USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=27 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= 0.316 USER MOD Set 1.2: A 70 CYS SG : rot -29:sc= -1.95 USER MOD Set 1.3: A 83 HIS : no HD1:sc= -1.72 X(o=-3.7,f=-3.5) USER MOD Set 1.4: A 87 HIS : no HE2:sc= -0.328 K(o=-3.7,f=-4.7) USER MOD Set 2.1: A 39 CYS SG : rot -163:sc= 1.03 USER MOD Set 2.2: A 42 CYS SG : rot -130:sc= 0.217 USER MOD Set 2.3: A 55 HIS : no HD1:sc= 0.138 K(o=0.58,f=-1.9) USER MOD Set 2.4: A 59 HIS : no HD1:sc= -0.806 X(o=0.58,f=0.17) USER MOD Set 3.1: A 37 TYR OH : rot -46:sc= 0.0494 USER MOD Set 3.2: A 49 SER OG : rot -13:sc= 1.27 USER MOD Set 4.1: A 11 CYS SG : rot 60:sc= -2.8! USER MOD Set 4.2: A 14 CYS SG : rot -64:sc= 0.0398 USER MOD Set 4.3: A 27 HIS : no HD1:sc= -2.15 K(o=-9.3,f=-15!) USER MOD Set 4.4: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.5: A 30 CYS SG : rot -58:sc= -0.572 USER MOD Set 4.6: A 31 HIS :FLIP no HD1:sc= -3.79 F(o=-10!,f=-9.3) USER MOD Single : A 9 HIS : no HD1:sc=-0.00282 X(o=-0.0028,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= -0.319 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.491) USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= -0.101 (180deg=-0.874) 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 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0201) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.344 USER MOD Single : A 50 SER OG : rot -79:sc= 1.18 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.29) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 72 TYR OH : rot 165:sc= -0.0261 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -4.2! C(o=-4.2!,f=-3.8!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.042 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0336 K(o=-0.034,f=-0.98) 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 12.351 -3.304 8.836 1.00 0.00 N ATOM 81 CA HIS A 9 11.967 -4.700 8.661 1.00 0.00 C ATOM 82 C HIS A 9 12.820 -5.368 7.587 1.00 0.00 C ATOM 83 O HIS A 9 13.204 -4.736 6.602 1.00 0.00 O ATOM 84 CB HIS A 9 10.488 -4.801 8.289 1.00 0.00 C ATOM 85 CG HIS A 9 9.564 -4.629 9.455 1.00 0.00 C ATOM 86 ND1 HIS A 9 8.404 -5.358 9.611 1.00 0.00 N ATOM 87 CD2 HIS A 9 9.635 -3.804 10.527 1.00 0.00 C ATOM 88 CE1 HIS A 9 7.801 -4.989 10.727 1.00 0.00 C ATOM 89 NE2 HIS A 9 8.528 -4.048 11.302 1.00 0.00 N ATOM 0 HA HIS A 9 12.133 -5.218 9.606 1.00 0.00 H new ATOM 0 HB2 HIS A 9 10.258 -4.044 7.539 1.00 0.00 H new ATOM 0 HB3 HIS A 9 10.303 -5.772 7.829 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.417 -3.088 10.734 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.872 -5.389 11.105 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.304 -3.579 12.179 1.00 0.00 H new ATOM 97 N LYS A 10 13.115 -6.648 7.784 1.00 0.00 N ATOM 98 CA LYS A 10 13.923 -7.403 6.833 1.00 0.00 C ATOM 99 C LYS A 10 13.261 -8.735 6.493 1.00 0.00 C ATOM 100 O LYS A 10 12.687 -9.394 7.361 1.00 0.00 O ATOM 101 CB LYS A 10 15.322 -7.648 7.402 1.00 0.00 C ATOM 102 CG LYS A 10 15.439 -8.937 8.197 1.00 0.00 C ATOM 103 CD LYS A 10 16.863 -9.173 8.671 1.00 0.00 C ATOM 104 CE LYS A 10 17.721 -9.785 7.575 1.00 0.00 C ATOM 105 NZ LYS A 10 19.169 -9.758 7.923 1.00 0.00 N ATOM 0 H LYS A 10 12.806 -7.185 8.594 1.00 0.00 H new ATOM 0 HA LYS A 10 14.007 -6.815 5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.040 -7.671 6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.596 -6.810 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.770 -8.897 9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.116 -9.776 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.302 -8.229 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.854 -9.833 9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.408 -10.815 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.561 -9.242 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.720 -10.184 7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 19.474 -8.774 8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 19.326 -10.297 8.798 1.00 0.00 H new ATOM 119 N CYS A 11 13.344 -9.126 5.226 1.00 0.00 N ATOM 120 CA CYS A 11 12.755 -10.379 4.771 1.00 0.00 C ATOM 121 C CYS A 11 13.292 -11.557 5.579 1.00 0.00 C ATOM 122 O CYS A 11 14.310 -11.443 6.259 1.00 0.00 O ATOM 123 CB CYS A 11 13.043 -10.593 3.284 1.00 0.00 C ATOM 124 SG CYS A 11 11.767 -11.556 2.410 1.00 0.00 S ATOM 0 H CYS A 11 13.814 -8.592 4.495 1.00 0.00 H new ATOM 0 HA CYS A 11 11.677 -10.320 4.920 1.00 0.00 H new ATOM 0 HB2 CYS A 11 13.144 -9.621 2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 11 14.001 -11.102 3.180 1.00 0.00 H new ATOM 0 HG CYS A 11 10.625 -10.941 2.495 1.00 0.00 H new ATOM 129 N GLU A 12 12.598 -12.689 5.497 1.00 0.00 N ATOM 130 CA GLU A 12 13.005 -13.887 6.221 1.00 0.00 C ATOM 131 C GLU A 12 13.185 -15.064 5.266 1.00 0.00 C ATOM 132 O GLU A 12 13.690 -16.119 5.651 1.00 0.00 O ATOM 133 CB GLU A 12 11.971 -14.239 7.293 1.00 0.00 C ATOM 134 CG GLU A 12 10.540 -14.234 6.782 1.00 0.00 C ATOM 135 CD GLU A 12 10.056 -12.845 6.414 1.00 0.00 C ATOM 136 OE1 GLU A 12 10.275 -11.909 7.211 1.00 0.00 O ATOM 137 OE2 GLU A 12 9.459 -12.694 5.327 1.00 0.00 O ATOM 0 H GLU A 12 11.753 -12.801 4.937 1.00 0.00 H new ATOM 0 HA GLU A 12 13.961 -13.682 6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.200 -15.225 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.057 -13.529 8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.468 -14.883 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.884 -14.653 7.545 1.00 0.00 H new ATOM 144 N VAL A 13 12.767 -14.876 4.019 1.00 0.00 N ATOM 145 CA VAL A 13 12.881 -15.921 3.008 1.00 0.00 C ATOM 146 C VAL A 13 14.144 -15.741 2.173 1.00 0.00 C ATOM 147 O VAL A 13 14.818 -16.713 1.829 1.00 0.00 O ATOM 148 CB VAL A 13 11.657 -15.934 2.073 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.493 -16.663 2.727 1.00 0.00 C ATOM 150 CG2 VAL A 13 11.263 -14.515 1.693 1.00 0.00 C ATOM 0 H VAL A 13 12.346 -14.009 3.684 1.00 0.00 H new ATOM 0 HA VAL A 13 12.932 -16.872 3.539 1.00 0.00 H new ATOM 0 HB VAL A 13 11.923 -16.469 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.637 -16.662 2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.783 -17.691 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.223 -16.159 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 13 10.397 -14.543 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.015 -13.953 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.095 -14.031 1.181 1.00 0.00 H new ATOM 160 N CYS A 14 14.459 -14.492 1.848 1.00 0.00 N ATOM 161 CA CYS A 14 15.641 -14.182 1.052 1.00 0.00 C ATOM 162 C CYS A 14 16.678 -13.437 1.887 1.00 0.00 C ATOM 163 O CYS A 14 17.881 -13.562 1.658 1.00 0.00 O ATOM 164 CB CYS A 14 15.255 -13.345 -0.169 1.00 0.00 C ATOM 165 SG CYS A 14 14.731 -11.647 0.230 1.00 0.00 S ATOM 0 H CYS A 14 13.912 -13.677 2.124 1.00 0.00 H new ATOM 0 HA CYS A 14 16.079 -15.122 0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 14 16.105 -13.301 -0.850 1.00 0.00 H new ATOM 0 HB3 CYS A 14 14.447 -13.848 -0.700 1.00 0.00 H new ATOM 0 HG CYS A 14 13.646 -11.684 0.946 1.00 0.00 H new ATOM 170 N GLY A 15 16.203 -12.660 2.856 1.00 0.00 N ATOM 171 CA GLY A 15 17.102 -11.906 3.709 1.00 0.00 C ATOM 172 C GLY A 15 17.426 -10.537 3.145 1.00 0.00 C ATOM 173 O GLY A 15 18.522 -10.014 3.352 1.00 0.00 O ATOM 0 H GLY A 15 15.212 -12.540 3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 15 16.652 -11.792 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.026 -12.468 3.844 1.00 0.00 H new ATOM 177 N LYS A 16 16.472 -9.954 2.427 1.00 0.00 N ATOM 178 CA LYS A 16 16.660 -8.637 1.829 1.00 0.00 C ATOM 179 C LYS A 16 16.247 -7.535 2.799 1.00 0.00 C ATOM 180 O LYS A 16 15.576 -7.795 3.799 1.00 0.00 O ATOM 181 CB LYS A 16 15.851 -8.522 0.535 1.00 0.00 C ATOM 182 CG LYS A 16 16.168 -7.275 -0.271 1.00 0.00 C ATOM 183 CD LYS A 16 15.668 -7.393 -1.702 1.00 0.00 C ATOM 184 CE LYS A 16 16.314 -6.354 -2.605 1.00 0.00 C ATOM 185 NZ LYS A 16 15.578 -6.204 -3.891 1.00 0.00 N ATOM 0 H LYS A 16 15.560 -10.373 2.245 1.00 0.00 H new ATOM 0 HA LYS A 16 17.719 -8.517 1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.040 -9.401 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.789 -8.527 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.711 -6.407 0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.245 -7.106 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.883 -8.392 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.585 -7.271 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.345 -5.394 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.346 -6.640 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.049 -5.487 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.570 -7.114 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.600 -5.906 -3.699 1.00 0.00 H new ATOM 199 N CYS A 17 16.651 -6.306 2.498 1.00 0.00 N ATOM 200 CA CYS A 17 16.322 -5.164 3.343 1.00 0.00 C ATOM 201 C CYS A 17 15.301 -4.259 2.662 1.00 0.00 C ATOM 202 O CYS A 17 15.192 -4.242 1.436 1.00 0.00 O ATOM 203 CB CYS A 17 17.585 -4.369 3.676 1.00 0.00 C ATOM 204 SG CYS A 17 17.325 -3.034 4.867 1.00 0.00 S ATOM 0 H CYS A 17 17.207 -6.075 1.675 1.00 0.00 H new ATOM 0 HA CYS A 17 15.885 -5.542 4.267 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.338 -5.052 4.070 1.00 0.00 H new ATOM 0 HB3 CYS A 17 17.989 -3.947 2.756 1.00 0.00 H new ATOM 0 HG CYS A 17 18.451 -2.422 5.085 1.00 0.00 H new ATOM 210 N PHE A 18 14.554 -3.509 3.465 1.00 0.00 N ATOM 211 CA PHE A 18 13.539 -2.603 2.940 1.00 0.00 C ATOM 212 C PHE A 18 13.545 -1.280 3.699 1.00 0.00 C ATOM 213 O PHE A 18 14.264 -1.122 4.687 1.00 0.00 O ATOM 214 CB PHE A 18 12.154 -3.248 3.028 1.00 0.00 C ATOM 215 CG PHE A 18 12.140 -4.694 2.622 1.00 0.00 C ATOM 216 CD1 PHE A 18 12.295 -5.056 1.293 1.00 0.00 C ATOM 217 CD2 PHE A 18 11.971 -5.692 3.569 1.00 0.00 C ATOM 218 CE1 PHE A 18 12.281 -6.386 0.917 1.00 0.00 C ATOM 219 CE2 PHE A 18 11.957 -7.023 3.199 1.00 0.00 C ATOM 220 CZ PHE A 18 12.113 -7.371 1.871 1.00 0.00 C ATOM 0 H PHE A 18 14.632 -3.511 4.482 1.00 0.00 H new ATOM 0 HA PHE A 18 13.773 -2.403 1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.786 -3.162 4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.463 -2.694 2.393 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.428 -4.290 0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.849 -5.426 4.609 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.401 -6.655 -0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.824 -7.791 3.947 1.00 0.00 H new ATOM 0 HZ PHE A 18 12.104 -8.411 1.579 1.00 0.00 H new ATOM 230 N SER A 19 12.740 -0.332 3.232 1.00 0.00 N ATOM 231 CA SER A 19 12.655 0.980 3.863 1.00 0.00 C ATOM 232 C SER A 19 11.377 1.104 4.688 1.00 0.00 C ATOM 233 O SER A 19 11.373 1.712 5.758 1.00 0.00 O ATOM 234 CB SER A 19 12.702 2.083 2.805 1.00 0.00 C ATOM 235 OG SER A 19 14.039 2.401 2.458 1.00 0.00 O ATOM 0 H SER A 19 12.136 -0.448 2.418 1.00 0.00 H new ATOM 0 HA SER A 19 13.510 1.091 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.159 1.762 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.199 2.974 3.181 1.00 0.00 H new ATOM 0 HG SER A 19 14.041 3.107 1.779 1.00 0.00 H new ATOM 241 N ARG A 20 10.295 0.522 4.181 1.00 0.00 N ATOM 242 CA ARG A 20 9.010 0.568 4.869 1.00 0.00 C ATOM 243 C ARG A 20 8.408 -0.828 4.989 1.00 0.00 C ATOM 244 O ARG A 20 8.958 -1.801 4.472 1.00 0.00 O ATOM 245 CB ARG A 20 8.043 1.491 4.126 1.00 0.00 C ATOM 246 CG ARG A 20 8.414 2.962 4.216 1.00 0.00 C ATOM 247 CD ARG A 20 7.807 3.761 3.073 1.00 0.00 C ATOM 248 NE ARG A 20 6.383 4.011 3.275 1.00 0.00 N ATOM 249 CZ ARG A 20 5.628 4.694 2.422 1.00 0.00 C ATOM 250 NH1 ARG A 20 6.159 5.192 1.314 1.00 0.00 N ATOM 251 NH2 ARG A 20 4.339 4.879 2.676 1.00 0.00 N ATOM 0 H ARG A 20 10.282 0.013 3.297 1.00 0.00 H new ATOM 0 HA ARG A 20 9.177 0.960 5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.008 1.198 3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.040 1.353 4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.070 3.367 5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.499 3.066 4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.332 4.712 2.977 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.951 3.221 2.137 1.00 0.00 H new ATOM 0 HE ARG A 20 5.944 3.641 4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.149 5.051 1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.577 5.716 0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.927 4.497 3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.760 5.404 2.020 1.00 0.00 H new ATOM 265 N LYS A 21 7.274 -0.921 5.675 1.00 0.00 N ATOM 266 CA LYS A 21 6.594 -2.197 5.863 1.00 0.00 C ATOM 267 C LYS A 21 5.826 -2.595 4.607 1.00 0.00 C ATOM 268 O LYS A 21 5.596 -3.778 4.357 1.00 0.00 O ATOM 269 CB LYS A 21 5.638 -2.118 7.056 1.00 0.00 C ATOM 270 CG LYS A 21 5.117 -3.472 7.508 1.00 0.00 C ATOM 271 CD LYS A 21 3.831 -3.843 6.788 1.00 0.00 C ATOM 272 CE LYS A 21 2.624 -3.168 7.420 1.00 0.00 C ATOM 273 NZ LYS A 21 1.357 -3.879 7.095 1.00 0.00 N ATOM 0 H LYS A 21 6.806 -0.126 6.111 1.00 0.00 H new ATOM 0 HA LYS A 21 7.350 -2.957 6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.150 -1.638 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.793 -1.482 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.873 -4.235 7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.941 -3.455 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.903 -3.554 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.698 -4.925 6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.753 -3.132 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.561 -2.137 7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.567 -3.203 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.432 -4.307 6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.186 -4.624 7.800 1.00 0.00 H new ATOM 287 N ASP A 22 5.432 -1.599 3.820 1.00 0.00 N ATOM 288 CA ASP A 22 4.692 -1.846 2.588 1.00 0.00 C ATOM 289 C ASP A 22 5.610 -2.399 1.503 1.00 0.00 C ATOM 290 O ASP A 22 5.200 -3.225 0.688 1.00 0.00 O ATOM 291 CB ASP A 22 4.026 -0.558 2.102 1.00 0.00 C ATOM 292 CG ASP A 22 3.246 0.140 3.199 1.00 0.00 C ATOM 293 OD1 ASP A 22 2.707 -0.560 4.081 1.00 0.00 O ATOM 294 OD2 ASP A 22 3.174 1.387 3.175 1.00 0.00 O ATOM 0 H ASP A 22 5.613 -0.614 4.013 1.00 0.00 H new ATOM 0 HA ASP A 22 3.922 -2.588 2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.788 0.118 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.356 -0.789 1.274 1.00 0.00 H new ATOM 299 N LYS A 23 6.856 -1.937 1.498 1.00 0.00 N ATOM 300 CA LYS A 23 7.835 -2.384 0.514 1.00 0.00 C ATOM 301 C LYS A 23 8.012 -3.898 0.573 1.00 0.00 C ATOM 302 O LYS A 23 8.513 -4.512 -0.371 1.00 0.00 O ATOM 303 CB LYS A 23 9.179 -1.693 0.750 1.00 0.00 C ATOM 304 CG LYS A 23 9.113 -0.179 0.636 1.00 0.00 C ATOM 305 CD LYS A 23 9.325 0.282 -0.796 1.00 0.00 C ATOM 306 CE LYS A 23 10.799 0.508 -1.097 1.00 0.00 C ATOM 307 NZ LYS A 23 11.461 -0.731 -1.590 1.00 0.00 N ATOM 0 H LYS A 23 7.212 -1.252 2.165 1.00 0.00 H new ATOM 0 HA LYS A 23 7.466 -2.117 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.545 -1.959 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.904 -2.072 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.144 0.172 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.871 0.269 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.923 -0.463 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.772 1.205 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.900 1.296 -1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.304 0.856 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.299 -0.477 -2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.751 -1.315 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.796 -1.267 -2.183 1.00 0.00 H new ATOM 321 N LEU A 24 7.598 -4.495 1.685 1.00 0.00 N ATOM 322 CA LEU A 24 7.710 -5.938 1.866 1.00 0.00 C ATOM 323 C LEU A 24 6.441 -6.645 1.402 1.00 0.00 C ATOM 324 O LEU A 24 6.500 -7.623 0.655 1.00 0.00 O ATOM 325 CB LEU A 24 7.983 -6.268 3.335 1.00 0.00 C ATOM 326 CG LEU A 24 7.894 -7.745 3.719 1.00 0.00 C ATOM 327 CD1 LEU A 24 9.195 -8.461 3.392 1.00 0.00 C ATOM 328 CD2 LEU A 24 7.558 -7.893 5.196 1.00 0.00 C ATOM 0 H LEU A 24 7.182 -4.002 2.475 1.00 0.00 H new ATOM 0 HA LEU A 24 8.544 -6.292 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.980 -5.907 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.276 -5.710 3.949 1.00 0.00 H new ATOM 0 HG LEU A 24 7.095 -8.204 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.113 -9.511 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.393 -8.385 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.013 -8.001 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.499 -8.951 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.335 -7.418 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.599 -7.416 5.401 1.00 0.00 H new ATOM 340 N LYS A 25 5.294 -6.144 1.847 1.00 0.00 N ATOM 341 CA LYS A 25 4.009 -6.724 1.475 1.00 0.00 C ATOM 342 C LYS A 25 4.007 -7.148 0.010 1.00 0.00 C ATOM 343 O LYS A 25 3.493 -8.211 -0.340 1.00 0.00 O ATOM 344 CB LYS A 25 2.881 -5.722 1.729 1.00 0.00 C ATOM 345 CG LYS A 25 2.421 -5.676 3.176 1.00 0.00 C ATOM 346 CD LYS A 25 0.954 -5.298 3.283 1.00 0.00 C ATOM 347 CE LYS A 25 0.765 -3.789 3.267 1.00 0.00 C ATOM 348 NZ LYS A 25 -0.652 -3.409 3.009 1.00 0.00 N ATOM 0 H LYS A 25 5.228 -5.336 2.467 1.00 0.00 H new ATOM 0 HA LYS A 25 3.846 -7.608 2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.216 -4.728 1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.032 -5.976 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.582 -6.649 3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.025 -4.955 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.401 -5.744 2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.538 -5.708 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.084 -3.373 4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.404 -3.351 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.738 -2.373 3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.949 -3.784 2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.259 -3.805 3.755 1.00 0.00 H new ATOM 362 N THR A 26 4.587 -6.310 -0.845 1.00 0.00 N ATOM 363 CA THR A 26 4.652 -6.598 -2.272 1.00 0.00 C ATOM 364 C THR A 26 5.920 -7.369 -2.620 1.00 0.00 C ATOM 365 O THR A 26 5.966 -8.092 -3.616 1.00 0.00 O ATOM 366 CB THR A 26 4.605 -5.306 -3.108 1.00 0.00 C ATOM 367 OG1 THR A 26 3.419 -4.566 -2.800 1.00 0.00 O ATOM 368 CG2 THR A 26 4.640 -5.622 -4.596 1.00 0.00 C ATOM 0 H THR A 26 5.018 -5.427 -0.573 1.00 0.00 H new ATOM 0 HA THR A 26 3.781 -7.209 -2.511 1.00 0.00 H new ATOM 0 HB THR A 26 5.481 -4.707 -2.860 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.398 -3.745 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.606 -4.694 -5.166 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.558 -6.159 -4.832 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.781 -6.240 -4.857 1.00 0.00 H new ATOM 376 N HIS A 27 6.949 -7.212 -1.792 1.00 0.00 N ATOM 377 CA HIS A 27 8.219 -7.895 -2.012 1.00 0.00 C ATOM 378 C HIS A 27 8.004 -9.395 -2.194 1.00 0.00 C ATOM 379 O HIS A 27 8.666 -10.032 -3.012 1.00 0.00 O ATOM 380 CB HIS A 27 9.168 -7.642 -0.841 1.00 0.00 C ATOM 381 CG HIS A 27 10.464 -8.386 -0.949 1.00 0.00 C ATOM 382 ND1 HIS A 27 11.419 -8.099 -1.900 1.00 0.00 N ATOM 383 CD2 HIS A 27 10.960 -9.410 -0.215 1.00 0.00 C ATOM 384 CE1 HIS A 27 12.447 -8.916 -1.749 1.00 0.00 C ATOM 385 NE2 HIS A 27 12.193 -9.721 -0.733 1.00 0.00 N ATOM 0 H HIS A 27 6.928 -6.618 -0.963 1.00 0.00 H new ATOM 0 HA HIS A 27 8.665 -7.496 -2.923 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.376 -6.574 -0.777 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.671 -7.927 0.087 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.476 -9.892 0.622 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.342 -8.924 -2.353 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.812 -10.455 -0.389 1.00 0.00 H new ATOM 393 N MET A 28 7.075 -9.952 -1.423 1.00 0.00 N ATOM 394 CA MET A 28 6.774 -11.377 -1.500 1.00 0.00 C ATOM 395 C MET A 28 6.461 -11.791 -2.934 1.00 0.00 C ATOM 396 O MET A 28 6.481 -12.976 -3.267 1.00 0.00 O ATOM 397 CB MET A 28 5.594 -11.720 -0.589 1.00 0.00 C ATOM 398 CG MET A 28 5.937 -11.681 0.891 1.00 0.00 C ATOM 399 SD MET A 28 6.617 -13.240 1.488 1.00 0.00 S ATOM 400 CE MET A 28 8.145 -12.679 2.236 1.00 0.00 C ATOM 0 H MET A 28 6.519 -9.439 -0.739 1.00 0.00 H new ATOM 0 HA MET A 28 7.654 -11.927 -1.166 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.780 -11.021 -0.783 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.227 -12.715 -0.842 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.656 -10.882 1.072 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.040 -11.438 1.461 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.681 -13.532 2.652 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.764 -12.195 1.480 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.921 -11.968 3.032 1.00 0.00 H new ATOM 410 N ARG A 29 6.173 -10.806 -3.779 1.00 0.00 N ATOM 411 CA ARG A 29 5.855 -11.069 -5.178 1.00 0.00 C ATOM 412 C ARG A 29 7.029 -11.740 -5.886 1.00 0.00 C ATOM 413 O ARG A 29 6.840 -12.645 -6.700 1.00 0.00 O ATOM 414 CB ARG A 29 5.491 -9.767 -5.893 1.00 0.00 C ATOM 415 CG ARG A 29 4.092 -9.266 -5.573 1.00 0.00 C ATOM 416 CD ARG A 29 3.569 -8.340 -6.660 1.00 0.00 C ATOM 417 NE ARG A 29 2.417 -7.564 -6.210 1.00 0.00 N ATOM 418 CZ ARG A 29 1.644 -6.855 -7.026 1.00 0.00 C ATOM 419 NH1 ARG A 29 1.899 -6.826 -8.327 1.00 0.00 N ATOM 420 NH2 ARG A 29 0.614 -6.175 -6.541 1.00 0.00 N ATOM 0 H ARG A 29 6.153 -9.820 -3.520 1.00 0.00 H new ATOM 0 HA ARG A 29 5.000 -11.745 -5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.214 -8.998 -5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.576 -9.917 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.417 -10.115 -5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.103 -8.739 -4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.363 -7.662 -6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.291 -8.928 -7.534 1.00 0.00 H new ATOM 0 HE ARG A 29 2.193 -7.566 -5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.690 -7.349 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.304 -6.281 -8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.415 -6.196 -5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.021 -5.631 -7.168 1.00 0.00 H new ATOM 434 N CYS A 30 8.238 -11.290 -5.571 1.00 0.00 N ATOM 435 CA CYS A 30 9.442 -11.846 -6.178 1.00 0.00 C ATOM 436 C CYS A 30 9.630 -13.305 -5.776 1.00 0.00 C ATOM 437 O CYS A 30 10.341 -14.058 -6.443 1.00 0.00 O ATOM 438 CB CYS A 30 10.669 -11.030 -5.767 1.00 0.00 C ATOM 439 SG CYS A 30 11.091 -11.163 -4.014 1.00 0.00 S ATOM 0 H CYS A 30 8.411 -10.542 -4.899 1.00 0.00 H new ATOM 0 HA CYS A 30 9.328 -11.798 -7.261 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.523 -11.355 -6.361 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.493 -9.982 -6.009 1.00 0.00 H new ATOM 0 HG CYS A 30 10.081 -10.775 -3.294 1.00 0.00 H new ATOM 445 N HIS A 31 8.989 -13.699 -4.680 1.00 0.00 N ATOM 446 CA HIS A 31 9.085 -15.069 -4.188 1.00 0.00 C ATOM 447 C HIS A 31 7.874 -15.889 -4.622 1.00 0.00 C ATOM 448 O HIS A 31 6.902 -16.021 -3.878 1.00 0.00 O ATOM 449 CB HIS A 31 9.203 -15.078 -2.663 1.00 0.00 C ATOM 450 CG HIS A 31 10.284 -14.183 -2.141 1.00 0.00 C ATOM 451 ND1 HIS A 31 10.300 -13.338 -1.083 1.00 0.00 N flip ATOM 452 CD2 HIS A 31 11.530 -14.089 -2.723 1.00 0.00 C flip ATOM 453 CE1 HIS A 31 11.542 -12.755 -1.046 1.00 0.00 C flip ATOM 454 NE2 HIS A 31 12.266 -13.226 -2.046 1.00 0.00 N flip ATOM 0 H HIS A 31 8.398 -13.089 -4.116 1.00 0.00 H new ATOM 0 HA HIS A 31 9.979 -15.521 -4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.250 -14.773 -2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.393 -16.098 -2.327 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.854 -14.636 -3.596 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.874 -12.029 -0.318 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.229 -12.967 -2.259 1.00 0.00 H new ATOM 535 N TYR A 37 -1.080 -20.745 -11.311 1.00 0.00 N ATOM 536 CA TYR A 37 -2.292 -20.424 -10.567 1.00 0.00 C ATOM 537 C TYR A 37 -1.958 -19.980 -9.147 1.00 0.00 C ATOM 538 O TYR A 37 -1.792 -20.805 -8.248 1.00 0.00 O ATOM 539 CB TYR A 37 -3.227 -21.634 -10.528 1.00 0.00 C ATOM 540 CG TYR A 37 -3.529 -22.211 -11.893 1.00 0.00 C ATOM 541 CD1 TYR A 37 -4.489 -21.635 -12.716 1.00 0.00 C ATOM 542 CD2 TYR A 37 -2.854 -23.332 -12.360 1.00 0.00 C ATOM 543 CE1 TYR A 37 -4.768 -22.158 -13.963 1.00 0.00 C ATOM 544 CE2 TYR A 37 -3.125 -23.861 -13.607 1.00 0.00 C ATOM 545 CZ TYR A 37 -4.083 -23.271 -14.405 1.00 0.00 C ATOM 546 OH TYR A 37 -4.358 -23.796 -15.647 1.00 0.00 O ATOM 0 HA TYR A 37 -2.794 -19.602 -11.077 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.779 -22.409 -9.906 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.163 -21.344 -10.050 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.026 -20.763 -12.374 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.105 -23.798 -11.737 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.518 -21.698 -14.589 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.590 -24.732 -13.955 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.329 -23.854 -15.770 1.00 0.00 H new ATOM 556 N LYS A 38 -1.861 -18.670 -8.951 1.00 0.00 N ATOM 557 CA LYS A 38 -1.549 -18.112 -7.640 1.00 0.00 C ATOM 558 C LYS A 38 -2.584 -17.070 -7.231 1.00 0.00 C ATOM 559 O LYS A 38 -3.059 -16.293 -8.060 1.00 0.00 O ATOM 560 CB LYS A 38 -0.153 -17.484 -7.650 1.00 0.00 C ATOM 561 CG LYS A 38 0.964 -18.488 -7.873 1.00 0.00 C ATOM 562 CD LYS A 38 2.276 -17.797 -8.207 1.00 0.00 C ATOM 563 CE LYS A 38 2.410 -17.548 -9.702 1.00 0.00 C ATOM 564 NZ LYS A 38 3.228 -16.338 -9.991 1.00 0.00 N ATOM 0 H LYS A 38 -1.994 -17.973 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.571 -18.924 -6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.110 -16.726 -8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.013 -16.973 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.090 -19.098 -6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.691 -19.164 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.336 -16.849 -7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.109 -18.410 -7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.867 -18.417 -10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.419 -17.430 -10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.296 -16.202 -11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.779 -15.504 -9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.182 -16.461 -9.594 1.00 0.00 H new ATOM 578 N CYS A 39 -2.930 -17.057 -5.948 1.00 0.00 N ATOM 579 CA CYS A 39 -3.908 -16.109 -5.429 1.00 0.00 C ATOM 580 C CYS A 39 -3.499 -14.674 -5.747 1.00 0.00 C ATOM 581 O CYS A 39 -2.348 -14.408 -6.096 1.00 0.00 O ATOM 582 CB CYS A 39 -4.064 -16.283 -3.916 1.00 0.00 C ATOM 583 SG CYS A 39 -5.591 -15.557 -3.238 1.00 0.00 S ATOM 0 H CYS A 39 -2.547 -17.693 -5.248 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.864 -16.311 -5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.044 -17.347 -3.679 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.207 -15.830 -3.419 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.474 -15.424 -1.950 1.00 0.00 H new ATOM 588 N LYS A 40 -4.448 -13.753 -5.625 1.00 0.00 N ATOM 589 CA LYS A 40 -4.188 -12.345 -5.898 1.00 0.00 C ATOM 590 C LYS A 40 -3.445 -11.693 -4.736 1.00 0.00 C ATOM 591 O LYS A 40 -2.471 -10.966 -4.936 1.00 0.00 O ATOM 592 CB LYS A 40 -5.501 -11.603 -6.158 1.00 0.00 C ATOM 593 CG LYS A 40 -5.322 -10.113 -6.395 1.00 0.00 C ATOM 594 CD LYS A 40 -6.411 -9.557 -7.296 1.00 0.00 C ATOM 595 CE LYS A 40 -7.623 -9.108 -6.494 1.00 0.00 C ATOM 596 NZ LYS A 40 -8.576 -10.226 -6.255 1.00 0.00 N ATOM 0 H LYS A 40 -5.405 -13.957 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.561 -12.284 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.992 -12.044 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.166 -11.750 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.335 -9.588 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.347 -9.930 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.018 -8.715 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.712 -10.317 -8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.295 -8.700 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.132 -8.304 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.434 -9.859 -5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.831 -10.665 -7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.131 -10.936 -5.640 1.00 0.00 H new ATOM 610 N THR A 41 -3.910 -11.959 -3.519 1.00 0.00 N ATOM 611 CA THR A 41 -3.290 -11.399 -2.325 1.00 0.00 C ATOM 612 C THR A 41 -2.455 -12.446 -1.597 1.00 0.00 C ATOM 613 O THR A 41 -1.307 -12.194 -1.230 1.00 0.00 O ATOM 614 CB THR A 41 -4.346 -10.836 -1.355 1.00 0.00 C ATOM 615 OG1 THR A 41 -3.717 -10.004 -0.375 1.00 0.00 O ATOM 616 CG2 THR A 41 -5.100 -11.961 -0.663 1.00 0.00 C ATOM 0 H THR A 41 -4.714 -12.559 -3.335 1.00 0.00 H new ATOM 0 HA THR A 41 -2.642 -10.587 -2.656 1.00 0.00 H new ATOM 0 HB THR A 41 -5.057 -10.244 -1.931 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.395 -9.649 0.237 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.840 -11.539 0.017 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.602 -12.576 -1.410 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.399 -12.576 -0.099 1.00 0.00 H new ATOM 624 N CYS A 42 -3.038 -13.622 -1.390 1.00 0.00 N ATOM 625 CA CYS A 42 -2.347 -14.708 -0.706 1.00 0.00 C ATOM 626 C CYS A 42 -1.167 -15.210 -1.533 1.00 0.00 C ATOM 627 O CYS A 42 -0.960 -14.773 -2.665 1.00 0.00 O ATOM 628 CB CYS A 42 -3.315 -15.860 -0.427 1.00 0.00 C ATOM 629 SG CYS A 42 -4.920 -15.335 0.256 1.00 0.00 S ATOM 0 H CYS A 42 -3.988 -13.847 -1.686 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.967 -14.324 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.488 -16.407 -1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.845 -16.554 0.270 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.194 -16.042 1.312 1.00 0.00 H new ATOM 634 N ASP A 43 -0.398 -16.128 -0.960 1.00 0.00 N ATOM 635 CA ASP A 43 0.761 -16.691 -1.644 1.00 0.00 C ATOM 636 C ASP A 43 0.567 -18.181 -1.905 1.00 0.00 C ATOM 637 O ASP A 43 1.535 -18.937 -1.995 1.00 0.00 O ATOM 638 CB ASP A 43 2.027 -16.465 -0.817 1.00 0.00 C ATOM 639 CG ASP A 43 3.291 -16.759 -1.601 1.00 0.00 C ATOM 640 OD1 ASP A 43 3.335 -16.423 -2.804 1.00 0.00 O ATOM 641 OD2 ASP A 43 4.236 -17.323 -1.013 1.00 0.00 O ATOM 0 H ASP A 43 -0.556 -16.499 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 43 0.868 -16.184 -2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.051 -15.432 -0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.997 -17.099 0.069 1.00 0.00 H new ATOM 646 N TYR A 44 -0.688 -18.597 -2.024 1.00 0.00 N ATOM 647 CA TYR A 44 -1.009 -19.998 -2.271 1.00 0.00 C ATOM 648 C TYR A 44 -0.861 -20.338 -3.751 1.00 0.00 C ATOM 649 O TYR A 44 -1.190 -19.532 -4.620 1.00 0.00 O ATOM 650 CB TYR A 44 -2.433 -20.307 -1.805 1.00 0.00 C ATOM 651 CG TYR A 44 -3.026 -21.541 -2.446 1.00 0.00 C ATOM 652 CD1 TYR A 44 -2.344 -22.752 -2.431 1.00 0.00 C ATOM 653 CD2 TYR A 44 -4.268 -21.497 -3.066 1.00 0.00 C ATOM 654 CE1 TYR A 44 -2.882 -23.882 -3.017 1.00 0.00 C ATOM 655 CE2 TYR A 44 -4.814 -22.622 -3.653 1.00 0.00 C ATOM 656 CZ TYR A 44 -4.117 -23.812 -3.626 1.00 0.00 C ATOM 657 OH TYR A 44 -4.657 -24.935 -4.209 1.00 0.00 O ATOM 0 H TYR A 44 -1.500 -17.984 -1.953 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.308 -20.610 -1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.432 -20.435 -0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -3.072 -19.451 -2.024 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.377 -22.811 -1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.817 -20.567 -3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.338 -24.815 -2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.781 -22.570 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.532 -24.716 -4.593 1.00 0.00 H new ATOM 667 N ALA A 45 -0.365 -21.539 -4.029 1.00 0.00 N ATOM 668 CA ALA A 45 -0.176 -21.989 -5.402 1.00 0.00 C ATOM 669 C ALA A 45 -0.963 -23.266 -5.675 1.00 0.00 C ATOM 670 O ALA A 45 -0.887 -24.229 -4.913 1.00 0.00 O ATOM 671 CB ALA A 45 1.303 -22.207 -5.687 1.00 0.00 C ATOM 0 H ALA A 45 -0.087 -22.218 -3.321 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.553 -21.212 -6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.430 -22.543 -6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.843 -21.272 -5.542 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.697 -22.963 -5.008 1.00 0.00 H new ATOM 677 N ALA A 46 -1.720 -23.266 -6.768 1.00 0.00 N ATOM 678 CA ALA A 46 -2.520 -24.426 -7.142 1.00 0.00 C ATOM 679 C ALA A 46 -2.089 -24.977 -8.497 1.00 0.00 C ATOM 680 O ALA A 46 -1.641 -24.230 -9.367 1.00 0.00 O ATOM 681 CB ALA A 46 -3.998 -24.062 -7.164 1.00 0.00 C ATOM 0 H ALA A 46 -1.796 -22.476 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.359 -25.204 -6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.584 -24.937 -7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.304 -23.723 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.166 -23.265 -7.889 1.00 0.00 H new ATOM 687 N ALA A 47 -2.227 -26.287 -8.669 1.00 0.00 N ATOM 688 CA ALA A 47 -1.853 -26.937 -9.918 1.00 0.00 C ATOM 689 C ALA A 47 -2.911 -26.712 -10.993 1.00 0.00 C ATOM 690 O ALA A 47 -2.619 -26.179 -12.063 1.00 0.00 O ATOM 691 CB ALA A 47 -1.635 -28.426 -9.694 1.00 0.00 C ATOM 0 H ALA A 47 -2.595 -26.919 -7.958 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.920 -26.492 -10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.356 -28.899 -10.636 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.838 -28.571 -8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.555 -28.876 -9.321 1.00 0.00 H new ATOM 697 N ASP A 48 -4.141 -27.122 -10.701 1.00 0.00 N ATOM 698 CA ASP A 48 -5.243 -26.964 -11.643 1.00 0.00 C ATOM 699 C ASP A 48 -5.977 -25.648 -11.405 1.00 0.00 C ATOM 700 O ASP A 48 -5.759 -24.978 -10.395 1.00 0.00 O ATOM 701 CB ASP A 48 -6.219 -28.136 -11.519 1.00 0.00 C ATOM 702 CG ASP A 48 -7.149 -28.242 -12.712 1.00 0.00 C ATOM 703 OD1 ASP A 48 -6.671 -28.608 -13.807 1.00 0.00 O ATOM 704 OD2 ASP A 48 -8.355 -27.961 -12.550 1.00 0.00 O ATOM 0 H ASP A 48 -4.400 -27.566 -9.820 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.828 -26.951 -12.651 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.657 -29.064 -11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.810 -28.019 -10.610 1.00 0.00 H new ATOM 709 N SER A 49 -6.846 -25.283 -12.342 1.00 0.00 N ATOM 710 CA SER A 49 -7.609 -24.045 -12.236 1.00 0.00 C ATOM 711 C SER A 49 -8.718 -24.176 -11.197 1.00 0.00 C ATOM 712 O SER A 49 -8.912 -23.291 -10.365 1.00 0.00 O ATOM 713 CB SER A 49 -8.208 -23.673 -13.594 1.00 0.00 C ATOM 714 OG SER A 49 -7.191 -23.402 -14.543 