USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 558 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 67 CYS SG : rot 40:sc= 0.811 USER MOD Set 1.2: A 70 CYS SG : rot -33:sc= -2.08 USER MOD Set 1.3: A 83 HIS : no HD1:sc= -1.49 X(o=-3,f=-3.2) USER MOD Set 1.4: A 87 HIS : no HD1:sc= -0.256 K(o=-3,f=-3.9) USER MOD Set 2.1: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 74 SER OG : rot 156:sc= 0.304 USER MOD Set 2.3: A 79 GLN : amide:sc= 0.223 K(o=0.53,f=-2.2!) USER MOD Set 3.1: A 76 ASN : amide:sc=-6.17e-05 K(o=-0.073,f=-3.7!) USER MOD Set 3.2: A 78 SER OG : rot 180:sc= -0.0725 USER MOD Set 4.1: A 39 CYS SG : rot -158:sc= 0.409 USER MOD Set 4.2: A 42 CYS SG : rot 180:sc= -1.37! USER MOD Set 4.3: A 55 HIS : no HD1:sc= -0.339 K(o=-1.7,f=-3.1) USER MOD Set 4.4: A 59 HIS :FLIP+bothHN:sc= -0.373 F(o=-2.9,f=-1.7) USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 49 SER OG : rot 76:sc= 0.29 USER MOD Set 6.1: A 11 CYS SG : rot 15:sc= -1.38 USER MOD Set 6.2: A 14 CYS SG : rot -71:sc= 0.563 USER MOD Set 6.3: A 27 HIS : no HD1:sc= -6.27! C(o=-12!,f=-17!) USER MOD Set 6.4: A 28 MET CE :methyl 145:sc= -1.28 (180deg=-3.41!) USER MOD Set 6.5: A 31 HIS :FLIP no HD1:sc= -3.46! C(o=-14!,f=-12!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.0358 (180deg=-0.281) USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= -0.0101 (180deg=-0.152) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00158 USER MOD Single : A 51 SER OG : rot 80:sc= 0.0927 USER MOD Single : A 53 ASN : amide:sc= -0.398 K(o=-0.4,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc=-0.00463 (180deg=-0.117) USER MOD Single : A 68 GLN : amide:sc=-0.00104 X(o=-0.001,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 -0.878 1.397 -6.370 1.00 0.00 N ATOM 81 CA HIS A 9 -0.311 0.053 -6.332 1.00 0.00 C ATOM 82 C HIS A 9 -0.679 -0.656 -5.032 1.00 0.00 C ATOM 83 O HIS A 9 -0.357 -0.183 -3.942 1.00 0.00 O ATOM 84 CB HIS A 9 1.210 0.115 -6.480 1.00 0.00 C ATOM 85 CG HIS A 9 1.662 0.514 -7.851 1.00 0.00 C ATOM 86 ND1 HIS A 9 1.911 -0.397 -8.856 1.00 0.00 N ATOM 87 CD2 HIS A 9 1.910 1.734 -8.382 1.00 0.00 C ATOM 88 CE1 HIS A 9 2.293 0.246 -9.945 1.00 0.00 C ATOM 89 NE2 HIS A 9 2.300 1.541 -9.684 1.00 0.00 N ATOM 0 HA HIS A 9 -0.727 -0.514 -7.164 1.00 0.00 H new ATOM 0 HB2 HIS A 9 1.609 0.824 -5.754 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.631 -0.861 -6.237 1.00 0.00 H new ATOM 0 HD2 HIS A 9 1.818 2.683 -7.875 1.00 0.00 H new ATOM 0 HE1 HIS A 9 2.555 -0.210 -10.888 1.00 0.00 H new ATOM 0 HE2 HIS A 9 2.554 2.277 -10.343 1.00 0.00 H new ATOM 97 N LYS A 10 -1.356 -1.792 -5.155 1.00 0.00 N ATOM 98 CA LYS A 10 -1.769 -2.568 -3.991 1.00 0.00 C ATOM 99 C LYS A 10 -1.320 -4.020 -4.119 1.00 0.00 C ATOM 100 O LYS A 10 -1.805 -4.757 -4.978 1.00 0.00 O ATOM 101 CB LYS A 10 -3.288 -2.505 -3.823 1.00 0.00 C ATOM 102 CG LYS A 10 -3.823 -3.454 -2.765 1.00 0.00 C ATOM 103 CD LYS A 10 -5.324 -3.299 -2.583 1.00 0.00 C ATOM 104 CE LYS A 10 -5.780 -3.831 -1.234 1.00 0.00 C ATOM 105 NZ LYS A 10 -7.206 -3.500 -0.960 1.00 0.00 N ATOM 0 H LYS A 10 -1.631 -2.197 -6.050 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.295 -2.136 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.574 -1.486 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.761 -2.735 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.594 -4.482 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.319 -3.265 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.595 -2.247 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.845 -3.830 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.646 -4.912 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.152 -3.412 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.478 -3.880 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.329 -2.467 -0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.808 -3.921 -1.696 1.00 0.00 H new ATOM 119 N CYS A 11 -0.393 -4.426 -3.258 1.00 0.00 N ATOM 120 CA CYS A 11 0.120 -5.790 -3.273 1.00 0.00 C ATOM 121 C CYS A 11 -1.017 -6.801 -3.147 1.00 0.00 C ATOM 122 O CYS A 11 -1.735 -6.819 -2.148 1.00 0.00 O ATOM 123 CB CYS A 11 1.124 -5.992 -2.136 1.00 0.00 C ATOM 124 SG CYS A 11 2.420 -7.221 -2.498 1.00 0.00 S ATOM 0 H CYS A 11 0.018 -3.829 -2.541 1.00 0.00 H new ATOM 0 HA CYS A 11 0.623 -5.952 -4.227 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.597 -5.037 -1.910 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.585 -6.301 -1.240 1.00 0.00 H new ATOM 0 HG CYS A 11 2.436 -7.472 -3.774 1.00 0.00 H new ATOM 129 N GLU A 12 -1.172 -7.638 -4.167 1.00 0.00 N ATOM 130 CA GLU A 12 -2.222 -8.651 -4.171 1.00 0.00 C ATOM 131 C GLU A 12 -1.704 -9.974 -3.613 1.00 0.00 C ATOM 132 O GLU A 12 -2.405 -10.667 -2.877 1.00 0.00 O ATOM 133 CB GLU A 12 -2.758 -8.857 -5.589 1.00 0.00 C ATOM 134 CG GLU A 12 -1.689 -9.264 -6.590 1.00 0.00 C ATOM 135 CD GLU A 12 -0.880 -8.083 -7.091 1.00 0.00 C ATOM 136 OE1 GLU A 12 -1.490 -7.103 -7.566 1.00 0.00 O ATOM 137 OE2 GLU A 12 0.365 -8.140 -7.006 1.00 0.00 O ATOM 0 H GLU A 12 -0.585 -7.635 -5.001 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.032 -8.300 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.534 -9.622 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.229 -7.934 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.019 -9.988 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.160 -9.762 -7.437 1.00 0.00 H new ATOM 144 N VAL A 13 -0.470 -10.317 -3.971 1.00 0.00 N ATOM 145 CA VAL A 13 0.143 -11.556 -3.507 1.00 0.00 C ATOM 146 C VAL A 13 -0.101 -11.765 -2.017 1.00 0.00 C ATOM 147 O VAL A 13 -0.387 -12.878 -1.573 1.00 0.00 O ATOM 148 CB VAL A 13 1.660 -11.565 -3.774 1.00 0.00 C ATOM 149 CG1 VAL A 13 1.941 -11.822 -5.247 1.00 0.00 C ATOM 150 CG2 VAL A 13 2.288 -10.255 -3.323 1.00 0.00 C ATOM 0 H VAL A 13 0.124 -9.755 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.322 -12.368 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 13 2.109 -12.374 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.018 -11.825 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.526 -12.788 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.481 -11.037 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.360 -10.279 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.837 -9.428 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.118 -10.118 -2.255 1.00 0.00 H new ATOM 160 N CYS A 14 0.015 -10.688 -1.247 1.00 0.00 N ATOM 161 CA CYS A 14 -0.193 -10.752 0.195 1.00 0.00 C ATOM 162 C CYS A 14 -1.449 -9.985 0.598 1.00 0.00 C ATOM 163 O CYS A 14 -2.142 -10.361 1.542 1.00 0.00 O ATOM 164 CB CYS A 14 1.022 -10.186 0.932 1.00 0.00 C ATOM 165 SG CYS A 14 1.289 -8.404 0.666 1.00 0.00 S ATOM 0 H CYS A 14 0.252 -9.760 -1.598 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.323 -11.798 0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.904 -10.369 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.912 -10.728 0.612 1.00 0.00 H new ATOM 0 HG CYS A 14 1.700 -8.204 -0.551 1.00 0.00 H new ATOM 170 N GLY A 15 -1.736 -8.907 -0.126 1.00 0.00 N ATOM 171 CA GLY A 15 -2.908 -8.105 0.171 1.00 0.00 C ATOM 172 C GLY A 15 -2.570 -6.857 0.963 1.00 0.00 C ATOM 173 O GLY A 15 -3.349 -6.422 1.812 1.00 0.00 O ATOM 0 H GLY A 15 -1.178 -8.575 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.395 -7.819 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.623 -8.706 0.733 1.00 0.00 H new ATOM 177 N LYS A 16 -1.405 -6.281 0.688 1.00 0.00 N ATOM 178 CA LYS A 16 -0.965 -5.076 1.381 1.00 0.00 C ATOM 179 C LYS A 16 -1.039 -3.861 0.462 1.00 0.00 C ATOM 180 O LYS A 16 -1.165 -3.999 -0.756 1.00 0.00 O ATOM 181 CB LYS A 16 0.466 -5.253 1.896 1.00 0.00 C ATOM 182 CG LYS A 16 0.566 -6.148 3.119 1.00 0.00 C ATOM 183 CD LYS A 16 0.354 -5.364 4.403 1.00 0.00 C ATOM 184 CE LYS A 16 0.345 -6.278 5.619 1.00 0.00 C ATOM 185 NZ LYS A 16 0.066 -5.528 6.874 1.00 0.00 N ATOM 0 H LYS A 16 -0.748 -6.629 -0.010 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.632 -4.910 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.081 -5.671 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.880 -4.274 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.176 -6.943 3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.545 -6.627 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.144 -4.620 4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.590 -4.821 4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.409 -7.054 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.309 -6.781 5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.068 -6.186 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.799 -4.804 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.865 -5.069 6.805 1.00 0.00 H new ATOM 199 N CYS A 17 -0.959 -2.673 1.051 1.00 0.00 N ATOM 