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 120:sc= 0.427 USER MOD Set 1.2: A 70 CYS SG : rot -40:sc= -2.95 USER MOD Set 1.3: A 83 HIS :FLIP no HD1:sc= -1.34 F(o=-5.4!,f=-4.4) USER MOD Set 1.4: A 87 HIS : no HE2:sc= -0.527 K(o=-4.4,f=-7) USER MOD Set 2.1: A 76 ASN : amide:sc= -2.39! C(o=-2.4!,f=-5.9!) USER MOD Set 2.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 72 TYR OH : rot -170:sc= 0.743 USER MOD Set 3.2: A 74 SER OG : rot 55:sc= 2.19 USER MOD Set 3.3: A 79 GLN : amide:sc= -0.0437 K(o=2.9,f=2.2) USER MOD Set 4.1: A 39 CYS SG : rot -161:sc= 0.264 USER MOD Set 4.2: A 42 CYS SG : rot -170:sc= -0.861 USER MOD Set 4.3: A 55 HIS : no HD1:sc= 0.0739 K(o=-2.9,f=-5.5) USER MOD Set 4.4: A 59 HIS :FLIP no HD1:sc= -2.4 F(o=-3.8,f=-2.9) USER MOD Set 5.1: A 11 CYS SG : rot 80:sc= 0.311 USER MOD Set 5.2: A 14 CYS SG : rot -62:sc= -0.173 USER MOD Set 5.3: A 27 HIS : no HD1:sc= -0.468 K(o=-6.8,f=-11) USER MOD Set 5.4: A 30 CYS SG : rot 67:sc= -2.95! USER MOD Set 5.5: A 31 HIS : no HE2:sc= -3.49! C(o=-6.8!,f=-9.1!) USER MOD Single : A 9 HIS : no HD1:sc= -0.852 X(o=-0.85,f=-0.62) USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.403) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0178 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 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 141:sc= 0.0366 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -121:sc= -0.414 (180deg=-1.88!) USER MOD Single : A 68 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.42) USER MOD Single : A 77 SER OG : rot -2:sc= 0.164 USER MOD Single : A 81 THR OG1 : rot 70:sc= 0.251 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 1.902 -0.537 6.081 1.00 0.00 N ATOM 81 CA HIS A 9 1.939 -1.713 5.219 1.00 0.00 C ATOM 82 C HIS A 9 2.979 -2.715 5.710 1.00 0.00 C ATOM 83 O HIS A 9 4.162 -2.393 5.822 1.00 0.00 O ATOM 84 CB HIS A 9 2.247 -1.305 3.778 1.00 0.00 C ATOM 85 CG HIS A 9 1.097 -0.643 3.083 1.00 0.00 C ATOM 86 ND1 HIS A 9 0.275 -1.303 2.194 1.00 0.00 N ATOM 87 CD2 HIS A 9 0.633 0.626 3.152 1.00 0.00 C ATOM 88 CE1 HIS A 9 -0.644 -0.467 1.745 1.00 0.00 C ATOM 89 NE2 HIS A 9 -0.450 0.710 2.311 1.00 0.00 N ATOM 0 HA HIS A 9 0.959 -2.189 5.253 1.00 0.00 H new ATOM 0 HB2 HIS A 9 3.101 -0.627 3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 9 2.541 -2.190 3.214 1.00 0.00 H new ATOM 0 HD2 HIS A 9 1.039 1.424 3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.422 -0.706 1.035 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -1.013 1.545 2.150 1.00 0.00 H new ATOM 97 N LYS A 10 2.530 -3.930 6.003 1.00 0.00 N ATOM 98 CA LYS A 10 3.420 -4.981 6.483 1.00 0.00 C ATOM 99 C LYS A 10 3.199 -6.277 5.709 1.00 0.00 C ATOM 100 O LYS A 10 2.062 -6.661 5.434 1.00 0.00 O ATOM 101 CB LYS A 10 3.199 -5.222 7.978 1.00 0.00 C ATOM 102 CG LYS A 10 4.103 -6.295 8.560 1.00 0.00 C ATOM 103 CD LYS A 10 3.496 -6.919 9.805 1.00 0.00 C ATOM 104 CE LYS A 10 3.919 -6.177 11.064 1.00 0.00 C ATOM 105 NZ LYS A 10 3.121 -4.936 11.270 1.00 0.00 N ATOM 0 H LYS A 10 1.554 -4.212 5.916 1.00 0.00 H new ATOM 0 HA LYS A 10 4.447 -4.654 6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.363 -4.289 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.159 -5.506 8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.279 -7.069 7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.073 -5.862 8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.409 -6.911 9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.802 -7.963 9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.803 -6.831 11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.977 -5.922 10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.170 -4.654 12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.505 -4.174 10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.130 -5.113 11.009 1.00 0.00 H new ATOM 119 N CYS A 11 4.292 -6.948 5.363 1.00 0.00 N ATOM 120 CA CYS A 11 4.218 -8.202 4.623 1.00 0.00 C ATOM 121 C CYS A 11 3.257 -9.176 5.298 1.00 0.00 C ATOM 122 O CYS A 11 2.708 -8.885 6.360 1.00 0.00 O ATOM 123 CB CYS A 11 5.606 -8.834 4.509 1.00 0.00 C ATOM 124 SG CYS A 11 5.850 -9.828 3.002 1.00 0.00 S ATOM 0 H CYS A 11 5.240 -6.644 5.583 1.00 0.00 H new ATOM 0 HA CYS A 11 3.843 -7.983 3.623 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.356 -8.044 4.535 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.778 -9.466 5.380 1.00 0.00 H new ATOM 0 HG CYS A 11 6.106 -9.041 2.000 1.00 0.00 H new ATOM 129 N GLU A 12 3.060 -10.333 4.673 1.00 0.00 N ATOM 130 CA GLU A 12 2.165 -11.349 5.213 1.00 0.00 C ATOM 131 C GLU A 12 2.817 -12.728 5.168 1.00 0.00 C ATOM 132 O GLU A 12 2.651 -13.536 6.082 1.00 0.00 O ATOM 133 CB GLU A 12 0.849 -11.370 4.432 1.00 0.00 C ATOM 134 CG GLU A 12 1.030 -11.609 2.942 1.00 0.00 C ATOM 135 CD GLU A 12 -0.105 -11.034 2.117 1.00 0.00 C ATOM 136 OE1 GLU A 12 -1.141 -11.716 1.974 1.00 0.00 O ATOM 137 OE2 GLU A 12 0.044 -9.900 1.615 1.00 0.00 O ATOM 0 H GLU A 12 3.508 -10.589 3.793 1.00 0.00 H new ATOM 0 HA GLU A 12 1.958 -11.097 6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.206 -12.149 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.333 -10.421 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.971 -11.164 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.103 -12.681 2.756 1.00 0.00 H new ATOM 144 N VAL A 13 3.560 -12.990 4.097 1.00 0.00 N ATOM 145 CA VAL A 13 4.238 -14.270 3.932 1.00 0.00 C ATOM 146 C VAL A 13 5.322 -14.458 4.988 1.00 0.00 C ATOM 147 O VAL A 13 5.512 -15.557 5.510 1.00 0.00 O ATOM 148 CB VAL A 13 4.873 -14.393 2.534 1.00 0.00 C ATOM 149 CG1 VAL A 13 3.827 -14.798 1.506 1.00 0.00 C ATOM 150 CG2 VAL A 13 5.544 -13.086 2.137 1.00 0.00 C ATOM 0 H VAL A 13 3.707 -12.333 3.331 1.00 0.00 H new ATOM 0 HA VAL A 13 3.481 -15.046 4.049 1.00 0.00 H new ATOM 0 HB VAL A 13 5.635 -15.171 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.294 -14.880 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.397 -15.760 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.040 -14.045 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.987 -13.191 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.803 -12.287 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.323 -12.843 2.859 1.00 0.00 H new ATOM 160 N CYS A 14 6.030 -13.378 5.300 1.00 0.00 N ATOM 161 CA CYS A 14 7.096 -13.423 6.294 1.00 0.00 C ATOM 162 C CYS A 14 6.707 -12.637 7.543 1.00 0.00 C ATOM 163 O CYS A 14 7.048 -13.020 8.662 1.00 0.00 O ATOM 164 CB CYS A 14 8.392 -12.861 5.708 1.00 0.00 C ATOM 165 SG CYS A 14 8.351 -11.067 5.393 1.00 0.00 S ATOM 0 H CYS A 14 5.885 -12.460 4.879 1.00 0.00 H new ATOM 0 HA CYS A 14 7.254 -14.464 6.575 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.212 -13.080 6.392 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.610 -13.378 4.773 1.00 0.00 H new ATOM 0 HG CYS A 14 7.431 -10.802 4.513 1.00 0.00 H new ATOM 170 N GLY A 15 5.990 -11.535 7.343 1.00 0.00 N ATOM 171 CA GLY A 15 5.567 -10.712 8.462 1.00 0.00 C ATOM 172 C GLY A 15 6.601 -9.670 8.839 1.00 0.00 C ATOM 173 O GLY A 15 6.864 -9.445 10.021 1.00 0.00 O ATOM 0 H GLY A 15 5.695 -11.198 6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.630 -10.215 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.368 -11.350 9.323 1.00 0.00 H new ATOM 177 N LYS A 16 7.192 -9.034 7.834 1.00 0.00 N ATOM 178 CA LYS A 16 8.204 -8.010 8.065 1.00 0.00 C ATOM 179 C LYS A 16 7.595 -6.614 7.980 1.00 0.00 C ATOM 180 O LYS A 16 6.807 -6.324 7.079 1.00 0.00 O ATOM 181 CB LYS A 16 9.338 -8.146 7.047 1.00 0.00 C ATOM 182 CG LYS A 16 10.613 -7.430 7.458 1.00 0.00 C ATOM 183 CD LYS A 16 11.788 -7.838 6.585 1.00 0.00 C ATOM 184 CE LYS A 16 12.999 -6.951 6.829 1.00 0.00 C ATOM 185 NZ LYS A 16 14.243 -7.541 6.261 1.00 0.00 N ATOM 0 H LYS A 16 6.987 -9.210 6.850 1.00 0.00 H new ATOM 0 HA LYS A 16 8.606 -8.151 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.557 -9.203 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.003 -7.752 6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.464 -6.352 7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.838 -7.655 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.050 -8.876 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.500 -7.781 5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.826 -5.971 6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.126 -6.797 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.045 -6.906 6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.422 -8.465 6.