1.00 0.00 O ATOM 0 H SER A 49 -7.039 -25.827 -13.183 1.00 0.00 H new ATOM 0 HA SER A 49 -6.929 -23.255 -11.917 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.837 -24.488 -13.953 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.850 -22.799 -13.485 1.00 0.00 H new ATOM 0 HG SER A 49 -6.330 -23.311 -14.083 1.00 0.00 H new ATOM 720 N SER A 50 -9.443 -25.289 -11.253 1.00 0.00 N ATOM 721 CA SER A 50 -10.536 -25.536 -10.320 1.00 0.00 C ATOM 722 C SER A 50 -10.017 -25.633 -8.888 1.00 0.00 C ATOM 723 O SER A 50 -10.788 -25.572 -7.931 1.00 0.00 O ATOM 724 CB SER A 50 -11.274 -26.823 -10.694 1.00 0.00 C ATOM 725 OG SER A 50 -10.369 -27.900 -10.858 1.00 0.00 O ATOM 0 H SER A 50 -9.293 -26.033 -11.934 1.00 0.00 H new ATOM 0 HA SER A 50 -11.229 -24.697 -10.382 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.000 -27.068 -9.918 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.833 -26.670 -11.617 1.00 0.00 H new ATOM 0 HG SER A 50 -9.941 -27.837 -11.737 1.00 0.00 H new ATOM 731 N SER A 51 -8.703 -25.783 -8.751 1.00 0.00 N ATOM 732 CA SER A 51 -8.080 -25.892 -7.437 1.00 0.00 C ATOM 733 C SER A 51 -7.957 -24.522 -6.779 1.00 0.00 C ATOM 734 O SER A 51 -8.104 -24.388 -5.563 1.00 0.00 O ATOM 735 CB SER A 51 -6.698 -26.539 -7.558 1.00 0.00 C ATOM 736 OG SER A 51 -6.806 -27.935 -7.776 1.00 0.00 O ATOM 0 H SER A 51 -8.050 -25.832 -9.533 1.00 0.00 H new ATOM 0 HA SER A 51 -8.714 -26.520 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.149 -26.081 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.125 -26.353 -6.650 1.00 0.00 H new ATOM 0 HG SER A 51 -5.910 -28.325 -7.852 1.00 0.00 H new ATOM 742 N LEU A 52 -7.686 -23.505 -7.590 1.00 0.00 N ATOM 743 CA LEU A 52 -7.543 -22.143 -7.088 1.00 0.00 C ATOM 744 C LEU A 52 -8.907 -21.488 -6.892 1.00 0.00 C ATOM 745 O LEU A 52 -9.056 -20.572 -6.086 1.00 0.00 O ATOM 746 CB LEU A 52 -6.698 -21.309 -8.052 1.00 0.00 C ATOM 747 CG LEU A 52 -6.419 -19.867 -7.626 1.00 0.00 C ATOM 748 CD1 LEU A 52 -5.200 -19.806 -6.718 1.00 0.00 C ATOM 749 CD2 LEU A 52 -6.223 -18.979 -8.845 1.00 0.00 C ATOM 0 H LEU A 52 -7.561 -23.598 -8.598 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.041 -22.190 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.743 -21.815 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.199 -21.290 -9.020 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.281 -19.499 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.016 -18.772 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.379 -20.410 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.330 -20.192 -7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.026 -17.957 -8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.379 -19.345 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.124 -18.998 -9.458 1.00 0.00 H new ATOM 761 N ASN A 53 -9.899 -21.968 -7.635 1.00 0.00 N ATOM 762 CA ASN A 53 -11.252 -21.430 -7.542 1.00 0.00 C ATOM 763 C ASN A 53 -11.850 -21.697 -6.164 1.00 0.00 C ATOM 764 O ASN A 53 -12.589 -20.873 -5.626 1.00 0.00 O ATOM 765 CB ASN A 53 -12.142 -22.044 -8.625 1.00 0.00 C ATOM 766 CG ASN A 53 -12.079 -21.274 -9.930 1.00 0.00 C ATOM 767 OD1 ASN A 53 -11.765 -21.836 -10.980 1.00 0.00 O ATOM 768 ND2 ASN A 53 -12.379 -19.982 -9.870 1.00 0.00 N ATOM 0 H ASN A 53 -9.792 -22.727 -8.307 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.199 -20.352 -7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.837 -23.076 -8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.173 -22.072 -8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.355 -19.413 -10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.634 -19.558 -8.978 1.00 0.00 H new ATOM 775 N LYS A 54 -11.524 -22.854 -5.598 1.00 0.00 N ATOM 776 CA LYS A 54 -12.026 -23.230 -4.282 1.00 0.00 C ATOM 777 C LYS A 54 -11.403 -22.362 -3.193 1.00 0.00 C ATOM 778 O LYS A 54 -12.064 -22.004 -2.217 1.00 0.00 O ATOM 779 CB LYS A 54 -11.731 -24.706 -4.004 1.00 0.00 C ATOM 780 CG LYS A 54 -12.769 -25.653 -4.580 1.00 0.00 C ATOM 781 CD LYS A 54 -14.034 -25.673 -3.739 1.00 0.00 C ATOM 782 CE LYS A 54 -13.833 -26.456 -2.450 1.00 0.00 C ATOM 783 NZ LYS A 54 -14.766 -26.009 -1.379 1.00 0.00 N ATOM 0 H LYS A 54 -10.914 -23.548 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.105 -23.073 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.754 -24.957 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.670 -24.859 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.013 -25.351 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.353 -26.659 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.332 -24.651 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.847 -26.117 -4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.984 -27.518 -2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.805 -26.337 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.598 -26.566 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.605 -25.002 -1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.748 -26.147 -1.694 1.00 0.00 H new ATOM 797 N HIS A 55 -10.129 -22.026 -3.367 1.00 0.00 N ATOM 798 CA HIS A 55 -9.418 -21.197 -2.400 1.00 0.00 C ATOM 799 C HIS A 55 -10.073 -19.825 -2.275 1.00 0.00 C ATOM 800 O HIS A 55 -10.040 -19.204 -1.212 1.00 0.00 O ATOM 801 CB HIS A 55 -7.954 -21.041 -2.810 1.00 0.00 C ATOM 802 CG HIS A 55 -7.224 -19.987 -2.035 1.00 0.00 C ATOM 803 ND1 HIS A 55 -7.009 -20.066 -0.675 1.00 0.00 N ATOM 804 CD2 HIS A 55 -6.657 -18.826 -2.438 1.00 0.00 C ATOM 805 CE1 HIS A 55 -6.343 -18.998 -0.275 1.00 0.00 C ATOM 806 NE2 HIS A 55 -6.116 -18.230 -1.325 1.00 0.00 N ATOM 0 H HIS A 55 -9.568 -22.315 -4.168 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.465 -21.692 -1.430 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.445 -21.996 -2.678 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.906 -20.798 -3.872 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.634 -18.440 -3.446 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.036 -18.788 0.739 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -5.620 -17.339 -1.312 1.00 0.00 H new ATOM 814 N LEU A 56 -10.666 -19.356 -3.368 1.00 0.00 N ATOM 815 CA LEU A 56 -11.328 -18.056 -3.381 1.00 0.00 C ATOM 816 C LEU A 56 -12.537 -18.051 -2.451 1.00 0.00 C ATOM 817 O LEU A 56 -12.914 -17.010 -1.912 1.00 0.00 O ATOM 818 CB LEU A 56 -11.762 -17.697 -4.803 1.00 0.00 C ATOM 819 CG LEU A 56 -10.637 -17.512 -5.822 1.00 0.00 C ATOM 820 CD1 LEU A 56 -11.208 -17.198 -7.196 1.00 0.00 C ATOM 821 CD2 LEU A 56 -9.687 -16.412 -5.373 1.00 0.00 C ATOM 0 H LEU A 56 -10.702 -19.856 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.617 -17.310 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.429 -18.479 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -12.343 -16.776 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.076 -18.444 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.393 -17.070 -7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.847 -18.019 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.794 -16.280 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.893 -16.294 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.235 -15.475 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.252 -16.678 -4.410 1.00 0.00 H new ATOM 833 N ARG A 57 -13.139 -19.221 -2.266 1.00 0.00 N ATOM 834 CA ARG A 57 -14.305 -19.352 -1.400 1.00 0.00 C ATOM 835 C ARG A 57 -13.933 -19.088 0.056 1.00 0.00 C ATOM 836 O ARG A 57 -14.554 -18.261 0.725 1.00 0.00 O ATOM 837 CB ARG A 57 -14.914 -20.749 -1.537 1.00 0.00 C ATOM 838 CG ARG A 57 -15.831 -20.898 -2.740 1.00 0.00 C ATOM 839 CD ARG A 57 -16.539 -22.244 -2.737 1.00 0.00 C ATOM 840 NE ARG A 57 -17.703 -22.248 -1.855 1.00 0.00 N ATOM 841 CZ ARG A 57 -18.831 -21.602 -2.125 1.00 0.00 C ATOM 842 NH1 ARG A 57 -18.947 -20.903 -3.245 1.00 0.00 N ATOM 843 NH2 ARG A 57 -19.847 -21.653 -1.272 1.00 0.00 N ATOM 0 H ARG A 57 -12.839 -20.092 -2.704 1.00 0.00 H new ATOM 0 HA ARG A 57 -15.041 -18.610 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.110 -21.481 -1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -15.475 -20.982 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -16.570 -20.097 -2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -15.251 -20.793 -3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -16.852 -22.491 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.842 -23.020 -2.421 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.646 -22.776 -0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.168 -20.860 -3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -19.815 -20.408 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -19.761 -22.189 -0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -20.713 -21.156 -1.480 1.00 0.00 H new ATOM 857 N ILE A 58 -12.918 -19.796 0.540 1.00 0.00 N