USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 687 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 14 HIS : no HD1:sc= -0.0464 K(o=-0.047,f=-2.3) USER MOD Set 1.2: A 87 GLN : amide:sc=-0.000118 K(o=-0.047,f=-0.7) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.629 K(o=-0.63,f=-3.2!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -50:sc= 0.0727 USER MOD Single : A 54 HIS : no HD1:sc= -0.0901 X(o=-0.09,f=-0.019) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -0.522 K(o=-0.52,f=-1.4) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -155:sc= -0.33 (180deg=-0.392) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.21) USER MOD Single : A 85 ASN : amide:sc= 0.647 K(o=0.65,f=-0.78) USER MOD Single : A 89 ASN : amide:sc= -0.0126 K(o=-0.013,f=-0.96) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.874 -8.599 10.984 1.00 0.00 N ATOM 67 CA TYR A 8 -12.867 -8.370 9.975 1.00 0.00 C ATOM 68 C TYR A 8 -11.499 -8.576 10.589 1.00 0.00 C ATOM 69 O TYR A 8 -11.192 -8.097 11.680 1.00 0.00 O ATOM 70 CB TYR A 8 -13.035 -7.023 9.270 1.00 0.00 C ATOM 71 CG TYR A 8 -12.404 -5.853 9.958 1.00 0.00 C ATOM 72 CD1 TYR A 8 -11.042 -5.600 9.750 1.00 0.00 C ATOM 73 CD2 TYR A 8 -13.178 -5.023 10.778 1.00 0.00 C ATOM 74 CE1 TYR A 8 -10.432 -4.475 10.314 1.00 0.00 C ATOM 75 CE2 TYR A 8 -12.582 -3.889 11.357 1.00 0.00 C ATOM 76 CZ TYR A 8 -11.213 -3.608 11.114 1.00 0.00 C ATOM 77 OH TYR A 8 -10.651 -2.481 11.619 1.00 0.00 O ATOM 0 HA TYR A 8 -12.987 -9.099 9.174 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.615 -7.103 8.267 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.100 -6.823 9.155 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.457 -6.280 9.148 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.217 -5.251 10.963 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.385 -4.272 10.142 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.166 -3.233 11.986 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.317 -1.991 12.146 1.00 0.00 H new ATOM 87 N LYS A 9 -10.725 -9.371 9.868 1.00 0.00 N ATOM 88 CA LYS A 9 -9.299 -9.449 10.072 1.00 0.00 C ATOM 89 C LYS A 9 -8.673 -8.532 9.043 1.00 0.00 C ATOM 90 O LYS A 9 -9.208 -8.389 7.935 1.00 0.00 O ATOM 91 CB LYS A 9 -8.834 -10.906 9.976 1.00 0.00 C ATOM 92 CG LYS A 9 -8.967 -11.541 8.585 1.00 0.00 C ATOM 93 CD LYS A 9 -8.397 -12.957 8.519 1.00 0.00 C ATOM 94 CE LYS A 9 -9.052 -13.727 7.367 1.00 0.00 C ATOM 95 NZ LYS A 9 -8.600 -15.129 7.291 1.00 0.00 N ATOM 0 H LYS A 9 -11.074 -9.978 9.126 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.994 -9.122 11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.790 -10.959 10.284 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.407 -11.502 10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.019 -11.565 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.455 -10.914 7.855 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.317 -12.918 8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.574 -13.475 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.135 -13.705 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.827 -13.225 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.073 -15.604 6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.570 -15.154 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.837 -15.619 8.177 1.00 0.00 H new ATOM 109 N GLU A 10 -7.559 -7.925 9.406 1.00 0.00 N ATOM 110 CA GLU A 10 -6.630 -7.370 8.449 1.00 0.00 C ATOM 111 C GLU A 10 -5.728 -8.519 7.994 1.00 0.00 C ATOM 112 O GLU A 10 -5.513 -9.506 8.708 1.00 0.00 O ATOM 113 CB GLU A 10 -5.805 -6.273 9.135 1.00 0.00 C ATOM 114 CG GLU A 10 -6.349 -4.887 8.795 1.00 0.00 C ATOM 115 CD GLU A 10 -5.697 -3.810 9.661 1.00 0.00 C ATOM 116 OE1 GLU A 10 -5.658 -3.981 10.905 1.00 0.00 O ATOM 117 OE2 GLU A 10 -5.133 -2.847 9.115 1.00 0.00 O ATOM 0 H GLU A 10 -7.275 -7.804 10.378 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.140 -6.927 7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.824 -6.420 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.764 -6.346 8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.167 -4.670 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.429 -4.871 8.942 1.00 0.00 H new ATOM 124 N LEU A 11 -5.190 -8.386 6.792 1.00 0.00 N ATOM 125 CA LEU A 11 -4.264 -9.298 6.160 1.00 0.00 C ATOM 126 C LEU A 11 -3.074 -8.450 5.734 1.00 0.00 C ATOM 127 O LEU A 11 -3.198 -7.546 4.906 1.00 0.00 O ATOM 128 CB LEU A 11 -4.841 -9.972 4.907 1.00 0.00 C ATOM 129 CG LEU A 11 -6.213 -10.656 4.899 1.00 0.00 C ATOM 130 CD1 LEU A 11 -6.226 -11.932 5.741 1.00 0.00 C ATOM 131 CD2 LEU A 11 -7.402 -9.767 5.255 1.00 0.00 C ATOM 0 H LEU A 11 -5.406 -7.585 6.198 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.014 -10.095 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.867 -9.211 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.116 -10.723 4.595 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.356 -10.914 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.218 -12.381 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.494 -12.636 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.975 -11.689 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.319 -10.354 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.268 -9.366 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.468 -8.945 4.542 1.00 0.00 H new ATOM 143 N ASP A 12 -1.920 -8.764 6.291 1.00 0.00 N ATOM 144 CA ASP A 12 -0.644 -8.205 5.874 1.00 0.00 C ATOM 145 C ASP A 12 -0.282 -8.875 4.555 1.00 0.00 C ATOM 146 O ASP A 12 -0.319 -10.113 4.467 1.00 0.00 O ATOM 147 CB ASP A 12 0.454 -8.500 6.907 1.00 0.00 C ATOM 148 CG ASP A 12 0.168 -7.938 8.299 1.00 0.00 C ATOM 149 OD1 ASP A 12 -0.568 -8.604 9.065 1.00 0.00 O ATOM 150 OD2 ASP A 12 0.735 -6.878 8.652 1.00 0.00 O ATOM 0 H ASP A 12 -1.839 -9.428 7.061 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.724 -7.122 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.586 -9.579 6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.397 -8.088 6.547 1.00 0.00 H new ATOM 155 N VAL A 13 0.080 -8.083 3.547 1.00 0.00 N ATOM 156 CA VAL A 13 0.527 -8.543 2.247 1.00 0.00 C ATOM 157 C VAL A 13 1.763 -7.715 1.877 1.00 0.00 C ATOM 158 O VAL A 13 1.668 -6.550 1.492 1.00 0.00 O ATOM 159 CB VAL A 13 -0.636 -8.387 1.241 1.00 0.00 C ATOM 160 CG1 VAL A 13 -0.179 -8.831 -0.160 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.895 -9.160 1.677 1.00 0.00 C ATOM 0 H VAL A 13 0.067 -7.066 3.623 1.00 0.00 H new ATOM 0 HA VAL A 13 0.807 -9.596 2.242 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.911 -7.333 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.003 -8.719 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.660 -8.214 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.131 -9.876 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.683 -9.019 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.660 -10.221 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.234 -8.788 2.644 1.00 0.00 H new ATOM 171 N HIS A 14 2.936 -8.341 1.933 1.00 0.00 N ATOM 172 CA HIS A 14 4.199 -7.743 1.531 1.00 0.00 C ATOM 173 C HIS A 14 4.466 -8.155 0.090 1.00 0.00 C ATOM 174 O HIS A 14 4.447 -9.351 -0.209 1.00 0.00 O ATOM 175 CB HIS A 14 5.296 -8.267 2.459 1.00 0.00 C ATOM 176 CG HIS A 14 6.672 -7.672 2.308 1.00 0.00 C ATOM 177 ND1 HIS A 14 7.229 -7.047 1.211 1.00 0.00 N ATOM 178 CD2 HIS A 14 7.652 -7.799 3.249 1.00 0.00 C ATOM 179 CE1 HIS A 14 8.527 -6.845 1.482 1.00 0.00 C ATOM 180 NE2 HIS A 14 8.842 -7.298 2.708 1.00 0.00 N ATOM 0 H HIS A 14 3.033 -9.300 2.267 1.00 0.00 H new ATOM 0 HA HIS A 14 4.173 -6.655 1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 14 4.971 -8.109 3.488 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.376 -9.344 2.312 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.531 -8.214 4.239 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.227 -6.380 0.804 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.760 -7.280 3.153 1.00 0.00 H new ATOM 188 N LEU A 15 4.749 -7.190 -0.787 1.00 0.00 N ATOM 189 CA LEU A 15 5.237 -7.432 -2.141 1.00 0.00 C ATOM 190 C LEU A 15 6.607 -6.776 -2.312 1.00 0.00 C ATOM 191 O LEU A 15 7.008 -5.926 -1.514 1.00 0.00 O ATOM 192 CB LEU A 15 4.250 -6.902 -3.196 1.00 0.00 C ATOM 193 CG LEU A 15 2.857 -7.550 -3.239 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.093 -6.981 -4.438 1.00 0.00 C ATOM 195 CD2 LEU A 15 2.849 -9.070 -3.387 1.00 0.00 C ATOM 0 H LEU A 15 4.642 -6.199 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 15 5.328 -8.508 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.121 -5.832 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.709 -7.020 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 15 2.402 -7.321 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.101 -7.430 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.997 -5.901 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.636 -7.206 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.820 -9.428 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.348 -9.348 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.374 -9.520 -2.544 1.00 0.00 H new ATOM 207 N ARG A 16 7.333 -7.137 -3.370 1.00 0.00 N ATOM 208 CA ARG A 16 8.703 -6.688 -3.635 1.00 0.00 C ATOM 209 C ARG A 16 8.822 -6.103 -5.039 1.00 0.00 C ATOM 210 O ARG A 16 8.134 -6.554 -5.960 1.00 0.00 O ATOM 211 CB ARG A 16 9.654 -7.868 -3.395 1.00 0.00 C ATOM 212 CG ARG A 16 9.452 -9.060 -4.354 1.00 0.00 C ATOM 213 CD ARG A 16 9.607 -10.426 -3.663 1.00 0.00 C ATOM 214 NE ARG A 16 8.425 -10.763 -2.839 1.00 0.00 N ATOM 215 CZ ARG A 16 8.291 -10.683 -1.510 1.00 0.00 C ATOM 216 NH1 ARG A 16 9.308 -10.342 -0.725 1.00 0.00 N ATOM 217 NH2 ARG A 16 7.113 -10.930 -0.959 1.00 0.00 N ATOM 0 H ARG A 16 6.976 -7.768 -4.088 1.00 0.00 H new ATOM 0 HA ARG A 16 8.979 -5.882 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.681 -7.515 -3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.527 -8.217 -2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.459 -8.996 -4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.172 -8.988 -5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.757 -11.199 -4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.497 -10.416 -3.034 1.00 0.00 H new ATOM 0 HE ARG A 16 7.608 -11.099 -3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.219 -10.133 -1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.177 -10.289 0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.317 -11.179 -1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.001 -10.872 0.053 1.00 0.00 H new ATOM 231 N ARG A 17 9.663 -5.084 -5.237 1.00 0.00 N ATOM 232 CA ARG A 17 9.864 -4.470 -6.538 1.00 0.00 C ATOM 233 C ARG A 17 11.131 -5.057 -7.132 1.00 0.00 C ATOM 234 O ARG A 17 12.228 -4.625 -6.766 1.00 0.00 O ATOM 235 CB ARG A 17 9.950 -2.937 -6.446 1.00 0.00 C ATOM 236 CG ARG A 17 9.879 -2.365 -7.864 1.00 0.00 C ATOM 237 CD ARG A 17 10.207 -0.880 -7.953 1.00 0.00 C ATOM 238 NE ARG A 17 9.839 -0.346 -9.275 1.00 0.00 N ATOM 239 CZ ARG A 17 10.244 0.807 -9.818 1.00 0.00 C ATOM 240 NH1 ARG A 17 11.074 1.603 -9.148 1.00 0.00 N ATOM 241 NH2 ARG A 17 9.801 1.160 -11.023 1.00 0.00 N ATOM 0 H ARG A 17 10.222 -4.666 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 17 9.009 -4.683 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.134 -2.547 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.879 -2.637 -5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.569 -2.917 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.877 -2.529 -8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.672 -0.337 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.271 -0.726 -7.776 1.00 0.00 H new ATOM 0 HE ARG A 17 9.207 -0.917 -9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.401 1.334 -8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.383 2.482 -9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.156 0.552 -11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.107 2.038 -11.442 1.00 0.00 H new ATOM 255 N MET A 18 11.006 -6.003 -8.057 1.00 0.00 N ATOM 256 CA MET A 18 12.146 -6.465 -8.820 1.00 0.00 C ATOM 257 C MET A 18 11.658 -6.782 -10.229 1.00 0.00 C ATOM 258 O MET A 18 12.045 -6.116 -11.187 1.00 0.00 O ATOM 259 CB MET A 18 12.774 -7.661 -8.094 1.00 0.00 C ATOM 260 CG MET A 18 14.201 -7.888 -8.562 1.00 0.00 C ATOM 261 SD MET A 18 15.361 -6.707 -7.838 1.00 0.00 S ATOM 262 CE MET A 18 16.879 -7.608 -8.210 1.00 0.00 C ATOM 0 H MET A 18 10.125 -6.461 -8.292 1.00 0.00 H new ATOM 0 HA MET A 18 12.931 -5.713 -8.906 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.763 -7.486 -7.018 1.00 0.00 H new ATOM 0 HB3 MET A 18 12.180 -8.556 -8.277 1.00 0.00 H new ATOM 0 HG2 MET A 18 14.509 -8.901 -8.302 1.00 0.00 H new ATOM 0 HG3 MET A 18 14.240 -7.812 -9.649 1.00 0.00 H new ATOM 0 HE1 MET A 18 17.736 -7.044 -7.842 1.00 0.00 H new ATOM 0 HE2 MET A 18 16.851 -8.584 -7.725 1.00 0.00 H new ATOM 0 HE3 MET A 18 16.968 -7.741 -9.288 1.00 0.00 H new ATOM 272 N GLU A 19 10.766 -7.766 -10.351 1.00 0.00 N ATOM 273 CA GLU A 19 10.189 -8.183 -11.620 1.00 0.00 C ATOM 274 C GLU A 19 9.273 -7.091 -12.178 1.00 0.00 C ATOM 275 O GLU A 19 9.721 -6.280 -12.989 1.00 0.00 O ATOM 276 CB GLU A 19 9.447 -9.506 -11.437 1.00 0.00 C ATOM 277 CG GLU A 19 10.394 -10.657 -11.097 1.00 0.00 C ATOM 278 CD GLU A 19 9.880 -11.968 -11.677 1.00 0.00 C ATOM 279 OE1 GLU A 19 8.719 -12.345 -11.394 1.00 0.00 O ATOM 280 OE2 GLU A 19 10.622 -12.593 -12.471 1.00 0.00 O ATOM 0 H GLU A 19 10.421 -8.302 -9.554 1.00 0.00 H new ATOM 0 HA GLU A 19 10.986 -8.338 -12.347 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.708 -9.399 -10.643 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.902 -9.744 -12.350 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.388 -10.445 -11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.492 -10.746 -10.015 1.00 0.00 H new ATOM 287 N SER A 20 8.002 -7.066 -11.761 1.00 0.00 N ATOM 288 CA SER A 20 7.028 -6.144 -12.322 1.00 0.00 C ATOM 289 C SER A 20 6.893 -4.879 -11.478 1.00 0.00 C ATOM 290 O SER A 20 6.641 -3.805 -12.022 1.00 0.00 O ATOM 291 CB SER A 20 5.682 -6.858 -12.475 1.00 0.00 C ATOM 292 OG SER A 20 4.937 -6.235 -13.492 1.00 0.00 O ATOM 0 H SER A 20 7.631 -7.678 -11.035 1.00 0.00 H new ATOM 0 HA SER A 20 7.376 -5.826 -13.305 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.841 -7.909 -12.717 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.132 -6.827 -11.534 1.00 0.00 H new ATOM 0 HG SER A 20 4.076 -6.691 -13.593 1.00 0.00 H new ATOM 298 N GLY A 21 7.095 -4.995 -10.163 1.00 0.00 N ATOM 299 CA GLY A 21 6.829 -3.899 -9.251 1.00 0.00 C ATOM 300 C GLY A 21 5.347 -3.833 -8.941 1.00 0.00 C ATOM 301 O GLY A 21 4.660 -2.898 -9.350 1.00 0.00 O ATOM 0 H GLY A 21 7.443 -5.842 -9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.396 -4.035 -8.330 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.159 -2.959 -9.693 1.00 0.00 H new ATOM 305 N PHE A 22 4.896 -4.816 -8.159 1.00 0.00 N ATOM 306 CA PHE A 22 3.594 -4.867 -7.523 1.00 0.00 C ATOM 307 C PHE A 22 2.478 -4.988 -8.560 1.00 0.00 C ATOM 308 O PHE A 22 1.848 -4.007 -8.958 1.00 0.00 O ATOM 309 CB PHE A 22 3.398 -3.722 -6.513 1.00 0.00 C ATOM 310 CG PHE A 22 4.636 -3.059 -5.935 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.592 -3.814 -5.229 1.00 0.00 C ATOM 312 CD2 PHE A 22 4.804 -1.667 -6.070 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.672 -3.164 -4.607 1.00 0.00 C ATOM 314 CE2 PHE A 22 5.868 -1.018 -5.423 1.00 0.00 C ATOM 315 CZ PHE A 22 6.785 -1.762 -4.665 1.00 0.00 C ATOM 0 H PHE A 22 5.464 -5.636 -7.946 1.00 0.00 H new ATOM 0 HA PHE A 22 3.542 -5.776 -6.924 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.801 -2.949 -6.997 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.807 -4.108 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.496 -4.888 -5.166 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.112 -1.097 -6.673 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.418 -3.742 -4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.980 0.053 -5.509 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.576 -1.260 -4.127 1.00 0.00 H new ATOM 325 N GLY A 23 2.227 -6.224 -8.997 1.00 0.00 N ATOM 326 CA GLY A 23 1.251 -6.537 -10.031 1.00 0.00 C ATOM 327 C GLY A 23 -0.190 -6.461 -9.530 1.00 0.00 C ATOM 328 O GLY A 23 -0.910 -7.454 -9.608 1.00 0.00 O ATOM 0 H GLY A 23 2.707 -7.047 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.378 -5.846 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.445 -7.539 -10.415 1.00 0.00 H new ATOM 332 N PHE A 24 -0.628 -5.304 -9.040 1.00 0.00 N ATOM 333 CA PHE A 24 -2.000 -5.033 -8.633 1.00 0.00 C ATOM 334 C PHE A 24 -2.432 -3.672 -9.165 1.00 0.00 C ATOM 335 O PHE A 24 -1.621 -2.944 -9.743 1.00 0.00 O ATOM 336 CB PHE A 24 -2.131 -5.123 -7.104 1.00 0.00 C ATOM 337 CG PHE A 24 -1.479 -4.007 -6.288 1.00 0.00 C ATOM 338 CD1 PHE A 24 -2.204 -2.840 -5.975 1.00 0.00 C ATOM 339 CD2 PHE A 24 -0.173 -4.148 -5.779 1.00 0.00 C ATOM 340 CE1 PHE A 24 -1.661 -1.840 -5.157 1.00 0.00 C ATOM 341 CE2 PHE A 24 0.372 -3.142 -4.955 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.373 -1.996 -4.638 1.00 0.00 C ATOM 0 H PHE A 24 -0.012 -4.501 -8.912 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.665 -5.785 -9.058 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.192 -5.150 -6.855 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.704 -6.073 -6.782 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.200 -2.713 -6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.410 -5.025 -6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.235 -0.954 -4.929 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.372 -3.255 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.048 -1.237 -3.995 1.00 0.00 H new ATOM 352 N ARG A 25 -3.701 -3.325 -8.961 1.00 0.00 N ATOM 353 CA ARG A 25 -4.270 -2.023 -9.272 1.00 0.00 C ATOM 354 C ARG A 25 -5.015 -1.515 -8.047 1.00 0.00 C ATOM 355 O ARG A 25 -5.309 -2.292 -7.141 1.00 0.00 O ATOM 356 CB ARG A 25 -5.208 -2.165 -10.479 1.00 0.00 C ATOM 357 CG ARG A 25 -5.033 -0.985 -11.424 1.00 0.00 C ATOM 358 CD ARG A 25 -6.036 -1.042 -12.568 1.00 0.00 C ATOM 359 NE ARG A 25 -5.724 0.017 -13.530 1.00 0.00 N ATOM 360 CZ ARG A 25 -6.242 0.163 -14.744 1.00 0.00 C ATOM 361 NH1 ARG A 25 -7.208 -0.654 -15.155 1.00 0.00 N ATOM 362 NH2 ARG A 25 -5.765 1.101 -15.553 1.00 0.00 N ATOM 0 H ARG A 25 -4.383 -3.969 -8.560 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.491 -1.305 -9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.997 -3.096 -11.005 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.243 -2.218 -10.140 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.158 -0.053 -10.873 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.020 -0.984 -11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.996 -2.016 -13.055 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.049 -0.917 -12.187 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.039 0.714 -13.238 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.550 -1.391 -14.538 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.607 -0.543 -16.087 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.005 1.705 -15.241 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.159 1.218 -16.487 1.00 0.00 H new ATOM 376 N ILE A 26 -5.383 -0.242 -8.021 1.00 0.00 N ATOM 377 CA ILE A 26 -5.986 0.423 -6.870 1.00 0.00 C ATOM 378 C ILE A 26 -7.024 1.389 -7.444 1.00 0.00 C ATOM 379 O ILE A 26 -6.684 2.158 -8.340 1.00 0.00 O ATOM 380 CB ILE A 26 -4.892 1.100 -5.989 1.00 0.00 C ATOM 381 CG1 ILE A 26 -3.510 1.270 -6.674 1.00 0.00 C ATOM 382 CG2 ILE A 26 -4.694 0.258 -4.716 1.00 0.00 C ATOM 383 CD1 ILE A 26 -2.552 2.208 -5.936 1.00 0.00 C ATOM 0 H ILE A 26 -5.268 0.377 -8.823 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.481 -0.270 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.258 2.106 -5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.041 0.291 -6.767 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.663 1.648 -7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.931 0.720 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.633 0.205 -4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.378 -0.748 -4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.611 2.270 -6.482 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.997 3.201 -5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.365 1.822 -4.934 1.00 0.00 H new ATOM 395 N LEU A 27 -8.292 1.252 -7.032 1.00 0.00 N ATOM 396 CA LEU A 27 -9.486 1.955 -7.527 1.00 0.00 C ATOM 397 C LEU A 27 -10.385 2.294 -6.331 1.00 0.00 C ATOM 398 O LEU A 27 -9.973 2.117 -5.180 1.00 0.00 O ATOM 399 CB LEU A 27 -10.240 1.123 -8.592 1.00 0.00 C ATOM 400 CG LEU A 27 -9.386 0.758 -9.820 1.00 0.00 C ATOM 401 CD1 LEU A 27 -10.123 -0.182 -10.783 1.00 0.00 C ATOM 402 CD2 LEU A 