0.00 C ATOM 837 CG GLU A 52 -9.518 36.763 4.811 1.00 0.00 C ATOM 838 CD GLU A 52 -9.652 38.159 5.412 1.00 0.00 C ATOM 839 OE1 GLU A 52 -8.656 38.861 5.457 1.00 0.00 O ATOM 840 OE2 GLU A 52 -10.749 38.503 5.820 1.00 0.00 O ATOM 0 H GLU A 52 -6.480 34.774 6.712 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.788 36.528 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.384 36.803 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.993 35.233 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.525 36.824 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.371 36.149 5.102 1.00 0.00 H new ATOM 847 N PRO A 53 -10.195 34.415 7.814 1.00 0.00 N ATOM 848 CA PRO A 53 -11.120 33.247 7.936 1.00 0.00 C ATOM 849 C PRO A 53 -11.914 33.005 6.654 1.00 0.00 C ATOM 850 O PRO A 53 -12.399 31.900 6.413 1.00 0.00 O ATOM 851 CB PRO A 53 -12.058 33.624 9.089 1.00 0.00 C ATOM 852 CG PRO A 53 -11.343 34.677 9.865 1.00 0.00 C ATOM 853 CD PRO A 53 -10.440 35.407 8.878 1.00 0.00 C ATOM 0 HA PRO A 53 -10.574 32.321 8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.011 33.995 8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.277 32.758 9.714 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.050 35.366 10.326 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.758 34.234 10.671 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.921 36.303 8.485 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.510 35.725 9.349 1.00 0.00 H new ATOM 861 N ASP A 54 -12.043 34.045 5.838 1.00 0.00 N ATOM 862 CA ASP A 54 -12.782 33.933 4.585 1.00 0.00 C ATOM 863 C ASP A 54 -11.935 33.245 3.519 1.00 0.00 C ATOM 864 O ASP A 54 -10.790 33.627 3.280 1.00 0.00 O ATOM 865 CB ASP A 54 -13.192 35.323 4.097 1.00 0.00 C ATOM 866 CG ASP A 54 -14.088 35.200 2.869 1.00 0.00 C ATOM 867 OD1 ASP A 54 -14.409 34.081 2.503 1.00 0.00 O ATOM 868 OD2 ASP A 54 -14.439 36.227 2.311 1.00 0.00 O ATOM 0 H ASP A 54 -11.649 34.968 6.019 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.674 33.332 4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.718 35.855 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.305 35.908 3.854 1.00 0.00 H new ATOM 873 N GLU A 55 -12.506 32.229 2.880 1.00 0.00 N ATOM 874 CA GLU A 55 -11.792 31.498 1.839 1.00 0.00 C ATOM 875 C GLU A 55 -11.962 32.190 0.491 1.00 0.00 C ATOM 876 O GLU A 55 -13.083 32.377 0.018 1.00 0.00 O ATOM 877 CB GLU A 55 -12.320 30.065 1.750 1.00 0.00 C ATOM 878 CG GLU A 55 -13.755 30.013 2.276 1.00 0.00 C ATOM 879 CD GLU A 55 -13.753 30.028 3.801 1.00 0.00 C ATOM 880 OE1 GLU A 55 -13.066 29.202 4.380 1.00 0.00 O ATOM 881 OE2 GLU A 55 -14.436 30.864 4.367 1.00 0.00 O ATOM 0 H GLU A 55 -13.452 31.895 3.062 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.733 31.478 2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.288 29.718 0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.685 29.396 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.321 30.864 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.251 29.113 1.914 1.00 0.00 H new ATOM 888 N GLU A 56 -10.839 32.568 -0.119 1.00 0.00 N ATOM 889 CA GLU A 56 -10.861 33.244 -1.413 1.00 0.00 C ATOM 890 C GLU A 56 -10.261 32.350 -2.496 1.00 0.00 C ATOM 891 O GLU A 56 -9.874 31.212 -2.231 1.00 0.00 O ATOM 892 CB GLU A 56 -10.068 34.550 -1.329 1.00 0.00 C ATOM 893 CG GLU A 56 -10.713 35.472 -0.292 1.00 0.00 C ATOM 894 CD GLU A 56 -9.981 36.809 -0.257 1.00 0.00 C ATOM 895 OE1 GLU A 56 -8.936 36.907 -0.879 1.00 0.00 O ATOM 896 OE2 GLU A 56 -10.477 37.717 0.392 1.00 0.00 O ATOM 0 H GLU A 56 -9.905 32.417 0.262 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.897 