ATOM 858 CA ILE A 58 -12.464 -19.637 1.916 1.00 0.00 C ATOM 859 C ILE A 58 -12.464 -18.169 2.329 1.00 0.00 C ATOM 860 O ILE A 58 -12.613 -17.844 3.507 1.00 0.00 O ATOM 861 CB ILE A 58 -11.050 -20.214 2.112 1.00 0.00 C ATOM 862 CG1 ILE A 58 -9.994 -19.144 1.826 1.00 0.00 C ATOM 863 CG2 ILE A 58 -10.842 -21.424 1.214 1.00 0.00 C ATOM 864 CD1 ILE A 58 -9.609 -18.334 3.044 1.00 0.00 C ATOM 0 H ILE A 58 -12.395 -20.485 -0.000 1.00 0.00 H new ATOM 0 HA ILE A 58 -13.163 -20.189 2.545 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.945 -20.533 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -9.102 -19.624 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.370 -18.471 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.838 -21.820 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -11.576 -22.191 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.963 -21.129 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.857 -17.595 2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.490 -17.826 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.202 -18.997 3.808 1.00 0.00 H new ATOM 876 N HIS A 59 -12.297 -17.285 1.350 1.00 0.00 N ATOM 877 CA HIS A 59 -12.280 -15.850 1.611 1.00 0.00 C ATOM 878 C HIS A 59 -13.680 -15.340 1.940 1.00 0.00 C ATOM 879 O HIS A 59 -14.298 -14.636 1.141 1.00 0.00 O ATOM 880 CB HIS A 59 -11.721 -15.097 0.404 1.00 0.00 C ATOM 881 CG HIS A 59 -10.266 -15.356 0.157 1.00 0.00 C ATOM 882 ND1 HIS A 59 -9.380 -15.685 1.160 1.00 0.00 N ATOM 883 CD2 HIS A 59 -9.545 -15.334 -0.988 1.00 0.00 C ATOM 884 CE1 HIS A 59 -8.176 -15.853 0.644 1.00 0.00 C ATOM 885 NE2 HIS A 59 -8.249 -15.646 -0.659 1.00 0.00 N ATOM 0 H HIS A 59 -12.172 -17.537 0.370 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.636 -15.671 2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.287 -15.379 -0.484 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -11.871 -14.028 0.552 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -9.919 -15.112 -1.977 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.284 -16.115 1.193 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.469 -15.708 -1.314 1.00 0.00 H new ATOM 955 N PRO A 64 -20.502 -11.340 3.361 1.00 0.00 N ATOM 956 CA PRO A 64 -21.263 -12.194 4.277 1.00 0.00 C ATOM 957 C PRO A 64 -22.451 -12.864 3.594 1.00 0.00 C ATOM 958 O PRO A 64 -22.920 -13.915 4.031 1.00 0.00 O ATOM 959 CB PRO A 64 -21.746 -11.219 5.354 1.00 0.00 C ATOM 960 CG PRO A 64 -21.781 -9.893 4.676 1.00 0.00 C ATOM 961 CD PRO A 64 -20.658 -9.910 3.676 1.00 0.00 C ATOM 0 HA PRO A 64 -20.659 -13.014 4.665 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -22.731 -11.498 5.728 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -21.071 -11.208 6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -22.740 -9.732 4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -21.652 -9.084 5.395 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -20.902 -9.327 2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -19.743 -9.488 4.092 1.00 0.00 H new ATOM 969 N PHE A 65 -22.933 -12.248 2.519 1.00 0.00 N ATOM 970 CA PHE A 65 -24.067 -12.785 1.775 1.00 0.00 C ATOM 971 C PHE A 65 -23.616 -13.359 0.435 1.00 0.00 C ATOM 972 O PHE A 65 -22.617 -12.922 -0.136 1.00 0.00 O ATOM 973 CB PHE A 65 -25.117 -11.695 1.548 1.00 0.00 C ATOM 974 CG PHE A 65 -26.092 -11.556 2.682 1.00 0.00 C ATOM 975 CD1 PHE A 65 -27.091 -12.497 2.873 1.00 0.00 C ATOM 976 CD2 PHE A 65 -26.008 -10.486 3.558 1.00 0.00 C ATOM 977 CE1 PHE A 65 -27.990 -12.371 3.915 1.00 0.00 C ATOM 978 CE2 PHE A 65 -26.904 -10.355 4.602 1.00 0.00 C ATOM 979 CZ PHE A 65 -27.896 -11.299 4.782 1.00 0.00 C ATOM 0 H PHE A 65 -22.556 -11.377 2.144 1.00 0.00 H new ATOM 0 HA PHE A 65 -24.508 -13.589 2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -24.612 -10.741 1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -25.666 -11.916 0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -27.168 -13.338 2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -25.233 -9.746 3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -28.766 -13.110 4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -26.829 -9.515 5.277 1.00 0.00 H new ATOM 0 HZ PHE A 65 -28.596 -11.200 5.598 1.00 0.00 H new ATOM 989 N LYS A 66 -24.359 -14.342 -0.060 1.00 0.00 N ATOM 990 CA LYS A 66 -24.039 -14.978 -1.333 1.00 0.00 C ATOM 991 C LYS A 66 -25.309 -15.366 -2.083 1.00 0.00 C ATOM 992 O LYS A 66 -26.366 -15.551 -1.480 1.00 0.00 O ATOM 993 CB LYS A 66 -23.171 -16.218 -1.103 1.00 0.00 C ATOM 994 CG LYS A 66 -21.872 -15.924 -0.373 1.00 0.00 C ATOM 995 CD LYS A 66 -22.038 -16.043 1.132 1.00 0.00 C ATOM 996 CE LYS A 66 -20.696 -15.994 1.847 1.00 0.00 C ATOM 997 NZ LYS A 66 -20.013 -17.316 1.835 1.00 0.00 N ATOM 0 H LYS A 66 -25.188 -14.716 0.401 1.00 0.00 H new ATOM 0 HA LYS A 66 -23.485 -14.261 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -23.742 -16.950 -0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.942 -16.674 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -21.100 -16.615 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -21.532 -14.919 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.674 -15.235 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -22.544 -16.978 1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.057 -15.251 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.845 -15.672 2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.102 -17.241 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.611 -18.020 2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.848 -17.612 0.852 1.00 0.00 H new ATOM 1011 N CYS A 67 -25.198 -15.487 -3.401 1.00 0.00 N ATOM 1012 CA CYS A 67 -26.337 -15.854 -4.234 1.00 0.00 C ATOM 1013 C CYS A 67 -26.318 -17.346 -4.556 1.00 0.00 C ATOM 1014 O CYS A 67 -25.260 -17.974 -4.567 1.00 0.00 O ATOM 1015 CB CYS A 67 -26.330 -15.042 -5.531 1.00 0.00 C ATOM 1016 SG CYS A 67 -27.506 -15.637 -6.788 1.00 0.00 S ATOM 0 H CYS A 67 -24.330 -15.336 -3.916 1.00 0.00 H new ATOM 0 HA CYS A 67 -27.248 -15.631 -3.678 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -26.560 -14.002 -5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -25.325 -15.059 -5.952 1.00 0.00 H new ATOM 0 HG CYS A 67 -28.355 -14.693 -7.069 1.00 0.00 H new ATOM 1021 N GLN A 68 -27.496 -17.904 -4.816 1.00 0.00 N ATOM 1022 CA GLN A 68 -27.614 -19.321 -5.138 1.00 0.00 C ATOM 1023 C GLN A 68 -27.210 -19.588 -6.584 1.00 0.00 C ATOM 1024 O GLN A 68 -26.266 -20.333 -6.847 1.00 0.00 O ATOM 1025 CB GLN A 68 -29.047 -19.802 -4.899 1.00 0.00 C ATOM 1026 CG GLN A 68 -29.321 -20.210 -3.461 1.00 0.00 C ATOM 1027 CD GLN A 68 -30.531 -21.113 -3.330 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -31.393 -21.146 -4.209 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -30.602 -21.853 -2.230 1.00 0.00 N ATOM 0 H GLN A 68 -28.381 -17.397 -4.810 1.00 0.00 H new ATOM 0 HA GLN A 68 -26.938 -19.873 -4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -29.739 -19.009 -5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -29.250 -20.650 -5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -28.446 -20.721 -3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -29.473 -19.316 -2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -29.865 -21.794 -1.527 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -31.394 -22.480 -2.088 1.00 0.00 H new ATOM 1038 N ILE A 69 -27.930 -18.975 -7.517 1.00 0.00 N ATOM 1039 CA ILE A 69 -27.646 -19.145 -8.936 1.00 0.00 C ATOM 1040 C ILE A 69 -26.174 -18.883 -9.237 1.00 0.00 C ATOM 1041 O ILE A 69 -25.465 -19.758 -9.734 1.00 0.00 O ATOM 1042 CB ILE A 69 -28.510 -18.208 -9.800 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -29.995 -18.510 -9.590 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -28.138 -18.349 -11.269 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -30.590 -17.810 -8.388 1.00 0.00 C ATOM 0 H ILE A 69 -28.715 -18.356 -7.315 1.00 0.00 H new ATOM 0 HA ILE A 69 -27.887 -20.179 -9.184 1.00 0.00 H new ATOM 0 HB ILE A 69 -28.321 -17.179 -9.494 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -30.547 -18.215 -10.482 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -30.126 -19.586 -9.475 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -28.757 -17.680 -11.867 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -27.088 -18.090 -11.405 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -28.302 -19.378 -11.589 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -31.645 -18.070 -8.301 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -30.063 -18.124 -7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -30.491 -16.731 -8.509 1.00 0.00 H new ATOM 1057 N CYS A 70 -25.720 -17.672 -8.930 1.00 0.00 N ATOM 1058 CA CYS A 70 -24.332 -17.293 -9.166 1.00 0.00 C ATOM 1059 C CYS A 70 -23.591 -17.095 -7.847 1.00 