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.131 -7.664 5.234 1.00 0.00 H new ATOM 199 N CYS A 17 7.966 -5.754 8.922 1.00 0.00 N ATOM 200 CA CYS A 17 7.456 -4.387 8.953 1.00 0.00 C ATOM 201 C CYS A 17 8.341 -3.458 8.127 1.00 0.00 C ATOM 202 O CYS A 17 9.536 -3.704 7.965 1.00 0.00 O ATOM 203 CB CYS A 17 7.373 -3.884 10.395 1.00 0.00 C ATOM 204 SG CYS A 17 8.970 -3.792 11.237 1.00 0.00 S ATOM 0 H CYS A 17 8.618 -5.978 9.674 1.00 0.00 H new ATOM 0 HA CYS A 17 6.456 -4.388 8.519 1.00 0.00 H new ATOM 0 HB2 CYS A 17 6.915 -2.895 10.398 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.713 -4.542 10.961 1.00 0.00 H new ATOM 0 HG CYS A 17 8.797 -3.354 12.449 1.00 0.00 H new ATOM 210 N PHE A 18 7.745 -2.391 7.607 1.00 0.00 N ATOM 211 CA PHE A 18 8.478 -1.426 6.796 1.00 0.00 C ATOM 212 C PHE A 18 7.986 -0.006 7.062 1.00 0.00 C ATOM 213 O PHE A 18 7.022 0.200 7.799 1.00 0.00 O ATOM 214 CB PHE A 18 8.329 -1.759 5.310 1.00 0.00 C ATOM 215 CG PHE A 18 8.983 -3.053 4.917 1.00 0.00 C ATOM 216 CD1 PHE A 18 10.345 -3.108 4.668 1.00 0.00 C ATOM 217 CD2 PHE A 18 8.237 -4.214 4.799 1.00 0.00 C ATOM 218 CE1 PHE A 18 10.949 -4.297 4.306 1.00 0.00 C ATOM 219 CE2 PHE A 18 8.835 -5.406 4.437 1.00 0.00 C ATOM 220 CZ PHE A 18 10.194 -5.448 4.192 1.00 0.00 C ATOM 0 H PHE A 18 6.757 -2.172 7.732 1.00 0.00 H new ATOM 0 HA PHE A 18 9.531 -1.484 7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.269 -1.807 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 18 8.759 -0.950 4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.941 -2.212 4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 18 7.175 -4.187 4.992 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.011 -4.326 4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.241 -6.303 4.346 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.665 -6.379 3.912 1.00 0.00 H new ATOM 230 N SER A 19 8.656 0.969 6.457 1.00 0.00 N ATOM 231 CA SER A 19 8.291 2.370 6.631 1.00 0.00 C ATOM 232 C SER A 19 7.287 2.806 5.568 1.00 0.00 C ATOM 233 O SER A 19 6.274 3.435 5.875 1.00 0.00 O ATOM 234 CB SER A 19 9.536 3.256 6.566 1.00 0.00 C ATOM 235 OG SER A 19 10.199 3.296 7.819 1.00 0.00 O ATOM 0 H SER A 19 9.455 0.815 5.842 1.00 0.00 H new ATOM 0 HA SER A 19 7.827 2.479 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.216 2.878 5.803 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.253 4.266 6.268 1.00 0.00 H new ATOM 0 HG SER A 19 10.992 3.867 7.751 1.00 0.00 H new ATOM 241 N ARG A 20 7.577 2.468 4.315 1.00 0.00 N ATOM 242 CA ARG A 20 6.702 2.825 3.205 1.00 0.00 C ATOM 243 C ARG A 20 6.196 1.576 2.489 1.00 0.00 C ATOM 244 O ARG A 20 6.880 0.553 2.443 1.00 0.00 O ATOM 245 CB ARG A 20 7.440 3.730 2.217 1.00 0.00 C ATOM 246 CG ARG A 20 7.828 5.079 2.799 1.00 0.00 C ATOM 247 CD ARG A 20 8.951 5.726 2.004 1.00 0.00 C ATOM 248 NE ARG A 20 9.645 6.754 2.774 1.00 0.00 N ATOM 249 CZ ARG A 20 10.440 7.669 2.230 1.00 0.00 C ATOM 250 NH1 ARG A 20 10.640 7.683 0.920 1.00 0.00 N ATOM 251 NH2 ARG A 20 11.037 8.572 2.998 1.00 0.00 N ATOM 0 H ARG A 20 8.411 1.947 4.044 1.00 0.00 H new ATOM 0 HA ARG A 20 5.845 3.363 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.340 3.220 1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.809 3.889 1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.959 5.737 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.140 4.953 3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.664 4.961 1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.544 6.168 1.095 1.00 0.00 H new ATOM 0 HE ARG A 20 9.512 6.771 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.183 6.990 0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.251 8.387 0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.886 8.564 4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.647 9.274 2.580 1.00 0.00 H new ATOM 265 N LYS A 21 4.993 1.667 1.931 1.00 0.00 N ATOM 266 CA LYS A 21 4.395 0.546 1.216 1.00 0.00 C ATOM 267 C LYS A 21 5.247 0.150 0.014 1.00 0.00 C ATOM 268 O LYS A 21 5.140 -0.967 -0.493 1.00 0.00 O ATOM 269 CB LYS A 21 2.981 0.906 0.754 1.00 0.00 C ATOM 270 CG LYS A 21 2.944 1.652 -0.568 1.00 0.00 C ATOM 271 CD LYS A 21 1.867 2.724 -0.574 1.00 0.00 C ATOM 272 CE LYS A 21 0.474 2.115 -0.637 1.00 0.00 C ATOM 273 NZ LYS A 21 0.013 1.931 -2.041 1.00 0.00 N ATOM 0 H LYS A 21 4.413 2.506 1.960 1.00 0.00 H new ATOM 0 HA LYS A 21 4.344 -0.302 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.394 -0.008 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.502 1.517 1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.915 2.110 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.762 0.947 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.957 3.337 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.015 3.385 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.475 1.152 -0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.228 2.758 -0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.940 1.514 -2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.012 2.853 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.669 1.297 -2.541 1.00 0.00 H new ATOM 287 N ASP A 22 6.094 1.070 -0.434 1.00 0.00 N ATOM 288 CA ASP A 22 6.967 0.815 -1.574 1.00 0.00 C ATOM 289 C ASP A 22 7.943 -0.317 -1.269 1.00 0.00 C ATOM 290 O ASP A 22 8.103 -1.244 -2.062 1.00 0.00 O ATOM 291 CB ASP A 22 7.737 2.083 -1.947 1.00 0.00 C ATOM 292 CG ASP A 22 8.318 2.016 -3.346 1.00 0.00 C ATOM 293 OD1 ASP A 22 7.535 2.072 -4.317 1.00 0.00 O ATOM 294 OD2 ASP A 22 9.556 1.910 -3.469 1.00 0.00 O ATOM 0 H ASP A 22 6.195 1.999 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 22 6.345 0.516 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.072 2.943 -1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.542 2.240 -1.229 1.00 0.00 H new ATOM 299 N LYS A 23 8.595 -0.233 -0.114 1.00 0.00 N ATOM 300 CA LYS A 23 9.556 -1.249 0.298 1.00 0.00 C ATOM 301 C LYS A 23 8.927 -2.638 0.264 1.00 0.00 C ATOM 302 O LYS A 23 9.589 -3.623 -0.067 1.00 0.00 O ATOM 303 CB LYS A 23 10.077 -0.948 1.705 1.00 0.00 C ATOM 304 CG LYS A 23 10.636 0.456 1.858 1.00 0.00 C ATOM 305 CD LYS A 23 12.101 0.520 1.459 1.00 0.00 C ATOM 306 CE LYS A 23 12.263 0.875 -0.011 1.00 0.00 C ATOM 307 NZ LYS A 23 13.655 1.298 -0.329 1.00 0.00 N ATOM 0 H LYS A 23 8.475 0.529 0.554 1.00 0.00 H new ATOM 0 HA LYS A 23 10.390 -1.229 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.267 -1.088 2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.854 -1.669 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.060 1.147 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.525 0.782 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.614 1.261 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.575 -0.441 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.996 0.014 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.572 1.677 -0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.724 1.531 -1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.901 2.135 0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.313 0.524 -0.107 1.00 0.00 H new ATOM 321 N LEU A 24 7.646 -2.711 0.608 1.00 0.00 N ATOM 322 CA LEU A 24 6.926 -3.980 0.616 1.00 0.00 C ATOM 323 C LEU A 24 6.835 -4.563 -0.791 1.00 0.00 C ATOM 324 O LEU A 24 7.118 -5.742 -1.006 1.00 0.00 O ATOM 325 CB LEU A 24 5.523 -3.790 1.193 1.00 0.00 C ATOM 326 CG LEU A 24 4.541 -4.939 0.964 1.00 0.00 C ATOM 327 CD1 LEU A 24 4.611 -5.937 2.109 1.00 0.00 C ATOM 328 CD2 LEU A 24 3.125 -4.407 0.803 1.00 0.00 C ATOM 0 H LEU A 24 7.084 -1.906 0.885 1.00 0.00 H new ATOM 0 HA LEU A 24 7.478 -4.679 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.613 -3.624 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.096 -2.883 0.765 1.00 0.00 H new ATOM 0 HG LEU A 24 4.821 -5.453 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.905 -6.748 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.620 -6.343 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.358 -5.437 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.440 -5.239 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.834 -3.868 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.085 -3.732 -0.052 1.00 0.00 H new ATOM 340 N LYS A 25 6.441 -3.729 -1.747 1.00 0.00 N ATOM 341 CA LYS A 25 6.316 -4.159 -3.135 1.00 0.00 C ATOM 342 C LYS A 25 7.579 -4.879 -3.597 1.00 0.00 C ATOM 343 O LYS A 25 7.539 -6.056 -3.955 1.00 0.00 O ATOM 344 CB LYS A 25 6.041 -2.956 -4.040 1.00 0.00 C ATOM 345 CG LYS A 25 4.640 -2.390 -3.890 1.00 0.00 C ATOM 346 CD LYS A 25 4.291 -1.454 -5.035 1.00 0.00 C ATOM 347 CE LYS A 25 3.706 -2.213 -6.216 1.00 0.00 C ATOM 348 NZ LYS A 25 3.754 -1.410 -7.470 1.00 0.00 N ATOM 0 H LYS A 25 6.202 -2.750 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 25 5.479 -4.854 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.766 -2.173 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.196 -3.250 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.919 -3.206 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.563 -1.854 -2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.576 -0.707 -4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.185 -0.917 -5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.257 -3.143 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.673 -2.484 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.346 -1.962 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.208 -0.534 -7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.742 -1.172 -7.693 1.00 0.00 H new ATOM 362 N THR A 26 8.700 -4.164 -3.586 1.00 0.00 N ATOM 363 CA THR A 26 9.974 -4.734 -4.004 1.00 0.00 C ATOM 364 C THR A 26 10.456 -5.788 -3.014 1.00 0.00 C ATOM 365 O THR A 26 11.064 -6.786 -3.401 1.00 0.00 O ATOM 366 CB THR A 26 11.056 -3.647 -4.147 1.00 0.00 C ATOM 367 OG1 THR A 26 10.630 -2.652 -5.084 1.00 0.00 O ATOM 368 CG2 THR A 26 12.373 -4.253 -4.608 1.00 0.00 C ATOM 0 H THR A 26 8.751 -3.189 -3.292 1.00 0.00 H new ATOM 0 HA THR A 26 9.808 -5.201 -4.975 1.00 0.00 H new ATOM 0 HB THR A 26 11.208 -3.185 -3.171 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.323 -1.964 -5.168 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.122 -3.467 -4.702 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.710 -4.990 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.232 -4.737 -5.574 1.00 0.00 H new ATOM 376 N HIS A 27 10.180 -5.560 -1.734 1.00 0.00 N ATOM 377 CA HIS A 27 10.585 -6.492 -0.687 1.00 0.00 C ATOM 378 C HIS A 27 10.251 -7.928 -1.078 1.00 0.00 C ATOM 379 O HIS A 27 11.079 -8.828 -0.941 1.00 0.00 O ATOM 380 CB HIS A 27 9.900 -6.138 0.633 1.00 0.00 C ATOM 381 CG HIS A 27 9.801 -7.290 1.585 1.00 0.00 C ATOM 382 ND1 HIS A 27 10.905 -7.935 2.102 1.00 0.00 N ATOM 383 CD2 HIS A 27 8.722 -7.912 2.114 1.00 0.00 C ATOM 384 CE1 HIS A 27 10.508 -8.905 2.907 1.00 0.00 C ATOM 385 NE2 HIS A 27 9.188 -8.911 2.932 1.00 0.00 N ATOM 0 H HIS A 27 9.678 -4.739 -1.397 1.00 0.00 H new ATOM 0 HA HIS A 27 11.665 -6.411 -0.561 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.450 -5.328 1.112 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.898 -5.763 0.424 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.687 -7.668 1.927 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.153 -9.578 3.452 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.608 -9.554 3.472 1.00 0.00 H new ATOM 393 N MET A 28 9.032 -8.134 -1.566 1.00 0.00 N ATOM 394 CA MET A 28 8.589 -9.461 -1.978 1.00 0.00 C ATOM 395 C MET A 28 9.664 -10.162 -2.802 1.00 0.00 C ATOM 396 O MET A 28 9.775 -11.388 -2.782 1.00 0.00 O ATOM 397 CB MET A 28 7.294 -9.362 -2.787 1.00 0.00 C ATOM 398 CG MET A 28 6.258 -8.440 -2.164 1.00 0.00 C ATOM 399 SD MET A 28 4.567 -8.948 -2.531 1.00 0.00 S ATOM 400 CE MET A 28 4.072 -9.640 -0.955 1.00 0.00 C ATOM 0 H MET A 28 8.334 -7.400 -1.686 1.00 0.00 H new ATOM 0 HA MET A 28 8.404 -10.049 -1.079 1.00 0.00 H new ATOM 0 HB2 MET A 28 7.528 -9.007 -3.790 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.865 -10.358 -2.894 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.400 -8.417 -1.084 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.415 -7.425 -2.528 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.045 -9.999 -1.022 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.731 -10.470 -0.699 1.00 0.00 H new ATOM 0 HE3 MET A 28 4.139 -8.873 -0.184 1.00 0.00 H new ATOM 410 N ARG A 29 10.454 -9.376 -3.527 1.00 0.00 N ATOM 411 CA ARG A 29 11.519 -9.922 -4.359 1.00 0.00 C ATOM 412 C ARG A 29 12.214 -11.086 -3.659 1.00 0.00 C ATOM 413 O ARG A 29 12.431 -12.142 -4.255 1.00 0.00 O ATOM 414 CB ARG A 29 12.540 -8.834 -4.697 1.00 0.00 C ATOM 415 CG ARG A 29 12.126 -7.951 -5.863 1.00 0.00 C ATOM 416 CD ARG A 29 13.309 -7.179 -6.425 1.00 0.00 C ATOM 417 NE ARG A 29 14.127 -8.000 -7.313 1.00 0.00 N ATOM 418 CZ ARG A 29 15.174 -7.536 -7.986 1.00 0.00 C ATOM 419 NH1 ARG A 29 15.529 -6.264 -7.872 1.00 0.00 N ATOM 420 NH2 ARG A 29 15.868 -8.346 -8.776 1.00 0.00 N ATOM 0 H ARG A 29 10.376 -8.359 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 29 11.071 -10.291 -5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.698 -8.210 -3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.496 -9.304 -4.930 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.686 -8.566 -6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.356 -7.252 -5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.947 -6.307 -6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.924 -6.810 -5.604 1.00 0.00 H new ATOM 0 HE ARG A 29 13.881 -8.984 -7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.998 -5.639 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.333 -5.911 -8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.597 -9.325 -8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.672 -7.989 -9.293 1.00 0.00 H new ATOM 434 N CYS A 30 12.560 -10.886 -2.392 1.00 0.00 N ATOM 435 CA CYS A 30 13.231 -11.919 -1.610 1.00 0.00 C ATOM 436 C CYS A 30 12.465 -13.236 -1.677 1.00 0.00 C ATOM 437 O CYS A 30 13.056 -14.302 -1.851 1.00 0.00 O ATOM 438 CB CYS A 30 13.376 -11.473 -0.155 1.00 0.00 C ATOM 439 SG CYS A 30 11.808 -11.343 0.737 1.00 0.00 S ATOM 0 H CYS A 30 12.387 -10.018 -1.884 1.00 0.00 H new ATOM 0 HA CYS A 30 14.223 -12.075 -2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 30 14.022 -12.179 0.368 1.00 0.00 H new ATOM 0 HB3 CYS A 30 13.877 -10.505 -0.131 1.00 0.00 H new ATOM 0 HG CYS A 30 11.289 -12.527 0.877 1.00 0.00 H new ATOM 445 N HIS A 31 11.145 -13.155 -1.537 1.00 0.00 N ATOM 446 CA HIS A 31 10.297 -14.341 -1.580 1.00 0.00 C ATOM 447 C HIS A 31 10.131 -14.837 -3.013 1.00 0.00 C ATOM 448 O HIS A 31 10.515 -14.158 -3.966 1.00 0.00 O ATOM 449 CB HIS A 31 8.928 -14.037 -0.971 1.00 0.00 C ATOM 450 CG HIS A 31 9.001 -13.282 0.320 1.00 0.00 C ATOM 451 ND1 HIS A 31 9.866 -13.617 1.340 1.00 0.00 N ATOM 452 CD2 HIS A 31 8.312 -12.200 0.753 1.00 0.00 C ATOM 453 CE1 HIS A 31 9.704 -12.775 2.346 1.00 0.00 C ATOM 454 NE2 HIS A 31 8.767 -11.906 2.015 1.00 0.00 N ATOM 0 H HIS A 31 10.640 -12.281 -1.393 1.00 0.00 H new ATOM 0 HA HIS A 31 10.780 -15.125 -0.996 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.341 -13.461 -1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.397 -14.974 -0.805 1.00 0.00 H new ATOM 0 HD1 HIS A 31 10.528 -14.393 1.321 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.547 -11.667 0.208 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.246 -12.795 3.280 1.00 0.00 H new ATOM 535 N TYR A 37 -0.056 -24.166 -8.541 1.00 0.00 N ATOM 536 CA TYR A 37 -1.507 -24.111 -8.411 1.00 0.00 C ATOM 537 C TYR A 37 -1.963 -22.727 -7.960 1.00 0.00 C ATOM 538 O TYR A 37 -2.047 -22.446 -6.765 1.00 0.00 O ATOM 539 CB TYR A 37 -1.991 -25.168 -7.417 1.00 0.00 C ATOM 540 CG TYR A 37 -1.642 -26.583 -7.820 1.00 0.00 C ATOM 541 CD1 TYR A 37 -2.433 -27.286 -8.720 1.00 0.00 C ATOM 542 CD2 TYR A 37 -0.521 -27.218 -7.299 1.00 0.00 C ATOM 543 CE1 TYR A 37 -2.118 -28.579 -9.091 1.00 0.00 C ATOM 544 CE2 TYR A 37 -0.198 -28.511 -7.665 1.00 0.00 C ATOM 545 CZ TYR A 37 -0.999 -29.187 -8.561 1.00 0.00 C ATOM 546 OH TYR A 37 -0.682 -30.475 -8.927 1.00 0.00 O ATOM 0 HA TYR A 37 -1.941 -24.315 -9.390 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.557 -24.960 -6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.073 -25.086 -7.310 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.310 -26.813 -9.137 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.108 -26.692 -6.596 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.744 -29.111 -9.792 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.677 -28.990 -7.251 1.00 0.00 H new ATOM 0 HH TYR A 37 0.136 -30.755 -8.465 1.00 0.00 H new ATOM 556 N LYS A 38 -2.257 -21.864 -8.927 1.00 0.00 N ATOM 557 CA LYS A 38 -2.706 -20.509 -8.633 1.00 0.00 C ATOM 558 C LYS A 38 -4.030 -20.211 -9.330 1.00 0.00 C ATOM 559 O LYS A 38 -4.271 -20.666 -10.449 1.00 0.00 O ATOM 560 CB LYS A 38 -1.648 -19.493 -9.070 1.00 0.00 C ATOM 561 CG LYS A 38 -0.341 -19.609 -8.305 1.00 0.00 C ATOM 562 CD LYS A 38 0.536 -18.386 -8.510 1.00 0.00 C ATOM 563 CE LYS A 38 0.212 -17.292 -7.504 1.00 0.00 C ATOM 564 NZ LYS A 38 0.836 -15.992 -7.877 1.00 0.00 N ATOM 0 H LYS A 38 -2.192 -22.080 -9.922 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.856 -20.429 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.449 -19.623 -10.134 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.047 -18.487 -8.941 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.550 -19.734 -7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.195 -20.501 -8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.584 -18.669 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.398 -18.004 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.869 -17.170 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.561 -17.592 