33.462 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.034 34.343 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.047 35.039 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.764 35.629 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.681 35.005 0.692 1.00 0.00 H new ATOM 903 N GLU A 57 -10.189 32.876 -3.714 1.00 0.00 N ATOM 904 CA GLU A 57 -9.637 32.120 -4.833 1.00 0.00 C ATOM 905 C GLU A 57 -10.259 30.728 -4.905 1.00 0.00 C ATOM 906 O GLU A 57 -11.462 30.587 -5.121 1.00 0.00 O ATOM 907 CB GLU A 57 -8.120 31.990 -4.679 1.00 0.00 C ATOM 908 CG GLU A 57 -7.484 33.383 -4.644 1.00 0.00 C ATOM 909 CD GLU A 57 -7.583 33.972 -3.240 1.00 0.00 C ATOM 910 OE1 GLU A 57 -7.373 33.233 -2.291 1.00 0.00 O ATOM 911 OE2 GLU A 57 -7.867 35.153 -3.134 1.00 0.00 O ATOM 0 H GLU A 57 -10.504 33.817 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.867 32.657 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.883 31.448 -3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.709 31.412 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.439 33.321 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.985 34.038 -5.357 1.00 0.00 H new ATOM 918 N GLY A 58 -9.431 29.704 -4.721 1.00 0.00 N ATOM 919 CA GLY A 58 -9.909 28.327 -4.765 1.00 0.00 C ATOM 920 C GLY A 58 -8.913 27.428 -5.491 1.00 0.00 C ATOM 921 O GLY A 58 -8.561 27.678 -6.644 1.00 0.00 O ATOM 0 H GLY A 58 -8.432 29.801 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.065 27.959 -3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.874 28.289 -5.270 1.00 0.00 H new ATOM 925 N THR A 59 -8.463 26.379 -4.808 1.00 0.00 N ATOM 926 CA THR A 59 -7.507 25.447 -5.398 1.00 0.00 C ATOM 927 C THR A 59 -8.235 24.327 -6.135 1.00 0.00 C ATOM 928 O THR A 59 -9.465 24.263 -6.121 1.00 0.00 O ATOM 929 CB THR A 59 -6.615 24.852 -4.305 1.00 0.00 C ATOM 930 OG1 THR A 59 -7.308 23.798 -3.651 1.00 0.00 O ATOM 931 CG2 THR A 59 -6.263 25.941 -3.290 1.00 0.00 C ATOM 0 H THR A 59 -8.742 26.154 -3.853 1.00 0.00 H new ATOM 0 HA THR A 59 -6.889 25.991 -6.112 1.00 0.00 H new ATOM 0 HB THR A 59 -5.700 24.462 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.897 24.171 -2.962 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.628 25.520 -2.510 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.733 26.750 -3.793 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.177 26.330 -2.842 1.00 0.00 H new ATOM 939 N PHE A 60 -7.475 23.439 -6.768 1.00 0.00 N ATOM 940 CA PHE A 60 -8.080 22.323 -7.491 1.00 0.00 C ATOM 941 C PHE A 60 -8.688 21.350 -6.496 1.00 0.00 C ATOM 942 O PHE A 60 -9.815 20.885 -6.663 1.00 0.00 O ATOM 943 CB PHE A 60 -7.033 21.607 -8.346 1.00 0.00 C ATOM 944 CG PHE A 60 -6.874 22.339 -9.658 1.00 0.00 C ATOM 945 CD1 PHE A 60 -7.895 22.289 -10.615 1.00 0.00 C ATOM 946 CD2 PHE A 60 -5.709 23.072 -9.915 1.00 0.00 C ATOM 947 CE1 PHE A 60 -7.750 22.970 -11.830 1.00 0.00 C ATOM 948 CE2 PHE A 60 -5.565 23.754 -11.128 1.00 0.00 C ATOM 949 CZ PHE A 60 -6.584 23.703 -12.086 1.00 0.00 C ATOM 0 H PHE A 60 -6.456 23.467 -6.796 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.858 22.707 -8.150 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.080 21.571 -7.819 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.337 20.576 -8.526 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.794 21.725 -10.416 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.922 23.111 -9.177 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.536 22.930 -12.569 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.667 24.320 -11.325 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.471 