USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 657 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 NoAdj-H: A 79 HIS HD1 : A 79 HIS ND1 : A 138 ZNZN :(H bumps) USER MOD NoAdj-H: A 102 HIS HE2 : A 102 HIS NE2 : A 139 ZNZN :(H bumps) USER MOD Set 1.1: A 73 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.3!) USER MOD Set 1.2: A 99 SER OG : rot -50:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.833 K(o=-0.83,f=-1.8) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -167:sc= -0.138 (180deg=-0.243) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 145:sc= -0.372 (180deg=-1.58!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.24) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 26:sc= 0.819 USER MOD Single : A 88 SER OG : rot -55:sc= 0.633 USER MOD Single : A 91 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.2!) USER MOD Single : A 92 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.9!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -1.42 K(o=-1.4,f=-5!) USER MOD Single : A 105 GLN : amide:sc= -0.0927 X(o=-0.093,f=-0.0072) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= -0.187 USER MOD Single : A 121 HIS : no HD1:sc= -0.162 K(o=-0.16,f=-1.5) USER MOD Single : A 122 ASN : amide:sc= -0.0727 K(o=-0.073,f=-0.78) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 51 -7.276 25.048 1.640 1.00 0.00 N ATOM 2 CA LEU A 51 -7.013 24.246 0.416 1.00 0.00 C ATOM 3 C LEU A 51 -7.970 23.064 0.316 1.00 0.00 C ATOM 4 O LEU A 51 -8.248 22.391 1.308 1.00 0.00 O ATOM 5 CB LEU A 51 -5.565 23.752 0.460 1.00 0.00 C ATOM 6 CG LEU A 51 -4.542 24.683 -0.194 1.00 0.00 C ATOM 7 CD1 LEU A 51 -4.783 24.772 -1.694 1.00 0.00 C ATOM 8 CD2 LEU A 51 -4.600 26.066 0.439 1.00 0.00 C ATOM 0 HA LEU A 51 -7.171 24.871 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.281 23.599 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.514 22.780 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.547 24.270 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.046 25.438 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.692 23.780 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.784 25.161 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.866 26.716 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.597 26.486 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.379 25.989 1.503 1.00 0.00 H new ATOM 20 N ARG A 52 -8.473 22.817 -0.889 1.00 0.00 N ATOM 21 CA ARG A 52 -9.403 21.714 -1.118 1.00 0.00 C ATOM 22 C ARG A 52 -9.013 20.924 -2.363 1.00 0.00 C ATOM 23 O ARG A 52 -9.806 20.780 -3.295 1.00 0.00 O ATOM 24 CB ARG A 52 -10.830 22.247 -1.261 1.00 0.00 C ATOM 25 CG ARG A 52 -11.287 23.087 -0.079 1.00 0.00 C ATOM 26 CD ARG A 52 -12.010 22.244 0.959 1.00 0.00 C ATOM 27 NE ARG A 52 -11.173 21.974 2.126 1.00 0.00 N ATOM 28 CZ ARG A 52 -10.769 22.910 2.981 1.00 0.00 C ATOM 29 NH1 ARG A 52 -11.123 24.178 2.805 1.00 0.00 N ATOM 30 NH2 ARG A 52 -10.009 22.580 4.015 1.00 0.00 N ATOM 0 H ARG A 52 -8.254 23.364 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.357 21.046 -0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.896 22.846 -2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.512 21.406 -1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.424 23.570 0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.948 23.880 -0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.918 22.758 1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.319 21.301 0.508 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.881 21.011 2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.708 24.439 2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.810 24.891 3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.733 21.608 4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.700 23.298 4.670 1.00 0.00 H new ATOM 44 N LEU A 53 -7.788 20.410 -2.373 1.00 0.00 N ATOM 45 CA LEU A 53 -7.293 19.630 -3.503 1.00 0.00 C ATOM 46 C LEU A 53 -7.219 18.147 -3.153 1.00 0.00 C ATOM 47 O LEU A 53 -6.443 17.397 -3.745 1.00 0.00 O ATOM 48 CB LEU A 53 -5.913 20.132 -3.934 1.00 0.00 C ATOM 49 CG LEU A 53 -5.699 21.640 -3.794 1.00 0.00 C ATOM 50 CD1 LEU A 53 -4.215 21.969 -3.767 1.00 0.00 C ATOM 51 CD2 LEU A 53 -6.391 22.384 -4.926 1.00 0.00 C ATOM 0 H LEU A 53 -7.119 20.519 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.992 19.756 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.155 19.617 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.751 19.853 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.139 21.963 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.083 23.046 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.746 21.466 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.750 21.631 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.228 23.456 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.981 22.056 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.460 22.175 -4.899 1.00 0.00 H new ATOM 63 N CYS A 54 -8.031 17.730 -2.187 1.00 0.00 N ATOM 64 CA CYS A 54 -8.058 16.337 -1.757 1.00 0.00 C ATOM 65 C CYS A 54 -8.745 15.460 -2.800 1.00 0.00 C ATOM 66 O CYS A 54 -9.793 15.820 -3.335 1.00 0.00 O ATOM 67 CB CYS A 54 -8.778 16.211 -0.413 1.00 0.00 C ATOM 68 SG CYS