200 CA CYS A 17 -1.016 -1.434 0.284 1.00 0.00 C ATOM 201 C CYS A 17 0.112 -0.491 0.689 1.00 0.00 C ATOM 202 O CYS A 17 0.539 -0.477 1.843 1.00 0.00 O ATOM 203 CB CYS A 17 -2.368 -0.748 0.485 1.00 0.00 C ATOM 204 SG CYS A 17 -2.757 -0.374 2.211 1.00 0.00 S ATOM 0 H CYS A 17 -0.854 -2.542 2.057 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.896 -1.682 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.382 0.179 -0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.152 -1.387 0.077 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.918 0.207 2.278 1.00 0.00 H new ATOM 210 N PHE A 18 0.592 0.295 -0.269 1.00 0.00 N ATOM 211 CA PHE A 18 1.673 1.239 -0.013 1.00 0.00 C ATOM 212 C PHE A 18 1.505 2.500 -0.857 1.00 0.00 C ATOM 213 O PHE A 18 0.877 2.473 -1.915 1.00 0.00 O ATOM 214 CB PHE A 18 3.027 0.591 -0.310 1.00 0.00 C ATOM 215 CG PHE A 18 3.331 -0.589 0.568 1.00 0.00 C ATOM 216 CD1 PHE A 18 3.878 -0.409 1.828 1.00 0.00 C ATOM 217 CD2 PHE A 18 3.071 -1.879 0.133 1.00 0.00 C ATOM 218 CE1 PHE A 18 4.160 -1.493 2.638 1.00 0.00 C ATOM 219 CE2 PHE A 18 3.350 -2.967 0.939 1.00 0.00 C ATOM 220 CZ PHE A 18 3.894 -2.774 2.193 1.00 0.00 C ATOM 0 H PHE A 18 0.249 0.297 -1.230 1.00 0.00 H new ATOM 0 HA PHE A 18 1.635 1.519 1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.048 0.273 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.813 1.337 -0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.087 0.590 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.645 -2.036 -0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.588 -1.339 3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.143 -3.967 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.111 -3.622 2.825 1.00 0.00 H new ATOM 230 N SER A 19 2.071 3.604 -0.379 1.00 0.00 N ATOM 231 CA SER A 19 1.981 4.876 -1.086 1.00 0.00 C ATOM 232 C SER A 19 3.254 5.148 -1.880 1.00 0.00 C ATOM 233 O SER A 19 3.200 5.557 -3.040 1.00 0.00 O ATOM 234 CB SER A 19 1.730 6.016 -0.097 1.00 0.00 C ATOM 235 OG SER A 19 0.374 6.047 0.313 1.00 0.00 O ATOM 0 H SER A 19 2.596 3.643 0.494 1.00 0.00 H new ATOM 0 HA SER A 19 1.145 4.818 -1.783 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.374 5.894 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.995 6.967 -0.559 1.00 0.00 H new ATOM 0 HG SER A 19 0.240 6.783 0.946 1.00 0.00 H new ATOM 241 N ARG A 20 4.400 4.917 -1.247 1.00 0.00 N ATOM 242 CA ARG A 20 5.688 5.138 -1.894 1.00 0.00 C ATOM 243 C ARG A 20 5.922 4.116 -3.002 1.00 0.00 C ATOM 244 O ARG A 20 5.484 2.969 -2.907 1.00 0.00 O ATOM 245 CB ARG A 20 6.818 5.059 -0.866 1.00 0.00 C ATOM 246 CG ARG A 20 6.837 6.226 0.109 1.00 0.00 C ATOM 247 CD ARG A 20 7.564 7.427 -0.475 1.00 0.00 C ATOM 248 NE ARG A 20 7.924 8.402 0.552 1.00 0.00 N ATOM 249 CZ ARG A 20 7.095 9.340 0.997 1.00 0.00 C ATOM 250 NH1 ARG A 20 5.866 9.430 0.507 1.00 0.00 N ATOM 251 NH2 ARG A 20 7.496 10.190 1.933 1.00 0.00 N ATOM 0 H ARG A 20 4.463 4.577 -0.287 1.00 0.00 H new ATOM 0 HA ARG A 20 5.678 6.133 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.723 4.129 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.773 5.019 -1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.815 6.506 0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.323 5.920 1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.465 7.091 -0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.931 7.905 -1.223 1.00 0.00 H new ATOM 0 HE ARG A 20 8.863 8.360 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.555 8.778 -0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.232 10.151 0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.441 10.124 2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.859 10.910 2.275 1.00 0.00 H new ATOM 265 N LYS A 21 6.616 4.539 -4.053 1.00 0.00 N ATOM 266 CA LYS A 21 6.910 3.662 -5.181 1.00 0.00 C ATOM 267 C LYS A 21 8.147 2.814 -4.902 1.00 0.00 C ATOM 268 O LYS A 21 8.375 1.799 -5.559 1.00 0.00 O ATOM 269 CB LYS A 21 7.119 4.486 -6.453 1.00 0.00 C ATOM 270 CG LYS A 21 8.361 5.360 -6.415 1.00 0.00 C ATOM 271 CD LYS A 21 8.028 6.785 -6.005 1.00 0.00 C ATOM 272 CE LYS A 21 9.164 7.418 -5.217 1.00 0.00 C ATOM 273 NZ LYS A 21 10.187 8.028 -6.111 1.00 0.00 N ATOM 0 H LYS A 21 6.986 5.485 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 21 6.059 2.996 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.186 3.811 -7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.245 5.118 -6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.082 4.938 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.834 5.364 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.823 7.382 -6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.120 6.789 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.762 8.181 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.635 6.662 -4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.944 8.449 -5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.589 7.295 -6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.743 8.767 -6.693 1.00 0.00 H new ATOM 287 N ASP A 22 8.939 3.236 -3.923 1.00 0.00 N ATOM 288 CA ASP A 22 10.152 2.514 -3.556 1.00 0.00 C ATOM 289 C ASP A 22 9.854 1.456 -2.498 1.00 0.00 C ATOM 290 O ASP A 22 10.213 0.289 -2.653 1.00 0.00 O ATOM 291 CB ASP A 22 11.213 3.486 -3.039 1.00 0.00 C ATOM 292 CG ASP A 22 12.265 2.798 -2.191 1.00 0.00 C ATOM 293 OD1 ASP A 22 12.978 1.922 -2.724 1.00 0.00 O ATOM 294 OD2 ASP A 22 12.375 3.136 -0.994 1.00 0.00 O ATOM 0 H ASP A 22 8.763 4.074 -3.369 1.00 0.00 H new ATOM 0 HA ASP A 22 10.532 2.015 -4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.696 3.976 -3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.731 4.267 -2.451 1.00 0.00 H new ATOM 299 N LYS A 23 9.198 1.873 -1.420 1.00 0.00 N ATOM 300 CA LYS A 23 8.852 0.963 -0.335 1.00 0.00 C ATOM 301 C LYS A 23 8.259 -0.333 -0.880 1.00 0.00 C ATOM 302 O LYS A 23 8.461 -1.407 -0.312 1.00 0.00 O ATOM 303 CB LYS A 23 7.858 1.629 0.620 1.00 0.00 C ATOM 304 CG LYS A 23 8.501 2.626 1.568 1.00 0.00 C ATOM 305 CD LYS A 23 8.971 1.956 2.848 1.00 0.00 C ATOM 306 CE LYS A 23 10.341 1.318 2.672 1.00 0.00 C ATOM 307 NZ LYS A 23 11.009 1.070 3.980 1.00 0.00 N ATOM 0 H LYS A 23 8.895 2.836 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 23 9.765 0.724 0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.091 2.138 0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.355 0.858 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.347 3.104 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.786 3.413 1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.011 2.692 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.250 1.196 3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.237 0.376 2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.968 1.967 2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.939 0.635 3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.132 1.972 4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.423 0.430 4.553 1.00 0.00 H new ATOM 321 N LEU A 24 7.527 -0.225 -1.983 1.00 0.00 N ATOM 322 CA LEU A 24 6.906 -1.389 -2.606 1.00 0.00 C ATOM 323 C LEU A 24 7.930 -2.192 -3.402 1.00 0.00 C ATOM 324 O LEU A 24 7.982 -3.419 -3.307 1.00 0.00 O ATOM 325 CB LEU A 24 5.761 -0.951 -3.522 1.00 0.00 C ATOM 326 CG LEU A 24 5.020 -2.072 -4.252 1.00 0.00 C ATOM 327 CD1 LEU A 24 4.107 -2.821 -3.293 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.225 -1.512 -5.421 1.00 0.00 C ATOM 0 H LEU A 24 7.349 0.656 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 24 6.508 -2.025 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.039 -0.393 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.161 -0.262 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 24 5.756 -2.774 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.588 -3.615 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.701 -3.255 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.377 -2.130 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.704 -2.324 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.498 -0.788 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.902 -1.022 -6.120 1.00 0.00 H new ATOM 340 N LYS A 25 8.745 -1.493 -4.184 1.00 0.00 N ATOM 341 CA LYS A 25 9.771 -2.139 -4.994 1.00 0.00 C ATOM 342 C LYS A 25 10.351 -3.351 -4.271 1.00 0.00 C ATOM 343 O LYS A 25 10.390 -4.453 -4.818 1.00 0.00 O ATOM 344 CB LYS A 25 10.887 -1.147 -5.326 1.00 0.00 C ATOM 345 CG LYS A 25 10.518 -0.160 -6.421 1.00 0.00 C ATOM 346 CD LYS A 25 10.833 -0.714 -7.800 1.00 0.00 C ATOM 347 CE LYS A 25 12.317 -0.614 -8.116 1.00 0.00 C ATOM 348 NZ LYS A 25 12.715 -1.539 -9.213 1.00 0.00 N ATOM 0 H LYS A 25 8.715 -0.477 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 25 9.308 -2.478 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.151 -0.594 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.775 -1.701 -5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.456 0.076 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.061 0.773 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.518 -1.756 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.262 -0.168 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.560 0.410 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.895 -0.843 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.734 -1.440 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.507 -2.519 -8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.182 -1.305 -10.075 1.00 0.00 H new ATOM 362 N THR A 26 10.800 -3.139 -3.038 1.00 0.00 N ATOM 363 CA THR A 26 11.378 -4.214 -2.241 1.00 0.00 C ATOM 364 C THR A 26 10.291 -5.090 -1.628 1.00 0.00 C ATOM 365 O THR A 26 10.337 -6.316 -1.730 1.00 0.00 O ATOM 366 CB THR A 26 12.270 -3.660 -1.114 1.00 0.00 C ATOM 367 OG1 THR A 26 13.397 -2.975 -1.673 1.00 0.00 O ATOM 368 CG2 THR A 26 12.752 -4.780 -0.204 1.00 0.00 C ATOM 0 H THR A 26 10.775 -2.233 -2.570 1.00 0.00 H new ATOM 0 HA THR A 26 11.988 -4.815 -2.916 1.00 0.00 H new ATOM 0 HB THR A 26 11.677 -2.962 -0.522 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.958 -2.624 -0.950 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.380 -4.364 0.584 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.893 -5.281 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.329 -5.499 -0.786 1.00 0.00 H new ATOM 376 N HIS A 27 9.313 -4.453 -0.992 1.00 0.00 N ATOM 377 CA HIS A 27 8.212 -5.175 -0.364 1.00 0.00 C ATOM 378 C HIS A 27 7.898 -6.458 -1.127 1.00 0.00 C ATOM 379 O HIS A 27 7.582 -7.486 -0.528 1.00 0.00 O ATOM 380 CB HIS A 27 6.966 -4.291 -0.296 1.00 0.00 C ATOM 381 CG HIS A 27 5.751 -5.006 0.208 1.00 0.00 C ATOM 382 ND1 HIS A 27 5.413 -5.066 1.543 1.00 0.00 N ATOM 383 CD2 HIS A 27 4.790 -5.692 -0.453 1.00 0.00 C ATOM 384 CE1 HIS A 27 4.297 -5.760 1.682 1.00 0.00 C ATOM 385 NE2 HIS A 27 3.898 -6.151 0.485 1.00 0.00 N ATOM 0 H HIS A 27 9.260 -3.439 -0.898 1.00 0.00 H new ATOM 0 HA HIS A 27 8.516 -5.440 0.649 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.170 -3.438 0.352 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.758 -3.894 -1.289 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.735 -5.849 -1.520 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.796 -5.971 2.615 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.063 -6.704 0.289 1.00 0.00 H new ATOM 393 N MET A 28 7.988 -6.390 -2.451 1.00 0.00 N ATOM 394 CA MET A 28 7.714 -7.547 -3.296 1.00 0.00 C ATOM 395 C MET A 28 8.388 -8.798 -2.740 1.00 0.00 C ATOM 396 O MET A 28 7.753 -9.841 -2.588 1.00 0.00 O ATOM 397 CB MET A 28 8.193 -7.287 -4.725 1.00 0.00 C ATOM 398 CG MET A 28 7.406 -6.203 -5.443 1.00 0.00 C ATOM 399 SD MET A 28 5.973 -6.854 -6.323 1.00 0.00 S ATOM 400 CE MET A 28 4.841 -7.140 -4.965 1.00 0.00 C ATOM 0 H MET A 28 8.248 -5.547 -2.962 1.00 0.00 H new ATOM 0 HA MET A 28 6.636 -7.711 -3.307 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.245 -7.004 -4.701 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.125 -8.213 -5.296 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.075 -5.459 -4.718 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.060 -5.692 -6.149 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.822 -6.935 -5.292 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.916 -8.178 -4.641 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.095 -6.481 -4.134 1.00 0.00 H new ATOM 410 N ARG A 29 9.678 -8.685 -2.440 1.00 0.00 N ATOM 411 CA ARG A 29 10.438 -9.807 -1.903 1.00 0.00 C ATOM 412 C ARG A 29 10.026 -11.114 -2.574 1.00 0.00 C ATOM 413 O ARG A 29 9.809 -12.125 -1.906 1.00 0.00 O ATOM 414 CB ARG A 29 10.234 -9.912 -0.390 1.00 0.00 C ATOM 415 CG ARG A 29 10.609 -8.647 0.364 1.00 0.00 C ATOM 416 CD ARG A 29 12.114 -8.540 0.559 1.00 0.00 C ATOM 417 NE ARG A 29 12.616 -9.540 1.498 1.00 0.00 N ATOM 418 CZ ARG A 29 13.774 -9.429 2.140 1.00 0.00 C ATOM 419 NH1 ARG A 29 14.545 -8.368 1.944 1.00 0.00 N ATOM 420 NH2 ARG A 29 14.163 -10.380 2.979 1.00 0.00 N ATOM 0 H ARG A 29 10.218 -7.828 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 29 11.494 -9.630 -2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.189 -10.149 -0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.829 -10.742 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.249 -7.776 -0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.114 -8.641 1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.614 -8.662 -0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.363 -7.543 0.923 1.00 0.00 H new ATOM 0 HE ARG A 29 12.047 -10.369 1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.249 -7.635 1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.434 -8.285 2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.573 -11.198 3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.052 -10.293 3.471 1.00 0.00 H new ATOM 434 N CYS A 30 9.921 -11.085 -3.898 1.00 0.00 N ATOM 435 CA CYS A 30 9.534 -12.267 -4.660 1.00 0.00 C ATOM 436 C CYS A 30 8.515 -13.100 -3.890 1.00 0.00 C ATOM 437 O CYS A 30 8.702 -14.301 -3.690 1.00 0.00 O ATOM 438 CB CYS A 30 10.764 -13.116 -4.985 1.00 0.00 C ATOM 439 SG CYS A 30 12.256 -12.153 -5.325 1.00 0.00 S ATOM 0 H CYS A 30 10.098 -10.256 -4.466 1.00 0.00 H new ATOM 0 HA CYS A 30 9.075 -11.934 -5.591 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.960 -13.787 -4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.543 -13.741 -5.850 1.00 0.00 H new ATOM 0 HG CYS A 30 13.242 -12.959 -5.587 1.00 0.00 H new ATOM 445 N HIS A 31 7.435 -12.456 -3.459 1.00 0.00 N ATOM 446 CA HIS A 31 6.386 -13.137 -2.709 1.00 0.00 C ATOM 447 C HIS A 31 6.210 -14.571 -3.202 1.00 0.00 C ATOM 448 O HIS A 31 5.893 -14.803 -4.369 1.00 0.00 O ATOM 449 CB HIS A 31 5.065 -12.377 -2.833 1.00 0.00 C ATOM 450 CG HIS A 31 4.867 -11.342 -1.769 1.00 0.00 C ATOM 451 ND1 HIS A 31 4.772 -9.995 -1.851 1.00 0.00 N flip ATOM 452 CD2 HIS A 31 4.746 -11.653 -0.431 1.00 0.00 C flip ATOM 453 CE1 HIS A 31 4.594 -9.521 -0.574 1.00 0.00 C flip ATOM 454 NE2 HIS A 31 4.582 -10.541 0.264 1.00 0.00 N flip ATOM 0 H HIS A 31 7.263 -11.463 -3.616 1.00 0.00 H new ATOM 0 HA HIS A 31 6.683 -13.165 -1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.023 -11.895 -3.810 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.241 -13.089 -2.794 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.780 -12.649 -0.016 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.482 -8.482 -0.300 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.466 -10.481 1.276 1.00 0.00 H new ATOM 535 N TYR A 37 -1.842 -22.112 -3.405 1.00 0.00 N ATOM 536 CA TYR A 37 -3.175 -22.215 -3.985 1.00 0.00 C ATOM 537 C TYR A 37 -4.245 -21.851 -2.960 1.00 0.00 C ATOM 538 O TYR A 37 -4.527 -22.618 -2.040 1.00 0.00 O ATOM 539 CB TYR A 37 -3.418 -23.630 -4.511 1.00 0.00 C ATOM 540 CG TYR A 37 -2.566 -23.986 -5.709 1.00 0.00 C ATOM 541 CD1 TYR A 37 -2.717 -23.317 -6.917 1.00 0.00 C ATOM 542 CD2 TYR A 37 -1.610 -24.991 -5.632 1.00 0.00 C ATOM 543 CE1 TYR A 37 -1.942 -23.639 -8.014 1.00 0.00 C ATOM 544 CE2 TYR A 37 -0.829 -25.319 -6.723 1.00 0.00 C ATOM 545 CZ TYR A 37 -0.998 -24.640 -7.912 1.00 0.00 C ATOM 546 OH TYR A 37 -0.223 -24.964 -9.002 1.00 0.00 O ATOM 0 HA TYR A 37 -3.237 -21.511 -4.815 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.222 -24.344 -3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.469 -23.733 -4.780 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.453 -22.531 -7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.475 -25.525 -4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.074 -23.110 -8.946 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.090 -26.103 -6.646 1.00 0.00 H new ATOM 0 HH TYR A 37 0.392 -25.688 -8.762 1.00 0.00 H new ATOM 556 N LYS A 38 -4.838 -20.673 -3.126 1.00 0.00 N ATOM 557 CA LYS A 38 -5.878 -20.205 -2.219 1.00 0.00 C ATOM 558 C LYS A 38 -7.169 -19.912 -2.976 1.00 0.00 C ATOM 559 O LYS A 38 -7.144 -19.586 -4.163 1.00 0.00 O ATOM 560 CB LYS A 38 -5.411 -18.949 -1.479 1.00 0.00 C ATOM 561 CG LYS A 38 -4.526 -19.242 -0.281 1.00 0.00 C ATOM 562 CD LYS A 38 -3.837 -17.986 0.225 1.00 0.00 C ATOM 563 CE LYS A 38 -2.525 -17.738 -0.502 1.00 0.00 C ATOM 564 NZ LYS A 38 -1.487 -18.739 -0.130 1.00 0.00 N ATOM 0 H LYS A 38 -4.615 -20.025 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.075 -20.994 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.867 -18.309 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.284 -18.388 -1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.127 -19.676 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.776 -19.984 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.496 -17.129 0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.649 -18.079 1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.694 -17.773 -1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.164 -16.736 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.544 -18.357 -0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.554 -18.947 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.637 -19.613 -0.673 1.00 0.00 H new ATOM 578 N CYS A 39 -8.297 -20.028 -2.282 1.00 0.00 N ATOM 579 CA CYS A 39 -9.598 -19.774 -2.888 1.00 0.00 C ATOM 580 C CYS A 39 -9.719 -18.318 -3.327 1.00 0.00 C ATOM 581 O CYS A 39 -9.119 -17.425 -2.729 1.00 0.00 O ATOM 582 CB CYS A 39 -10.718 -20.116 -1.903 1.00 0.00 C ATOM 583 SG CYS A 39 -12.351 -20.333 -2.680 1.00 0.00 S ATOM 0 H CYS A 39 -8.335 -20.297 -1.299 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.691 -20.409 -3.769 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.455 -21.032 -1.374 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.785 -19.325 -1.157 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.282 -20.167 -1.788 1.00 0.00 H new ATOM 588 N LYS A 40 -10.500 -18.085 -4.377 1.00 0.00 N ATOM 589 CA LYS A 40 -10.702 -16.738 -4.897 1.00 0.00 C ATOM 590 C LYS A 40 -11.523 -15.897 -3.924 1.00 0.00 C ATOM 591 O LYS A 40 -11.168 -14.758 -3.619 1.00 0.00 O ATOM 592 CB LYS A 40 -11.403 -16.794 -6.256 1.00 0.00 C ATOM 593 CG LYS A 40 -11.632 -15.428 -6.879 1.00 0.00 C ATOM 594 CD LYS A 40 -12.341 -15.538 -8.219 1.00 0.00 C ATOM 595 CE LYS A 40 -11.371 -15.897 -9.334 1.00 0.00 C ATOM 596 NZ LYS A 40 -10.474 -14.759 -9.677 1.00 0.00 N ATOM 0 H LYS A 40 -11.004 -18.812 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.724 -16.271 -5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.807 -17.400 -6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.363 -17.297 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.225 -14.813 -6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.675 -14.923 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -13.123 -16.295 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.831 -14.592 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.770 -16.754 -9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.931 -16.198 -10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.024 -14.937 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.030 -13.882 -9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.740 -14.663 -8.946 1.00 0.00 H new ATOM 610 N THR A 41 -12.622 -16.466 -3.438 1.00 0.00 N ATOM 611 CA THR A 41 -13.493 -15.769 -2.500 1.00 0.00 C ATOM 612 C THR A 41 -13.087 -16.053 -1.059 1.00 0.00 C ATOM 613 O THR A 41 -12.920 -15.133 -0.257 1.00 0.00 O ATOM 614 CB THR A 41 -14.966 -16.172 -2.696 1.00 0.00 C ATOM 615 OG1 THR A 41 -15.802 -15.420 -1.809 1.00 0.00 O ATOM 616 CG2 THR A 41 -15.159 -17.659 -2.442 1.00 0.00 C ATOM 0 H THR A 41 -12.930 -17.408 -3.679 1.00 0.00 H new ATOM 0 HA THR A 41 -13.386 -14.703 -2.701 1.00 0.00 H new ATOM 0 HB THR A 41 -15.244 -15.956 -3.728 1.00 0.00 H new ATOM 0 HG1 THR A 41 -16.737 -15.681 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 41 -16.207 -17.920 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.544 -18.230 -3.138 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.864 -17.895 -1.419 1.00 0.00 H new ATOM 624 N CYS A 42 -12.928 -17.332 -0.734 1.00 0.00 N ATOM 625 CA CYS A 42 -12.541 -17.738 0.611 1.00 0.00 C ATOM 626 C CYS A 42 -11.063 -17.453 0.861 1.00 0.00 C ATOM 627 O CYS A 42 -10.350 -16.988 -0.029 1.00 0.00 O ATOM 628 CB CYS A 42 -12.828 -19.226 0.820 1.00 0.00 C ATOM 629 SG CYS A 42 -14.456 -19.763 0.203 1.00 0.00 S ATOM 0 H CYS A 42 -13.062 -18.106 -1.385 1.00 0.00 H new ATOM 0 HA CYS A 42 -13.130 -17.159 1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -12.053 -19.808 0.322 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -12.762 -19.452 1.884 1.00 0.00 H new ATOM 0 HG CYS A 42 -14.605 -21.036 0.423 1.00 0.00 H new ATOM 634 N ASP A 43 -10.609 -17.737 2.077 1.00 0.00 N ATOM 635 CA ASP A 43 -9.216 -17.513 2.445 1.00 0.00 C ATOM 636 C ASP A 43 -8.569 -18.806 2.933 1.00 0.00 C ATOM 637 O ASP A 43 -7.838 -18.810 3.924 1.00 0.00 O ATOM 638 CB ASP A 43 -9.118 -16.438 3.529 1.00 0.00 C ATOM 639 CG ASP A 43 -9.443 -15.054 3.002 1.00 0.00 C ATOM 640 OD1 ASP A 43 -8.954 -14.707 1.907 1.00 0.00 O ATOM 641 OD2 ASP A 43 -10.185 -14.318 3.686 1.00 0.00 O ATOM 0 H ASP A 43 -11.186 -18.123 2.825 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.682 -17.172 1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.800 -16.683 4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.111 -16.438 3.946 1.00 0.00 H new ATOM 646 N TYR A 44 -8.843 -19.900 2.231 1.00 0.00 N ATOM 647 CA TYR A 44 -8.290 -21.199 2.595 1.00 0.00 C ATOM 648 C TYR A 44 -7.066 -21.528 1.746 1.00 0.00 C ATOM 649 O TYR A 44 -7.028 -21.233 0.551 1.00 0.00 O ATOM 650 CB TYR A 44 -9.348 -22.291 2.428 1.00 0.00 C ATOM 651 CG TYR A 44 -8.768 -23.659 2.149 1.00 0.00 C ATOM 652 CD1 TYR A 44 -8.232 -24.431 3.172 1.00 0.00 C ATOM 653 CD2 TYR A 44 -8.756 -24.180 0.861 1.00 0.00 C ATOM 654 CE1 TYR A 44 -7.700 -25.681 2.921 1.00 0.00 C ATOM 655 CE2 TYR A 44 -8.227 -25.430 0.600 1.00 0.00 C ATOM 656 CZ TYR A 44 -7.700 -26.176 1.633 1.00 0.00 C ATOM 657 OH TYR A 44 -7.172 -27.421 1.379 1.00 0.00 O ATOM 0 H TYR A 44 -9.444 -19.913 1.407 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.983 -21.155 3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.953 -22.340 3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.016 -22.016 1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.231 -24.047 4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.167 -23.598 0.049 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.286 -26.267 3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.226 -25.820 -0.407 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.250 -27.621 0.423 1.00 0.00 H new ATOM 667 N ALA A 45 -6.067 -22.141 2.372 1.00 0.00 N ATOM 668 CA ALA A 45 -4.842 -22.513 1.674 1.00 0.00 C ATOM 669 C ALA A 45 -4.825 -24.003 1.351 1.00 0.00 C ATOM 670 O ALA A 45 -5.177 -24.833 2.188 1.00 0.00 O ATOM 671 CB ALA A 45 -3.626 -22.138 2.508 1.00 0.00 C ATOM 0 H ALA A 45 -6.082 -22.391 3.361 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.808 -21.964 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.718 -22.421 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.623 -21.062 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.664 -22.662 3.463 1.00 0.00 H new ATOM 677 N ALA A 46 -4.415 -24.334 0.131 1.00 0.00 N ATOM 678 CA ALA A 46 -4.351 -25.724 -0.302 1.00 0.00 C ATOM 679 C ALA A 46 -2.908 -26.168 -0.513 1.00 0.00 C ATOM 680 O ALA A 46 -2.139 -25.503 -1.207 1.00 0.00 O ATOM 681 CB ALA A 46 -5.157 -25.917 -1.578 1.00 0.00 C ATOM 0 H ALA A 46 -4.122 -23.658 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.782 -26.344 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.100 -26.960 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.198 -25.649 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.751 -25.281 -2.364 1.00 0.00 H new ATOM 687 N ALA A 47 -2.546 -27.295 0.090 1.00 0.00 N ATOM 688 CA ALA A 47 -1.194 -27.828 -0.033 1.00 0.00 C ATOM 689 C ALA A 47 -0.714 -27.775 -1.479 1.00 0.00 C ATOM 690 O ALA A 47 0.306 -27.156 -1.782 1.00 0.00 O ATOM 691 CB ALA A 47 -1.140 -29.255 0.492 1.00 0.00 C ATOM 0 H ALA A 47 -3.170 -27.857 0.669 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.528 -27.207 0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.125 -29.641 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.433 -29.268 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.823 -29.880 -0.083 1.00 0.00 H new ATOM 697 N ASP A 48 -1.454 -28.429 -2.368 1.00 0.00 N ATOM 698 CA ASP A 48 -1.103 -28.456 -3.783 1.00 0.00 C ATOM 699 C ASP A 48 -2.253 -27.936 -4.639 1.00 0.00 C ATOM 700 O ASP A 48 -3.270 -27.478 -4.117 1.00 0.00 O ATOM 701 CB ASP A 48 -0.735 -29.878 -4.212 1.00 0.00 C ATOM 702 CG ASP A 48 -1.931 -30.809 -4.218 1.00 0.00 C ATOM 703 OD1 ASP A 48 -2.757 -30.708 -5.150 1.00 0.00 O ATOM 704 OD2 ASP A 48 -2.041 -31.638 -3.292 1.00 0.00 O ATOM 0 H ASP A 48 -2.301 -28.947 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.241 -27.805 -3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.294 -29.851 -5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.025 -30.272 -3.538 1.00 0.00 H new ATOM 709 N SER A 49 -2.085 -28.007 -5.955 1.00 0.00 N ATOM 710 CA SER A 49 -3.108 -27.539 -6.883 1.00 0.00 C ATOM 711 C SER A 49 -4.402 -28.328 -6.710 1.00 0.00 C ATOM 712 O SER A 49 -5.475 -27.751 -6.539 1.00 0.00 O ATOM 713 CB SER A 49 -2.612 -27.661 -8.325 1.00 0.00 C ATOM 714 OG SER A 49 -3.266 -26.729 -9.170 1.00 0.00 O ATOM 0 H SER A 49 -1.250 -28.384 -6.403 1.00 0.00 H new ATOM 0 HA SER A 49 -3.311 -26.491 -6.663 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.535 -27.494 -8.358 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.788 -28.673 -8.689 1.00 0.00 H new ATOM 0 HG SER A 49 -2.891 -25.835 -9.024 1.00 0.00 H new ATOM 720 N SER A 50 -4.290 -29.652 -6.755 1.00 0.00 N ATOM 721 CA SER A 50 -5.451 -30.522 -6.607 1.00 0.00 C ATOM 722 C SER A 50 -6.229 -30.179 -5.340 1.00 0.00 C ATOM 723 O SER A 50 -7.439 -29.959 -5.382 1.00 0.00 O ATOM 724 CB SER A 50 -5.015 -31.988 -6.571 1.00 0.00 C ATOM 725 OG SER A 50 -4.120 -32.280 -7.630 1.00 0.00 O ATOM 0 H SER A 50 -3.408 -30.145 -6.893 1.00 0.00 H new ATOM 0 HA SER A 50 -6.103 -30.366 -7.466 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.536 -32.205 -5.616 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.891 -32.633 -6.643 1.00 0.00 H new ATOM 0 HG SER A 50 -3.855 -33.222 -7.584 1.00 0.00 H new ATOM 731 N SER A 51 -5.524 -30.137 -4.214 1.00 0.00 N ATOM 732 CA SER A 51 -6.148 -29.825 -2.933 1.00 0.00 C ATOM 733 C SER A 51 -7.186 -28.719 -3.090 1.00 0.00 C ATOM 734 O SER A 51 -8.269 -28.780 -2.505 1.00 0.00 O ATOM 735 CB SER A 51 -5.087 -29.404 -1.915 1.00 0.00 C ATOM 736 OG SER A 51 -4.389 -30.529 -1.409 1.00 0.00 O ATOM 0 H SER A 51 -4.521 -30.315 -4.163 1.00 0.00 H new ATOM 0 HA SER A 51 -6.651 -30.723 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.383 -28.716 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.560 -28.866 -1.093 1.00 0.00 H new ATOM 0 HG SER A 51 -3.706 -30.808 -2.054 1.00 0.00 H new ATOM 742 N LEU A 52 -6.850 -27.708 -3.884 1.00 0.00 N ATOM 743 CA LEU A 52 -7.753 -26.587 -4.119 1.00 0.00 C ATOM 744 C LEU A 52 -8.916 -27.002 -5.013 1.00 0.00 C ATOM 745 O LEU A 52 -10.069 -26.672 -4.741 1.00 0.00 O ATOM 746 CB LEU A 52 -6.994 -25.421 -4.757 1.00 0.00 C ATOM 747 CG LEU A 52 -7.707 -24.068 -4.741 1.00 0.00 C ATOM 748 CD1 LEU A 52 -7.441 -23.341 -3.432 1.00 0.00 C ATOM 749 CD2 LEU A 52 -7.265 -23.220 -5.925 1.00 0.00 C ATOM 0 H LEU A 52 -5.959 -27.642 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.155 -26.268 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.038 -25.312 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.773 -25.681 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.780 -24.241 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.956 -22.380 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.807 -23.943 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.369 -23.177 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.782 -22.261 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.189 -23.054 -5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.507 -23.737 -6.853 1.00 0.00 H new ATOM 761 N ASN A 53 -8.604 -27.730 -6.080 1.00 0.00 N ATOM 762 CA ASN A 53 -9.624 -28.193 -7.015 1.00 0.00 C ATOM 763 C ASN A 53 -10.825 -28.768 -6.269 1.00 0.00 C ATOM 764 O ASN A 53 -11.956 -28.708 -6.750 1.00 0.00 O ATOM 765 CB ASN A 53 -9.042 -29.249 -7.956 1.00 0.00 C ATOM 766 CG ASN A 53 -8.166 -28.641 -9.035 1.00 0.00 C ATOM 767 OD1 ASN A 53 -6.946 -28.806 -9.025 1.00 0.00 O ATOM 768 ND2 ASN A 53 -8.786 -27.933 -9.972 1.00 0.00 N ATOM 0 H ASN A 53 -7.653 -28.012 -6.319 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.958 -27.337 -7.602 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.458 -29.965 -7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.856 -29.804 -8.422 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.249 -27.500 -10.723 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.800 -27.822 -9.941 1.00 0.00 H new ATOM 775 N LYS A 54 -10.570 -29.324 -5.089 1.00 0.00 N ATOM 776 CA LYS A 54 -11.629 -29.908 -4.274 1.00 0.00 C ATOM 777 C LYS A 54 -12.405 -28.824 -3.533 1.00 0.00 C ATOM 778 O LYS A 54 -13.609 -28.954 -3.306 1.00 0.00 O ATOM 779 CB LYS A 54 -11.039 -30.903 -3.272 1.00 0.00 C ATOM 780 CG LYS A 54 -10.549 -32.191 -3.911 1.00 0.00 C ATOM 781 CD LYS A 54 -10.602 -33.354 -2.934 1.00 0.00 C ATOM 782 CE LYS A 54 -12.013 -33.907 -2.804 1.00 0.00 C ATOM 783 NZ LYS A 54 -12.335 -34.867 -3.896 1.00 0.00 N ATOM 0 H LYS A 54 -9.639 -29.382 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.316 -30.433 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.209 -30.429 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.794 -31.143 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.160 -32.420 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.526 -32.057 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.930 -34.144 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.247 -33.027 -1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.121 -34.404 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.728 -33.085 -2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.305 -35.221 -3.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.257 -34.386 -4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.668 -35.665 -3.865 1.00 0.00 H new ATOM 797 N HIS A 55 -11.710 -27.755 -3.158 1.00 0.00 N ATOM 798 CA HIS A 55 -12.336 -26.648 -2.444 1.00 0.00 C ATOM 799 C HIS A 55 -13.131 -25.764 -3.401 1.00 0.00 C ATOM 800 O HIS A 55 -14.085 -25.098 -2.999 1.00 0.00 O ATOM 801 CB HIS A 55 -11.276 -25.814 -1.723 1.00 0.00 C ATOM 802 CG HIS A 55 -11.842 -24.657 -0.959 1.00 0.00 C ATOM 803 ND1 HIS A 55 -12.335 -24.771 0.323 1.00 0.00 N ATOM 804 CD2 HIS A 55 -11.989 -23.356 -1.303 1.00 0.00 C ATOM 805 CE1 HIS A 55 -12.763 -23.591 0.735 1.00 0.00 C ATOM 806 NE2 HIS A 55 -12.564 -22.715 -0.234 1.00 0.00 N ATOM 0 H HIS A 55 -10.713 -27.632 -3.337 1.00 0.00 H new ATOM 0 HA HIS A 55 -13.023 -27.065 -1.707 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.724 -26.457 -1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.560 -25.440 -2.455 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.707 -22.906 -2.243 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -13.201 -23.379 1.699 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -12.799 -21.723 -0.194 1.00 0.00 H new ATOM 814 N LEU A 56 -12.731 -25.764 -4.668 1.00 0.00 N ATOM 815 CA LEU A 56 -13.406 -24.962 -5.683 1.00 0.00 C ATOM 816 C LEU A 56 -14.720 -25.611 -6.105 1.00 0.00 C ATOM 817 O LEU A 56 -15.704 -24.923 -6.376 1.00 0.00 O ATOM 818 CB LEU A 56 -12.499 -24.778 -6.901 1.00 0.00 C ATOM 819 CG LEU A 56 -11.338 -23.797 -6.732 1.00 0.00 C ATOM 820 CD1 LEU A 56 -10.488 -23.754 -7.992 1.00 0.00 C ATOM 821 CD2 LEU A 56 -11.858 -22.409 -6.389 1.00 0.00 C ATOM 0 H LEU A 56 -11.943 -26.310 -5.017 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.627 -23.986 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.090 -25.751 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.112 -24.444 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.713 -24.142 -5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.667 -23.051 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.085 -24.747 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.102 -23.434 -8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.018 -21.724 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.506 -22.055 -7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.423 -22.452 -5.458 1.00 0.00 H new ATOM 833 N ARG A 57 -14.728 -26.939 -6.157 1.00 0.00 N ATOM 834 CA ARG A 57 -15.921 -27.681 -6.546 1.00 0.00 C ATOM 835 C ARG A 57 -17.076 -27.390 -5.593 1.00 0.00 C ATOM 836 O ARG A 57 -18.173 -27.031 -6.023 1.00 0.00 O ATOM 837 CB ARG A 57 -15.629 -29.183 -6.566 1.00 0.00 C ATOM 838 CG ARG A 57 -15.003 -29.664 -7.865 1.00 0.00 C ATOM 839 CD ARG A 57 -14.680 -31.148 -7.811 1.00 0.00 C ATOM 840 NE ARG A 57 -13.823 -31.563 -8.919 1.00 0.00 N ATOM 841 CZ ARG A 57 -13.521 -32.829 -9.181 1.00 0.00 C ATOM 842 NH1 ARG A 57 -14.004 -33.801 -8.419 1.00 0.00 N ATOM 843 NH2 ARG A 57 -12.734 -33.127 -10.207 1.00 0.00 N ATOM 0 H ARG A 57 -13.922 -27.523 -5.935 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.208 -27.360 -7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.962 -29.426 -5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.558 -29.728 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -15.685 -29.469 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.092 -29.099 -8.062 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.187 -31.377 -6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.607 -31.722 -7.835 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.435 -30.840 -9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.609 -33.577 -7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.770 -34.773 -8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.360 -32.383 -10.796 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.503 -34.100 -10.407 1.00 0.00 H new ATOM 857 N ILE A 58 -16.823 -27.546 -4.298 1.00 0.00 N ATOM 858 CA ILE A 58 -17.842 -27.299 -3.285 1.00 0.00 C ATOM 859 C ILE A 58 -18.724 -26.116 -3.670 1.00 0.00 C ATOM 860 O ILE A 58 -19.945 -26.162 -3.515 1.00 0.00 O ATOM 861 CB ILE A 58 -17.211 -27.028 -1.907 1.00 0.00 C ATOM 862 CG1 ILE A 58 -16.932 -25.534 -1.734 1.00 0.00 C ATOM 863 CG2 ILE A 58 -15.931 -27.834 -1.742 1.00 0.00 C ATOM 864 CD1 ILE A 58 -16.273 -25.190 -0.416 1.00 0.00 C ATOM 0 H ILE A 58 -15.921 -27.842 -3.925 1.00 0.00 H new ATOM 0 HA ILE A 58 -18.453 -28.200 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 58 -17.915 -27.339 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -16.293 -25.195 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -17.871 -24.986 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -15.497 -27.631 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -16.157 -28.897 -1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -15.221 -27.552 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -16.105 -24.114 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -16.920 -25.497 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -15.318 -25.710 -0.340 1.00 0.00 H new ATOM 876 N HIS A 59 -18.098 -25.058 -4.174 1.00 0.00 N ATOM 877 CA HIS A 59 -18.826 -23.862 -4.583 1.00 0.00 C ATOM 878 C HIS A 59 -19.649 -24.131 -5.840 1.00 0.00 C ATOM 879 O HIS A 59 -19.127 -24.097 -6.954 1.00 0.00 O ATOM 880 CB HIS A 59 -17.855 -22.708 -4.833 1.00 0.00 C ATOM 881 CG HIS A 59 -17.070 -22.313 -3.620 1.00 0.00 C ATOM 882 ND1 HIS A 59 -15.818 -22.645 -3.229 1.00 0.00 N flip ATOM 883 CD2 HIS A 59 -17.566 -21.476 -2.643 1.00 0.00 C flip ATOM 884 CE1 HIS A 59 -15.582 -22.009 -2.035 1.00 0.00 C flip ATOM 885 NE2 HIS A 59 -16.652 -21.310 -1.703 1.00 0.00 N flip ATOM 0 H HIS A 59 -17.088 -25.004 -4.309 1.00 0.00 H new ATOM 0 HA HIS A 59 -19.505 -23.587 -3.776 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -17.164 -22.991 -5.627 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -18.415 -21.844 -5.191 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -15.170 -23.254 -3.728 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -18.548 -21.026 -2.646 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.669 -22.071 -1.461 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -16.755 -20.739 -0.864 1.00 0.00 H new ATOM 955 N PRO A 64 -23.842 -16.466 -6.104 1.00 0.00 N ATOM 956 CA PRO A 64 -22.825 -15.869 -6.975 1.00 0.00 C ATOM 957 C PRO A 64 -22.947 -14.351 -7.052 1.00 0.00 C ATOM 958 O PRO A 64 -22.122 -13.683 -7.675 1.00 0.00 O ATOM 959 CB PRO A 64 -23.113 -16.499 -8.340 1.00 0.00 C ATOM 960 CG PRO A 64 -24.556 -16.864 -8.292 1.00 0.00 C ATOM 961 CD PRO A 64 -24.842 -17.236 -6.864 1.00 0.00 C ATOM 0 HA PRO A 64 -21.815 -16.055 -6.609 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -22.909 -15.799 -9.150 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -22.488 -17.376 -8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -25.180 -16.029 -8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -24.770 -17.696 -8.962 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -25.859 -16.970 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -24.734 -18.308 -6.699 1.00 0.00 H new ATOM 969 N PHE A 65 -23.982 -13.812 -6.416 1.00 0.00 N ATOM 970 CA PHE A 65 -24.212 -12.372 -6.413 1.00 0.00 C ATOM 971 C PHE A 65 -23.793 -11.757 -5.081 1.00 0.00 C ATOM 972 O PHE A 65 -24.398 -12.024 -4.043 1.00 0.00 O ATOM 973 CB PHE A 65 -25.686 -12.070 -6.686 1.00 0.00 C ATOM 974 CG PHE A 65 -26.152 -12.529 -8.038 1.00 0.00 C ATOM 975 CD1 PHE A 65 -25.995 -11.720 -9.152 1.00 0.00 C ATOM 976 CD2 PHE A 65 -26.747 -13.771 -8.196 1.00 0.00 C ATOM 977 CE1 PHE A 65 -26.423 -12.140 -10.397 1.00 0.00 C ATOM 978 CE2 PHE A 65 -27.177 -14.196 -9.438 1.00 0.00 C ATOM 979 CZ PHE A 65 -27.014 -13.380 -10.540 1.00 0.00 C ATOM 0 H PHE A 65 -24.675 -14.351 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 65 -23.605 -11.930 -7.203 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -26.295 -12.549 -5.919 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -25.851 -10.996 -6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -25.533 -10.750 -9.046 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -26.876 -14.414 -7.338 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -26.295 -11.499 -11.257 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -27.640 -15.166 -9.547 1.00 0.00 H new ATOM 0 HZ PHE A 65 -27.348 -13.711 -11.512 1.00 0.00 H new ATOM 989 N LYS A 66 -22.752 -10.932 -5.118 1.00 0.00 N ATOM 990 CA LYS A 66 -22.251 -10.277 -3.916 1.00 0.00 C ATOM 991 C LYS A 66 -22.228 -8.762 -4.092 1.00 0.00 C ATOM 992 O LYS A 66 -21.918 -8.256 -5.171 1.00 0.00 O ATOM 993 CB LYS A 66 -20.846 -10.784 -3.583 1.00 0.00 C ATOM 994 CG LYS A 66 -20.809 -12.245 -3.170 1.00 0.00 C ATOM 995 CD LYS A 66 -20.686 -13.162 -4.375 1.00 0.00 C ATOM 996 CE LYS A 66 -19.245 -13.266 -4.851 1.00 0.00 C ATOM 997 NZ LYS A 66 -18.414 -14.086 -3.927 1.00 0.00 N ATOM 0 H LYS A 66 -22.239 -10.701 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 66 -22.923 -10.519 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -20.203 -10.644 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -20.431 -10.177 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.968 -12.413 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -21.715 -12.490 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -21.058 -14.154 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.312 -12.787 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.223 -13.707 -5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.817 -12.267 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.524 -14.346 -4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.203 -13.537 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.933 -14.949 -3.667 1.00 0.00 H new ATOM 1011 N CYS A 67 -22.556 -8.042 -3.024 1.00 0.00 N ATOM 1012 CA CYS A 67 -22.572 -6.585 -3.059 1.00 0.00 C ATOM 1013 C CYS A 67 -21.189 -6.018 -2.751 1.00 0.00 C ATOM 1014 O CYS A 67 -20.377 -6.663 -2.089 1.00 0.00 O ATOM 1015 CB CYS A 67 -23.593 -6.041 -2.057 1.00 0.00 C ATOM 1016 SG CYS A 67 -23.758 -4.227 -2.074 1.00 0.00 S ATOM 0 H CYS A 67 -22.814 -8.445 -2.123 1.00 0.00 H new ATOM 0 HA CYS A 67 -22.857 -6.274 -4.064 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -24.566 -6.486 -2.268 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -23.308 -6.360 -1.054 1.00 0.00 H new ATOM 0 HG CYS A 67 -23.713 -3.799 -3.301 1.00 0.00 H new ATOM 1021 N GLN A 68 -20.930 -4.808 -3.236 1.00 0.00 N ATOM 1022 CA GLN A 68 -19.646 -4.155 -3.013 1.00 0.00 C ATOM 1023 C GLN A 68 -19.673 -3.322 -1.735 1.00 0.00 C ATOM 1024 O GLN A 68 -18.786 -3.438 -0.889 1.00 0.00 O ATOM 1025 CB GLN A 68 -19.287 -3.267 -4.206 1.00 0.00 C ATOM 1026 CG GLN A 68 -18.771 -4.042 -5.408 1.00 0.00 C ATOM 1027 CD GLN A 68 -17.318 -4.446 -5.261 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -16.411 -3.670 -5.565 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -17.087 -5.667 -4.792 1.00 0.00 N ATOM 0 H GLN A 68 -21.592 -4.260 -3.786 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.887 -4.930 -2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -20.168 -2.697 -4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -18.530 -2.546 -3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.380 -4.935 -5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.886 -3.433 -6.305 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.868 -6.278 -4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.128 -5.994 -4.671 1.00 0.00 H new ATOM 1038 N ILE A 69 -20.695 -2.484 -1.602 1.00 0.00 N ATOM 1039 CA ILE A 69 -20.838 -1.634 -0.427 1.00 0.00 C ATOM 1040 C ILE A 69 -20.928 -2.467 0.847 1.00 0.00 C ATOM 1041 O ILE A 69 -20.183 -2.244 1.802 1.00 0.00 O ATOM 1042 CB ILE A 69 -22.085 -0.736 -0.529 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -22.009 0.138 -1.782 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -22.221 0.125 0.717 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -22.569 -0.529 -3.019 1.00 0.00 C ATOM 0 H ILE A 69 -21.437 -2.375 -2.294 1.00 0.00 H new ATOM 0 HA ILE A 69 -19.950 -1.004 -0.384 1.00 0.00 H new ATOM 0 HB ILE A 69 -22.967 -1.371 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -22.552 1.066 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -20.969 0.408 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -23.107 0.754 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.316 -0.516 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -21.338 0.755 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -22.482 0.148 -3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -22.010 -1.442 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -23.618 -0.775 -2.856 1.00 0.00 H new ATOM 1057 N CYS A 70 -21.843 -3.430 