27 -8.890 1.962 -10.605 1.00 0.00 C ATOM 0 H LEU A 27 -8.529 0.597 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.182 2.877 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.605 0.206 -8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.115 1.683 -8.924 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.520 0.249 -9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.479 -0.410 -11.633 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.380 -1.106 -10.264 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.034 0.301 -11.137 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.296 1.623 -11.454 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.743 2.538 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.275 2.589 -9.959 1.00 0.00 H new ATOM 414 N GLY A 28 -11.562 2.874 -6.560 1.00 0.00 N ATOM 415 CA GLY A 28 -12.338 3.447 -5.469 1.00 0.00 C ATOM 416 C GLY A 28 -11.576 4.641 -4.907 1.00 0.00 C ATOM 417 O GLY A 28 -10.847 5.305 -5.654 1.00 0.00 O ATOM 0 H GLY A 28 -11.993 2.958 -7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.320 3.758 -5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.503 2.703 -4.690 1.00 0.00 H new ATOM 421 N GLY A 29 -11.765 4.941 -3.616 1.00 0.00 N ATOM 422 CA GLY A 29 -11.177 6.118 -2.974 1.00 0.00 C ATOM 423 C GLY A 29 -11.438 7.393 -3.786 1.00 0.00 C ATOM 424 O GLY A 29 -10.585 8.279 -3.869 1.00 0.00 O ATOM 0 H GLY A 29 -12.332 4.371 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.592 6.232 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.103 5.972 -2.859 1.00 0.00 H new ATOM 428 N ASP A 30 -12.590 7.473 -4.457 1.00 0.00 N ATOM 429 CA ASP A 30 -12.916 8.594 -5.341 1.00 0.00 C ATOM 430 C ASP A 30 -13.201 9.858 -4.526 1.00 0.00 C ATOM 431 O ASP A 30 -13.138 10.971 -5.039 1.00 0.00 O ATOM 432 CB ASP A 30 -14.124 8.235 -6.215 1.00 0.00 C ATOM 433 CG ASP A 30 -14.014 8.760 -7.651 1.00 0.00 C ATOM 434 OD1 ASP A 30 -13.379 9.801 -7.931 1.00 0.00 O ATOM 435 OD2 ASP A 30 -14.516 8.052 -8.552 1.00 0.00 O ATOM 0 H ASP A 30 -13.321 6.764 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.060 8.792 -5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.236 7.151 -6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.027 8.638 -5.757 1.00 0.00 H new ATOM 440 N GLU A 31 -13.460 9.688 -3.230 1.00 0.00 N ATOM 441 CA GLU A 31 -13.722 10.728 -2.255 1.00 0.00 C ATOM 442 C GLU A 31 -12.857 10.439 -1.021 1.00 0.00 C ATOM 443 O GLU A 31 -12.421 9.294 -0.835 1.00 0.00 O ATOM 444 CB GLU A 31 -15.202 10.700 -1.859 1.00 0.00 C ATOM 445 CG GLU A 31 -16.196 10.784 -3.018 1.00 0.00 C ATOM 446 CD GLU A 31 -16.159 12.108 -3.794 1.00 0.00 C ATOM 447 OE1 GLU A 31 -15.581 13.109 -3.312 1.00 0.00 O ATOM 448 OE2 GLU A 31 -16.811 12.184 -4.864 1.00 0.00 O ATOM 0 H GLU A 31 -13.493 8.757 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.487 11.709 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.394 9.782 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.394 11.529 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.997 9.966 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.203 10.634 -2.628 1.00 0.00 H new ATOM 455 N PRO A 32 -12.615 11.441 -0.164 1.00 0.00 N ATOM 456 CA PRO A 32 -11.751 11.328 0.998 1.00 0.00 C ATOM 457 C PRO A 32 -12.518 10.654 2.127 1.00 0.00 C ATOM 458 O PRO A 32 -13.029 11.283 3.055 1.00 0.00 O ATOM 459 CB PRO A 32 -11.315 12.763 1.302 1.00 0.00 C ATOM 460 CG PRO A 32 -12.550 13.571 0.901 1.00 0.00 C ATOM 461 CD PRO A 32 -13.154 12.787 -0.261 1.00 0.00 C ATOM 0 HA PRO A 32 -10.868 10.707 0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.065 12.898 2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.436 13.051 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.253 13.660 1.729 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.282 14.584 0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -14.242 12.776 -0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.893 13.243 -1.216 1.00 0.00 H new ATOM 469 N GLY A 33 -12.592 9.338 2.009 1.00 0.00 N ATOM 470 CA GLY A 33 -13.348 8.457 2.866 1.00 0.00 C ATOM 471 C GLY A 33 -14.375 7.708 2.035 1.00 0.00 C ATOM 472 O GLY A 33 -15.561 7.703 2.373 1.00 0.00 O ATOM 0 H GLY A 33 -12.098 8.835 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.681 7.752 3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.845 9.030 3.649 1.00 0.00 H new ATOM 476 N GLN A 34 -13.915 7.090 0.947 1.00 0.00 N ATOM 477 CA GLN A 34 -14.562 5.980 0.261 1.00 0.00 C ATOM 478 C GLN A 34 -13.608 4.781 0.322 1.00 0.00 C ATOM 479 O GLN A 34 -12.407 4.979 0.539 1.00 0.00 O ATOM 480 CB GLN A 34 -14.884 6.388 -1.185 1.00 0.00 C ATOM 481 CG GLN A 34 -16.291 6.977 -1.328 1.00 0.00 C ATOM 482 CD GLN A 34 -17.426 5.968 -1.259 1.00 0.00 C ATOM 483 OE1 GLN A 34 -17.716 5.369 -0.229 1.00 0.00 O ATOM 484 NE2 GLN A 34 -18.134 5.784 -2.352 1.00 0.00 N ATOM 0 H GLN A 34 -13.040 7.366 0.502 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.506 5.709 0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.151 7.120 -1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.790 5.518 -1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.438 7.719 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -16.352 7.504 -2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.891 6.284 -3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.926 5.142 -2.344 1.00 0.00 H new ATOM 493 N PRO A 35 -14.112 3.548 0.148 1.00 0.00 N ATOM 494 CA PRO A 35 -13.321 2.359 0.391 1.00 0.00 C ATOM 495 C PRO A 35 -12.268 2.234 -0.697 1.00 0.00 C ATOM 496 O PRO A 35 -12.512 2.544 -1.869 1.00 0.00 O ATOM 497 CB PRO A 35 -14.303 1.192 0.387 1.00 0.00 C ATOM 498 CG PRO A 35 -15.461 1.677 -0.488 1.00 0.00 C ATOM 499 CD PRO A 35 -15.403 3.206 -0.427 1.00 0.00 C ATOM 0 HA PRO A 35 -12.788 2.388 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.847 0.290 -0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.640 0.952 1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -15.356 1.320 -1.513 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.416 1.305 -0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.511 3.638 -1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.216 3.601 0.182 1.00 0.00 H new ATOM 507 N ILE A 36 -11.103 1.744 -0.297 1.00 0.00 N ATOM 508 CA ILE A 36 -9.951 1.650 -1.165 1.00 0.00 C ATOM 509 C ILE A 36 -9.789 0.191 -1.544 1.00 0.00 C ATOM 510 O ILE A 36 -9.027 -0.582 -0.986 1.00 0.00 O ATOM 511 CB ILE A 36 -8.749 2.412 -0.566 1.00 0.00 C ATOM 512 CG1 ILE A 36 -9.153 3.902 -0.398 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.561 2.277 -1.515 1.00 0.00 C ATOM 514 CD1 ILE A 36 -8.004 4.894 -0.197 1.00 0.00 C ATOM 0 H ILE A 36 -10.935 1.399 0.648 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.065 2.170 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.468 2.005 0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.718 4.206 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.827 3.980 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.704 2.811 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.309 1.223 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.821 2.700 -2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.407 5.901 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.448 4.630 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.338 4.858 -1.059 1.00 0.00 H new ATOM 526 N LEU A 37 -10.618 -0.186 -2.495 1.00 0.00 N ATOM 527 CA LEU A 37 -10.784 -1.531 -3.008 1.00 0.00 C ATOM 528 C LEU A 37 -9.736 -1.795 -4.072 1.00 0.00 C ATOM 529 O LEU A 37 -9.618 -1.023 -5.023 1.00 0.00 O ATOM 530 CB LEU A 37 -12.221 -1.716 -3.530 1.00 0.00 C ATOM 531 CG LEU A 37 -13.313 -1.539 -2.454 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.612 -2.234 -2.872 1.00 0.00 C ATOM 533 CD2 LEU A 37 -12.898 -2.101 -1.088 1.00 0.00 C ATOM 0 H LEU A 37 -11.233 0.481 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.637 -2.264 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.399 -1.001 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.312 -2.712 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.462 -0.463 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.365 -2.094 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.970 -1.804 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.427 -3.299 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.705 -1.948 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.692 -3.167 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.002 -1.587 -0.740 1.00 0.00 H new ATOM 545 N ILE A 38 -8.945 -2.858 -3.900 1.00 0.00 N ATOM 546 CA ILE A 38 -7.961 -3.310 -4.875 1.00 0.00 C ATOM 547 C ILE A 38 -8.635 -3.338 -6.262 1.00 0.00 C ATOM 548 O ILE A 38 -9.708 -3.921 -6.432 1.00 0.00 O ATOM 549 CB ILE A 38 -7.387 -4.690 -4.488 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.700 -4.727 -3.108 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.406 -5.200 -5.557 1.00 0.00 C ATOM 552 CD1 ILE A 38 -5.391 -3.944 -2.993 1.00 0.00 C ATOM 0 H ILE A 38 -8.975 -3.437 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.115 -2.623 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.255 -5.346 -4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.398 -4.341 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.503 -5.767 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.017 -6.174 -5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.924 -5.293 -6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.581 -4.495 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.997 -4.040 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.666 -4.341 -3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.576 -2.892 -3.212 1.00 0.00 H new ATOM 564 N GLY A 39 -7.995 -2.715 -7.244 1.00 0.00 N ATOM 565 CA GLY A 39 -8.511 -2.344 -8.554 1.00 0.00 C ATOM 566 C GLY A 39 -8.477 -3.424 -9.641 1.00 0.00 C ATOM 567 O GLY A 39 -8.858 -3.116 -10.774 1.00 0.00 O ATOM 0 H GLY A 39 -7.021 -2.433 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.544 -2.017 -8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.944 -1.484 -8.911 1.00 0.00 H new ATOM 571 N ALA A 40 -7.964 -4.619 -9.318 1.00 0.00 N ATOM 572 CA ALA A 40 -7.786 -5.859 -10.084 1.00 0.00 C ATOM 573 C ALA A 40 -6.323 -6.304 -9.972 1.00 0.00 C ATOM 574 O ALA A 40 -5.414 -5.483 -10.130 1.00 0.00 O ATOM 575 CB ALA A 40 -8.208 -5.738 -11.547 1.00 0.00 C ATOM 0 H ALA A 40 -7.612 -4.755 -8.370 