0.00 C ATOM 1060 O CYS A 70 -24.180 -16.760 -6.819 1.00 0.00 O ATOM 1061 CB CYS A 70 -24.266 -16.011 -9.998 1.00 0.00 C ATOM 1062 SG CYS A 70 -24.932 -14.541 -9.153 1.00 0.00 S ATOM 0 H CYS A 70 -26.293 -16.936 -8.517 1.00 0.00 H new ATOM 0 HA CYS A 70 -23.849 -18.101 -9.716 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -23.228 -15.821 -10.271 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -24.817 -16.164 -10.926 1.00 0.00 H new ATOM 0 HG CYS A 70 -25.850 -14.905 -8.308 1.00 0.00 H new ATOM 1067 N PRO A 71 -22.267 -17.307 -7.875 1.00 0.00 N ATOM 1068 CA PRO A 71 -21.416 -17.157 -6.691 1.00 0.00 C ATOM 1069 C PRO A 71 -21.273 -15.701 -6.260 1.00 0.00 C ATOM 1070 O PRO A 71 -20.544 -15.391 -5.317 1.00 0.00 O ATOM 1071 CB PRO A 71 -20.066 -17.713 -7.151 1.00 0.00 C ATOM 1072 CG PRO A 71 -20.068 -17.538 -8.630 1.00 0.00 C ATOM 1073 CD PRO A 71 -21.498 -17.708 -9.065 1.00 0.00 C ATOM 0 HA PRO A 71 -21.831 -17.671 -5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -19.238 -17.174 -6.690 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -19.956 -18.762 -6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -19.690 -16.554 -8.907 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -19.424 -18.274 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -21.733 -17.082 -9.925 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -21.711 -18.738 -9.353 1.00 0.00 H new ATOM 1081 N TYR A 72 -21.973 -14.812 -6.955 1.00 0.00 N ATOM 1082 CA TYR A 72 -21.922 -13.388 -6.645 1.00 0.00 C ATOM 1083 C TYR A 72 -21.998 -13.155 -5.140 1.00 0.00 C ATOM 1084 O TYR A 72 -22.309 -14.067 -4.374 1.00 0.00 O ATOM 1085 CB TYR A 72 -23.066 -12.652 -7.345 1.00 0.00 C ATOM 1086 CG TYR A 72 -23.236 -11.221 -6.886 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -22.347 -10.232 -7.288 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -24.284 -10.859 -6.049 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -22.497 -8.924 -6.871 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -24.443 -9.553 -5.627 1.00 0.00 C ATOM 1091 CZ TYR A 72 -23.547 -8.589 -6.041 1.00 0.00 C ATOM 1092 OH TYR A 72 -23.701 -7.287 -5.622 1.00 0.00 O ATOM 0 H TYR A 72 -22.583 -15.052 -7.737 1.00 0.00 H new ATOM 0 HA TYR A 72 -20.971 -12.997 -7.007 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -22.889 -12.661 -8.420 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -23.996 -13.194 -7.171 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -21.524 -10.491 -7.938 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -24.987 -11.611 -5.723 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -21.796 -8.168 -7.193 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -25.264 -9.288 -4.977 1.00 0.00 H new ATOM 0 HH TYR A 72 -24.600 -7.167 -5.250 1.00 0.00 H new ATOM 1102 N ALA A 73 -21.712 -11.926 -4.722 1.00 0.00 N ATOM 1103 CA ALA A 73 -21.750 -11.571 -3.309 1.00 0.00 C ATOM 1104 C ALA A 73 -21.909 -10.065 -3.126 1.00 0.00 C ATOM 1105 O ALA A 73 -21.380 -9.276 -3.908 1.00 0.00 O ATOM 1106 CB ALA A 73 -20.491 -12.060 -2.608 1.00 0.00 C ATOM 0 H ALA A 73 -21.451 -11.159 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 73 -22.615 -12.059 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -20.533 -11.788 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -20.421 -13.144 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -19.617 -11.599 -3.067 1.00 0.00 H new ATOM 1112 N SER A 74 -22.642 -9.675 -2.088 1.00 0.00 N ATOM 1113 CA SER A 74 -22.875 -8.263 -1.805 1.00 0.00 C ATOM 1114 C SER A 74 -22.813 -7.993 -0.305 1.00 0.00 C ATOM 1115 O SER A 74 -23.220 -8.827 0.504 1.00 0.00 O ATOM 1116 CB SER A 74 -24.233 -7.828 -2.358 1.00 0.00 C ATOM 1117 OG SER A 74 -25.291 -8.296 -1.539 1.00 0.00 O ATOM 0 H SER A 74 -23.084 -10.316 -1.429 1.00 0.00 H new ATOM 0 HA SER A 74 -22.090 -7.685 -2.293 1.00 0.00 H new ATOM 0 HB2 SER A 74 -24.272 -6.741 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 74 -24.356 -8.211 -3.371 1.00 0.00 H new ATOM 0 HG SER A 74 -26.148 -8.003 -1.913 1.00 0.00 H new ATOM 1123 N ARG A 75 -22.301 -6.822 0.058 1.00 0.00 N ATOM 1124 CA ARG A 75 -22.184 -6.440 1.461 1.00 0.00 C ATOM 1125 C ARG A 75 -23.481 -5.815 1.964 1.00 0.00 C ATOM 1126 O ARG A 75 -23.462 -4.828 2.698 1.00 0.00 O ATOM 1127 CB ARG A 75 -21.025 -5.460 1.650 1.00 0.00 C ATOM 1128 CG ARG A 75 -19.668 -6.135 1.764 1.00 0.00 C ATOM 1129 CD ARG A 75 -18.571 -5.131 2.081 1.00 0.00 C ATOM 1130 NE ARG A 75 -18.653 -4.646 3.456 1.00 0.00 N ATOM 1131 CZ ARG A 75 -18.110 -3.505 3.866 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -17.451 -2.736 3.012 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -18.227 -3.132 5.134 1.00 0.00 N ATOM 0 H ARG A 75 -21.960 -6.121 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.986 -7.341 2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.007 -4.766 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.203 -4.868 2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -19.703 -6.895 2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -19.435 -6.647 0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -17.598 -5.594 1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -18.642 -4.287 1.394 1.00 0.00 H new ATOM 0 HE ARG A 75 -19.154 -5.214 4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.359 -3.019 2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.035 -1.861 3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.734 -3.721 5.794 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.810 -2.256 5.448 1.00 0.00 H new ATOM 1147 N ASN A 76 -24.607 -6.396 1.562 1.00 0.00 N ATOM 1148 CA ASN A 76 -25.914 -5.894 1.972 1.00 0.00 C ATOM 1149 C ASN A 76 -26.991 -6.957 1.774 1.00 0.00 C ATOM 1150 O ASN A 76 -26.711 -8.058 1.299 1.00 0.00 O ATOM 1151 CB ASN A 76 -26.272 -4.636 1.179 1.00 0.00 C ATOM 1152 CG ASN A 76 -25.135 -3.632 1.143 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -25.036 -2.759 2.005 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -24.271 -3.753 0.142 1.00 0.00 N ATOM 0 H ASN A 76 -24.641 -7.214 0.953 1.00 0.00 H new ATOM 0 HA ASN A 76 -25.864 -5.645 3.032 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -26.538 -4.916 0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -27.152 -4.169 1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -23.486 -3.107 0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -24.393 -4.492 -0.550 1.00 0.00 H new ATOM 1161 N SER A 77 -28.223 -6.618 2.140 1.00 0.00 N ATOM 1162 CA SER A 77 -29.342 -7.544 2.006 1.00 0.00 C ATOM 1163 C SER A 77 -30.218 -7.168 0.815 1.00 0.00 C ATOM 1164 O SER A 77 -30.619 -8.026 0.029 1.00 0.00 O ATOM 1165 CB SER A 77 -30.179 -7.555 3.287 1.00 0.00 C ATOM 1166 OG SER A 77 -30.757 -6.284 3.529 1.00 0.00 O ATOM 0 H SER A 77 -28.472 -5.710 2.531 1.00 0.00 H new ATOM 0 HA SER A 77 -28.938 -8.542 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 77 -30.965 -8.306 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 77 -29.552 -7.840 4.132 1.00 0.00 H new ATOM 0 HG SER A 77 -31.288 -6.318 4.352 1.00 0.00 H new ATOM 1172 N SER A 78 -30.512 -5.878 0.689 1.00 0.00 N ATOM 1173 CA SER A 78 -31.345 -5.387 -0.403 1.00 0.00 C ATOM 1174 C SER A 78 -30.676 -5.639 -1.751 1.00 0.00 C ATOM 1175 O SER A 78 -31.262 -6.257 -2.640 1.00 0.00 O ATOM 1176 CB SER A 78 -31.620 -3.892 -0.230 1.00 0.00 C ATOM 1177 OG SER A 78 -32.317 -3.638 0.978 1.00 0.00 O ATOM 0 H SER A 78 -30.186 -5.154 1.329 1.00 0.00 H new ATOM 0 HA SER A 78 -32.291 -5.929 -0.378 1.00 0.00 H new ATOM 0 HB2 SER A 78 -30.678 -3.343 -0.232 1.00 0.00 H new ATOM 0 HB3 SER A 78 -32.204 -3.526 -1.074 1.00 0.00 H new ATOM 0 HG SER A 78 -32.479 -2.676 1.066 1.00 0.00 H new ATOM 1183 N GLN A 79 -29.446 -5.156 -1.894 1.00 0.00 N ATOM 1184 CA GLN A 79 -28.698 -5.329 -3.134 1.00 0.00 C ATOM 1185 C GLN A 79 -28.896 -6.731 -3.699 1.00 0.00 C ATOM 1186 O GLN A 79 -29.073 -6.907 -4.905 1.00 0.00 O ATOM 1187 CB GLN A 79 -27.209 -5.068 -2.896 1.00 0.00 C ATOM 1188 CG GLN A 79 -26.905 -3.649 -2.443 1.00 0.00 C ATOM 1189 CD GLN A 79 -26.671 -2.703 -3.605 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -26.999 -3.015 -4.750 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -26.102 -1.539 -3.315 1.00 0.00 N ATOM 0 H GLN A 79 -28.947 -4.642 -1.168 1.00 0.00 H new ATOM 0 HA GLN A 79 -29.075 -4.609 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -26.842 -5.767 -2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -26.661 -5.272 -3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -27.734 -3.279 -1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -26.023 -3.657 -1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -25.847 -1.322 -2.352 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -25.920 -0.862 -4.056 1.00 0.00 H new ATOM 1200 N LEU A 80 -28.866 -7.727 -2.821 1.00 