A 54 -8.785 14.536 0.269 1.00 0.00 S ATOM 0 H CYS A 54 -8.680 18.338 -1.687 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.029 15.997 -1.643 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.305 16.882 0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.808 16.547 -0.532 1.00 0.00 H new ATOM 73 N GLN A 55 -8.146 14.308 -3.084 1.00 0.00 N ATOM 74 CA GLN A 55 -8.699 13.380 -4.064 1.00 0.00 C ATOM 75 C GLN A 55 -9.980 12.735 -3.542 1.00 0.00 C ATOM 76 O GLN A 55 -10.898 12.445 -4.310 1.00 0.00 O ATOM 77 CB GLN A 55 -7.674 12.299 -4.409 1.00 0.00 C ATOM 78 CG GLN A 55 -7.261 11.451 -3.218 1.00 0.00 C ATOM 79 CD GLN A 55 -6.022 10.622 -3.495 1.00 0.00 C ATOM 80 OE1 GLN A 55 -6.046 9.701 -4.311 1.00 0.00 O ATOM 81 NE2 GLN A 55 -4.928 10.946 -2.814 1.00 0.00 N ATOM 0 H GLN A 55 -7.278 13.995 -2.650 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.939 13.944 -4.965 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.088 11.650 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.788 12.772 -4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.076 12.099 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.083 10.789 -2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.952 11.717 -2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.064 10.424 -2.958 1.00 0.00 H new ATOM 90 N VAL A 56 -10.034 12.513 -2.234 1.00 0.00 N ATOM 91 CA VAL A 56 -11.202 11.901 -1.610 1.00 0.00 C ATOM 92 C VAL A 56 -12.449 12.751 -1.828 1.00 0.00 C ATOM 93 O VAL A 56 -12.391 13.981 -1.782 1.00 0.00 O ATOM 94 CB VAL A 56 -10.993 11.699 -0.097 1.00 0.00 C ATOM 95 CG1 VAL A 56 -12.149 10.911 0.503 1.00 0.00 C ATOM 96 CG2 VAL A 56 -9.667 11.002 0.174 1.00 0.00 C ATOM 0 H VAL A 56 -9.283 12.747 -1.585 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.338 10.928 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.965 12.679 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.983 10.779 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.081 11.454 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.212 9.935 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.539 10.869 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.661 10.028 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.850 11.609 -0.216 1.00 0.00 H new ATOM 106 N ASP A 57 -13.577 12.089 -2.065 1.00 0.00 N ATOM 107 CA ASP A 57 -14.838 12.784 -2.289 1.00 0.00 C ATOM 108 C ASP A 57 -15.579 13.002 -0.974 1.00 0.00 C ATOM 109 O ASP A 57 -15.344 12.296 0.007 1.00 0.00 O ATOM 110 CB ASP A 57 -15.717 11.990 -3.257 1.00 0.00 C ATOM 111 CG ASP A 57 -15.538 12.433 -4.697 1.00 0.00 C ATOM 112 OD1 ASP A 57 -15.802 13.617 -4.991 1.00 0.00 O ATOM 113 OD2 ASP A 57 -15.132 11.595 -5.529 1.00 0.00 O ATOM 0 H ASP A 57 -13.643 11.072 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.615 13.757 -2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.479 10.930 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.763 12.105 -2.972 1.00 0.00 H new ATOM 118 N ARG A 58 -16.473 13.984 -0.960 1.00 0.00 N ATOM 119 CA ARG A 58 -17.248 14.296 0.235 1.00 0.00 C ATOM 120 C ARG A 58 -16.335 14.700 1.391 1.00 0.00 C ATOM 121 O ARG A 58 -16.690 14.542 2.558 1.00 0.00 O ATOM 122 CB ARG A 58 -18.102 13.095 0.644 1.00 0.00 C ATOM 123 CG ARG A 58 -19.449 13.038 -0.060 1.00 0.00 C ATOM 124 CD ARG A 58 -20.000 11.621 -0.099 1.00 0.00 C ATOM 125 NE ARG A 58 -21.417 11.574 0.251 1.00 0.00 N ATOM 126 CZ ARG A 58 -22.399 11.887 -0.590 1.00 0.00 C ATOM 127 NH1 ARG A 58 -22.122 12.272 -1.831 1.00 0.00 N ATOM 128 NH2 ARG A 58 -23.661 11.817 -0.191 1.00 0.00 N ATOM 0 H ARG A 58 -16.679 14.578 -1.763 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.901 15.137 0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.551 12.179 0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -18.265 13.126 1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -20.156 13.690 0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.345 13.417 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -19.859 11.205 -1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -19.435 10.994 0.591 1.00 0.00 H new ATOM 0 HE ARG A 58 -21.669 11.284 1.196 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -21.153 12.329 -2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -22.879 12.511 -2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -23.879 11.523 0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -24.414 12.057 -0.836 1.00 0.00 H new ATOM 142 N CYS A 59 -15.159 15.223 1.058 1.00 0.00 N ATOM 143 CA CYS A 59 -14.199 15.649 2.070 1.00 0.00 C ATOM 144 C CYS A 59 -14.561 17.025 2.619 1.00 0.00 C ATOM 145 O CYS A 59 -15.065 17.882 1.891 1.00 0.00 O ATOM 146 CB CYS A 59 -12.786 15.676 1.482 1.00 0.00 C ATOM 147 SG CYS A 59 -11.511 16.218 2.646 1.00 0.00 S ATOM 0 H CYS A 59 -14.848 15.362 0.096 1.00 0.00 H new ATOM 0 HA CYS A 59 -14.230 14.932 2.890 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.534 14.678 1.123 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.777 16.338 0.616 1.00 0.00 H new ATOM 152 N THR A 60 -14.299 17.231 3.905 1.00 0.00 N ATOM 153 CA THR A 60 -14.594 18.503 4.551 1.00 0.00 C ATOM 154 C THR A 60 -13.639 18.768 5.712 1.00 0.00 C ATOM 155 O THR A 60 -13.962 19.514 6.636 1.00 0.00 O