24.229 -13.023 1.00 0.00 H new ATOM 959 N ARG A 61 -7.928 21.072 -5.447 1.00 0.00 N ATOM 960 CA ARG A 61 -8.376 20.179 -4.392 1.00 0.00 C ATOM 961 C ARG A 61 -9.571 20.798 -3.678 1.00 0.00 C ATOM 962 O ARG A 61 -10.466 20.098 -3.208 1.00 0.00 O ATOM 963 CB ARG A 61 -7.228 19.942 -3.401 1.00 0.00 C ATOM 964 CG ARG A 61 -7.555 18.762 -2.476 1.00 0.00 C ATOM 965 CD ARG A 61 -6.300 18.371 -1.689 1.00 0.00 C ATOM 966 NE ARG A 61 -6.560 17.190 -0.875 1.00 0.00 N ATOM 967 CZ ARG A 61 -6.633 15.981 -1.422 1.00 0.00 C ATOM 968 NH1 ARG A 61 -6.464 15.835 -2.708 1.00 0.00 N ATOM 969 NH2 ARG A 61 -6.871 14.939 -0.674 1.00 0.00 N ATOM 0 H ARG A 61 -6.993 21.455 -5.305 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.676 19.223 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.305 19.741 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.059 20.841 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.358 19.034 -1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.910 17.914 -3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.478 18.173 -2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.990 19.199 -1.052 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.688 17.293 0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.276 16.649 -3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.520 14.907 -3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.001 15.052 0.331 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.927 14.011 -1.095 1.00 0.00 H new ATOM 983 N SER A 62 -9.567 22.124 -3.603 1.00 0.00 N ATOM 984 CA SER A 62 -10.641 22.855 -2.945 1.00 0.00 C ATOM 985 C SER A 62 -11.977 22.616 -3.643 1.00 0.00 C ATOM 986 O SER A 62 -13.018 22.608 -2.999 1.00 0.00 O ATOM 987 CB SER A 62 -10.329 24.353 -2.940 1.00 0.00 C ATOM 988 OG SER A 62 -9.085 24.574 -2.289 1.00 0.00 O ATOM 0 H SER A 62 -8.831 22.714 -3.990 1.00 0.00 H new ATOM 0 HA SER A 62 -10.716 22.492 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.290 24.731 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.122 24.899 -2.429 1.00 0.00 H new ATOM 0 HG SER A 62 -9.028 25.509 -2.001 1.00 0.00 H new ATOM 994 N SER A 63 -11.946 22.437 -4.962 1.00 0.00 N ATOM 995 CA SER A 63 -13.178 22.215 -5.719 1.00 0.00 C ATOM 996 C SER A 63 -13.845 20.908 -5.297 1.00 0.00 C ATOM 997 O SER A 63 -15.063 20.758 -5.386 1.00 0.00 O ATOM 998 CB SER A 63 -12.868 22.173 -7.216 1.00 0.00 C ATOM 999 OG SER A 63 -12.149 20.984 -7.514 1.00 0.00 O ATOM 0 H SER A 63 -11.094 22.441 -5.523 1.00 0.00 H new ATOM 0 HA SER A 63 -13.862 23.038 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.793 22.206 -7.792 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.283 23.047 -7.502 1.00 0.00 H new ATOM 0 HG SER A 63 -11.192 21.187 -7.575 1.00 0.00 H new ATOM 1005 N ILE A 64 -13.032 19.969 -4.837 1.00 0.00 N ATOM 1006 CA ILE A 64 -13.528 18.669 -4.394 1.00 0.00 C ATOM 1007 C ILE A 64 -14.466 18.828 -3.197 1.00 0.00 C ATOM 1008 O ILE A 64 -15.409 18.054 -3.034 1.00 0.00 O ATOM 1009 CB ILE A 64 -12.359 17.756 -4.000 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -11.380 17.602 -5.179 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -12.903 16.383 -3.594 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -11.811 16.442 -6.080 1.00 0.00 C ATOM 0 H ILE A 64 -12.021 20.081 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.077 18.220 -5.222 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.825 18.201 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.347 18.526 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -10.372 17.424 -4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -12.075 15.732 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.579 16.496 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -13.443 15.943 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -11.110 16.345 -6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -11.821 15.517 -5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.810 16.636 -6.471 1.00 0.00 H new ATOM 1024 N ARG A 65 -14.203 19.829 -2.360 1.00 0.00 N ATOM 1025 CA ARG A 65 -15.036 20.059 -1.183 1.00 0.00 C ATOM 1026 C ARG A 65 -16.492 20.265 -1.595 1.00 0.00 C ATOM 1027 O ARG A 65 -17.411 19.959 -0.836 1.00 0.00 O ATOM 1028 CB ARG A 65 -14.516 21.259 -0.365 1.00 0.00 C ATOM 1029 CG ARG A 65 -14.908 22.596 -1.010 1.00 0.00 C ATOM 1030 CD ARG A 65 -16.116 23.183 -0.279 1.00 0.00 C ATOM 1031 NE ARG A 65 -16.645 24.328 -1.013 1.00 0.00 N ATOM 1032 CZ ARG A 65 -16.080 25.528 -0.919 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -15.017 25.695 -0.180 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -16.587 26.539 -1.571 1.00 0.00 N ATOM 0 H ARG A 65 -13.431 20.486 -2.472 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.982 19.176 -0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.918 21.211 0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.431 21.200 -0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.070 23.292 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.145 22.448 -2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.889 22.422 -0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -15.828 23.489 0.727 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.463 24.205 -1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.619 24.904 0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.585 26.616 -0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -17.415 26.408 -2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.155 27.460 -1.500 1.00 0.00 H new ATOM 1048 N ARG A 66 -16.693 20.783 -2.802 1.00 0.00 N ATOM 1049 CA ARG A 66 -18.035 21.020 -3.306 1.00 0.00 C ATOM 1050 C ARG A 66 -18.853 19.736 -3.241 1.00 0.00 C ATOM 1051 O ARG A 66 -20.049 19.771 -3.002 1.00 0.00 O ATOM 1052 CB ARG A 66 -17.970 21.516 -4.752 1.00 0.00 C ATOM 1053 CG ARG A 66 -17.174 22.819 -4.811 1.00 0.00 C ATOM 1054 CD ARG A 66 -17.151 23.344 -6.248 1.00 0.00 C ATOM 1055 NE ARG A 66 -18.065 24.473 -6.389 1.00 0.00 N ATOM 1056 CZ ARG A 66 -19.347 24.298 -6.705 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -19.823 23.096 -6.894 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -20.134 25.333 -6.823 1.00 0.00 N ATOM 0 H ARG A 66 -15.945 21.045 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 66 -18.513 21.779 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.501 20.763 -5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.977 21.675 -5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.622 23.561 -4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.156 22.651 -4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.139 23.651 -6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.435 22.549 -6.938 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.713 25.419 -6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.212 22.285 -6.800 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -20.806 22.969 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.767 26.273 -6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.116 25.202 -7.065 1.00 0.00 H new ATOM 1072 N LEU A 67 -18.198 18.606 -3.463 1.00 0.00 N ATOM 1073 CA LEU A 67 -18.884 17.318 -3.427 1.00 0.00 C ATOM 1074 C LEU A 67 -19.529 17.064 -2.061 1.00 0.00 C ATOM 1075 O LEU A 67 -20.461 16.268 -1.947 1.00 0.00 O ATOM 1076 CB LEU A 67 -17.892 16.194 -3.737 1.00 0.00 C ATOM 1077 CG LEU A 67 -17.162 16.498 -5.050 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -16.155 15.385 -5.349 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -18.172 16.583 -6.199 1.00 0.00 C ATOM 0 H LEU A 67 -17.200 18.552 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.673 17.338 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.173 16.096 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.418 15.242 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.640 17.450 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.638 15.604 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.429 15.323 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.680 14.434 -5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.647 16.799 -7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -18.698 15.633 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.890 17.377 -5.994 1.00 0.00 H new ATOM 1091 N SER A 68 -19.022 17.731 -1.026 1.00 0.00 N ATOM 1092 CA SER A 68 -19.556 17.551 0.327 1.00 0.00 C ATOM 1093 C SER A 68 -20.993 18.062 0.438 1.00 0.00 C ATOM 1094 O SER A 68 -21.867 17.364 0.955 1.00 0.00 O ATOM 1095 CB SER A 68 -18.677 18.288 1.336 1.00 0.00 C ATOM 1096 OG SER A 68 -19.087 17.947 2.655 1.00 0.00 O ATOM 0 H SER A 68 -18.250 18.395 -1.094 1.00 0.00 H new ATOM 0 HA SER A 68 -19.556 16.483 0.543 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.631 18.021 1.188 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.755 19.365 1.186 1.00 0.00 H new ATOM 0 HG SER A 68 -18.524 18.417 3.305 1.00 0.00 H new ATOM 1102 N THR A 69 -21.233 19.276 -0.053 1.00 0.00 N ATOM 1103 CA THR A 69 -22.573 19.864 -0.008 1.00 0.00 C ATOM 1104 C THR A 69 -23.192 19.824 -1.396 1.00 0.00 C ATOM 1105 O THR A 69 -24.387 19.575 -1.559 1.00 0.00 O ATOM 1106 CB THR A 69 -22.498 21.313 0.482 1.00 0.00 C ATOM 1107 OG1 THR A 69 -23.813 21.803 0.705 1.00 0.00 O ATOM 1108 CG2 THR A 69 -21.801 22.175 -0.571 1.00 0.00 C ATOM 0 H THR A 69 -20.524 19.869 -0.484 1.00 0.00 H new ATOM 0 HA THR A 69 -23.190 19.290 0.683 1.00 0.00 H new ATOM 0 HB THR A 69 -21.932 21.354 1.412 1.00 0.00 H new ATOM 0 HG1 THR A 69 -23.768 22.730 1.020 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.749 23.206 -0.221 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.793 21.798 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 69 -22.364 22.137 -1.503 1.00 0.00 H new ATOM 1116 N ARG A 70 -22.348 20.053 -2.390 1.00 0.00 N ATOM 1117 CA ARG A 70 -22.767 20.030 -3.788 1.00 0.00 C ATOM 1118 C ARG A 70 -23.824 21.088 -4.083 1.00 0.00 C ATOM 1119 O ARG A 70 -24.076 21.980 -3.272 1.00 0.00 O ATOM 1120 CB ARG A 70 -23.316 18.646 -4.146 1.00 0.00 C ATOM 1121 CG ARG A 70 -22.798 18.223 -5.524 1.00 0.00 C ATOM 1122 CD ARG A 70 -23.665 17.086 -6.066 1.00 0.00 C ATOM 1123 NE ARG A 70 -24.813 17.631 -6.780 1.00 0.00 N ATOM 1124 CZ ARG A 70 -25.866 16.874 -7.067 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -25.881 15.619 -6.711 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -26.882 17.384 -7.707 1.00 0.00 N ATOM 0 H ARG A 70 -21.358 20.259 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 70 -21.890 20.252 -4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -23.012 17.918 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -24.406 18.666 -4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -22.821 19.071 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -21.760 17.900 