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.447 -6.611 -9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.049 -6.691 -12.052 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.263 -5.471 -11.600 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.613 -4.966 -12.035 1.00 0.00 H new ATOM 581 N VAL A 41 -6.079 -7.591 -9.720 1.00 0.00 N ATOM 582 CA VAL A 41 -4.742 -8.175 -9.726 1.00 0.00 C ATOM 583 C VAL A 41 -4.357 -8.362 -11.194 1.00 0.00 C ATOM 584 O VAL A 41 -5.214 -8.483 -12.077 1.00 0.00 O ATOM 585 CB VAL A 41 -4.673 -9.476 -8.873 1.00 0.00 C ATOM 586 CG1 VAL A 41 -3.239 -10.017 -8.752 1.00 0.00 C ATOM 587 CG2 VAL A 41 -5.188 -9.266 -7.430 1.00 0.00 C ATOM 0 H VAL A 41 -6.815 -8.263 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.014 -7.521 -9.247 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.309 -10.185 -9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.242 -10.925 -8.148 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.850 -10.243 -9.745 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.606 -9.267 -8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.118 -10.204 -6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.582 -8.507 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.227 -8.939 -7.459 1.00 0.00 H new ATOM 597 N ILE A 42 -3.067 -8.282 -11.493 1.00 0.00 N ATOM 598 CA ILE A 42 -2.549 -8.659 -12.793 1.00 0.00 C ATOM 599 C ILE A 42 -2.542 -10.183 -12.820 1.00 0.00 C ATOM 600 O ILE A 42 -1.873 -10.791 -11.986 1.00 0.00 O ATOM 601 CB ILE A 42 -1.157 -8.050 -12.994 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.168 -6.521 -12.780 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.671 -8.423 -14.395 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.060 -5.725 -13.721 1.00 0.00 C ATOM 0 H ILE A 42 -2.355 -7.954 -10.840 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.159 -8.283 -13.614 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.469 -8.452 -12.250 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.481 -6.319 -11.756 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.147 -6.152 -12.879 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.320 -8.000 -14.561 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.622 -9.508 -14.486 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.364 -8.027 -15.138 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.989 -4.664 -13.479 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.738 -5.885 -14.750 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.093 -6.054 -13.609 1.00 0.00 H new ATOM 616 N ALA A 43 -3.308 -10.783 -13.736 1.00 0.00 N ATOM 617 CA ALA A 43 -3.673 -12.190 -13.649 1.00 0.00 C ATOM 618 C ALA A 43 -2.460 -13.112 -13.588 1.00 0.00 C ATOM 619 O ALA A 43 -2.507 -14.122 -12.892 1.00 0.00 O ATOM 620 CB ALA A 43 -4.556 -12.586 -14.834 1.00 0.00 C ATOM 0 H ALA A 43 -3.688 -10.305 -14.553 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.224 -12.311 -12.716 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.820 -13.640 -14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.464 -11.983 -14.829 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.014 -12.417 -15.764 1.00 0.00 H new ATOM 626 N MET A 44 -1.390 -12.760 -14.299 1.00 0.00 N ATOM 627 CA MET A 44 -0.126 -13.469 -14.277 1.00 0.00 C ATOM 628 C MET A 44 0.950 -12.410 -14.076 1.00 0.00 C ATOM 629 O MET A 44 1.089 -11.499 -14.900 1.00 0.00 O ATOM 630 CB MET A 44 0.043 -14.295 -15.561 1.00 0.00 C ATOM 631 CG MET A 44 -1.025 -15.400 -15.651 1.00 0.00 C ATOM 632 SD MET A 44 -0.553 -16.925 -16.524 1.00 0.00 S ATOM 633 CE MET A 44 -0.440 -16.303 -18.212 1.00 0.00 C ATOM 0 H MET A 44 -1.385 -11.951 -14.921 1.00 0.00 H new ATOM 0 HA MET A 44 -0.063 -14.197 -13.468 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.031 -13.642 -16.430 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.037 -14.742 -15.582 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.324 -15.667 -14.637 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.904 -14.984 -16.144 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.158 -17.116 -18.881 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.406 -15.901 -18.517 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.312 -15.516 -18.260 1.00 0.00 H new ATOM 643 N GLY A 45 1.643 -12.454 -12.941 1.00 0.00 N ATOM 644 CA GLY A 45 2.598 -11.435 -12.551 1.00 0.00 C ATOM 645 C GLY A 45 2.898 -11.504 -11.063 1.00 0.00 C ATOM 646 O GLY A 45 2.374 -12.349 -10.337 1.00 0.00 O ATOM 0 H GLY A 45 1.552 -13.210 -12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.521 -11.562 -13.117 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.204 -10.450 -12.800 1.00 0.00 H new ATOM 650 N SER A 46 3.734 -10.574 -10.604 1.00 0.00 N ATOM 651 CA SER A 46 4.379 -10.609 -9.299 1.00 0.00 C ATOM 652 C SER A 46 3.404 -10.825 -8.132 1.00 0.00 C ATOM 653 O SER A 46 3.684 -11.632 -7.247 1.00 0.00 O ATOM 654 CB SER A 46 5.176 -9.307 -9.127 1.00 0.00 C ATOM 655 OG SER A 46 5.998 -9.024 -10.256 1.00 0.00 O ATOM 0 H SER A 46 3.987 -9.750 -11.150 1.00 0.00 H new ATOM 0 HA SER A 46 5.041 -11.475 -9.270 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.485 -8.479 -8.966 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.799 -9.380 -8.236 1.00 0.00 H new ATOM 0 HG SER A 46 6.526 -9.818 -10.483 1.00 0.00 H new ATOM 661 N ALA A 47 2.270 -10.115 -8.113 1.00 0.00 N ATOM 662 CA ALA A 47 1.330 -10.197 -7.001 1.00 0.00 C ATOM 663 C ALA A 47 0.610 -11.544 -6.979 1.00 0.00 C ATOM 664 O ALA A 47 0.438 -12.100 -5.898 1.00 0.00 O ATOM 665 CB ALA A 47 0.309 -9.064 -7.076 1.00 0.00 C ATOM 0 H ALA A 47 1.986 -9.479 -8.858 1.00 0.00 H new ATOM 0 HA ALA A 47 1.903 -10.100 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.384 -9.142 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.826 -8.105 -7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.245 -9.135 -8.012 1.00 0.00 H new ATOM 671 N ASP A 48 0.209 -12.065 -8.145 1.00 0.00 N ATOM 672 CA ASP A 48 -0.421 -13.381 -8.253 1.00 0.00 C ATOM 673 C ASP A 48 0.550 -14.471 -7.806 1.00 0.00 C ATOM 674 O ASP A 48 0.156 -15.345 -7.038 1.00 0.00 O ATOM 675 CB ASP A 48 -0.907 -13.665 -9.679 1.00 0.00 C ATOM 676 CG ASP A 48 -1.458 -15.094 -9.763 1.00 0.00 C ATOM 677 OD1 ASP A 48 -2.590 -15.324 -9.269 1.00 0.00 O ATOM 678 OD2 ASP A 48 -0.764 -15.992 -10.290 1.00 0.00 O ATOM 0 H ASP A 48 0.313 -11.584 -9.038 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.292 -13.381 -7.598 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.680 -12.950 -9.959 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.086 -13.539 -10.385 1.00 0.00 H new ATOM 683 N ARG A 49 1.830 -14.367 -8.191 1.00 0.00 N ATOM 684 CA ARG A 49 2.866 -15.281 -7.716 1.00 0.00 C ATOM 685 C ARG A 49 2.991 -15.232 -6.204 1.00 0.00 C ATOM 686 O ARG A 49 3.085 -16.287 -5.581 1.00 0.00 O ATOM 687 CB ARG A 49 4.232 -14.967 -8.336 1.00 0.00 C ATOM 688 CG ARG A 49 4.360 -15.489 -9.765 1.00 0.00 C ATOM 689 CD ARG A 49 5.839 -15.410 -10.156 1.00 0.00 C ATOM 690 NE ARG A 49 6.096 -16.008 -11.464 1.00 0.00 N ATOM 691 CZ ARG A 49 6.176 -17.306 -11.762 1.00 0.00 C ATOM 692 NH1 ARG A 49 5.961 -18.234 -10.834 1.00 0.00 N ATOM 693 NH2 ARG A 49 6.470 -17.669 -12.998 1.00 0.00 N ATOM 0 H ARG A 49 2.169 -13.652 -8.835 1.00 0.00 H new ATOM 0 HA ARG A 49 2.560 -16.280 -8.025 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.390 -13.889 -8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.017 -15.407 -7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.001 -16.516 -9.831 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.752 -14.894 -10.446 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.155 -14.367 -10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.440 -15.918 -9.402 1.00 0.00 H new ATOM 0 HE ARG A 49 6.230 -15.358 -12.239 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.731 -17.957 -9.880 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.026 -19.223 -11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.633 -16.960 -13.713 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.534 -18.658 -13.237 1.00 0.00 H new ATOM 707 N ASP A 50 3.034 -14.038 -5.608 1.00 0.00 N ATOM 708 CA ASP A 50 3.085 -13.895 -4.148 1.00 0.00 C ATOM 709 C ASP A 50 1.799 -14.437 -3.507 1.00 0.00 C ATOM 710 O ASP A 50 1.786 -14.778 -2.328 1.00 0.00 O ATOM 711 CB ASP A 50 3.325 -12.431 -3.737 1.00 0.00 C ATOM 712 CG ASP A 50 4.461 -12.259 -2.718 1.00 0.00 C ATOM 713 OD1 ASP A 50 4.462 -12.926 -1.651 1.00 0.00 O ATOM 714 OD2 ASP A 50 5.356 -11.420 -2.990 1.00 0.00 O ATOM 0 H ASP A 50 3.035 -13.153 -6.115 1.00 0.00 H new ATOM 0 HA ASP A 50 3.927 -14.483 -3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.554 -11.845 -4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.405 -12.025 -3.316 1.00 0.00 H new ATOM 719 N GLY A 51 0.708 -14.533 -4.270 1.00 0.00 N ATOM 720 CA GLY A 51 -0.508 -15.247 -3.913 1.00 0.00 C ATOM 721 C GLY A 51 -1.310 -14.574 -2.806 1.00 0.00 C ATOM 722 O GLY A 51 -2.341 -15.113 -2.418 1.00 0.00 O ATOM 0 H GLY A 51 0.651 -14.096 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.136 -15.342 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.247 -16.257 -3.598 1.00 0.00 H new ATOM 726 N ARG A 52 -0.864 -13.431 -2.275 1.00 0.00 N ATOM 727 CA ARG A 52 -1.468 -12.825 -1.093 1.00 0.00 C ATOM 728 C ARG A 52 -2.436 -11.689 -1.403 1.00 0.00 C ATOM 729 O ARG A 52 -3.257 -11.412 -0.533 1.00 0.00 O ATOM 730 CB ARG A 52 -0.382 -12.377 -0.102 1.00 0.00 C ATOM 731 CG ARG A 52 0.088 -13.496 0.842 1.00 0.00 C ATOM 732 CD ARG A 52 0.690 -12.920 2.135 1.00 0.00 C ATOM 733 NE ARG A 52 2.011 -12.301 1.931 1.00 0.00 N ATOM 734 CZ ARG A 52 2.729 -11.715 2.900 1.00 0.00 C ATOM 735 NH1 ARG A 52 2.173 -11.323 4.041 1.00 0.00 N ATOM 736 NH2 ARG A 52 4.019 -11.485 2.707 1.00 0.00 N ATOM 0 H ARG A 52 -0.077 -12.905 -2.654 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.076 -13.603 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.475 -12.000 -0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.764 -11.548 0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.753 -14.145 1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.830 -14.114 0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.007 -12.177 2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.779 -13.716 2.874 1.00 0.00 H new ATOM 0 HE ARG A 52 2.406 -12.319 0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.175 -11.465 