ATOM 156 CB THR A 60 -16.041 18.544 5.077 1.00 0.00 C ATOM 157 OG1 THR A 60 -16.302 17.393 5.889 1.00 0.00 O ATOM 158 CG2 THR A 60 -17.034 18.593 3.924 1.00 0.00 C ATOM 0 H THR A 60 -13.883 16.532 4.520 1.00 0.00 H new ATOM 0 HA THR A 60 -14.466 19.277 3.794 1.00 0.00 H new ATOM 0 HB THR A 60 -16.160 19.445 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 60 -17.224 17.429 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.049 18.621 4.319 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.853 19.486 3.325 1.00 0.00 H new ATOM 0 HG23 THR A 60 -16.912 17.707 3.301 1.00 0.00 H new ATOM 166 N ALA A 61 -12.462 18.152 5.659 1.00 0.00 N ATOM 167 CA ALA A 61 -11.461 18.324 6.706 1.00 0.00 C ATOM 168 C ALA A 61 -10.537 19.496 6.396 1.00 0.00 C ATOM 169 O ALA A 61 -10.369 19.876 5.238 1.00 0.00 O ATOM 170 CB ALA A 61 -10.657 17.046 6.881 1.00 0.00 C ATOM 0 H ALA A 61 -12.178 17.530 4.902 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.980 18.544 7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.914 17.188 7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.325 16.231 7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.155 16.801 5.945 1.00 0.00 H new ATOM 176 N ASP A 62 -9.942 20.066 7.439 1.00 0.00 N ATOM 177 CA ASP A 62 -9.034 21.196 7.277 1.00 0.00 C ATOM 178 C ASP A 62 -7.745 20.763 6.586 1.00 0.00 C ATOM 179 O ASP A 62 -7.064 19.843 7.039 1.00 0.00 O ATOM 180 CB ASP A 62 -8.712 21.817 8.638 1.00 0.00 C ATOM 181 CG ASP A 62 -8.357 23.287 8.533 1.00 0.00 C ATOM 182 OD1 ASP A 62 -9.085 24.025 7.837 1.00 0.00 O ATOM 183 OD2 ASP A 62 -7.350 23.700 9.145 1.00 0.00 O ATOM 0 H ASP A 62 -10.072 19.764 8.405 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.528 21.941 6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.570 21.700 9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.882 21.277 9.093 1.00 0.00 H new ATOM 188 N MET A 63 -7.417 21.433 5.487 1.00 0.00 N ATOM 189 CA MET A 63 -6.209 21.117 4.732 1.00 0.00 C ATOM 190 C MET A 63 -5.434 22.387 4.388 1.00 0.00 C ATOM 191 O MET A 63 -4.751 22.452 3.367 1.00 0.00 O ATOM 192 CB MET A 63 -6.567 20.355 3.453 1.00 0.00 C ATOM 193 CG MET A 63 -6.291 18.863 3.536 1.00 0.00 C ATOM 194 SD MET A 63 -5.560 18.205 2.025 1.00 0.00 S ATOM 195 CE MET A 63 -3.816 18.445 2.358 1.00 0.00 C ATOM 0 H MET A 63 -7.970 22.198 5.099 1.00 0.00 H new ATOM 0 HA MET A 63 -5.574 20.486 5.354 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.623 20.509 3.232 1.00 0.00 H new ATOM 0 HB3 MET A 63 -6.003 20.775 2.620 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.621 18.668 4.374 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.223 18.336 3.743 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.247 18.306 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.653 19.454 2.736 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.485 17.721 3.103 1.00 0.00 H new ATOM 205 N LYS A 64 -5.544 23.393 5.249 1.00 0.00 N ATOM 206 CA LYS A 64 -4.854 24.659 5.036 1.00 0.00 C ATOM 207 C LYS A 64 -3.346 24.491 5.198 1.00 0.00 C ATOM 208 O LYS A 64 -2.568 24.928 4.353 1.00 0.00 O ATOM 209 CB LYS A 64 -5.371 25.716 6.015 1.00 0.00 C ATOM 210 CG LYS A 64 -5.528 27.094 5.393 1.00 0.00 C ATOM 211 CD LYS A 64 -6.965 27.355 4.970 1.00 0.00 C ATOM 212 CE LYS A 64 -7.047 28.438 3.906 1.00 0.00 C ATOM 213 NZ LYS A 64 -7.486 29.743 4.474 1.00 0.00 N ATOM 0 H LYS A 64 -6.104 23.356 6.101 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.056 24.988 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.334 25.393 6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.686 25.783 6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.214 27.855 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.872 27.180 4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.405 26.434 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.552 27.652 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.072 28.557 3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.743 28.129 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.529 30.454 3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.428 29.636 4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.808 30.051 5.200 1.00 0.00 H new ATOM 227 N GLU A 65 -2.943 23.852 6.292 1.00 0.00 N ATOM 228 CA GLU A 65 -1.528 23.625 6.566 1.00 0.00 C ATOM 229 C GLU A 65 -1.335 22.387 7.437 1.00 0.00 C ATOM 230 O GLU A 65 -1.223 22.486 8.659 1.00 0.00 O ATOM 231 CB GLU A 65 -0.917 24.847 7.254 1.00 0.00 C ATOM 232 CG GLU A 65 -1.180 26.152 6.522 1.00 0.00 C ATOM 233 CD GLU A 65 -0.334 27.295 7.046 1.00 0.00 C ATOM 234 OE1 GLU A 65 0.904 27.238 6.890 1.00 0.00 O ATOM 235 OE2 GLU A 65 -0.909 28.247 7.616 1.00 0.00 O ATOM 0 H GLU A 65 -3.575 23.483 7.002 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.021 23.462 5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.316 24.921 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.159 24.702 7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.980 26.015 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.234 26.412 6.617 1.00 0.00 H new ATOM 242 N ALA A 66 -1.298 21.222 6.799 1.00 0.00 N ATOM 243 CA ALA A 66 -1.119 19.965 7.516 1.00 0.00 C ATOM 244 C ALA A 66 0.360 19.661 7.731 1.00 0.00 C