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.591 -15.273 -7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.869 -16.102 -7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.484 -15.692 -8.808 1.00 0.00 H new ATOM 578 N CYS A 39 -4.885 -19.443 -8.663 1.00 0.00 N ATOM 579 CA CYS A 39 -6.184 -19.083 -9.218 1.00 0.00 C ATOM 580 C CYS A 39 -6.022 -18.225 -10.470 1.00 0.00 C ATOM 581 O CYS A 39 -5.026 -17.519 -10.627 1.00 0.00 O ATOM 582 CB CYS A 39 -7.017 -18.334 -8.177 1.00 0.00 C ATOM 583 SG CYS A 39 -8.815 -18.434 -8.450 1.00 0.00 S ATOM 0 H CYS A 39 -4.701 -19.058 -7.737 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.701 -20.002 -9.494 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.788 -18.733 -7.189 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.719 -17.286 -8.175 1.00 0.00 H new ATOM 0 HG CYS A 39 -9.407 -17.481 -7.794 1.00 0.00 H new ATOM 588 N LYS A 40 -7.008 -18.292 -11.357 1.00 0.00 N ATOM 589 CA LYS A 40 -6.978 -17.521 -12.595 1.00 0.00 C ATOM 590 C LYS A 40 -7.222 -16.041 -12.320 1.00 0.00 C ATOM 591 O LYS A 40 -6.708 -15.174 -13.027 1.00 0.00 O ATOM 592 CB LYS A 40 -8.029 -18.049 -13.574 1.00 0.00 C ATOM 593 CG LYS A 40 -7.908 -19.537 -13.852 1.00 0.00 C ATOM 594 CD LYS A 40 -6.929 -19.817 -14.980 1.00 0.00 C ATOM 595 CE LYS A 40 -6.364 -21.226 -14.892 1.00 0.00 C ATOM 596 NZ LYS A 40 -5.141 -21.387 -15.727 1.00 0.00 N ATOM 0 H LYS A 40 -7.839 -18.873 -11.242 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.989 -17.632 -13.039 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.022 -17.842 -13.175 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.944 -17.504 -14.514 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.580 -20.051 -12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.887 -19.940 -14.111 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.430 -19.684 -15.939 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.114 -19.094 -14.943 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.128 -21.458 -13.854 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.121 -21.941 -15.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.787 -22.361 -15.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.372 -21.190 -16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.410 -20.722 -15.403 1.00 0.00 H new ATOM 610 N THR A 41 -8.009 -15.758 -11.287 1.00 0.00 N ATOM 611 CA THR A 41 -8.321 -14.382 -10.918 1.00 0.00 C ATOM 612 C THR A 41 -7.640 -13.996 -9.610 1.00 0.00 C ATOM 613 O THR A 41 -6.999 -12.949 -9.517 1.00 0.00 O ATOM 614 CB THR A 41 -9.840 -14.169 -10.775 1.00 0.00 C ATOM 615 OG1 THR A 41 -10.107 -12.844 -10.304 1.00 0.00 O ATOM 616 CG2 THR A 41 -10.441 -15.185 -9.816 1.00 0.00 C ATOM 0 H THR A 41 -8.442 -16.463 -10.691 1.00 0.00 H new ATOM 0 HA THR A 41 -7.947 -13.747 -11.721 1.00 0.00 H new ATOM 0 HB THR A 41 -10.297 -14.304 -11.755 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.075 -12.716 -10.217 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.514 -15.015 -9.731 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.262 -16.192 -10.193 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.978 -15.078 -8.835 1.00 0.00 H new ATOM 624 N CYS A 42 -7.783 -14.848 -8.600 1.00 0.00 N ATOM 625 CA CYS A 42 -7.182 -14.596 -7.296 1.00 0.00 C ATOM 626 C CYS A 42 -5.682 -14.875 -7.326 1.00 0.00 C ATOM 627 O CYS A 42 -5.181 -15.536 -8.236 1.00 0.00 O ATOM 628 CB CYS A 42 -7.852 -15.461 -6.227 1.00 0.00 C ATOM 629 SG CYS A 42 -9.672 -15.458 -6.301 1.00 0.00 S ATOM 0 H CYS A 42 -8.310 -15.719 -8.660 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.333 -13.545 -7.050 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.497 -16.486 -6.329 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.538 -15.112 -5.243 1.00 0.00 H new ATOM 0 HG CYS A 42 -10.150 -16.041 -5.242 1.00 0.00 H new ATOM 634 N ASP A 43 -4.971 -14.368 -6.324 1.00 0.00 N ATOM 635 CA ASP A 43 -3.529 -14.564 -6.234 1.00 0.00 C ATOM 636 C ASP A 43 -3.191 -15.651 -5.219 1.00 0.00 C ATOM 637 O ASP A 43 -2.122 -15.633 -4.607 1.00 0.00 O ATOM 638 CB ASP A 43 -2.839 -13.255 -5.846 1.00 0.00 C ATOM 639 CG ASP A 43 -3.034 -12.168 -6.885 1.00 0.00 C ATOM 640 OD1 ASP A 43 -4.062 -11.462 -6.820 1.00 0.00 O ATOM 641 OD2 ASP A 43 -2.158 -12.023 -7.763 1.00 0.00 O ATOM 0 H ASP A 43 -5.370 -13.818 -5.563 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.168 -14.881 -7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.229 -12.912 -4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.773 -13.436 -5.709 1.00 0.00 H new ATOM 646 N TYR A 44 -4.107 -16.597 -5.045 1.00 0.00 N ATOM 647 CA TYR A 44 -3.908 -17.691 -4.102 1.00 0.00 C ATOM 648 C TYR A 44 -2.840 -18.657 -4.607 1.00 0.00 C ATOM 649 O TYR A 44 -2.601 -18.763 -5.809 1.00 0.00 O ATOM 650 CB TYR A 44 -5.221 -18.440 -3.872 1.00 0.00 C ATOM 651 CG TYR A 44 -5.062 -19.707 -3.063 1.00 0.00 C ATOM 652 CD1 TYR A 44 -5.010 -19.667 -1.675 1.00 0.00 C ATOM 653 CD2 TYR A 44 -4.965 -20.945 -3.686 1.00 0.00 C ATOM 654 CE1 TYR A 44 -4.864 -20.822 -0.932 1.00 0.00 C ATOM 655 CE2 TYR A 44 -4.820 -22.106 -2.951 1.00 0.00 C ATOM 656 CZ TYR A 44 -4.770 -22.039 -1.574 1.00 0.00 C ATOM 657 OH TYR A 44 -4.625 -23.192 -0.838 1.00 0.00 O ATOM 0 H TYR A 44 -4.995 -16.628 -5.545 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.571 -17.265 -3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.922 -17.779 -3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.662 -18.688 -4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.085 -18.716 -1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.004 -21.001 -4.764 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.824 -20.772 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.746 -23.060 -3.452 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.155 -23.909 -1.245 1.00 0.00 H new ATOM 667 N ALA A 45 -2.202 -19.361 -3.678 1.00 0.00 N ATOM 668 CA ALA A 45 -1.162 -20.320 -4.026 1.00 0.00 C ATOM 669 C ALA A 45 -1.388 -21.655 -3.324 1.00 0.00 C ATOM 670 O ALA A 45 -1.974 -21.706 -2.243 1.00 0.00 O ATOM 671 CB ALA A 45 0.210 -19.763 -3.676 1.00 0.00 C ATOM 0 H ALA A 45 -2.388 -19.285 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.208 -20.492 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.977 -20.491 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.379 -18.839 -4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.258 -19.560 -2.606 1.00 0.00 H new ATOM 677 N ALA A 46 -0.919 -22.732 -3.945 1.00 0.00 N ATOM 678 CA ALA A 46 -1.069 -24.066 -3.378 1.00 0.00 C ATOM 679 C ALA A 46 0.037 -24.997 -3.863 1.00 0.00 C ATOM 680 O ALA A 46 0.448 -24.936 -5.021 1.00 0.00 O ATOM 681 CB ALA A 46 -2.435 -24.639 -3.729 1.00 0.00 C ATOM 0 H ALA A 46 -0.432 -22.707 -4.841 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.989 -23.983 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.533 -25.636 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.215 -23.992 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.537 -24.700 -4.813 1.00 0.00 H new ATOM 687 N ALA A 47 0.515 -25.857 -2.970 1.00 0.00 N ATOM 688 CA ALA A 47 1.573 -26.801 -3.308 1.00 0.00 C ATOM 689 C ALA A 47 1.006 -28.037 -3.997 1.00 0.00 C ATOM 690 O ALA A 47 1.531 -28.487 -5.016 1.00 0.00 O ATOM 691 CB ALA A 47 2.345 -27.198 -2.058 1.00 0.00 C ATOM 0 H ALA A 47 0.186 -25.919 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 47 2.255 -26.311 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.132 -27.903 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.790 -26.311 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.666 -27.665 -1.344 1.00 0.00 H new ATOM 697 N ASP A 48 -0.068 -28.582 -3.436 1.00 0.00 N ATOM 698 CA ASP A 48 -0.707 -29.766 -3.997 1.00 0.00 C ATOM 699 C ASP A 48 -1.955 -29.387 -4.788 1.00 0.00 C ATOM 700 O ASP A 48 -2.442 -28.261 -4.695 1.00 0.00 O ATOM 701 CB ASP A 48 -1.072 -30.750 -2.884 1.00 0.00 C ATOM 702 CG ASP A 48 0.149 -31.298 -2.171 1.00 0.00 C ATOM 703 OD1 ASP A 48 0.876 -32.110 -2.780 1.00 0.00 O ATOM 704 OD2 ASP A 48 0.377 -30.914 -1.005 1.00 0.00 O ATOM 0 H ASP A 48 -0.514 -28.222 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.000 -30.243 -4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.718 -30.252 -2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.643 -31.576 -3.307 1.00 0.00 H new ATOM 709 N SER A 49 -2.466 -30.336 -5.567 1.00 0.00 N ATOM 710 CA SER A 49 -3.654 -30.100 -6.378 1.00 0.00 C ATOM 711 C SER A 49 -4.874 -29.849 -5.496 1.00 0.00 C ATOM 712 O SER A 49 -5.473 -28.775 -5.537 1.00 0.00 O ATOM 713 CB SER A 49 -3.914 -31.293 -7.299 1.00 0.00 C ATOM 714 OG SER A 49 -5.011 -31.044 -8.160 1.00 0.00 O ATOM 0 H SER A 49 -2.076 -31.274 -5.653 1.00 0.00 H new ATOM 0 HA SER A 49 -3.478 -29.212 -6.985 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.023 -31.500 -7.891 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.112 -32.182 -6.700 1.00 0.00 H new ATOM 0 HG SER A 49 -5.155 -31.821 -8.739 1.00 0.00 H new ATOM 720 N SER A 50 -5.235 -30.849 -4.698 1.00 0.00 N ATOM 721 CA SER A 50 -6.385 -30.740 -3.808 1.00 0.00 C ATOM 722 C SER A 50 -6.376 -29.405 -3.071 1.00 0.00 C ATOM 723 O SER A 50 -7.393 -28.714 -3.003 1.00 0.00 O ATOM 724 CB SER A 50 -6.388 -31.892 -2.801 1.00 0.00 C ATOM 725 OG SER A 50 -6.171 -33.135 -3.446 1.00 0.00 O ATOM 0 H SER A 50 -4.748 -31.744 -4.650 1.00 0.00 H new ATOM 0 HA SER A 50 -7.289 -30.795 -4.414 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.613 -31.727 -2.053 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.341 -31.915 -2.273 1.00 0.00 H new ATOM 0 HG SER A 50 -6.176 -33.854 -2.780 1.00 0.00 H new ATOM 731 N SER A 51 -5.221 -29.047 -2.520 1.00 0.00 N ATOM 732 CA SER A 51 -5.079 -27.796 -1.784 1.00 0.00 C ATOM 733 C SER A 51 -5.727 -26.643 -2.544 1.00 0.00 C ATOM 734 O SER A 51 -6.334 -25.753 -1.945 1.00 0.00 O ATOM 735 CB SER A 51 -3.601 -27.491 -1.535 1.00 0.00 C ATOM 736 OG SER A 51 -3.124 -28.178 -0.391 1.00 0.00 O ATOM 0 H SER A 51 -4.369 -29.606 -2.569 1.00 0.00 H new ATOM 0 HA SER A 51 -5.586 -27.907 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.015 -27.780 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.465 -26.418 -1.401 1.00 0.00 H new ATOM 0 HG SER A 51 -2.177 -27.968 -0.254 1.00 0.00 H new ATOM 742 N LEU A 52 -5.594 -26.664 -3.865 1.00 0.00 N ATOM 743 CA LEU A 52 -6.166 -25.621 -4.709 1.00 0.00 C ATOM 744 C LEU A 52 -7.649 -25.876 -4.960 1.00 0.00 C ATOM 745 O LEU A 52 -8.472 -24.968 -4.851 1.00 0.00 O ATOM 746 CB LEU A 52 -5.417 -25.546 -6.040 1.00 0.00 C ATOM 747 CG LEU A 52 -5.860 -24.439 -6.998 1.00 0.00 C ATOM 748 CD1 LEU A 52 -5.261 -23.104 -6.584 1.00 0.00 C ATOM 749 CD2 LEU A 52 -5.465 -24.782 -8.427 1.00 0.00 C ATOM 0 H LEU A 52 -5.095 -27.392 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.063 -24.669 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.356 -25.414 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.524 -26.504 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.946 -24.357 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.587 -22.328 -7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.593 -22.853 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.173 -23.172 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.788 -23.984 -9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.382 -24.891 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.942 -25.717 -8.722 1.00 0.00 H new ATOM 761 N ASN A 53 -7.982 -27.118 -5.296 1.00 0.00 N ATOM 762 CA ASN A 53 -9.366 -27.493 -5.561 1.00 0.00 C ATOM 763 C ASN A 53 -10.299 -26.918 -4.499 1.00 0.00 C ATOM 764 O ASN A 53 -11.476 -26.670 -4.760 1.00 0.00 O ATOM 765 CB ASN A 53 -9.504 -29.016 -5.607 1.00 0.00 C ATOM 766 CG ASN A 53 -9.291 -29.575 -7.000 1.00 0.00 C ATOM 767 OD1 ASN A 53 -8.156 -29.735 -7.451 1.00 0.00 O ATOM 768 ND2 ASN A 53 -10.385 -29.875 -7.691 1.00 0.00 N ATOM 0 H ASN A 53 -7.312 -27.882 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.649 -27.080 -6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.782 -29.464 -4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.495 -29.299 -5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.304 -30.254 -8.634 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.306 -29.726 -7.278 1.00 0.00 H new ATOM 775 N LYS A 54 -9.764 -26.709 -3.301 1.00 0.00 N ATOM 776 CA LYS A 54 -10.546 -26.161 -2.199 1.00 0.00 C ATOM 777 C LYS A 54 -10.848 -24.684 -2.427 1.00 0.00 C ATOM 778 O LYS A 54 -11.957 -24.219 -2.165 1.00 0.00 O ATOM 779 CB LYS A 54 -9.797 -26.341 -0.877 1.00 0.00 C ATOM 780 CG LYS A 54 -10.507 -25.721 0.314 1.00 0.00 C ATOM 781 CD LYS A 54 -11.450 -26.710 0.979 1.00 0.00 C ATOM 782 CE LYS A 54 -12.850 -26.627 0.392 1.00 0.00 C ATOM 783 NZ LYS A 54 -13.701 -25.648 1.125 1.00 0.00 N ATOM 0 H LYS A 54 -8.792 -26.911 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.490 -26.703 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.656 -27.406 -0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.805 -25.899 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.770 -25.376 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.068 -24.845 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.063 -27.722 0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.491 -26.511 2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.787 -26.340 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.317 -27.611 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.647 -25.620 0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.782 -25.936 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.269 -24.704 1.071 1.00 0.00 H new ATOM 797 N HIS A 55 -9.854 -23.950 -2.919 1.00 0.00 N ATOM 798 CA HIS A 55 -10.015 -22.525 -3.185 1.00 0.00 C ATOM 799 C HIS A 55 -11.040 -22.290 -4.290 1.00 0.00 C ATOM 800 O HIS A 55 -11.901 -21.417 -4.177 1.00 0.00 O ATOM 801 CB HIS A 55 -8.674 -21.904 -3.577 1.00 0.00 C ATOM 802 CG HIS A 55 -8.774 -20.461 -3.968 1.00 0.00 C ATOM 803 ND1 HIS A 55 -8.892 -19.439 -3.050 1.00 0.00 N ATOM 804 CD2 HIS A 55 -8.770 -19.872 -5.187 1.00 0.00 C ATOM 805 CE1 HIS A 55 -8.959 -18.284 -3.687 1.00 0.00 C ATOM 806 NE2 HIS A 55 -8.887 -18.519 -4.985 1.00 0.00 N ATOM 0 H HIS A 55 -8.929 -24.319 -3.141 1.00 0.00 H new ATOM 0 HA HIS A 55 -10.375 -22.049 -2.273 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.981 -21.998 -2.741 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.250 -22.469 -4.408 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.690 -20.373 -6.140 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.056 -17.313 -3.225 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -8.914 -17.810 -5.718 1.00 0.00 H new ATOM 814 N LEU A 56 -10.942 -23.075 -5.357 1.00 0.00 N ATOM 815 CA LEU A 56 -11.861 -22.953 -6.483 1.00 0.00 C ATOM 816 C LEU A 56 -13.310 -22.948 -6.006 1.00 0.00 C ATOM 817 O LEU A 56 -14.100 -22.089 -6.399 1.00 0.00 O ATOM 818 CB LEU A 56 -11.642 -24.098 -7.473 1.00 0.00 C ATOM 819 CG LEU A 56 -10.249 -24.188 -8.098 1.00 0.00 C ATOM 820 CD1 LEU A 56 -10.076 -25.511 -8.827 1.00 0.00 C ATOM 821 CD2 LEU A 56 -10.013 -23.020 -9.044 1.00 0.00 C ATOM 0 H LEU A 56 -10.236 -23.803 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.659 -22.006 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.851 -25.038 -6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -12.373 -24.002 -8.276 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.509 -24.138 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.079 -25.557 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.201 -26.334 -8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.823 -25.592 -9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.017 -23.100 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.759 -23.039 -9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.094 -22.083 -8.493 1.00 0.00 H new ATOM 833 N ARG A 57 -13.651 -23.911 -5.156 1.00 0.00 N ATOM 834 CA ARG A 57 -15.004 -24.017 -4.625 1.00 0.00 C ATOM 835 C ARG A 57 -15.509 -22.658 -4.149 1.00 0.00 C ATOM 836 O ARG A 57 -16.645 -22.274 -4.429 1.00 0.00 O ATOM 837 CB ARG A 57 -15.044 -25.021 -3.471 1.00 0.00 C ATOM 838 CG ARG A 57 -15.157 -26.467 -3.926 1.00 0.00 C ATOM 839 CD ARG A 57 -15.034 -27.430 -2.756 1.00 0.00 C ATOM 840 NE ARG A 57 -16.175 -27.337 -1.848 1.00 0.00 N ATOM 841 CZ ARG A 57 -16.399 -28.195 -0.859 1.00 0.00 C ATOM 842 NH1 ARG A 57 -15.565 -29.205 -0.651 1.00 0.00 N ATOM 843 NH2 ARG A 57 -17.459 -28.044 -0.076 1.00 0.00 N ATOM 0 H ARG A 57 -13.009 -24.629 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 57 -15.656 -24.367 -5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.142 -24.907 -2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -15.889 -24.785 -2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -16.114 -26.619 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.379 -26.681 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.953 -28.450 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.116 -27.219 -2.208 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.836 -26.571 -1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.749 -29.324 -1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.740 -29.862 0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.103 -27.269 -0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.630 -28.703 0.683 1.00 0.00 H new ATOM 857 N ILE A 58 -14.658 -21.936 -3.427 1.00 0.00 N ATOM 858 CA ILE A 58 -15.018 -20.621 -2.913 1.00 0.00 C ATOM 859 C ILE A 58 -15.913 -19.872 -3.895 1.00 0.00 C ATOM 860 O ILE A 58 -16.885 -19.229 -3.500 1.00 0.00 O ATOM 861 CB ILE A 58 -13.769 -19.769 -2.622 1.00 0.00 C ATOM 862 CG1 ILE A 58 -14.037 -18.811 -1.459 1.00 0.00 C ATOM 863 CG2 ILE A 58 -13.353 -18.997 -3.865 1.00 0.00 C ATOM 864 CD1 ILE A 58 -12.823 -18.012 -1.042 1.00 0.00 C ATOM 0 H ILE A 58 -13.715 -22.240 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.561 -20.785 -1.982 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.952 -20.434 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -14.835 -18.124 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.397 -19.383 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.469 -18.400 -3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -13.126 -19.697 -4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.166 -18.340 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.087 -17.355 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.031 -18.691 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.475 -17.413 -1.884 1.00 0.00 H new ATOM 876 N HIS A 59 -15.579 -19.963 -5.179 1.00 0.00 N ATOM 877 CA HIS A 59 -16.354 -19.296 -6.219 1.00 0.00 C ATOM 878 C HIS A 59 -17.528 -20.164 -6.663 1.00 0.00 C ATOM 879 O HIS A 59 -17.419 -20.930 -7.620 1.00 0.00 O ATOM 880 CB HIS A 59 -15.463 -18.971 -7.419 1.00 0.00 C ATOM 881 CG HIS A 59 -14.100 -18.481 -7.037 1.00 0.00 C ATOM 882 ND1 HIS A 59 -12.881 -19.052 -7.180 1.00 0.00 N flip ATOM 883 CD2 HIS A 59 -13.882 -17.263 -6.428 1.00 0.00 C flip ATOM 884 CE1 HIS A 59 -11.958 -18.178 -6.662 1.00 0.00 C flip ATOM 885 NE2 HIS A 59 -12.588 -17.106 -6.215 1.00 0.00 N flip ATOM 0 H HIS A 59 -14.778 -20.492 -5.523 1.00 0.00 H new ATOM 0 HA HIS A 59 -16.747 -18.367 -5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -15.360 -19.863 -8.037 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -15.954 -18.215 -8.031 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.649 -16.549 -6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -10.891 -18.340 -6.626 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.149 -16.295 -5.779 1.00 0.00 H new ATOM 955 N PRO A 64 -25.144 -16.871 -5.066 1.00 0.00 N ATOM 956 CA PRO A 64 -24.760 -16.814 -3.653 1.00 0.00 C ATOM 957 C PRO A 64 -25.582 -15.796 -2.869 1.00 0.00 C ATOM 958 O PRO A 64 -26.017 -16.065 -1.749 1.00 0.00 O ATOM 959 CB PRO A 64 -23.290 -16.390 -3.702 1.00 0.00 C ATOM 960 CG PRO A 64 -23.149 -15.658 -4.992 1.00 0.00 C ATOM 961 CD PRO A 64 -24.102 -16.320 -5.949 1.00 0.00 C ATOM 0 HA PRO A 64 -24.927 -17.765 -3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -23.033 -15.753 -2.855 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -22.627 -17.254 -3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -23.389 -14.602 -4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -22.125 -15.711 -5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -24.515 -15.607 -6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -23.611 -17.102 -6.528 1.00 0.00 H new ATOM 969 N PHE A 65 -25.792 -14.627 -3.465 1.00 0.00 N ATOM 970 CA PHE A 65 -26.562 -13.569 -2.822 1.00 0.00 C ATOM 971 C PHE A 65 -27.988 -14.032 -2.534 1.00 0.00 C ATOM 972 O PHE A 65 -28.730 -14.400 -3.445 1.00 0.00 O ATOM 973 CB PHE A 65 -26.589 -12.320 -3.706 1.00 0.00 C ATOM 974 CG PHE A 65 -25.269 -11.605 -3.773 1.00 0.00 C ATOM 975 CD1 PHE A 65 -24.721 -11.027 -2.639 1.00 0.00 C ATOM 976 CD2 PHE A 65 -24.576 -11.513 -4.969 1.00 0.00 C ATOM 977 CE1 PHE A 65 -23.508 -10.368 -2.699 1.00 0.00 C ATOM 978 CE2 PHE A 65 -23.362 -10.856 -5.035 1.00 0.00 C ATOM 979 CZ PHE A 65 -22.827 -10.284 -3.898 1.00 0.00 C ATOM 0 H PHE A 65 -25.440 -14.389 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 65 -26.079 -13.326 -1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -26.891 -12.604 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -27.347 -11.633 -3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -25.248 -11.092 -1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -24.990 -11.960 -5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -23.093 -9.919 -1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -22.833 -10.790 -5.974 1.00 0.00 H new ATOM 0 HZ PHE A 65 -21.877 -9.772 -3.946 1.00 0.00 H new ATOM 989 N LYS A 66 -28.364 -14.010 -1.260 1.00 0.00 N ATOM 990 CA LYS A 66 -29.699 -14.427 -0.849 1.00 0.00 C ATOM 991 C LYS A 66 -30.356 -13.362 0.024 1.00 0.00 C ATOM 992 O LYS A 66 -29.679 -12.642 0.758 1.00 0.00 O ATOM 993 CB LYS A 66 -29.631 -15.753 -0.089 1.00 0.00 C ATOM 994 CG LYS A 66 -29.702 -16.974 -0.990 1.00 0.00 C ATOM 995 CD LYS A 66 -29.757 -18.260 -0.182 1.00 0.00 C ATOM 996 CE LYS A 66 -28.457 -18.502 0.570 1.00 0.00 C ATOM 997 NZ LYS A 66 -28.466 -17.859 1.914 1.00 0.00 N ATOM 0 H LYS A 66 -27.762 -13.708 -0.494 1.00 0.00 H new ATOM 0 HA LYS A 66 -30.303 -14.561 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -28.704 -15.787 0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -30.450 -15.793 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -30.583 -16.906 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -28.833 -16.993 -1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -30.584 -18.211 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -29.956 -19.100 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -28.296 -19.574 0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -27.622 -18.113 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -27.679 -17.182 1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -29.366 -17.357 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -28.359 -18.588 2.648 1.00 0.00 H new ATOM 1011 N CYS A 67 -31.679 -13.268 -0.061 1.00 0.00 N ATOM 1012 CA CYS A 67 -32.429 -12.293 0.722 1.00 0.00 C ATOM 1013 C CYS A 67 -32.950 -12.916 2.013 1.00 0.00 C ATOM 1014 O CYS A 67 -33.315 -14.091 2.043 1.00 0.00 O ATOM 1015 CB CYS A 67 -33.596 -11.739 -0.098 1.00 0.00 C ATOM 1016 SG CYS A 67 -34.607 -10.509 0.786 1.00 0.00 S ATOM 0 H CYS A 67 -32.254 -13.856 -0.665 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.755 -11.476 0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -33.204 -11.285 -1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -34.236 -12.566 -0.405 1.00 0.00 H new ATOM 0 HG CYS A 67 -34.581 -9.381 0.140 1.00 0.00 H new ATOM 1021 N GLN A 68 -32.981 -12.120 3.077 1.00 0.00 N ATOM 1022 CA GLN A 68 -33.458 -12.594 4.371 1.00 0.00 C ATOM 1023 C GLN A 68 -34.980 -12.676 4.394 1.00 0.00 C ATOM 1024 O GLN A 68 -35.550 -13.740 4.640 1.00 0.00 O ATOM 1025 CB GLN A 68 -32.968 -11.670 5.488 1.00 0.00 C ATOM 1026 CG GLN A 68 -31.471 -11.758 5.738 1.00 0.00 C ATOM 1027 CD GLN A 68 -30.661 -10.999 4.706 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -30.755 -9.775 4.604 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -29.859 -11.722 3.934 1.00 0.00 N ATOM 0 H GLN A 68 -32.682 -11.145 3.069 1.00 0.00 H new ATOM 0 HA GLN A 68 -33.057 -13.594 4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -33.226 -10.641 5.236 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -33.497 -11.915 6.409 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -31.249 -11.365 6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -31.167 -12.805 5.735 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -29.812 -12.734 4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -29.289 -11.266 3.222 1.00 0.00 H new ATOM 1038 N ILE A 69 -35.633 -11.548 4.137 1.00 0.00 N ATOM 1039 CA ILE A 69 -37.089 -11.493 4.128 1.00 0.00 C ATOM 1040 C ILE A 69 -37.676 -12.618 3.282 1.00 0.00 C ATOM 1041 O ILE A 69 -38.478 -13.418 3.764 1.00 0.00 O ATOM 1042 CB ILE A 69 -37.599 -10.142 3.591 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -37.000 -8.989 4.398 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -39.119 -10.094 3.635 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -36.819 -7.720 3.596 1.00 0.00 C ATOM 0 H ILE A 69 -35.176 -10.659 3.932 1.00 0.00 H new ATOM 0 HA ILE A 69 -37.415 -11.610 5.161 1.00 0.00 H new ATOM 0 HB ILE A 69 -37.282 -10.037 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -37.645 -8.781 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -36.034 -9.298 4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -39.464 -9.133 3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -39.526 -10.897 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -39.457 -10.217 4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -36.390 -6.946 4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -36.150 -7.912 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -37.786 -7.386 3.220 1.00 0.00 H new ATOM 1057 N CYS A 70 -37.270 -12.674 2.018 1.00 0.00 N ATOM 1058 CA CYS A 70 -37.753 -13.701 1.104 1.00 0.00 C ATOM 1059 C CYS A 70 -36.625 -14.646 0.702 1.00 0.00 C ATOM 1060 O CYS A 70 -35.449 -14.282 0.694 1.00 0.00 O ATOM 1061 CB CYS