4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.744 -10.880 4.761 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.459 -11.753 1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.573 -11.040 3.439 1.00 0.00 H new ATOM 750 N LEU A 53 -2.363 -11.039 -2.571 1.00 0.00 N ATOM 751 CA LEU A 53 -3.365 -10.052 -2.980 1.00 0.00 C ATOM 752 C LEU A 53 -4.384 -10.751 -3.867 1.00 0.00 C ATOM 753 O LEU A 53 -4.007 -11.579 -4.699 1.00 0.00 O ATOM 754 CB LEU A 53 -2.754 -8.896 -3.793 1.00 0.00 C ATOM 755 CG LEU A 53 -2.556 -7.584 -3.012 1.00 0.00 C ATOM 756 CD1 LEU A 53 -2.081 -6.520 -3.996 1.00 0.00 C ATOM 757 CD2 LEU A 53 -3.846 -7.051 -2.388 1.00 0.00 C ATOM 0 H LEU A 53 -1.616 -11.181 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.811 -9.637 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.789 -9.217 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.395 -8.697 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.846 -7.793 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.932 -5.578 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.140 -6.836 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.830 -6.385 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.636 -6.125 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.577 -6.858 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.246 -7.789 -1.693 1.00 0.00 H new ATOM 769 N HIS A 54 -5.637 -10.320 -3.773 1.00 0.00 N ATOM 770 CA HIS A 54 -6.765 -10.801 -4.553 1.00 0.00 C ATOM 771 C HIS A 54 -7.668 -9.624 -4.949 1.00 0.00 C ATOM 772 O HIS A 54 -7.309 -8.453 -4.765 1.00 0.00 O ATOM 773 CB HIS A 54 -7.463 -11.914 -3.755 1.00 0.00 C ATOM 774 CG HIS A 54 -6.674 -13.199 -3.816 1.00 0.00 C ATOM 775 ND1 HIS A 54 -6.017 -13.793 -2.768 1.00 0.00 N ATOM 776 CD2 HIS A 54 -6.402 -13.932 -4.939 1.00 0.00 C ATOM 777 CE1 HIS A 54 -5.369 -14.866 -3.243 1.00 0.00 C ATOM 778 NE2 HIS A 54 -5.586 -15.005 -4.564 1.00 0.00 N ATOM 0 H HIS A 54 -5.904 -9.587 -3.116 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.450 -11.243 -5.498 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.580 -11.604 -2.717 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -8.464 -12.079 -4.153 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.755 -13.720 -5.938 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.757 -15.528 -2.648 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -5.228 -15.744 -5.170 1.00 0.00 H new ATOM 786 N PRO A 55 -8.771 -9.899 -5.660 1.00 0.00 N ATOM 787 CA PRO A 55 -9.769 -8.904 -6.020 1.00 0.00 C ATOM 788 C PRO A 55 -10.925 -8.876 -5.021 1.00 0.00 C ATOM 789 O PRO A 55 -11.482 -9.905 -4.627 1.00 0.00 O ATOM 790 CB PRO A 55 -10.235 -9.277 -7.441 1.00 0.00 C ATOM 791 CG PRO A 55 -9.359 -10.465 -7.846 1.00 0.00 C ATOM 792 CD PRO A 55 -8.920 -11.052 -6.524 1.00 0.00 C ATOM 0 HA PRO A 55 -9.355 -7.896 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.292 -9.544 -7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.110 -8.441 -8.130 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.916 -11.189 -8.441 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.506 -10.148 -8.446 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.659 -11.751 -6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.983 -11.601 -6.622 1.00 0.00 H new ATOM 800 N GLY A 56 -11.358 -7.665 -4.691 1.00 0.00 N ATOM 801 CA GLY A 56 -12.444 -7.370 -3.769 1.00 0.00 C ATOM 802 C GLY A 56 -11.928 -7.019 -2.385 1.00 0.00 C ATOM 803 O GLY A 56 -12.727 -6.652 -1.522 1.00 0.00 O ATOM 0 H GLY A 56 -10.939 -6.821 -5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.036 -6.541 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.108 -8.232 -3.702 1.00 0.00 H new ATOM 807 N ASP A 57 -10.621 -7.092 -2.159 1.00 0.00 N ATOM 808 CA ASP A 57 -10.004 -6.753 -0.897 1.00 0.00 C ATOM 809 C ASP A 57 -10.037 -5.235 -0.773 1.00 0.00 C ATOM 810 O ASP A 57 -9.868 -4.513 -1.760 1.00 0.00 O ATOM 811 CB ASP A 57 -8.580 -7.316 -0.865 1.00 0.00 C ATOM 812 CG ASP A 57 -8.571 -8.813 -1.155 1.00 0.00 C ATOM 813 OD1 ASP A 57 -8.732 -9.198 -2.328 1.00 0.00 O ATOM 814 OD2 ASP A 57 -8.544 -9.618 -0.196 1.00 0.00 O ATOM 0 H ASP A 57 -9.953 -7.396 -2.868 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.533 -7.187 -0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.965 -6.797 -1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.135 -7.130 0.112 1.00 0.00 H new ATOM 819 N GLU A 58 -10.318 -4.753 0.428 1.00 0.00 N ATOM 820 CA GLU A 58 -10.288 -3.365 0.839 1.00 0.00 C ATOM 821 C GLU A 58 -8.940 -3.132 1.514 1.00 0.00 C ATOM 822 O GLU A 58 -8.512 -3.953 2.318 1.00 0.00 O ATOM 823 CB GLU A 58 -11.450 -3.175 1.819 1.00 0.00 C ATOM 824 CG GLU A 58 -11.826 -1.702 2.098 1.00 0.00 C ATOM 825 CD GLU A 58 -11.799 -1.300 3.588 1.00 0.00 C ATOM 826 OE1 GLU A 58 -12.026 -2.146 4.485 1.00 0.00 O ATOM 827 OE2 GLU A 58 -11.650 -0.089 3.867 1.00 0.00 O ATOM 0 H GLU A 58 -10.592 -5.369 1.193 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.396 -2.661 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.326 -3.691 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.193 -3.655 2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.141 -1.056 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.825 -1.515 1.703 1.00 0.00 H new ATOM 834 N LEU A 59 -8.249 -2.060 1.154 1.00 0.00 N ATOM 835 CA LEU A 59 -6.962 -1.649 1.694 1.00 0.00 C ATOM 836 C LEU A 59 -7.183 -0.817 2.943 1.00 0.00 C ATOM 837 O LEU A 59 -8.179 -0.100 3.061 1.00 0.00 O ATOM 838 CB LEU A 59 -6.147 -0.814 0.683 1.00 0.00 C ATOM 839 CG LEU A 59 -5.268 -1.654 -0.256 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.600 -0.771 -1.303 1.00 0.00 C ATOM 841 CD2 LEU A 59 -4.112 -2.345 0.485 1.00 0.00 C ATOM 0 H LEU A 59 -8.591 -1.419 0.438 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.399 -2.554 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.834 -0.217 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.513 -0.117 1.231 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.940 -2.390 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.982 -1.386 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.364 -0.266 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.975 -0.028 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.521 -2.926 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.479 -1.592 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.515 -3.008 1.251 1.00 0.00 H new ATOM 853 N VAL A 60 -6.190 -0.870 3.819 1.00 0.00 N ATOM 854 CA VAL A 60 -6.130 -0.112 5.060 1.00 0.00 C ATOM 855 C VAL A 60 -4.817 0.665 5.097 1.00 0.00 C ATOM 856 O VAL A 60 -4.844 1.881 5.290 1.00 0.00 O ATOM 857 CB VAL A 60 -6.293 -1.044 6.281 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.677 -0.223 7.518 1.00 0.00 C ATOM 859 CG2 VAL A 60 -7.350 -2.133 6.069 1.00 0.00 C ATOM 0 H VAL A 60 -5.373 -1.465 3.679 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.955 0.599 5.104 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.331 -1.537 6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.790 -0.887 8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.896 0.508 7.726 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.618 0.295 7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.417 -2.754 6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.317 -1.669 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.069 -2.752 5.217 1.00 0.00 H new ATOM 869 N TYR A 61 -3.685 -0.005 4.844 1.00 0.00 N ATOM 870 CA TYR A 61 -2.357 0.596 4.875 1.00 0.00 C ATOM 871 C TYR A 61 -1.620 0.298 3.577 1.00 0.00 C ATOM 872 O TYR A 61 -1.854 -0.746 2.963 1.00 0.00 O ATOM 873 CB TYR A 61 -1.540 0.073 6.065 1.00 0.00 C ATOM 874 CG TYR A 61 -2.075 0.436 7.435 1.00 0.00 C ATOM 875 CD1 TYR A 61 -3.069 -0.347 8.048 1.00 0.00 C ATOM 876 CD2 TYR A 61 -1.581 1.575 8.095 1.00 0.00 C ATOM 877 CE1 TYR A 61 -3.614 0.037 9.283 1.00 0.00 C ATOM 878 CE2 TYR A 61 -2.106 1.955 9.344 1.00 0.00 C ATOM 879 CZ TYR A 61 -3.154 1.204 9.927 1.00 0.00 C ATOM 880 OH TYR A 61 -3.726 1.590 11.101 1.00 0.00 O ATOM 0 H TYR A 61 -3.673 -0.997 4.608 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.477 1.674 4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.481 -1.013 5.993 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.522 0.453 5.979 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.415 -1.249 7.566 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.795 2.161 7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.387 -0.562 9.741 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.710 2.819 9.857 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.298 2.412 11.419 1.00 0.00 H new ATOM 890 N VAL A 62 -0.701 1.186 3.205 1.00 0.00 N ATOM 891 CA VAL A 62 0.181 1.068 2.053 1.00 0.00 C ATOM 892 C VAL A 62 1.523 1.679 2.459 1.00 0.00 C ATOM 893 O VAL A 62 1.574 2.830 2.887 1.00 0.00 O ATOM 894 CB VAL A 62 -0.432 1.782 0.827 1.00 0.00 C ATOM 895 CG1 VAL A 62 0.534 1.810 -0.367 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.736 1.106 0.370 1.00 0.00 C ATOM 0 H VAL A 62 -0.546 2.049 3.726 1.00 0.00 H new ATOM 0 HA VAL A 62 0.319 0.027 1.762 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.637 2.802 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.061 2.321 -1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.445 2.339 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.783 0.789 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.137 1.636 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.533 0.070 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.463 1.132 1.182 1.00 0.00 H new ATOM 906 N ASP A 63 2.599 0.898 2.343 1.00 0.00 N ATOM 907 CA ASP A 63 3.996 1.247 2.637 1.00 0.00 C ATOM 908 C ASP A 63 4.205 1.768 4.069 1.00 0.00 C ATOM 909 O ASP A 63 5.209 2.418 4.351 1.00 0.00 O ATOM 910 CB ASP A 63 4.577 2.174 1.545 1.00 0.00 C ATOM 911 CG ASP A 63 6.092 2.001 1.346 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.560 0.841 1.347 1.00 0.00 O ATOM 913 OD2 ASP A 63 6.790 3.011 1.082 1.00 0.00 O ATOM 0 H ASP A 63 2.514 -0.065 2.018 1.00 0.00 H new ATOM 0 HA ASP A 63 4.574 0.324 2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.068 1.976 0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.368 3.211 1.809 1.00 0.00 H new ATOM 918 N GLY A 64 3.256 1.484 4.972 1.00 0.00 N ATOM 919 CA GLY A 64 3.240 1.876 6.380 1.00 0.00 C ATOM 920 C GLY A 64 2.159 2.911 6.720 1.00 0.00 C ATOM 921 O GLY