ATOM 245 O ALA A 66 0.898 19.880 8.817 1.00 0.00 O ATOM 246 CB ALA A 66 -1.789 18.827 6.760 1.00 0.00 C ATOM 0 H ALA A 66 -1.389 21.122 5.788 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.589 20.063 8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.648 17.894 7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.855 19.033 6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.345 18.738 5.769 1.00 0.00 H new ATOM 252 N LYS A 67 1.011 19.159 6.690 1.00 0.00 N ATOM 253 CA LYS A 67 2.429 18.824 6.761 1.00 0.00 C ATOM 254 C LYS A 67 3.027 18.700 5.364 1.00 0.00 C ATOM 255 O LYS A 67 2.320 18.416 4.397 1.00 0.00 O ATOM 256 CB LYS A 67 2.627 17.516 7.531 1.00 0.00 C ATOM 257 CG LYS A 67 4.033 17.342 8.084 1.00 0.00 C ATOM 258 CD LYS A 67 4.032 17.266 9.603 1.00 0.00 C ATOM 259 CE LYS A 67 5.347 17.761 10.185 1.00 0.00 C ATOM 260 NZ LYS A 67 5.732 19.091 9.637 1.00 0.00 N ATOM 0 H LYS A 67 0.580 18.974 5.784 1.00 0.00 H new ATOM 0 HA LYS A 67 2.942 19.629 7.287 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.914 17.478 8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.398 16.678 6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.476 16.434 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.657 18.175 7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.210 17.863 9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.858 16.237 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.262 17.826 11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.134 17.038 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.207 19.647 10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.378 18.961 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.880 19.595 9.318 1.00 0.00 H new ATOM 274 N LEU A 68 4.337 18.916 5.265 1.00 0.00 N ATOM 275 CA LEU A 68 5.034 18.830 3.986 1.00 0.00 C ATOM 276 C LEU A 68 4.752 17.497 3.296 1.00 0.00 C ATOM 277 O LEU A 68 4.801 17.399 2.069 1.00 0.00 O ATOM 278 CB LEU A 68 6.542 19.006 4.192 1.00 0.00 C ATOM 279 CG LEU A 68 7.174 20.153 3.401 1.00 0.00 C ATOM 280 CD1 LEU A 68 8.320 20.773 4.182 1.00 0.00 C ATOM 281 CD2 LEU A 68 7.655 19.659 2.044 1.00 0.00 C ATOM 0 H LEU A 68 4.936 19.152 6.056 1.00 0.00 H new ATOM 0 HA LEU A 68 4.665 19.631 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.732 19.169 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.042 18.077 3.918 1.00 0.00 H new ATOM 0 HG LEU A 68 6.417 20.920 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.757 21.587 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.946 21.161 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.080 20.016 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.102 20.486 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.398 18.874 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.810 19.263 1.481 1.00 0.00 H new ATOM 293 N TYR A 69 4.457 16.473 4.090 1.00 0.00 N ATOM 294 CA TYR A 69 4.167 15.149 3.554 1.00 0.00 C ATOM 295 C TYR A 69 2.732 15.071 3.043 1.00 0.00 C ATOM 296 O TYR A 69 2.431 14.314 2.121 1.00 0.00 O ATOM 297 CB TYR A 69 4.398 14.080 4.626 1.00 0.00 C ATOM 298 CG TYR A 69 4.229 12.667 4.118 1.00 0.00 C ATOM 299 CD1 TYR A 69 5.191 12.081 3.306 1.00 0.00 C ATOM 300 CD2 TYR A 69 3.107 11.918 4.451 1.00 0.00 C ATOM 301 CE1 TYR A 69 5.040 10.788 2.839 1.00 0.00 C ATOM 302 CE2 TYR A 69 2.950 10.625 3.991 1.00 0.00 C ATOM 303 CZ TYR A 69 3.918 10.064 3.185 1.00 0.00 C ATOM 304 OH TYR A 69 3.766 8.778 2.723 1.00 0.00 O ATOM 0 H TYR A 69 4.413 16.535 5.107 1.00 0.00 H new ATOM 0 HA TYR A 69 4.842 14.967 2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.404 14.194 5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.703 14.247 5.449 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.072 12.644 3.035 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.345 12.354 5.080 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.797 10.347 2.207 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.073 10.056 4.261 1.00 0.00 H new ATOM 0 HH TYR A 69 2.923 8.407 3.058 1.00 0.00 H new ATOM 314 N HIS A 70 1.850 15.861 3.649 1.00 0.00 N ATOM 315 CA HIS A 70 0.446 15.883 3.253 1.00 0.00 C ATOM 316 C HIS A 70 0.160 17.059 2.325 1.00 0.00 C ATOM 317 O HIS A 70 -0.953 17.586 2.299 1.00 0.00 O ATOM 318 CB HIS A 70 -0.453 15.963 4.487 1.00 0.00 C ATOM 319 CG HIS A 70 -0.588 14.659 5.214 1.00 0.00 C ATOM 320 ND1 HIS A 70 -0.397 14.531 6.572 1.00 0.00 N ATOM 321 CD2 HIS A 70 -0.901 13.421 4.762 1.00 0.00 C ATOM 322 CE1 HIS A 70 -0.582 13.272 6.925 1.00 0.00 C ATOM 323 NE2 HIS A 70 -0.890 12.578 5.846 1.00 0.00 N ATOM 0 H HIS A 70 2.083 16.493 4.415 1.00 0.00 H new ATOM 0 HA HIS A 70 0.232 14.959 2.716 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.052 16.711 5.171 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.443 16.305 4.184 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.119 13.148 3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.496 12.878 7.927 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.088 11.578 5.821 1.00 0.00 H new ATOM 331 N ARG A 71 1.170 17.466 1.563 1.00 0.00 N ATOM 332 CA ARG A 71 1.027 18.579 0.632 1.00 0.00 C ATOM 333 C ARG A 71 1.110 18.092 -0.812 1.00 0.00 C ATOM 334 O ARG A 71 0.111 18.079 -1.531 1.00 0.00 O