0.854 1.00 0.00 N ATOM 1058 CA CYS A 70 -22.031 -4.299 2.010 1.00 0.00 C ATOM 1059 C CYS A 70 -21.689 -5.746 1.664 1.00 0.00 C ATOM 1060 O CYS A 70 -21.776 -6.172 0.512 1.00 0.00 O ATOM 1061 CB CYS A 70 -23.474 -4.210 2.512 1.00 0.00 C ATOM 1062 SG CYS A 70 -24.712 -4.830 1.328 1.00 0.00 S ATOM 0 H CYS A 70 -22.467 -3.629 0.072 1.00 0.00 H new ATOM 0 HA CYS A 70 -21.358 -3.964 2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -23.560 -4.775 3.440 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -23.702 -3.171 2.749 1.00 0.00 H new ATOM 0 HG CYS A 70 -24.314 -4.584 0.115 1.00 0.00 H new ATOM 1067 N PRO A 71 -21.292 -6.520 2.684 1.00 0.00 N ATOM 1068 CA PRO A 71 -20.930 -7.930 2.513 1.00 0.00 C ATOM 1069 C PRO A 71 -22.138 -8.804 2.193 1.00 0.00 C ATOM 1070 O PRO A 71 -22.022 -10.025 2.086 1.00 0.00 O ATOM 1071 CB PRO A 71 -20.340 -8.312 3.873 1.00 0.00 C ATOM 1072 CG PRO A 71 -20.965 -7.364 4.837 1.00 0.00 C ATOM 1073 CD PRO A 71 -21.166 -6.078 4.083 1.00 0.00 C ATOM 0 HA PRO A 71 -20.244 -8.076 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -20.571 -9.346 4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -19.254 -8.219 3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -21.914 -7.752 5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -20.324 -7.211 5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -22.058 -5.550 4.420 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -20.324 -5.398 4.216 1.00 0.00 H new ATOM 1081 N TYR A 72 -23.296 -8.171 2.040 1.00 0.00 N ATOM 1082 CA TYR A 72 -24.526 -8.892 1.733 1.00 0.00 C ATOM 1083 C TYR A 72 -24.353 -9.760 0.491 1.00 0.00 C ATOM 1084 O TYR A 72 -23.413 -9.578 -0.282 1.00 0.00 O ATOM 1085 CB TYR A 72 -25.679 -7.909 1.525 1.00 0.00 C ATOM 1086 CG TYR A 72 -26.993 -8.579 1.193 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -27.767 -9.165 2.187 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -27.460 -8.626 -0.115 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -28.968 -9.779 1.888 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -28.661 -9.237 -0.423 1.00 0.00 C ATOM 1091 CZ TYR A 72 -29.411 -9.812 0.582 1.00 0.00 C ATOM 1092 OH TYR A 72 -30.607 -10.422 0.279 1.00 0.00 O ATOM 0 H TYR A 72 -23.409 -7.161 2.123 1.00 0.00 H new ATOM 0 HA TYR A 72 -24.758 -9.541 2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -25.803 -7.311 2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -25.418 -7.221 0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -27.424 -9.140 3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -26.875 -8.178 -0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -29.557 -10.231 2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -29.010 -9.264 -1.445 1.00 0.00 H new ATOM 0 HH TYR A 72 -30.773 -10.356 -0.685 1.00 0.00 H new ATOM 1102 N ALA A 73 -25.269 -10.705 0.306 1.00 0.00 N ATOM 1103 CA ALA A 73 -25.221 -11.601 -0.843 1.00 0.00 C ATOM 1104 C ALA A 73 -26.528 -12.372 -0.994 1.00 0.00 C ATOM 1105 O ALA A 73 -27.204 -12.664 -0.007 1.00 0.00 O ATOM 1106 CB ALA A 73 -24.050 -12.564 -0.713 1.00 0.00 C ATOM 0 H ALA A 73 -26.053 -10.870 0.937 1.00 0.00 H new ATOM 0 HA ALA A 73 -25.082 -10.995 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -24.026 -13.227 -1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -23.119 -12.000 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -24.165 -13.156 0.195 1.00 0.00 H new ATOM 1112 N SER A 74 -26.878 -12.698 -2.234 1.00 0.00 N ATOM 1113 CA SER A 74 -28.107 -13.432 -2.513 1.00 0.00 C ATOM 1114 C SER A 74 -27.932 -14.345 -3.723 1.00 0.00 C ATOM 1115 O SER A 74 -27.025 -14.153 -4.533 1.00 0.00 O ATOM 1116 CB SER A 74 -29.262 -12.459 -2.757 1.00 0.00 C ATOM 1117 OG SER A 74 -30.500 -13.029 -2.369 1.00 0.00 O ATOM 0 H SER A 74 -26.328 -12.466 -3.061 1.00 0.00 H new ATOM 0 HA SER A 74 -28.338 -14.049 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 74 -29.091 -11.539 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 74 -29.297 -12.189 -3.812 1.00 0.00 H new ATOM 0 HG SER A 74 -31.138 -12.315 -2.159 1.00 0.00 H new ATOM 1123 N ARG A 75 -28.807 -15.339 -3.837 1.00 0.00 N ATOM 1124 CA ARG A 75 -28.749 -16.283 -4.947 1.00 0.00 C ATOM 1125 C ARG A 75 -29.395 -15.693 -6.197 1.00 0.00 C ATOM 1126 O ARG A 75 -28.831 -15.758 -7.288 1.00 0.00 O ATOM 1127 CB ARG A 75 -29.446 -17.591 -4.568 1.00 0.00 C ATOM 1128 CG ARG A 75 -29.003 -18.781 -5.403 1.00 0.00 C ATOM 1129 CD ARG A 75 -29.778 -18.864 -6.709 1.00 0.00 C ATOM 1130 NE ARG A 75 -29.578 -20.144 -7.384 1.00 0.00 N ATOM 1131 CZ ARG A 75 -30.192 -20.484 -8.512 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -31.041 -19.644 -9.087 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -29.957 -21.667 -9.066 1.00 0.00 N ATOM 0 H ARG A 75 -29.564 -15.511 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 75 -27.700 -16.487 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -29.254 -17.804 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -30.523 -17.463 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -27.937 -18.701 -5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -29.147 -19.700 -4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -30.840 -18.721 -6.510 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -29.466 -18.054 -7.368 1.00 0.00 H new ATOM 0 HE ARG A 75 -28.932 -20.813 -6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -31.224 -18.734 -8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -31.511 -19.907 -9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -29.305 -22.316 -8.626 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -30.429 -21.927 -9.932 1.00 0.00 H new ATOM 1147 N ASN A 76 -30.581 -15.118 -6.028 1.00 0.00 N ATOM 1148 CA ASN A 76 -31.305 -14.518 -7.143 1.00 0.00 C ATOM 1149 C ASN A 76 -30.861 -13.075 -7.366 1.00 0.00 C ATOM 1150 O ASN A 76 -30.487 -12.377 -6.424 1.00 0.00 O ATOM 1151 CB ASN A 76 -32.812 -14.565 -6.885 1.00 0.00 C ATOM 1152 CG ASN A 76 -33.622 -14.442 -8.161 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -33.067 -14.386 -9.259 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -34.942 -14.398 -8.022 1.00 0.00 N ATOM 0 H ASN A 76 -31.061 -15.055 -5.130 1.00 0.00 H new ATOM 0 HA ASN A 76 -31.079 -15.093 -8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -33.063 -15.502 -6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -33.087 -13.759 -6.205 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -35.539 -14.315 -8.845 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -35.359 -14.448 -7.092 1.00 0.00 H new ATOM 1161 N SER A 77 -30.906 -12.635 -8.620 1.00 0.00 N ATOM 1162 CA SER A 77 -30.506 -11.277 -8.967 1.00 0.00 C ATOM 1163 C SER A 77 -31.521 -10.262 -8.451 1.00 0.00 C ATOM 1164 O SER A 77 -31.163 -9.296 -7.777 1.00 0.00 O ATOM 1165 CB SER A 77 -30.357 -11.139 -10.484 1.00 0.00 C ATOM 1166 OG SER A 77 -29.608 -9.984 -10.820 1.00 0.00 O ATOM 0 H SER A 77 -31.215 -13.199 -9.411 1.00 0.00 H new ATOM 0 HA SER A 77 -29.545 -11.076 -8.494 1.00 0.00 H new ATOM 0 HB2 SER A 77 -29.865 -12.025 -10.886 1.00 0.00 H new ATOM 0 HB3 SER A 77 -31.343 -11.084 -10.946 1.00 0.00 H new ATOM 0 HG SER A 77 -29.526 -9.920 -11.794 1.00 0.00 H new ATOM 1172 N SER A 78 -32.791 -10.489 -8.771 1.00 0.00 N ATOM 1173 CA SER A 78 -33.859 -9.593 -8.343 1.00 0.00 C ATOM 1174 C SER A 78 -33.581 -9.043 -6.948 1.00 0.00 C ATOM 1175 O SER A 78 -33.419 -7.837 -6.767 1.00 0.00 O ATOM 1176 CB SER A 78 -35.203 -10.325 -8.356 1.00 0.00 C ATOM 1177 OG SER A 78 -35.122 -11.552 -7.651 1.00 0.00 O ATOM 0 H SER A 78 -33.105 -11.286 -9.325 1.00 0.00 H new ATOM 0 HA SER A 78 -33.901 -8.758 -9.042 1.00 0.00 H new ATOM 0 HB2 SER A 78 -35.969 -9.693 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 78 -35.509 -10.513 -9.385 1.00 0.00 H new ATOM 0 HG SER A 78 -35.993 -12.000 -7.672 1.00 0.00 H new ATOM 1183 N GLN A 79 -33.526 -9.937 -5.966 1.00 0.00 N ATOM 1184 CA GLN A 79 -33.268 -9.541 -4.587 1.00 0.00 C ATOM 1185 C GLN A 79 -32.150 -8.506 -4.518 1.00 0.00 C ATOM 1186 O GLN A 79 -32.291 -7.467 -3.871 1.00 0.00 O ATOM 1187 CB GLN A 79 -32.900 -10.763 -3.744 1.00 0.00 C ATOM 1188 CG GLN A 79 -33.984 -11.829 -3.710 1.00 0.00 C ATOM 1189 CD GLN A 79 -33.860 -12.750 -2.513 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -33.145 -12.451 -1.556 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -34.558 -13.879 -2.560 1.00 0.00 N ATOM 0 H GLN A 79 -33.657 -10.940 -6.100 1.00 0.00 H new ATOM 0 HA GLN A 79 -34.178 -9.093 -4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -31.983 -11.202 -4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -32.688 -10.440 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -34.962 -11.347 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -33.936 -12.420 -4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -35.138 -14.087 -3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -34.514 -14.538 -1.783 1.00 0.00 H new ATOM 1200 N LEU A 80 -31.040 -8.796 -5.187 1.00 0.00 N ATOM 1201 CA LEU A 80 -29.897 -7.890 -5.201 1.00 0.00 C ATOM 1202 C LEU A 80 -30.263 -6.562 -5.858 1.00 0.00 C ATOM 1203 O LEU A 80 -29.888 -5.493 -5.374 1.00 0.00 O ATOM 1204 CB LEU A 80 -28.722 -8.531 -5.942 1.00 0.00 C ATOM 1205 CG LEU A 80 -27.360 -7.865 -5.744 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -26.882 -8.043 -4.311 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -26.341 -8.433 -6.722 1.00 0.00 C ATOM 0 H LEU A 80 -30.907 -9.651 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 80 -29.606 -7.696 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -28.644 -9.572 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -28.950 -8.536 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 80 -27.467 -6.798 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -25.911 -7.563 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.600 -7.588 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -26.792 -9.106 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -25.378 -7.947 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -26.237 -9.506 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -26.677 -8.253 -7.743 1.00 0.00 H new ATOM 1219 N THR A 81 -30.999 -6.637 -6.962 1.00 0.00 N ATOM 1220 CA THR A 81 -31.416 -5.442 -7.685 1.00 0.00 C ATOM 1221 C THR A 81 -32.102 -4.448 -6.754 1.00 0.00 C ATOM 1222 O THR A 81 -31.670 -3.302 -6.627 1.00 0.00 O ATOM 1223 CB THR A 81 -32.374 -5.790 -8.840 1.00 0.00 C ATOM 1224 OG1 THR A 81 -31.764 -6.750 -9.710 1.00 0.00 O ATOM 1225 CG2 THR A 81 -32.743 -4.544 -9.631 1.00 0.00 C ATOM 0 H THR A 81 -31.319 -7.513 -7.375 1.00 0.00 H new ATOM 0 HA THR A 81 -30.513 -4.989 -8.095 1.00 0.00 H new ATOM 0 HB THR A 81 -33.284 -6.213 -8.413 1.00 0.00 H new ATOM 0 HG1 THR A 81 -32.380 -6.967 -10.441 1.00 0.00 H new ATOM 0 HG21 THR A 81 -33.420 -4.815 -10.441 1.00 0.00 H new ATOM 0 HG22 THR A 81 -33.233 -3.827 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 81 -31.840 -4.096 -10.047 1.00 0.00 H new ATOM 1233 N VAL A 82 -33.172 -4.894 -6.104 1.00 0.00 N ATOM 1234 CA VAL A 82 -33.916 -4.044 -5.182 1.00 0.00 C ATOM 1235 C VAL A 82 -33.058 -3.647 -3.986 1.00 0.00 C ATOM 1236 O VAL A 82 -33.152 -2.526 -3.485 1.00 0.00 O ATOM 1237 CB VAL A 82 -35.190 -4.745 -4.676 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -35.911 -3.875 -3.658 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -36.107 -5.089 -5.840 1.00 0.00 C ATOM 0 H VAL A 82 -33.543 -5.839 -6.199 1.00 0.00 H new ATOM 0 HA VAL A 82 -34.199 -3.149 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 82 -34.901 -5.674 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -36.809 -4.388 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -35.252 -3.685 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -36.189 -2.928 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -37.002 -5.584 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -36.390 -4.175 -6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -35.587 -5.755 -6.529 1.00 0.00 H new ATOM 1249 N HIS A 83 -32.220 -4.574 -3.532 1.00 0.00 N ATOM 1250 CA HIS A 83 -31.344 -4.321 -2.394 1.00 0.00 C ATOM 1251 C HIS A 83 -30.457 -3.106 -2.651 1.00 0.00 C ATOM 1252 O HIS A 83 -30.331 -2.225 -1.800 1.00 0.00 O ATOM 1253 CB HIS A 83 -30.477 -5.547 -2.108 1.00 0.00 C ATOM 1254 CG HIS A 83 -29.163 -5.217 -1.469 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -28.982 -5.166 -0.103 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -27.962 -4.921 -2.018 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -27.726 -4.852 0.161 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -27.086 -4.698 -0.984 1.00 0.00 N ATOM 0 H HIS A 83 -32.129 -5.507 -3.935 1.00 0.00 H new ATOM 0 HA HIS A 83 -31.969 -4.116 -1.525 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -31.027 -6.227 -1.457 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -30.294 -6.078 -3.042 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -27.735 -4.870 -3.073 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -27.296 -4.740 1.145 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -26.101 -4.453 -1.084 1.00 0.00 H new ATOM 1266 N LEU A 84 -29.844 -3.066 -3.829 1.00 0.00 N ATOM 1267 CA LEU A 84 -28.968 -1.959 -4.199 1.00 0.00 C ATOM 1268 C LEU A 84 -29.767 -0.676 -4.400 1.00 0.00 C ATOM 1269 O LEU A 84 -29.287 0.419 -4.105 1.00 0.00 O ATOM 1270 CB LEU A 84 -28.196 -2.298 -5.475 1.00 0.00 C ATOM 1271 CG LEU A 84 -27.340 -3.564 -5.425 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -26.920 -3.980 -6.826 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -26.118 -3.347 -4.543 1.00 0.00 C ATOM 0 H LEU A 84 -29.937 -3.787 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 84 -28.260 -1.801 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -28.910 -2.399 -6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -27.549 -1.455 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 84 -27.938 -4.367 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -26.312 -4.883 -6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -27.807 -4.177 -7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -26.340 -3.179 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -25.520 -4.258 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -25.519 -2.530 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -26.439 -3.097 -3.532 1.00 0.00 H new ATOM 1285 N ARG A 85 -30.990 -0.819 -4.902 1.00 0.00 N ATOM 1286 CA ARG A 85 -31.856 0.329 -5.141 1.00 0.00 C ATOM 1287 C ARG A 85 -32.034 1.151 -3.868 1.00 0.00 C ATOM 1288 O ARG A 85 -32.424 2.317 -3.919 1.00 0.00 O ATOM 1289 CB ARG A 85 -33.220 -0.133 -5.658 1.00 0.00 C ATOM 1290 CG ARG A 85 -33.267 -0.326 -7.165 1.00 0.00 C ATOM 1291 CD ARG A 85 -34.625 -0.837 -7.619 1.00 0.00 C ATOM 1292 NE ARG A 85 -35.575 0.251 -7.834 1.00 0.00 N ATOM 1293 CZ ARG A 85 -36.324 0.774 -6.869 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -36.233 0.311 -5.630 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -37.166 1.762 -7.143 1.00 0.00 N ATOM 0 H ARG A 85 -31.403 -1.718 -5.151 1.00 0.00 H new ATOM 0 HA ARG A 85 -31.383 0.958 -5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -33.484 -1.072 -5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -33.975 0.599 -5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -33.049 0.620 -7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -32.492 -1.031 -7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -34.509 -1.404 -8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -35.023 -1.523 -6.871 1.00 0.00 H new ATOM 0 HE ARG A 85 -35.669 0.630 -8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -35.587 -0.449 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -36.809 0.714 -4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -37.239 2.121 -8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -37.741 2.163 -6.402 1.00 0.00 H new ATOM 1309 N SER A 86 -31.747 0.534 -2.727 1.00 0.00 N ATOM 1310 CA SER A 86 -31.880 1.206 -1.439 1.00 0.00 C ATOM 1311 C SER A 86 -30.621 2.002 -1.110 1.00 0.00 C ATOM 1312 O SER A 86 -30.693 3.172 -0.731 1.00 0.00 O ATOM 1313 CB SER A 86 -32.156 0.186 -0.333 1.00 0.00 C ATOM 1314 OG SER A 86 -33.514 -0.216 -0.338 1.00 0.00 O ATOM 0 H SER A 86 -31.421 -0.431 -2.667 1.00 0.00 H new ATOM 0 HA SER A 86 -32.720 1.897 -1.503 1.00 0.00 H new ATOM 0 HB2 SER A 86 -31.515 -0.685 -0.469 1.00 0.00 H new ATOM 0 HB3 SER A 86 -31.905 0.618 0.636 1.00 0.00 H new ATOM 0 HG SER A 86 -33.664 -0.869 0.377 1.00 0.00 H new ATOM 1320 N HIS A 87 -29.466 1.360 -1.257 1.00 0.00 N ATOM 1321 CA HIS A 87 -28.190 2.007 -0.976 1.00 0.00 C ATOM 1322 C HIS A 87 -28.217 3.471 -1.404 1.00 0.00 C ATOM 1323 O HIS A 87 -28.307 4.372 -0.569 1.00 0.00 O ATOM 1324 CB HIS A 87 -27.054 1.276 -1.693 1.00 0.00 C ATOM 1325 CG HIS A 87 -26.520 0.104 -0.928 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -26.408 0.089 0.446 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -26.069 -1.099 -1.354 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -25.908 -1.071 0.832 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -25.694 -1.811 -0.241 1.00 0.00 N ATOM 0 H HIS A 87 -29.388 0.392 -1.569 1.00 0.00 H new ATOM 0 HA HIS A 87 -28.019 1.964 0.100 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -27.409 0.934 -2.665 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -26.242 1.978 -1.880 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -26.014 -1.436 -2.379 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -25.708 -1.365 1.852 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -25.312 -2.757 -0.243 1.00 0.00 H new