A 64 1.836 3.098 7.893 1.00 0.00 O ATOM 0 H GLY A 64 2.430 0.941 4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.086 0.988 6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.216 2.282 6.646 1.00 0.00 H new ATOM 925 N ILE A 65 1.580 3.587 5.724 1.00 0.00 N ATOM 926 CA ILE A 65 0.703 4.734 5.910 1.00 0.00 C ATOM 927 C ILE A 65 -0.747 4.265 5.756 1.00 0.00 C ATOM 928 O ILE A 65 -1.064 3.582 4.779 1.00 0.00 O ATOM 929 CB ILE A 65 1.059 5.812 4.859 1.00 0.00 C ATOM 930 CG1 ILE A 65 2.536 6.268 4.867 1.00 0.00 C ATOM 931 CG2 ILE A 65 0.200 7.070 5.060 1.00 0.00 C ATOM 932 CD1 ILE A 65 3.538 5.323 4.204 1.00 0.00 C ATOM 0 H ILE A 65 1.715 3.341 4.743 1.00 0.00 H new ATOM 0 HA ILE A 65 0.828 5.168 6.902 1.00 0.00 H new ATOM 0 HB ILE A 65 0.864 5.324 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.598 7.236 4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.842 6.420 5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.466 7.816 4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.854 6.811 4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.378 7.477 6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.539 5.749 4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.519 4.358 4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.271 5.187 3.156 1.00 0.00 H new ATOM 944 N PRO A 66 -1.645 4.633 6.683 1.00 0.00 N ATOM 945 CA PRO A 66 -3.063 4.347 6.586 1.00 0.00 C ATOM 946 C PRO A 66 -3.676 5.235 5.509 1.00 0.00 C ATOM 947 O PRO A 66 -3.776 6.455 5.669 1.00 0.00 O ATOM 948 CB PRO A 66 -3.670 4.612 7.962 1.00 0.00 C ATOM 949 CG PRO A 66 -2.656 5.527 8.641 1.00 0.00 C ATOM 950 CD PRO A 66 -1.358 5.407 7.871 1.00 0.00 C ATOM 0 HA PRO A 66 -3.257 3.313 6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.647 5.088 7.882 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.811 3.687 8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.009 6.558 8.642 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.514 5.238 9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.973 6.392 7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.594 4.918 8.475 1.00 0.00 H new ATOM 958 N VAL A 67 -4.095 4.614 4.413 1.00 0.00 N ATOM 959 CA VAL A 67 -4.766 5.284 3.300 1.00 0.00 C ATOM 960 C VAL A 67 -6.228 5.625 3.630 1.00 0.00 C ATOM 961 O VAL A 67 -6.912 6.259 2.825 1.00 0.00 O ATOM 962 CB VAL A 67 -4.646 4.422 2.025 1.00 0.00 C ATOM 963 CG1 VAL A 67 -3.172 4.266 1.627 1.00 0.00 C ATOM 964 CG2 VAL A 67 -5.275 3.022 2.139 1.00 0.00 C ATOM 0 H VAL A 67 -3.977 3.611 4.268 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.269 6.237 3.120 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.210 4.961 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.101 3.656 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.741 5.249 1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.626 3.782 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.144 2.487 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.788 2.469 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.339 3.118 2.357 1.00 0.00 H new ATOM 974 N ALA A 68 -6.725 5.202 4.797 1.00 0.00 N ATOM 975 CA ALA A 68 -8.125 5.341 5.163 1.00 0.00 C ATOM 976 C ALA A 68 -8.481 6.826 5.271 1.00 0.00 C ATOM 977 O ALA A 68 -7.802 7.577 5.979 1.00 0.00 O ATOM 978 CB ALA A 68 -8.375 4.595 6.477 1.00 0.00 C ATOM 0 H ALA A 68 -6.157 4.751 5.514 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.766 4.903 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.423 4.695 6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.133 3.540 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.747 5.019 7.261 1.00 0.00 H new ATOM 984 N GLY A 69 -9.522 7.265 4.562 1.00 0.00 N ATOM 985 CA GLY A 69 -9.983 8.647 4.550 1.00 0.00 C ATOM 986 C GLY A 69 -9.314 9.488 3.463 1.00 0.00 C ATOM 987 O GLY A 69 -9.688 10.641 3.266 1.00 0.00 O ATOM 0 H GLY A 69 -10.079 6.652 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.063 8.663 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.788 9.098 5.523 1.00 0.00 H new ATOM 991 N LYS A 70 -8.309 8.962 2.761 1.00 0.00 N ATOM 992 CA LYS A 70 -7.643 9.648 1.662 1.00 0.00 C ATOM 993 C LYS A 70 -8.331 9.274 0.355 1.00 0.00 C ATOM 994 O LYS A 70 -9.243 8.439 0.333 1.00 0.00 O ATOM 995 CB LYS A 70 -6.147 9.292 1.651 1.00 0.00 C ATOM 996 CG LYS A 70 -5.516 9.313 3.047 1.00 0.00 C ATOM 997 CD LYS A 70 -5.717 10.639 3.783 1.00 0.00 C ATOM 998 CE LYS A 70 -4.724 10.709 4.943 1.00 0.00 C ATOM 999 NZ LYS A 70 -5.044 11.793 5.891 1.00 0.00 N ATOM 0 H LYS A 70 -7.932 8.033 2.946 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.716 10.728 1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.018 8.301 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.617 9.995 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.943 8.506 3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.448 9.113 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.563 11.476 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.739 10.714 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.720 9.756 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.719 10.859 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.343 11.800 6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.023 12.706 5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.992 11.638 6.289 1.00 0.00 H new ATOM 1013 N THR A 71 -7.884 9.891 -0.731 1.00 0.00 N ATOM 1014 CA THR A 71 -8.352 9.565 -2.073 1.00 0.00 C ATOM 1015 C THR A 71 -7.395 8.558 -2.726 1.00 0.00 C ATOM 1016 O THR A 71 -6.277 8.364 -2.252 1.00 0.00 O ATOM 1017 CB THR A 71 -8.537 10.853 -2.906 1.00 0.00 C ATOM 1018 OG1 THR A 71 -7.380 11.675 -2.909 1.00 0.00 O ATOM 1019 CG2 THR A 71 -9.707 11.693 -2.388 1.00 0.00 C ATOM 0 H THR A 71 -7.185 10.633 -0.707 1.00 0.00 H new ATOM 0 HA THR A 71 -9.331 9.089 -2.020 1.00 0.00 H new ATOM 0 HB THR A 71 -8.735 10.511 -3.922 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.548 12.474 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.808 12.591 -2.997 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.627 11.111 -2.445 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.521 11.976 -1.352 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.793 7.960 -3.852 1.00 0.00 N ATOM 1028 CA HIS A 72 -6.964 7.105 -4.704 1.00 0.00 C ATOM 1029 C HIS A 72 -5.620 7.778 -5.000 1.00 0.00 C ATOM 1030 O HIS A 72 -4.566 7.156 -4.877 1.00 0.00 O ATOM 1031 CB HIS A 72 -7.761 6.789 -5.985 1.00 0.00 C ATOM 1032 CG HIS A 72 -6.957 6.411 -7.208 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -6.757 7.208 -8.316 1.00 0.00 N ATOM 1034 CD2 HIS A 72 -6.354 5.205 -7.455 1.00 0.00 C ATOM 1035 CE1 HIS A 72 -6.028 6.501 -9.197 1.00 0.00 C ATOM 1036 NE2 HIS A 72 -5.782 5.270 -8.729 1.00 0.00 N ATOM 0 H HIS A 72 -8.743 8.063 -4.210 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.728 6.169 -4.198 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.450 5.973 -5.765 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.367 7.660 -6.232 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -7.100 8.160 -8.444 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.326 4.358 -6.786 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.687 6.874 -10.151 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.641 9.073 -5.328 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.443 9.847 -5.645 1.00 0.00 C ATOM 1046 C ARG A 73 -3.414 9.845 -4.518 1.00 0.00 C ATOM 1047 O ARG A 73 -2.221 9.797 -4.808 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.846 11.294 -5.952 1.00 0.00 C ATOM 1049 CG ARG A 73 -5.718 11.443 -7.202 1.00 0.00 C ATOM 1050 CD ARG A 73 -4.963 11.031 -8.472 1.00 0.00 C ATOM 1051 NE ARG A 73 -5.484 11.749 -9.638 1.00 0.00 N ATOM 1052 CZ ARG A 73 -5.171 13.002 -9.980 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -4.250 13.712 -9.331 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -5.800 13.552 -11.002 1.00 0.00 N ATOM 0 H ARG A 73 -6.502 9.617 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.976 9.375 -6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.383 11.701 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.944 11.893 -6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.614 10.831 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.048 12.478 -7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.900 11.241 -8.354 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.060 9.956 -8.627 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.141 11.251 -10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.753 13.302 -8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.041 14.666 -9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.507 13.022 -11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.579 14.507 -11.283 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.857 9.855 -3.257 1.00 0.00 N ATOM 1069 CA TYR A 74 -2.968 9.768 -2.101 1.00 0.00 C ATOM 1070 C TYR A 74 -2.116 8.507 -2.215 1.00 0.00 C ATOM 1071 O TYR A 74 -0.910 8.536 -1.977 1.00 0.00 O ATOM 1072 CB TYR A 74 -3.799 9.752 -0.822 1.00 0.00 C ATOM 1073 CG TYR A 74 -3.022 9.784 0.481 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -2.551 8.585 1.049 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -2.903 10.988 1.200 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -1.981 8.592 2.333 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -2.297 11.009 2.467 1.00 0.00 C ATOM 1078 CZ TYR A 74 -1.838 9.803 3.044 1.00 0.00 C ATOM 1079 OH TYR A 74 -1.379 9.762 4.323 1.00 0.00 O ATOM 0 H TYR A 74 -4.845 9.924 -3.012 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.306 10.633 -2.070 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.473 10.608 -0.840 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.421 8.857 -0.828 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.628 7.660 0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.281 11.905 0.773 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.650 7.665 2.779 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.182 11.942 2.998 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.332 10.672 4.683 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.756 7.397 -2.587 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.119 6.103 -2.725 1.00 0.00 C ATOM 1091 C VAL A 75 -1.206 6.087 -3.948 1.00 0.00 C ATOM 1092 O VAL A 75 -0.132 5.510 -3.866 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.174 