ATOM 335 CB ARG A 71 2.107 19.631 0.890 1.00 0.00 C ATOM 336 CG ARG A 71 1.697 20.686 1.906 1.00 0.00 C ATOM 337 CD ARG A 71 2.495 21.968 1.728 1.00 0.00 C ATOM 338 NE ARG A 71 2.086 23.003 2.676 1.00 0.00 N ATOM 339 CZ ARG A 71 2.375 22.972 3.974 1.00 0.00 C ATOM 340 NH1 ARG A 71 3.070 21.963 4.484 1.00 0.00 N ATOM 341 NH2 ARG A 71 1.967 23.955 4.768 1.00 0.00 N ATOM 0 H ARG A 71 2.097 17.041 1.572 1.00 0.00 H new ATOM 0 HA ARG A 71 0.047 19.029 0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.011 19.133 1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.357 20.122 -0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.633 20.900 1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.846 20.300 2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.556 21.756 1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.366 22.337 0.710 1.00 0.00 H new ATOM 0 HE ARG A 71 1.548 23.794 2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.386 21.205 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.288 21.946 5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.432 24.733 4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.188 23.932 5.763 1.00 0.00 H new ATOM 355 N ARG A 72 2.308 17.694 -1.230 1.00 0.00 N ATOM 356 CA ARG A 72 2.523 17.206 -2.589 1.00 0.00 C ATOM 357 C ARG A 72 1.536 16.093 -2.936 1.00 0.00 C ATOM 358 O ARG A 72 1.140 15.938 -4.092 1.00 0.00 O ATOM 359 CB ARG A 72 3.964 16.705 -2.756 1.00 0.00 C ATOM 360 CG ARG A 72 4.244 15.377 -2.066 1.00 0.00 C ATOM 361 CD ARG A 72 5.586 14.801 -2.492 1.00 0.00 C ATOM 362 NE ARG A 72 5.433 13.695 -3.434 1.00 0.00 N ATOM 363 CZ ARG A 72 6.454 13.065 -4.011 1.00 0.00 C ATOM 364 NH1 ARG A 72 7.702 13.428 -3.745 1.00 0.00 N ATOM 365 NH2 ARG A 72 6.226 12.068 -4.854 1.00 0.00 N ATOM 0 H ARG A 72 3.145 17.700 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 72 2.355 18.037 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.181 16.603 -3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.647 17.458 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.234 15.518 -0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.451 14.668 -2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.189 15.586 -2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.128 14.455 -1.612 1.00 0.00 H new ATOM 0 HE ARG A 72 4.488 13.387 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.883 14.193 -3.095 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.480 12.942 -4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.268 11.784 -5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.008 11.585 -5.296 1.00 0.00 H new ATOM 379 N HIS A 73 1.140 15.326 -1.926 1.00 0.00 N ATOM 380 CA HIS A 73 0.197 14.232 -2.121 1.00 0.00 C ATOM 381 C HIS A 73 -1.240 14.745 -2.136 1.00 0.00 C ATOM 382 O HIS A 73 -2.122 14.133 -2.737 1.00 0.00 O ATOM 383 CB HIS A 73 0.367 13.182 -1.022 1.00 0.00 C ATOM 384 CG HIS A 73 1.634 12.394 -1.139 1.00 0.00 C ATOM 385 ND1 HIS A 73 2.478 12.486 -2.228 1.00 0.00 N ATOM 386 CD2 HIS A 73 2.203 11.497 -0.299 1.00 0.00 C ATOM 387 CE1 HIS A 73 3.509 11.678 -2.051 1.00 0.00 C ATOM 388 NE2 HIS A 73 3.367 11.067 -0.889 1.00 0.00 N ATOM 0 H HIS A 73 1.458 15.442 -0.964 1.00 0.00 H new ATOM 0 HA HIS A 73 0.407 13.773 -3.087 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.345 13.677 -0.051 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.481 12.498 -1.050 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.814 11.179 0.657 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.329 11.541 -2.740 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.016 10.386 -0.494 1.00 0.00 H new ATOM 396 N LYS A 74 -1.468 15.873 -1.470 1.00 0.00 N ATOM 397 CA LYS A 74 -2.799 16.469 -1.408 1.00 0.00 C ATOM 398 C LYS A 74 -3.794 15.518 -0.750 1.00 0.00 C ATOM 399 O LYS A 74 -4.894 15.303 -1.260 1.00 0.00 O ATOM 400 CB LYS A 74 -3.277 16.841 -2.813 1.00 0.00 C ATOM 401 CG LYS A 74 -2.598 18.080 -3.379 1.00 0.00 C ATOM 402 CD LYS A 74 -1.953 17.800 -4.728 1.00 0.00 C ATOM 403 CE LYS A 74 -2.837 18.263 -5.874 1.00 0.00 C ATOM 404 NZ LYS A 74 -2.168 18.102 -7.195 1.00 0.00 N ATOM 0 H LYS A 74 -0.749 16.392 -0.966 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.739 17.373 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.098 16.000 -3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.354 17.006 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.330 18.880 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.840 18.432 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.989 18.305 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.759 16.732 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.767 17.695 -5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.102 19.310 -5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.805 18.429 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.293 18.665 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.938 17.099 -7.348 1.00 0.00 H new ATOM 418 N VAL A 75 -3.400 14.953 0.385 1.00 0.00 N ATOM 419 CA VAL A 75 -4.259 14.026 1.114 1.00 0.00 C ATOM 420 C VAL A 75 -4.293 14.363 2.601 1.00 0.00 C ATOM 421 O VAL A 75 -3.351 14.949 3.137 1.00 0.00 O ATOM 422 CB VAL A 75 -3.791 12.568 0.934 1.00 0.00 C ATOM 