A 70 -38.363 -13.058 -0.143 1.00 0.00 C ATOM 1062 SG CYS A 70 -37.147 -12.254 -1.236 1.00 0.00 S ATOM 0 H CYS A 70 -36.607 -12.019 1.603 1.00 0.00 H new ATOM 0 HA CYS A 70 -38.521 -14.278 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -38.895 -13.822 -0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -39.102 -12.319 0.167 1.00 0.00 H new ATOM 0 HG CYS A 70 -36.256 -11.640 -0.516 1.00 0.00 H new ATOM 1067 N PRO A 71 -36.989 -15.891 0.359 1.00 0.00 N ATOM 1068 CA PRO A 71 -36.023 -16.914 -0.051 1.00 0.00 C ATOM 1069 C PRO A 71 -35.405 -16.615 -1.413 1.00 0.00 C ATOM 1070 O PRO A 71 -34.627 -17.410 -1.940 1.00 0.00 O ATOM 1071 CB PRO A 71 -36.865 -18.191 -0.115 1.00 0.00 C ATOM 1072 CG PRO A 71 -38.255 -17.717 -0.361 1.00 0.00 C ATOM 1073 CD PRO A 71 -38.373 -16.395 0.345 1.00 0.00 C ATOM 0 HA PRO A 71 -35.179 -16.977 0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -36.524 -18.850 -0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -36.798 -18.756 0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -38.447 -17.608 -1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -38.984 -18.431 0.023 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -39.043 -15.716 -0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -38.768 -16.512 1.354 1.00 0.00 H new ATOM 1081 N TYR A 72 -35.757 -15.465 -1.977 1.00 0.00 N ATOM 1082 CA TYR A 72 -35.238 -15.062 -3.279 1.00 0.00 C ATOM 1083 C TYR A 72 -33.722 -15.223 -3.334 1.00 0.00 C ATOM 1084 O TYR A 72 -33.072 -15.444 -2.313 1.00 0.00 O ATOM 1085 CB TYR A 72 -35.619 -13.611 -3.576 1.00 0.00 C ATOM 1086 CG TYR A 72 -35.114 -13.114 -4.912 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -35.730 -13.498 -6.096 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -34.020 -12.260 -4.989 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -35.272 -13.047 -7.319 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -33.556 -11.803 -6.207 1.00 0.00 C ATOM 1091 CZ TYR A 72 -34.185 -12.199 -7.369 1.00 0.00 C ATOM 1092 OH TYR A 72 -33.724 -11.747 -8.585 1.00 0.00 O ATOM 0 H TYR A 72 -36.399 -14.795 -1.553 1.00 0.00 H new ATOM 0 HA TYR A 72 -35.682 -15.709 -4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -36.705 -13.516 -3.549 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -35.224 -12.971 -2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -36.582 -14.161 -6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -33.525 -11.949 -4.081 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -35.762 -13.356 -8.230 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -32.705 -11.139 -6.249 1.00 0.00 H new ATOM 0 HH TYR A 72 -32.865 -11.292 -8.461 1.00 0.00 H new ATOM 1102 N ALA A 73 -33.165 -15.110 -4.536 1.00 0.00 N ATOM 1103 CA ALA A 73 -31.726 -15.240 -4.726 1.00 0.00 C ATOM 1104 C ALA A 73 -31.298 -14.676 -6.077 1.00 0.00 C ATOM 1105 O ALA A 73 -31.997 -14.835 -7.077 1.00 0.00 O ATOM 1106 CB ALA A 73 -31.307 -16.698 -4.605 1.00 0.00 C ATOM 0 H ALA A 73 -33.689 -14.929 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 73 -31.228 -14.664 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -30.230 -16.780 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -31.570 -17.071 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -31.821 -17.288 -5.364 1.00 0.00 H new ATOM 1112 N SER A 74 -30.145 -14.015 -6.098 1.00 0.00 N ATOM 1113 CA SER A 74 -29.625 -13.423 -7.325 1.00 0.00 C ATOM 1114 C SER A 74 -28.130 -13.688 -7.466 1.00 0.00 C ATOM 1115 O SER A 74 -27.463 -14.070 -6.504 1.00 0.00 O ATOM 1116 CB SER A 74 -29.891 -11.916 -7.341 1.00 0.00 C ATOM 1117 OG SER A 74 -31.148 -11.626 -7.929 1.00 0.00 O ATOM 0 H SER A 74 -29.553 -13.876 -5.279 1.00 0.00 H new ATOM 0 HA SER A 74 -30.139 -13.885 -8.168 1.00 0.00 H new ATOM 0 HB2 SER A 74 -29.864 -11.528 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 74 -29.101 -11.410 -7.896 1.00 0.00 H new ATOM 0 HG SER A 74 -31.850 -12.126 -7.463 1.00 0.00 H new ATOM 1123 N ARG A 75 -27.610 -13.484 -8.672 1.00 0.00 N ATOM 1124 CA ARG A 75 -26.194 -13.702 -8.940 1.00 0.00 C ATOM 1125 C ARG A 75 -25.408 -12.401 -8.808 1.00 0.00 C ATOM 1126 O ARG A 75 -24.343 -12.367 -8.194 1.00 0.00 O ATOM 1127 CB ARG A 75 -26.002 -14.286 -10.342 1.00 0.00 C ATOM 1128 CG ARG A 75 -24.676 -15.005 -10.526 1.00 0.00 C ATOM 1129 CD ARG A 75 -24.595 -15.685 -11.884 1.00 0.00 C ATOM 1130 NE ARG A 75 -23.643 -16.792 -11.886 1.00 0.00 N ATOM 1131 CZ ARG A 75 -23.180 -17.361 -12.993 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -23.577 -16.928 -14.181 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -22.315 -18.365 -12.913 1.00 0.00 N ATOM 0 H ARG A 75 -28.148 -13.168 -9.479 1.00 0.00 H new ATOM 0 HA ARG A 75 -25.816 -14.411 -8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -26.815 -14.982 -10.551 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -26.074 -13.482 -11.074 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -23.857 -14.292 -10.425 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -24.551 -15.748 -9.738 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -25.581 -16.055 -12.164 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.303 -14.954 -12.638 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.316 -17.148 -10.988 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -24.240 -16.156 -14.247 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -23.220 -17.367 -15.029 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -22.005 -18.700 -12.001 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -21.960 -18.801 -13.764 1.00 0.00 H new ATOM 1147 N ASN A 76 -25.942 -11.332 -9.391 1.00 0.00 N ATOM 1148 CA ASN A 76 -25.291 -10.028 -9.339 1.00 0.00 C ATOM 1149 C ASN A 76 -25.731 -9.248 -8.104 1.00 0.00 C ATOM 1150 O ASN A 76 -26.713 -9.602 -7.452 1.00 0.00 O ATOM 1151 CB ASN A 76 -25.608 -9.226 -10.603 1.00 0.00 C ATOM 1152 CG ASN A 76 -24.969 -7.850 -10.590 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -25.661 -6.833 -10.570 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -23.642 -7.815 -10.601 1.00 0.00 N ATOM 0 H ASN A 76 -26.823 -11.343 -9.905 1.00 0.00 H new ATOM 0 HA ASN A 76 -24.215 -10.189 -9.279 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -25.260 -9.777 -11.477 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -26.688 -9.121 -10.702 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -23.155 -6.919 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -23.109 -8.685 -10.618 1.00 0.00 H new ATOM 1161 N SER A 77 -24.999 -8.185 -7.790 1.00 0.00 N ATOM 1162 CA SER A 77 -25.312 -7.356 -6.631 1.00 0.00 C ATOM 1163 C SER A 77 -26.457 -6.398 -6.943 1.00 0.00 C ATOM 1164 O SER A 77 -27.398 -6.263 -6.160 1.00 0.00 O ATOM 1165 CB SER A 77 -24.076 -6.567 -6.194 1.00 0.00 C ATOM 1166 OG SER A 77 -23.166 -7.394 -5.489 1.00 0.00 O ATOM 0 H SER A 77 -24.185 -7.877 -8.321 1.00 0.00 H new ATOM 0 HA SER A 77 -25.622 -8.012 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 77 -23.584 -6.142 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 77 -24.378 -5.732 -5.562 1.00 0.00 H new ATOM 0 HG SER A 77 -23.543 -8.294 -5.401 1.00 0.00 H new ATOM 1172 N SER A 78 -26.370 -5.735 -8.091 1.00 0.00 N ATOM 1173 CA SER A 78 -27.397 -4.786 -8.506 1.00 0.00 C ATOM 1174 C SER A 78 -28.779 -5.432 -8.474 1.00 0.00 C ATOM 1175 O SER A 78 -29.752 -4.819 -8.037 1.00 0.00 O ATOM 1176 CB SER A 78 -27.099 -4.261 -9.911 1.00 0.00 C ATOM 1177 OG SER A 78 -25.888 -3.524 -9.935 1.00 0.00 O ATOM 0 H SER A 78 -25.599 -5.837 -8.751 1.00 0.00 H new ATOM 0 HA SER A 78 -27.389 -3.951 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 78 -27.034 -5.096 -10.608 1.00 0.00 H new ATOM 0 HB3 SER A 78 -27.920 -3.628 -10.248 1.00 0.00 H new ATOM 0 HG SER A 78 -25.720 -3.201 -10.845 1.00 0.00 H new ATOM 1183 N GLN A 79 -28.855 -6.674 -8.942 1.00 0.00 N ATOM 1184 CA GLN A 79 -30.117 -7.403 -8.968 1.00 0.00 C ATOM 1185 C GLN A 79 -30.713 -7.511 -7.568 1.00 0.00 C ATOM 1186 O GLN A 79 -31.914 -7.319 -7.377 1.00 0.00 O ATOM 1187 CB GLN A 79 -29.910 -8.800 -9.556 1.00 0.00 C ATOM 1188 CG GLN A 79 -29.764 -8.808 -11.069 1.00 0.00 C ATOM 1189 CD GLN A 79 -29.168 -10.100 -11.592 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -29.282 -11.150 -10.959 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -28.527 -10.030 -12.752 1.00 0.00 N ATOM 0 H GLN A 79 -28.058 -7.196 -9.308 1.00 0.00 H new ATOM 0 HA GLN A 79 -30.814 -6.850 -9.598 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -29.019 -9.244 -9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -30.754 -9.431 -9.277 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -30.742 -8.653 -11.525 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -29.134 -7.972 -11.374 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -28.457 -9.139 -13.243 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -28.105 -10.868 -13.153 1.00 0.00 H new ATOM 1200 N LEU A 80 -29.866 -7.821 -6.592 1.00 0.00 N ATOM 1201 CA LEU A 80 -30.309 -7.955 -5.209 1.00 0.00 C ATOM 1202 C LEU A 80 -30.640 -6.592 -4.609 1.00 0.00 C ATOM 1203 O LEU A 80 -31.658 -6.429 -3.934 1.00 0.00 O ATOM 1204 CB LEU A 80 -29.230 -8.644 -4.372 1.00 0.00 C ATOM 1205 CG LEU A 80 -29.535 -8.801 -2.882 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -30.775 -9.656 -2.677 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -28.342 -9.405 -2.154 1.00 0.00 C ATOM 0 H LEU A 80 -28.869 -7.984 -6.733 1.00 0.00 H new ATOM 0 HA LEU A 80 -31.212 -8.565 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -29.050 -9.634 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -28.303 -8.080 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 80 -29.728 -7.813 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -30.976 -9.756 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -31.628 -9.183 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -30.612 -10.643 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -28.577 -9.509 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -28.118 -10.385 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -27.476 -8.753 -2.271 1.00 0.00 H new ATOM 1219 N THR A 81 -29.776 -5.614 -4.861 1.00 0.00 N ATOM 1220 CA THR A 81 -29.977 -4.265 -4.347 1.00 0.00 C ATOM 1221 C THR A 81 -31.307 -3.689 -4.819 1.00 0.00 C ATOM 1222 O THR A 81 -32.082 -3.157 -4.024 1.00 0.00 O ATOM 1223 CB THR A 81 -28.839 -3.323 -4.782 1.00 0.00 C ATOM 1224 OG1 THR A 81 -27.583 -3.818 -4.305 1.00 0.00 O ATOM 1225 CG2 THR A 81 -29.069 -1.915 -4.253 1.00 0.00 C ATOM 0 H THR A 81 -28.930 -5.731 -5.418 1.00 0.00 H new ATOM 0 HA THR A 81 -29.982 -4.339 -3.260 1.00 0.00 H new ATOM 0 HB THR A 81 -28.824 -3.287 -5.871 1.00 0.00 H new ATOM 0 HG1 THR A 81 -27.344 -4.632 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 81 -28.252 -1.268 -4.573 1.00 0.00 H new ATOM 0 HG22 THR A 81 -30.011 -1.529 -4.642 1.00 0.00 H new ATOM 0 HG23 THR A 81 -29.108 -1.937 -3.164 1.00 0.00 H new ATOM 1233 N VAL A 82 -31.566 -3.800 -6.118 1.00 0.00 N ATOM 1234 CA VAL A 82 -32.805 -3.291 -6.695 1.00 0.00 C ATOM 1235 C VAL A 82 -34.018 -3.999 -6.104 1.00 0.00 C ATOM 1236 O VAL A 82 -35.071 -3.390 -5.907 1.00 0.00 O ATOM 1237 CB VAL A 82 -32.821 -3.461 -8.226 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -33.476 -4.779 -8.611 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -33.534 -2.290 -8.884 1.00 0.00 C ATOM 0 H VAL A 82 -30.935 -4.237 -6.790 1.00 0.00 H new ATOM 0 HA VAL A 82 -32.855 -2.229 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 82 -31.791 -3.477 -8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -33.478 -4.881 -9.696 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -32.918 -5.605 -8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -34.502 -4.797 -8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -33.536 -2.426 -9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -34.561 -2.240 -8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -33.017 -1.363 -8.636 1.00 0.00 H new ATOM 1249 N HIS A 83 -33.865 -5.289 -5.821 1.00 0.00 N ATOM 1250 CA HIS A 83 -34.949 -6.080 -5.250 1.00 0.00 C ATOM 1251 C HIS A 83 -35.129 -5.766 -3.768 1.00 0.00 C ATOM 1252 O HIS A 83 -36.231 -5.874 -3.229 1.00 0.00 O ATOM 1253 CB HIS A 83 -34.672 -7.572 -5.436 1.00 0.00 C ATOM 1254 CG HIS A 83 -35.274 -8.432 -4.368 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -34.960 -8.566 -3.058 1.00 0.00 N flip ATOM 1256 CD2 HIS A 83 -36.332 -9.286 -4.596 1.00 0.00 C flip ATOM 1257 CE1 HIS A 83 -35.826 -9.489 -2.524 1.00 0.00 C flip ATOM 1258 NE2 HIS A 83 -36.644 -9.908 -3.473 1.00 0.00 N flip ATOM 0 H HIS A 83 -33.001 -5.808 -5.978 1.00 0.00 H new ATOM 0 HA HIS A 83 -35.869 -5.820 -5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -35.059 -7.887 -6.405 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -33.594 -7.733 -5.456 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -36.829 -9.425 -5.545 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -35.836 -9.819 -1.496 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -37.389 -10.595 -3.358 1.00 0.00 H new ATOM 1266 N LEU A 84 -34.040 -5.377 -3.114 1.00 0.00 N ATOM 1267 CA LEU A 84 -34.077 -5.047 -1.693 1.00 0.00 C ATOM 1268 C LEU A 84 -34.981 -3.845 -1.437 1.00 0.00 C ATOM 1269 O LEU A 84 -36.011 -3.962 -0.773 1.00 0.00 O ATOM 1270 CB LEU A 84 -32.665 -4.756 -1.180 1.00 0.00 C ATOM 1271 CG LEU A 84 -31.859 -5.968 -0.711 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -30.372 -5.649 -0.702 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -32.319 -6.412 0.670 1.00 0.00 C ATOM 0 H LEU A 84 -33.120 -5.282 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 84 -34.483 -5.905 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -32.107 -4.258 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -32.739 -4.051 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 84 -32.030 -6.787 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -29.814 -6.523 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -30.052 -5.379 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -30.183 -4.816 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -31.735 -7.275 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -32.178 -5.597 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -33.374 -6.682 0.633 1.00 0.00 H new ATOM 1285 N ARG A 85 -34.589 -2.692 -1.969 1.00 0.00 N ATOM 1286 CA ARG A 85 -35.364 -1.469 -1.798 1.00 0.00 C ATOM 1287 C ARG A 85 -36.855 -1.742 -1.974 1.00 0.00 C ATOM 1288 O ARG A 85 -37.693 -1.104 -1.336 1.00 0.00 O ATOM 1289 CB ARG A 85 -34.908 -0.407 -2.800 1.00 0.00 C ATOM 1290 CG ARG A 85 -35.069 -0.829 -4.251 1.00 0.00 C ATOM 1291 CD ARG A 85 -34.220 0.028 -5.178 1.00 0.00 C ATOM 1292 NE ARG A 85 -34.817 1.340 -5.409 1.00 0.00 N ATOM 1293 CZ ARG A 85 -35.935 1.527 -6.102 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -36.575 0.492 -6.627 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -36.416 2.753 -6.269 1.00 0.00 N ATOM 0 H ARG A 85 -33.739 -2.579 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 85 -35.196 -1.100 -0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -35.477 0.507 -2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -33.861 -0.170 -2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -34.786 -1.876 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -36.117 -0.751 -4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -33.226 0.153 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -34.093 -0.485 -6.131 1.00 0.00 H new ATOM 0 HE ARG A 85 -34.350 2.158 -5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -36.209 -0.452 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -37.433 0.639 -7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -35.927 3.552 -5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -37.274 2.896 -6.801 1.00 0.00 H new ATOM 1309 N SER A 86 -37.179 -2.695 -2.843 1.00 0.00 N ATOM 1310 CA SER A 86 -38.569 -3.049 -3.105 1.00 0.00 C ATOM 1311 C SER A 86 -39.297 -3.392 -1.809 1.00 0.00 C ATOM 1312 O SER A 86 -40.423 -2.949 -1.580 1.00 0.00 O ATOM 1313 CB SER A 86 -38.642 -4.232 -4.072 1.00 0.00 C ATOM 1314 OG SER A 86 -39.972 -4.457 -4.505 1.00 0.00 O ATOM 0 H SER A 86 -36.498 -3.235 -3.377 1.00 0.00 H new ATOM 0 HA SER A 86 -39.058 -2.187 -3.558 1.00 0.00 H new ATOM 0 HB2 SER A 86 -38.003 -4.040 -4.934 1.00 0.00 H new ATOM 0 HB3 SER A 86 -38.259 -5.128 -3.584 1.00 0.00 H new ATOM 0 HG SER A 86 -39.991 -5.217 -5.123 1.00 0.00 H new ATOM 1320 N HIS A 87 -38.645 -4.183 -0.963 1.00 0.00 N ATOM 1321 CA HIS A 87 -39.229 -4.586 0.311 1.00 0.00 C ATOM 1322 C HIS A 87 -39.549 -3.367 1.171 1.00 0.00 C ATOM 1323 O HIS A 87 -38.818 -3.047 2.110 1.00 0.00 O ATOM 1324 CB HIS A 87 -38.276 -5.518 1.061 1.00 0.00 C ATOM 1325 CG HIS A 87 -38.298 -6.928 0.557 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -39.463 -7.609 0.276 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -37.287 -7.785 0.282 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -39.169 -8.825 -0.148 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -37.855 -8.957 -0.155 1.00 0.00 N ATOM 0 H HIS A 87 -37.712 -4.557 -1.137 1.00 0.00 H new ATOM 0 HA HIS A 87 -40.158 -5.118 0.105 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -37.261 -5.128 0.981 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -38.536 -5.515 2.120 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -40.405 -7.233 0.379 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -36.231 -7.585 0.387 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -39.882 -9.582 -0.439 1.00 0.00 H new