4.981 -2.801 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.469 3.656 -2.510 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.331 5.173 -1.806 1.00 0.00 C ATOM 0 H VAL A 75 -3.753 7.381 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.505 5.922 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.616 4.997 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.192 2.841 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.687 3.490 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.025 3.691 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.040 4.351 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.938 5.188 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.837 6.116 -2.014 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.577 6.710 -5.068 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.695 6.803 -6.233 1.00 0.00 C ATOM 1107 C ILE A 76 0.628 7.470 -5.841 1.00 0.00 C ATOM 1108 O ILE A 76 1.693 7.021 -6.270 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.417 7.514 -7.405 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -2.678 6.750 -7.873 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.492 7.738 -8.616 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -2.439 5.255 -8.108 1.00 0.00 C ATOM 0 H ILE A 76 -2.484 7.159 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.448 5.803 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.719 8.483 -7.006 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.463 6.871 -7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.043 7.200 -8.796 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.046 8.239 -9.409 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.354 8.357 -8.318 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.129 6.777 -8.979 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.367 4.785 -8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.677 5.125 -8.876 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.103 4.790 -7.181 1.00 0.00 H new ATOM 1124 N ASP A 77 0.576 8.510 -5.009 1.00 0.00 N ATOM 1125 CA ASP A 77 1.781 9.193 -4.552 1.00 0.00 C ATOM 1126 C ASP A 77 2.586 8.325 -3.579 1.00 0.00 C ATOM 1127 O ASP A 77 3.818 8.352 -3.605 1.00 0.00 O ATOM 1128 CB ASP A 77 1.396 10.529 -3.912 1.00 0.00 C ATOM 1129 CG ASP A 77 2.521 11.561 -4.006 1.00 0.00 C ATOM 1130 OD1 ASP A 77 3.158 11.652 -5.085 1.00 0.00 O ATOM 1131 OD2 ASP A 77 2.694 12.360 -3.053 1.00 0.00 O ATOM 0 H ASP A 77 -0.292 8.897 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 77 2.423 9.381 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.504 10.921 -4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.140 10.368 -2.865 1.00 0.00 H new ATOM 1136 N LEU A 78 1.903 7.505 -2.768 1.00 0.00 N ATOM 1137 CA LEU A 78 2.555 6.537 -1.887 1.00 0.00 C ATOM 1138 C LEU A 78 3.239 5.446 -2.700 1.00 0.00 C ATOM 1139 O LEU A 78 4.385 5.121 -2.414 1.00 0.00 O ATOM 1140 CB LEU A 78 1.563 5.860 -0.926 1.00 0.00 C ATOM 1141 CG LEU A 78 1.071 6.700 0.260 1.00 0.00 C ATOM 1142 CD1 LEU A 78 0.162 5.799 1.098 1.00 0.00 C ATOM 1143 CD2 LEU A 78 2.209 7.234 1.130 1.00 0.00 C ATOM 0 H LEU A 78 0.885 7.497 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 78 3.285 7.100 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.694 5.543 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.032 4.958 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 78 0.547 7.576 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.213 6.357 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.677 5.462 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.727 4.935 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.795 7.820 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.782 6.399 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.862 7.865 0.527 1.00 0.00 H new ATOM 1155 N MET A 79 2.574 4.867 -3.702 1.00 0.00 N ATOM 1156 CA MET A 79 3.150 3.821 -4.535 1.00 0.00 C ATOM 1157 C MET A 79 4.347 4.345 -5.319 1.00 0.00 C ATOM 1158 O MET A 79 5.306 3.600 -5.522 1.00 0.00 O ATOM 1159 CB MET A 79 2.105 3.254 -5.499 1.00 0.00 C ATOM 1160 CG MET A 79 0.969 2.515 -4.786 1.00 0.00 C ATOM 1161 SD MET A 79 1.420 1.192 -3.631 1.00 0.00 S ATOM 1162 CE MET A 79 2.384 0.097 -4.697 1.00 0.00 C ATOM 0 H MET A 79 1.618 5.115 -3.956 1.00 0.00 H new ATOM 0 HA MET A 79 3.488 3.022 -3.875 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.686 4.068 -6.091 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.594 2.572 -6.195 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.381 3.252 -4.239 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.317 2.088 -5.548 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.352 -0.918 -4.301 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.965 0.107 -5.703 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.418 0.440 -4.731 1.00 0.00 H new ATOM 1172 N HIS A 80 4.328 5.622 -5.716 1.00 0.00 N ATOM 1173 CA HIS A 80 5.502 6.276 -6.270 1.00 0.00 C ATOM 1174 C HIS A 80 6.681 6.159 -5.297 1.00 0.00 C ATOM 1175 O HIS A 80 7.786 5.847 -5.742 1.00 0.00 O ATOM 1176 CB HIS A 80 5.211 7.748 -6.598 1.00 0.00 C ATOM 1177 CG HIS A 80 5.070 8.062 -8.065 1.00 0.00 C ATOM 1178 ND1 HIS A 80 6.101 8.124 -8.977 1.00 0.00 N ATOM 1179 CD2 HIS A 80 3.922 8.444 -8.704 1.00 0.00 C ATOM 1180 CE1 HIS A 80 5.595 8.546 -10.145 1.00 0.00 C ATOM 1181 NE2 HIS A 80 4.267 8.752 -10.031 1.00 0.00 N ATOM 0 H HIS A 80 3.504 6.220 -5.660 1.00 0.00 H new ATOM 0 HA HIS A 80 5.767 5.775 -7.201 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.293 8.042 -6.090 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.013 8.361 -6.187 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.935 8.499 -8.270 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.168 8.699 -11.047 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.635 9.070 -10.766 1.00 0.00 H new ATOM 1189 N HIS A 81 6.464 6.407 -4.002 1.00 0.00 N ATOM 1190 CA HIS A 81 7.479 6.261 -2.966 1.00 0.00 C ATOM 1191 C HIS A 81 7.875 4.795 -2.774 1.00 0.00 C ATOM 1192 O HIS A 81 9.062 4.475 -2.797 1.00 0.00 O ATOM 1193 CB HIS A 81 6.982 6.865 -1.638 1.00 0.00 C ATOM 1194 CG HIS A 81 7.871 7.970 -1.148 1.00 0.00 C ATOM 1195 ND1 HIS A 81 9.243 7.911 -1.062 1.00 0.00 N ATOM 1196 CD2 HIS A 81 7.472 9.220 -0.762 1.00 0.00 C ATOM 1197 CE1 HIS A 81 9.671 9.122 -0.683 1.00 0.00 C ATOM 1198 NE2 HIS A 81 8.632 9.955 -0.491 1.00 0.00 N ATOM 0 H HIS A 81 5.562 6.720 -3.643 1.00 0.00 H new ATOM 0 HA HIS A 81 8.367 6.805 -3.289 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.970 7.248 -1.771 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.929 6.082 -0.882 1.00 0.00 H new ATOM 0 HD2 HIS A 81 6.455 9.573 -0.682 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.708 9.393 -0.550 1.00 0.00 H new ATOM 0 HE2 HIS A 81 8.680 10.933 -0.204 1.00 0.00 H new ATOM 1206 N ALA A 82 6.897 3.899 -2.622 1.00 0.00 N ATOM 1207 CA ALA A 82 7.098 2.472 -2.397 1.00 0.00 C ATOM 1208 C ALA A 82 7.997 1.877 -3.487 1.00 0.00 C ATOM 1209 O ALA A 82 8.916 1.099 -3.225 1.00 0.00 O ATOM 1210 CB ALA A 82 5.742 1.767 -2.356 1.00 0.00 C ATOM 0 H ALA A 82 5.911 4.159 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 82 7.598 2.325 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.891 0.700 -2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.141 2.181 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.226 1.916 -3.304 1.00 0.00 H new ATOM 1216 N ALA A 83 7.793 2.305 -4.734 1.00 0.00 N ATOM 1217 CA ALA A 83 8.602 1.880 -5.863 1.00 0.00 C ATOM 1218 C ALA A 83 10.092 2.235 -5.713 1.00 0.00 C ATOM 1219 O ALA A 83 10.930 1.575 -6.329 1.00 0.00 O ATOM 1220 CB ALA A 83 8.017 2.478 -7.142 1.00 0.00 C ATOM 0 H ALA A 83 7.054 2.962 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 83 8.568 0.791 -5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.617 2.166 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.992 2.130 -7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.024 3.566 -7.072 1.00 0.00 H new ATOM 1226 N ARG A 84 10.444 3.240 -4.907 1.00 0.00 N ATOM 1227 CA ARG A 84 11.830 3.603 -4.600 1.00 0.00 C ATOM 1228 C ARG A 84 12.303 2.912 -3.319 1.00 0.00 C ATOM 1229 O ARG A 84 13.479 2.544 -3.216 1.00 0.00 O ATOM 1230 CB ARG A 84 11.977 5.125 -4.467 1.00 0.00 C ATOM 1231 CG ARG A 84 11.208 5.932 -5.522 1.00 0.00 C ATOM 1232 CD ARG A 84 11.784 7.340 -5.621 1.00 0.00 C ATOM 1233 NE ARG A 84 11.008 8.206 -6.524 1.00 0.00 N ATOM 1234 CZ ARG A 84 11.487 9.303 -7.123 1.00 0.00 C ATOM 1235 NH1 ARG A 84 12.778 9.602 -7.078 1.00 0.00 N ATOM 1236 NH2 ARG A 84 10.668 10.114 -7.776 1.00 0.00 N ATOM 0 H ARG A 84 9.760 3.836 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 84 12.456 3.265 -5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.634 5.425 -3.477 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.034 5.382 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.272 5.435 -6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.152 5.980 -5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.811 7.788 -4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.814 7.284 -5.974 1.00 0.00 H new ATOM 0 HE ARG A 84 10.037 7.952 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.426 8.991 -6.580 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.123 10.443 -7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.671 9.903 -7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.034 10.950 -8.232 1.00 0.00 H new ATOM 1250 N ASN A 85 11.393 2.667 -2.367 1.00 0.00 N ATOM 1251 CA ASN A 85 11.633 1.765 -1.236 1.00 0.00 C ATOM 1252 C ASN A 85 11.996 0.366 -1.734 1.00 0.00 C ATOM 1253 O ASN A 85 12.686 -0.377 -1.045 1.00 0.00 O ATOM 1254 CB ASN A 85 10.407 1.679 -0.296 1.00 0.00 C ATOM 1255 CG ASN A 85 10.621 2.395 1.030 1.00 0.00 C ATOM 1256 OD1 ASN A 85 11.724 2.386 1.569 1.00 0.00 O ATOM 1257 ND2 ASN A 85 9.598 3.044 1.563 1.00 0.00 N ATOM 0 H ASN A 85 10.466 3.092 -2.361 1.00 0.00 H new ATOM 0 HA ASN A 85 12.467 2.178 -0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.540 2.109 -0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.177 0.631 -0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.717 3.551 2.440 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.691 3.037 1.097 1.00 0.00 H new ATOM 1264 N GLY A 86 11.570 -0.003 -2.943 1.00 0.00 N ATOM 1265 CA GLY A 86 11.913 -1.271 -3.570 1.00 0.00 C ATOM 1266 C GLY A 86 11.040 -2.416 -3.057 1.00 0.00 C ATOM 