423 CG1 VAL A 75 -2.381 12.383 1.476 1.00 0.00 C ATOM 424 CG2 VAL A 75 -4.760 11.607 1.610 1.00 0.00 C ATOM 0 H VAL A 75 -2.493 15.120 0.820 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.262 14.129 0.700 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.776 12.343 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.071 11.347 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.696 13.041 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.364 12.629 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.413 10.583 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.812 11.832 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.750 11.717 1.167 1.00 0.00 H new ATOM 434 N CYS A 76 -5.384 13.991 3.263 1.00 0.00 N ATOM 435 CA CYS A 76 -5.542 14.255 4.689 1.00 0.00 C ATOM 436 C CYS A 76 -5.009 13.094 5.522 1.00 0.00 C ATOM 437 O CYS A 76 -5.033 11.943 5.085 1.00 0.00 O ATOM 438 CB CYS A 76 -7.014 14.502 5.022 1.00 0.00 C ATOM 439 SG CYS A 76 -7.820 15.715 3.952 1.00 0.00 S ATOM 0 H CYS A 76 -6.172 13.506 2.835 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.965 15.147 4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.554 13.558 4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.090 14.839 6.056 1.00 0.00 H new ATOM 444 N GLU A 77 -4.536 13.403 6.724 1.00 0.00 N ATOM 445 CA GLU A 77 -4.004 12.382 7.619 1.00 0.00 C ATOM 446 C GLU A 77 -5.080 11.360 7.968 1.00 0.00 C ATOM 447 O GLU A 77 -4.791 10.179 8.157 1.00 0.00 O ATOM 448 CB GLU A 77 -3.458 13.025 8.895 1.00 0.00 C ATOM 449 CG GLU A 77 -2.519 12.121 9.677 1.00 0.00 C ATOM 450 CD GLU A 77 -1.445 12.896 10.416 1.00 0.00 C ATOM 451 OE1 GLU A 77 -1.795 13.856 11.136 1.00 0.00 O ATOM 452 OE2 GLU A 77 -0.255 12.543 10.275 1.00 0.00 O ATOM 0 H GLU A 77 -4.510 14.350 7.101 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.190 11.869 7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.931 13.943 8.633 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.293 13.309 9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.096 11.535 10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.047 11.415 8.994 1.00 0.00 H new ATOM 459 N VAL A 78 -6.323 11.825 8.049 1.00 0.00 N ATOM 460 CA VAL A 78 -7.446 10.953 8.370 1.00 0.00 C ATOM 461 C VAL A 78 -7.838 10.106 7.165 1.00 0.00 C ATOM 462 O VAL A 78 -8.307 8.977 7.313 1.00 0.00 O ATOM 463 CB VAL A 78 -8.672 11.762 8.836 1.00 0.00 C ATOM 464 CG1 VAL A 78 -9.732 10.838 9.413 1.00 0.00 C ATOM 465 CG2 VAL A 78 -8.263 12.820 9.851 1.00 0.00 C ATOM 0 H VAL A 78 -6.577 12.801 7.897 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.122 10.302 9.182 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.098 12.271 7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.590 11.426 9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.047 10.125 8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.319 10.299 10.266 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.143 13.380 10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.809 12.338 10.717 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.543 13.501 9.397 1.00 0.00 H new ATOM 475 N HIS A 79 -7.642 10.660 5.974 1.00 0.00 N ATOM 476 CA HIS A 79 -7.974 9.959 4.739 1.00 0.00 C ATOM 477 C HIS A 79 -6.824 9.059 4.297 1.00 0.00 C ATOM 478 O HIS A 79 -7.038 8.041 3.637 1.00 0.00 O ATOM 479 CB HIS A 79 -8.307 10.962 3.633 1.00 0.00 C ATOM 480 CG HIS A 79 -9.732 11.423 3.656 1.00 0.00 C ATOM 481 ND1 HIS A 79 -10.121 12.695 3.293 1.00 0.00 N ATOM 482 CD2 HIS A 79 -10.868 10.770 4.002 1.00 0.00 C ATOM 483 CE1 HIS A 79 -11.432 12.808 3.417 1.00 0.00 C ATOM 484 NE2 HIS A 79 -11.908 11.653 3.845 1.00 0.00 N ATOM 0 H HIS A 79 -7.254 11.594 5.837 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.847 9.334 4.929 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.651 11.828 3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.096 10.507 2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.942 9.746 4.338 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.014 13.693 3.205 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.890 11.449 4.029 1.00 0.00 H new ATOM 491 N ALA A 80 -5.604 9.437 4.666 1.00 0.00 N ATOM 492 CA ALA A 80 -4.422 8.663 4.308 1.00 0.00 C ATOM 493 C ALA A 80 -4.313 7.402 5.159 1.00 0.00 C ATOM 494 O ALA A 80 -4.021 6.320 4.647 1.00 0.00 O ATOM 495 CB ALA A 80 -3.170 9.513 4.459 1.00 0.00 C ATOM 0 H ALA A 80 -5.409 10.275 5.213 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.519 8.359 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.295 8.923 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.239 10.381 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.078 9.845 5.493 1.00 0.00 H new ATOM 501 N LYS A 81 -4.547 7.548 6.459 1.00 0.00 N ATOM 502 CA LYS A 81 -4.474 6.419 7.381 1.00 0.00 C ATOM 503 C LYS A 81 -5.869 5.909 7.728 1.00 0.00 C ATOM 504 O LYS A 81 -6.122 5.483 8.853 1.00 0.00 O ATOM 505 CB LYS A 81 -3.734 6.824 8.656 1.00 0.00 C ATOM 506 CG LYS A 81 -2.230 6.618 8.577 1.00 0.00 C ATOM 507 CD LYS A 81 -1.562 6.871 9.920 1.00 0.00 C ATOM 508 CE LYS A 81 -1.628 8.340 10.305 1.00 0.00 C ATOM 509 NZ LYS A 81 -0.540 8.717 11.247 1.00 0.00 N ATOM 0 H LYS A 81 -4.789 8.436 6.898 