0.00 N ATOM 1201 CA LEU A 80 -29.042 -9.116 -3.232 1.00 0.00 C ATOM 1202 C LEU A 80 -30.445 -9.346 -3.785 1.00 0.00 C ATOM 1203 O LEU A 80 -30.619 -9.996 -4.816 1.00 0.00 O ATOM 1204 CB LEU A 80 -28.787 -10.054 -2.051 1.00 0.00 C ATOM 1205 CG LEU A 80 -28.981 -11.546 -2.326 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -27.863 -12.077 -3.209 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -29.047 -12.324 -1.020 1.00 0.00 C ATOM 0 H LEU A 80 -28.721 -7.599 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 80 -28.321 -9.330 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -27.766 -9.899 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -29.449 -9.766 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 80 -29.926 -11.679 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -28.019 -13.140 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.863 -11.540 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -26.905 -11.932 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -29.185 -13.384 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -28.119 -12.184 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -29.884 -11.962 -0.423 1.00 0.00 H new ATOM 1219 N THR A 81 -31.444 -8.806 -3.094 1.00 0.00 N ATOM 1220 CA THR A 81 -32.832 -8.951 -3.516 1.00 0.00 C ATOM 1221 C THR A 81 -33.017 -8.500 -4.960 1.00 0.00 C ATOM 1222 O THR A 81 -33.539 -9.244 -5.791 1.00 0.00 O ATOM 1223 CB THR A 81 -33.781 -8.143 -2.611 1.00 0.00 C ATOM 1224 OG1 THR A 81 -33.547 -8.470 -1.237 1.00 0.00 O ATOM 1225 CG2 THR A 81 -35.234 -8.424 -2.964 1.00 0.00 C ATOM 0 H THR A 81 -31.318 -8.264 -2.239 1.00 0.00 H new ATOM 0 HA THR A 81 -33.079 -10.010 -3.435 1.00 0.00 H new ATOM 0 HB THR A 81 -33.583 -7.083 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 81 -34.154 -7.950 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 81 -35.886 -7.843 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 81 -35.417 -8.145 -4.002 1.00 0.00 H new ATOM 0 HG23 THR A 81 -35.442 -9.486 -2.831 1.00 0.00 H new ATOM 1233 N VAL A 82 -32.586 -7.278 -5.253 1.00 0.00 N ATOM 1234 CA VAL A 82 -32.703 -6.728 -6.599 1.00 0.00 C ATOM 1235 C VAL A 82 -31.863 -7.523 -7.592 1.00 0.00 C ATOM 1236 O VAL A 82 -32.297 -7.792 -8.713 1.00 0.00 O ATOM 1237 CB VAL A 82 -32.269 -5.251 -6.642 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -32.353 -4.711 -8.061 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -33.118 -4.418 -5.694 1.00 0.00 C ATOM 0 H VAL A 82 -32.152 -6.649 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 82 -33.754 -6.798 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 82 -31.231 -5.186 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -32.043 -3.666 -8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -31.697 -5.291 -8.710 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -33.379 -4.788 -8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -32.797 -3.377 -5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -34.165 -4.487 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -33.001 -4.792 -4.677 1.00 0.00 H new ATOM 1249 N HIS A 83 -30.658 -7.897 -7.173 1.00 0.00 N ATOM 1250 CA HIS A 83 -29.756 -8.663 -8.026 1.00 0.00 C ATOM 1251 C HIS A 83 -30.451 -9.906 -8.573 1.00 0.00 C ATOM 1252 O HIS A 83 -30.419 -10.170 -9.776 1.00 0.00 O ATOM 1253 CB HIS A 83 -28.503 -9.066 -7.248 1.00 0.00 C ATOM 1254 CG HIS A 83 -27.879 -10.337 -7.734 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -26.770 -10.365 -8.555 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -28.212 -11.629 -7.510 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -26.450 -11.620 -8.815 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -27.309 -12.407 -8.193 1.00 0.00 N ATOM 0 H HIS A 83 -30.284 -7.682 -6.249 1.00 0.00 H new ATOM 0 HA HIS A 83 -29.465 -8.031 -8.865 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -27.770 -8.262 -7.315 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -28.760 -9.177 -6.194 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -29.035 -11.983 -6.906 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -25.626 -11.947 -9.432 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -27.303 -13.427 -8.216 1.00 0.00 H new ATOM 1266 N LEU A 84 -31.077 -10.668 -7.683 1.00 0.00 N ATOM 1267 CA LEU A 84 -31.780 -11.885 -8.076 1.00 0.00 C ATOM 1268 C LEU A 84 -32.607 -11.653 -9.337 1.00 0.00 C ATOM 1269 O LEU A 84 -32.435 -12.345 -10.340 1.00 0.00 O ATOM 1270 CB LEU A 84 -32.684 -12.365 -6.940 1.00 0.00 C ATOM 1271 CG LEU A 84 -31.972 -12.891 -5.693 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -32.909 -12.870 -4.495 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -31.444 -14.298 -5.934 1.00 0.00 C ATOM 0 H LEU A 84 -31.112 -10.465 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 84 -31.036 -12.653 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -33.331 -11.539 -6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -33.330 -13.154 -7.325 1.00 0.00 H new ATOM 0 HG LEU A 84 -31.126 -12.238 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -32.385 -13.248 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -33.239 -11.848 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -33.775 -13.499 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -30.940 -14.656 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -32.274 -14.962 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -30.739 -14.285 -6.765 1.00 0.00 H new ATOM 1285 N ARG A 85 -33.504 -10.674 -9.278 1.00 0.00 N ATOM 1286 CA ARG A 85 -34.357 -10.349 -10.414 1.00 0.00 C ATOM 1287 C ARG A 85 -33.600 -10.519 -11.728 1.00 0.00 C ATOM 1288 O ARG A 85 -34.113 -11.106 -12.680 1.00 0.00 O ATOM 1289 CB ARG A 85 -34.879 -8.916 -10.295 1.00 0.00 C ATOM 1290 CG ARG A 85 -36.131 -8.793 -9.442 1.00 0.00 C ATOM 1291 CD ARG A 85 -35.831 -9.045 -7.973 1.00 0.00 C ATOM 1292 NE ARG A 85 -36.872 -8.506 -7.102 1.00 0.00 N ATOM 1293 CZ ARG A 85 -38.084 -9.039 -6.987 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -38.404 -10.120 -7.685 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -38.977 -8.491 -6.174 1.00 0.00 N ATOM 0 H ARG A 85 -33.659 -10.092 -8.455 1.00 0.00 H new ATOM 0 HA ARG A 85 -35.202 -11.037 -10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -34.097 -8.287 -9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -35.090 -8.531 -11.293 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -36.558 -7.797 -9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -36.880 -9.505 -9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -35.734 -10.117 -7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -34.873 -8.593 -7.716 1.00 0.00 H new ATOM 0 HE ARG A 85 -36.657 -7.675 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -37.720 -10.544 -8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -39.335 -10.528 -7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -38.734 -7.659 -5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -39.907 -8.901 -6.087 1.00 0.00 H new ATOM 1309 N SER A 86 -32.377 -10.000 -11.772 1.00 0.00 N ATOM 1310 CA SER A 86 -31.551 -10.090 -12.970 1.00 0.00 C ATOM 1311 C SER A 86 -31.676 -11.467 -13.614 1.00 0.00 C ATOM 1312 O SER A 86 -31.928 -11.584 -14.813 1.00 0.00 O ATOM 1313 CB SER A 86 -30.087 -9.804 -12.628 1.00 0.00 C ATOM 1314 OG SER A 86 -29.297 -9.721 -13.802 1.00 0.00 O ATOM 0 H SER A 86 -31.936 -9.513 -10.992 1.00 0.00 H new ATOM 0 HA SER A 86 -31.903 -9.343 -13.681 1.00 0.00 H new ATOM 0 HB2 SER A 86 -30.016 -8.870 -12.071 1.00 0.00 H new ATOM 0 HB3 SER A 86 -29.701 -10.591 -11.981 1.00 0.00 H new ATOM 0 HG SER A 86 -28.366 -9.536 -13.558 1.00 0.00 H new ATOM 1320 N HIS A 87 -31.496 -12.509 -12.808 1.00 0.00 N ATOM 1321 CA HIS A 87 -31.589 -13.879 -13.297 1.00 0.00 C ATOM 1322 C HIS A 87 -32.937 -14.127 -13.967 1.00 0.00 C ATOM 1323 O HIS A 87 -33.001 -14.574 -15.113 1.00 0.00 O ATOM 1324 CB HIS A 87 -31.388 -14.868 -12.149 1.00 0.00 C ATOM 1325 CG HIS A 87 -30.033 -14.783 -11.515 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -28.865 -14.712 -12.244 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -29.665 -14.757 -10.213 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -27.836 -14.647 -11.418 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -28.295 -14.672 -10.179 1.00 0.00 N ATOM 0 H HIS A 87 -31.285 -12.430 -11.813 1.00 0.00 H new ATOM 0 HA HIS A 87 -30.802 -14.028 -14.037 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -32.148 -14.688 -11.388 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -31.543 -15.881 -12.521 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -28.805 -14.710 -13.262 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -30.326 -14.796 -9.360 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -26.797 -14.584 -11.706 1.00 0.00 H new