1267 O GLY A 86 11.263 -3.572 -3.411 1.00 0.00 O ATOM 0 H GLY A 86 10.967 0.584 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.799 -1.184 -4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.961 -1.499 -3.377 1.00 0.00 H new ATOM 1271 N GLN A 87 10.044 -2.129 -2.227 1.00 0.00 N ATOM 1272 CA GLN A 87 9.081 -3.067 -1.682 1.00 0.00 C ATOM 1273 C GLN A 87 7.784 -2.301 -1.457 1.00 0.00 C ATOM 1274 O GLN A 87 7.759 -1.080 -1.603 1.00 0.00 O ATOM 1275 CB GLN A 87 9.603 -3.682 -0.373 1.00 0.00 C ATOM 1276 CG GLN A 87 9.919 -2.640 0.712 1.00 0.00 C ATOM 1277 CD GLN A 87 10.225 -3.295 2.056 1.00 0.00 C ATOM 1278 OE1 GLN A 87 9.459 -4.100 2.573 1.00 0.00 O ATOM 1279 NE2 GLN A 87 11.380 -3.036 2.635 1.00 0.00 N ATOM 0 H GLN A 87 9.881 -1.177 -1.899 1.00 0.00 H new ATOM 0 HA GLN A 87 8.913 -3.895 -2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.861 -4.381 0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.504 -4.258 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.771 -2.037 0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.072 -1.962 0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.024 -2.368 2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.630 -3.504 3.506 1.00 0.00 H new ATOM 1288 N VAL A 88 6.725 -3.001 -1.073 1.00 0.00 N ATOM 1289 CA VAL A 88 5.592 -2.361 -0.441 1.00 0.00 C ATOM 1290 C VAL A 88 5.022 -3.348 0.562 1.00 0.00 C ATOM 1291 O VAL A 88 5.035 -4.563 0.335 1.00 0.00 O ATOM 1292 CB VAL A 88 4.580 -1.891 -1.510 1.00 0.00 C ATOM 1293 CG1 VAL A 88 3.893 -3.046 -2.253 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.538 -0.952 -0.897 1.00 0.00 C ATOM 0 H VAL A 88 6.632 -4.010 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 88 5.876 -1.456 0.096 1.00 0.00 H new ATOM 0 HB VAL A 88 5.160 -1.348 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.196 -2.643 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.645 -3.651 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.349 -3.665 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.836 -0.634 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.997 -1.474 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.037 -0.078 -0.478 1.00 0.00 H new ATOM 1304 N ASN A 89 4.480 -2.810 1.644 1.00 0.00 N ATOM 1305 CA ASN A 89 3.719 -3.541 2.635 1.00 0.00 C ATOM 1306 C ASN A 89 2.316 -2.975 2.572 1.00 0.00 C ATOM 1307 O ASN A 89 2.100 -1.796 2.846 1.00 0.00 O ATOM 1308 CB ASN A 89 4.391 -3.416 4.003 1.00 0.00 C ATOM 1309 CG ASN A 89 5.284 -4.630 4.207 1.00 0.00 C ATOM 1310 OD1 ASN A 89 4.791 -5.740 4.359 1.00 0.00 O ATOM 1311 ND2 ASN A 89 6.592 -4.472 4.126 1.00 0.00 N ATOM 0 H ASN A 89 4.563 -1.817 1.860 1.00 0.00 H new ATOM 0 HA ASN A 89 3.676 -4.614 2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.978 -2.499 4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.640 -3.360 4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.208 -5.282 4.190 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.986 -3.540 3.999 1.00 0.00 H new ATOM 1318 N LEU A 90 1.396 -3.774 2.046 1.00 0.00 N ATOM 1319 CA LEU A 90 -0.019 -3.468 1.899 1.00 0.00 C ATOM 1320 C LEU A 90 -0.672 -4.172 3.079 1.00 0.00 C ATOM 1321 O LEU A 90 -0.272 -5.288 3.422 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.548 -4.032 0.555 1.00 0.00 C ATOM 1323 CG LEU A 90 0.308 -3.652 -0.662 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -0.132 -4.466 -1.871 1.00 0.00 C ATOM 1325 CD2 LEU A 90 0.194 -2.162 -0.973 1.00 0.00 C ATOM 0 H LEU A 90 1.631 -4.701 1.692 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.227 -2.398 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.601 -5.119 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.565 -3.673 0.397 1.00 0.00 H new ATOM 0 HG LEU A 90 1.350 -3.872 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.477 -4.195 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.008 -5.528 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.180 -4.259 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.811 -1.923 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.845 -1.914 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.535 -1.584 -0.114 1.00 0.00 H new ATOM 1337 N THR A 91 -1.662 -3.556 3.702 1.00 0.00 N ATOM 1338 CA THR A 91 -2.521 -4.230 4.652 1.00 0.00 C ATOM 1339 C THR A 91 -3.916 -4.092 4.071 1.00 0.00 C ATOM 1340 O THR A 91 -4.394 -2.968 3.924 1.00 0.00 O ATOM 1341 CB THR A 91 -2.369 -3.626 6.053 1.00 0.00 C ATOM 1342 OG1 THR A 91 -1.038 -3.731 6.522 1.00 0.00 O ATOM 1343 CG2 THR A 91 -3.261 -4.344 7.056 1.00 0.00 C ATOM 0 H THR A 91 -1.891 -2.572 3.561 1.00 0.00 H new ATOM 0 HA THR A 91 -2.270 -5.282 4.791 1.00 0.00 H new ATOM 0 HB THR A 91 -2.654 -2.577 5.968 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.974 -3.335 7.416 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.134 -3.896 8.042 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.302 -4.253 6.747 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.986 -5.398 7.098 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.531 -5.209 3.688 1.00 0.00 N ATOM 1352 CA VAL A 92 -5.931 -5.251 3.284 1.00 0.00 C ATOM 1353 C VAL A 92 -6.757 -5.756 4.469 1.00 0.00 C ATOM 1354 O VAL A 92 -6.197 -6.213 5.461 1.00 0.00 O ATOM 1355 CB VAL A 92 -6.123 -6.098 2.003 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.402 -5.504 0.786 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -5.670 -7.552 2.144 1.00 0.00 C ATOM 0 H VAL A 92 -4.066 -6.116 3.650 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.280 -4.253 3.021 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.202 -6.078 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.571 -6.139 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.789 -4.505 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.333 -5.445 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.838 -8.078 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.609 -7.580 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.240 -8.036 2.937 1.00 0.00 H new ATOM 1367 N ARG A 93 -8.084 -5.717 4.401 1.00 0.00 N ATOM 1368 CA ARG A 93 -8.968 -6.342 5.381 1.00 0.00 C ATOM 1369 C ARG A 93 -10.240 -6.789 4.692 1.00 0.00 C ATOM 1370 O ARG A 93 -10.555 -6.300 3.605 1.00 0.00 O ATOM 1371 CB ARG A 93 -9.252 -5.370 6.534 1.00 0.00 C ATOM 1372 CG ARG A 93 -10.165 -4.196 6.190 1.00 0.00 C ATOM 1373 CD ARG A 93 -10.397 -3.279 7.388 1.00 0.00 C ATOM 1374 NE ARG A 93 -10.719 -1.892 7.011 1.00 0.00 N ATOM 1375 CZ ARG A 93 -10.475 -0.832 7.796 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -10.001 -1.016 9.028 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -10.697 0.404 7.366 1.00 0.00 N ATOM 0 H ARG A 93 -8.585 -5.242 3.650 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.487 -7.220 5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.700 -5.929 7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.303 -4.976 6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.725 -3.622 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.123 -4.575 5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.210 -3.681 7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.505 -3.279 8.014 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.152 -1.728 6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.825 -1.960 9.371 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.814 -0.212 9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.059 0.559 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.506 1.198 7.977 1.00 0.00 H new ATOM 1391 N ARG A 94 -10.990 -7.688 5.334 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.268 -8.168 4.813 1.00 0.00 C ATOM 1393 C ARG A 94 -13.143 -8.658 5.964 1.00 0.00 C ATOM 1394 O ARG A 94 -12.745 -9.531 6.743 1.00 0.00 O ATOM 1395 CB ARG A 94 -12.006 -9.250 3.742 1.00 0.00 C ATOM 1396 CG ARG A 94 -12.260 -8.727 2.311 1.00 0.00 C ATOM 1397 CD ARG A 94 -11.594 -9.648 1.270 1.00 0.00 C ATOM 1398 NE ARG A 94 -12.370 -9.725 0.018 1.00 0.00 N ATOM 1399 CZ ARG A 94 -12.008 -10.308 -1.133 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -10.808 -10.843 -1.294 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -12.859 -10.347 -2.152 1.00 0.00 N ATOM 0 H ARG A 94 -10.727 -8.102 6.228 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.817 -7.361 4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.976 -9.597 3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.648 -10.110 3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.332 -8.673 2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.867 -7.715 2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.591 -9.282 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.484 -10.648 1.689 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.289 -9.283 0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.132 -10.818 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.559 -11.280 -2.181 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.787 -9.934 -2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.585 -10.790 -3.029 1.00 0.00 H new ATOM 1415 N LYS A 95 -14.324 -8.054 6.130 1.00 0.00 N ATOM 1416 CA LYS A 95 -15.321 -8.407 7.140 1.00 0.00 C ATOM 1417 C LYS A 95 -15.838 -9.818 6.898 1.00 0.00 C ATOM 1418 O LYS A 95 -15.912 -10.252 5.751 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.424 -7.334 7.059 1.00 0.00 C ATOM 1420 CG LYS A 95 -17.221 -6.991 8.324 1.00 0.00 C ATOM 1421 CD LYS A 95 -18.281 -8.024 8.723 1.00 0.00 C ATOM 1422 CE LYS A 95 -19.328 -7.452 9.690 1.00 0.00 C ATOM 1423 NZ LYS A 95 -20.347 -6.607 9.030 1.00 0.00 N ATOM 0 H LYS A 95 -14.621 -7.276 5.541 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.904 -8.419 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -15.962 -6.414 6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.136 -7.651 6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.523 -6.870 9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.711 -6.029 8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.781 -8.390 7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.792 -8.880 9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.827 -8.276 10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -18.821 -6.864 10.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.020 -6.255 9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -19.882 -5.801 8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.857 -7.169 8.319 1.00 0.00 H new