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.925 5.615 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.938 7.874 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.128 6.248 9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.018 5.600 8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.809 7.288 7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.048 6.270 10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.521 6.551 9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.559 8.954 9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.594 8.552 10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.621 9.726 11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.620 8.150 12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.383 8.539 10.801 1.00 0.00 H new ATOM 523 N ALA A 82 -6.770 5.955 6.753 1.00 0.00 N ATOM 524 CA ALA A 82 -8.140 5.497 6.956 1.00 0.00 C ATOM 525 C ALA A 82 -8.279 4.017 6.622 1.00 0.00 C ATOM 526 O ALA A 82 -7.633 3.513 5.703 1.00 0.00 O ATOM 527 CB ALA A 82 -9.102 6.323 6.114 1.00 0.00 C ATOM 0 H ALA A 82 -6.577 6.305 5.814 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.389 5.630 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.121 5.971 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.031 7.371 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.844 6.219 5.060 1.00 0.00 H new ATOM 533 N SER A 83 -9.129 3.324 7.372 1.00 0.00 N ATOM 534 CA SER A 83 -9.355 1.899 7.156 1.00 0.00 C ATOM 535 C SER A 83 -10.106 1.662 5.849 1.00 0.00 C ATOM 536 O SER A 83 -9.889 0.659 5.169 1.00 0.00 O ATOM 537 CB SER A 83 -10.138 1.302 8.328 1.00 0.00 C ATOM 538 OG SER A 83 -9.336 0.402 9.071 1.00 0.00 O ATOM 0 H SER A 83 -9.673 3.726 8.135 1.00 0.00 H new ATOM 0 HA SER A 83 -8.385 1.406 7.091 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.491 2.102 8.979 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.020 0.783 7.953 1.00 0.00 H new ATOM 0 HG SER A 83 -9.859 0.036 9.815 1.00 0.00 H new ATOM 544 N SER A 84 -10.990 2.593 5.504 1.00 0.00 N ATOM 545 CA SER A 84 -11.774 2.486 4.279 1.00 0.00 C ATOM 546 C SER A 84 -12.537 3.778 4.009 1.00 0.00 C ATOM 547 O SER A 84 -13.500 4.100 4.705 1.00 0.00 O ATOM 548 CB SER A 84 -12.753 1.314 4.374 1.00 0.00 C ATOM 549 OG SER A 84 -13.687 1.511 5.421 1.00 0.00 O ATOM 0 H SER A 84 -11.181 3.430 6.055 1.00 0.00 H new ATOM 0 HA SER A 84 -11.086 2.309 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.282 1.201 3.428 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.202 0.389 4.544 1.00 0.00 H new ATOM 0 HG SER A 84 -13.795 2.471 5.587 1.00 0.00 H new ATOM 555 N VAL A 85 -12.102 4.516 2.993 1.00 0.00 N ATOM 556 CA VAL A 85 -12.744 5.775 2.632 1.00 0.00 C ATOM 557 C VAL A 85 -13.682 5.590 1.444 1.00 0.00 C ATOM 558 O VAL A 85 -13.538 4.646 0.668 1.00 0.00 O ATOM 559 CB VAL A 85 -11.707 6.861 2.285 1.00 0.00 C ATOM 560 CG1 VAL A 85 -12.359 8.234 2.245 1.00 0.00 C ATOM 561 CG2 VAL A 85 -10.556 6.842 3.281 1.00 0.00 C ATOM 0 H VAL A 85 -11.308 4.264 2.405 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.316 6.097 3.502 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.306 6.645 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.609 8.986 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.144 8.242 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.792 8.460 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.835 7.616 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.940 7.029 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.068 5.868 3.255 1.00 0.00 H new ATOM 571 N PHE A 86 -14.642 6.498 1.309 1.00 0.00 N ATOM 572 CA PHE A 86 -15.605 6.435 0.216 1.00 0.00 C ATOM 573 C PHE A 86 -15.018 7.030 -1.061 1.00 0.00 C ATOM 574 O PHE A 86 -14.696 8.216 -1.112 1.00 0.00 O ATOM 575 CB PHE A 86 -16.888 7.178 0.594 1.00 0.00 C ATOM 576 CG PHE A 86 -18.105 6.684 -0.133 1.00 0.00 C ATOM 577 CD1 PHE A 86 -18.441 5.340 -0.116 1.00 0.00 C ATOM 578 CD2 PHE A 86 -18.914 7.565 -0.835 1.00 0.00 C ATOM 579 CE1 PHE A 86 -19.560 4.882 -0.786 1.00 0.00 C ATOM 580 CE2 PHE A 86 -20.034 7.113 -1.505 1.00 0.00 C ATOM 581 CZ PHE A 86 -20.359 5.770 -1.481 1.00 0.00 C ATOM 0 H PHE A 86 -14.774 7.286 1.943 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.841 5.387 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -17.052 7.080 1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -16.757 8.240 0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -17.821 4.642 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -18.666 8.616 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -19.810 3.831 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -20.656 7.809 -2.048 1.00 0.00 H new ATOM 0 HZ PHE A 86 -21.235 5.415 -2.004 1.00 0.00 H new ATOM 591 N LEU A 87 -14.882 6.198 -2.087 1.00 0.00 N ATOM 592 CA LEU A 87 -14.333 6.642 -3.363 1.00 0.00 C ATOM 593 C LEU A 87 -15.017 5.936 -4.529 1.00 0.00 C ATOM 594 O LEU A 87 -14.955 4.712 -4.650 1.00 0.00 O ATOM 595 CB LEU A 87 -12.824 6.389 -3.409 1.00 0.00 C ATOM 596 CG LEU A 87 -11.997 7.516 -4.031 1.00 0.00 C ATOM 597 CD1 LEU A 87 -12.102 8.779 -3.191 1.00 0.00 C ATOM 598 CD2 LEU A 87 -10.544 7.090 -4.177 1.00 0.00 C ATOM 0 H LEU A 87 -15.144 5.213 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.518 