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -23.077 16.456 -6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -24.004 16.453 -5.246 1.00 0.00 H new ATOM 0 HE ARG A 70 -24.808 18.611 -7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -25.085 15.221 -6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -26.689 15.036 -6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -26.868 18.365 -7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -27.690 16.802 -7.927 1.00 0.00 H new ATOM 1140 N ARG A 71 -24.430 20.977 -5.265 1.00 0.00 N ATOM 1141 CA ARG A 71 -25.456 21.918 -5.698 1.00 0.00 C ATOM 1142 C ARG A 71 -26.774 21.193 -5.948 1.00 0.00 C ATOM 1143 O ARG A 71 -26.789 20.001 -6.258 1.00 0.00 O ATOM 1144 CB ARG A 71 -25.002 22.608 -6.986 1.00 0.00 C ATOM 1145 CG ARG A 71 -25.859 23.849 -7.243 1.00 0.00 C ATOM 1146 CD ARG A 71 -25.450 24.476 -8.578 1.00 0.00 C ATOM 1147 NE ARG A 71 -25.809 25.889 -8.607 1.00 0.00 N ATOM 1148 CZ ARG A 71 -27.015 26.288 -8.999 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -27.915 25.410 -9.353 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -27.301 27.560 -9.028 1.00 0.00 N ATOM 0 H ARG A 71 -24.225 20.241 -5.940 1.00 0.00 H new ATOM 0 HA ARG A 71 -25.607 22.660 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -23.952 22.891 -6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -25.084 21.919 -7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -26.915 23.579 -7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -25.729 24.569 -6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -24.376 24.364 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -25.941 23.953 -9.398 1.00 0.00 H new ATOM 0 HE ARG A 71 -25.121 26.585 -8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -27.694 24.415 -9.329 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -28.839 25.720 -9.653 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -26.600 28.247 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -28.226 27.868 -9.328 1.00 0.00 H new ATOM 1164 N ARG A 72 -27.879 21.918 -5.814 1.00 0.00 N ATOM 1165 CA ARG A 72 -29.196 21.330 -6.030 1.00 0.00 C ATOM 1166 C ARG A 72 -29.667 21.586 -7.458 1.00 0.00 C ATOM 1167 O ARG A 72 -29.599 20.667 -8.258 1.00 0.00 O ATOM 1168 CB ARG A 72 -30.201 21.922 -5.040 1.00 0.00 C ATOM 1169 CG ARG A 72 -31.584 21.317 -5.288 1.00 0.00 C ATOM 1170 CD ARG A 72 -32.531 21.727 -4.160 1.00 0.00 C ATOM 1171 NE ARG A 72 -33.911 21.441 -4.534 1.00 0.00 N ATOM 1172 CZ ARG A 72 -34.557 22.207 -5.406 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -33.960 23.239 -5.935 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -35.790 21.930 -5.733 1.00 0.00 N ATOM 1175 OXT ARG A 72 -30.090 22.698 -7.731 1.00 0.00 O ATOM 0 H ARG A 72 -27.890 22.906 -5.559 1.00 0.00 H new ATOM 0 HA ARG A 72 -29.126 20.254 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -29.882 21.719 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -30.242 23.005 -5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -31.975 21.658 -6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -31.513 20.231 -5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -32.275 21.190 -3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.417 22.790 -3.947 1.00 0.00 H new ATOM 0 HE ARG A 72 -34.388 20.640 -4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -32.997 23.458 -5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -34.456 23.827 -6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -36.259 21.124 -5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -36.285 22.519 -6.403 1.00 0.00 H new TER 1189 ARG A 72