7.712 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.469 6.216 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.642 5.473 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.394 7.730 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.508 9.570 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.144 9.094 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.729 8.580 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.969 7.903 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.135 6.850 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.485 6.211 -4.819 1.00 0.00 H new ATOM 610 N SER A 88 -15.669 6.715 -5.385 1.00 0.00 N ATOM 611 CA SER A 88 -16.365 6.166 -6.544 1.00 0.00 C ATOM 612 C SER A 88 -17.431 5.159 -6.119 1.00 0.00 C ATOM 613 O SER A 88 -17.786 4.260 -6.882 1.00 0.00 O ATOM 614 CB SER A 88 -15.369 5.501 -7.495 1.00 0.00 C ATOM 615 OG SER A 88 -15.993 5.138 -8.715 1.00 0.00 O ATOM 0 H SER A 88 -15.730 7.729 -5.298 1.00 0.00 H new ATOM 0 HA SER A 88 -16.858 6.989 -7.061 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.542 6.182 -7.695 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.945 4.615 -7.022 1.00 0.00 H new ATOM 0 HG SER A 88 -16.772 4.573 -8.529 1.00 0.00 H new ATOM 621 N GLY A 89 -17.941 5.317 -4.901 1.00 0.00 N ATOM 622 CA GLY A 89 -18.962 4.415 -4.402 1.00 0.00 C ATOM 623 C GLY A 89 -18.383 3.227 -3.657 1.00 0.00 C ATOM 624 O GLY A 89 -18.857 2.874 -2.579 1.00 0.00 O ATOM 0 H GLY A 89 -17.665 6.053 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.632 4.963 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.563 4.056 -5.237 1.00 0.00 H new ATOM 628 N LEU A 90 -17.358 2.609 -4.235 1.00 0.00 N ATOM 629 CA LEU A 90 -16.718 1.453 -3.618 1.00 0.00 C ATOM 630 C LEU A 90 -15.745 1.886 -2.525 1.00 0.00 C ATOM 631 O LEU A 90 -15.364 3.054 -2.445 1.00 0.00 O ATOM 632 CB LEU A 90 -15.983 0.628 -4.676 1.00 0.00 C ATOM 633 CG LEU A 90 -16.764 -0.565 -5.227 1.00 0.00 C ATOM 634 CD1 LEU A 90 -17.558 -0.160 -6.460 1.00 0.00 C ATOM 635 CD2 LEU A 90 -15.823 -1.716 -5.549 1.00 0.00 C ATOM 0 H LEU A 90 -16.953 2.889 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 90 -17.495 0.839 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -15.718 1.283 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -15.050 0.264 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 90 -17.466 -0.900 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -18.107 -1.022 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.260 0.631 -6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -16.876 0.202 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -16.397 -2.556 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -15.096 -1.394 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -15.301 -2.023 -4.643 1.00 0.00 H new ATOM 647 N ASN A 91 -15.347 0.934 -1.686 1.00 0.00 N ATOM 648 CA ASN A 91 -14.419 1.215 -0.597 1.00 0.00 C ATOM 649 C ASN A 91 -12.975 1.100 -1.074 1.00 0.00 C ATOM 650 O ASN A 91 -12.592 0.106 -1.692 1.00 0.00 O ATOM 651 CB ASN A 91 -14.663 0.256 0.568 1.00 0.00 C ATOM 652 CG ASN A 91 -15.638 0.818 1.585 1.00 0.00 C ATOM 653 OD1 ASN A 91 -16.141 1.931 1.430 1.00 0.00 O ATOM 654 ND2 ASN A 91 -15.911 0.048 2.632 1.00 0.00 N ATOM 0 H ASN A 91 -15.653 -0.038 -1.740 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.591 2.236 -0.258 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -15.048 -0.688 0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.715 0.037 1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -16.561 0.373 3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -15.471 -0.868 2.720 1.00 0.00 H new ATOM 661 N GLN A 92 -12.176 2.122 -0.782 1.00 0.00 N ATOM 662 CA GLN A 92 -10.774 2.134 -1.179 1.00 0.00 C ATOM 663 C GLN A 92 -9.878 2.515 -0.006 1.00 0.00 C ATOM 664 O GLN A 92 -10.317 3.174 0.936 1.00 0.00 O ATOM 665 CB GLN A 92 -10.560 3.110 -2.337 1.00 0.00 C ATOM 666 CG GLN A 92 -11.409 2.800 -3.559 1.00 0.00 C ATOM 667 CD GLN A 92 -10.707 3.142 -4.859 1.00 0.00 C ATOM 668 OE1 GLN A 92 -9.480 3.096 -4.946 1.00 0.00 O ATOM 669 NE2 GLN A 92 -11.484 3.487 -5.879 1.00 0.00 N ATOM 0 H GLN A 92 -12.477 2.952 -0.272 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.506 1.129 -1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.785 4.120 -1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.508 3.097 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.668 1.741 -3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.344 3.357 -3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.497 3.512 -5.763 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.068 3.727 -6.779 1.00 0.00 H new ATOM 678 N ARG A 93 -8.619 2.095 -0.070 1.00 0.00 N ATOM 679 CA ARG A 93 -7.658 2.393 0.987 1.00 0.00 C ATOM 680 C ARG A 93 -6.429 3.096 0.419 1.00 0.00 C ATOM 681 O ARG A 93 -6.143 3.002 -0.774 1.00 0.00 O ATOM 682 CB ARG A 93 -7.244 1.106 1.707 1.00 0.00 C ATOM 683 CG ARG A 93 -7.735 1.029 3.143 1.00 0.00 C ATOM 684 CD ARG A 93 -6.593 1.188 4.135 1.00 0.00 C ATOM 685 NE ARG A 93 -5.491 0.272 3.853 1.00 0.00 N ATOM 686 CZ ARG A 93 -4.290 0.359 4.421 1.00 0.00 C ATOM 687 NH1 ARG A 93 -4.032 1.318 5.302 1.00 0.00 N ATOM 688 NH2 ARG A 93 -3.345 -0.517 4.108 1.00 0.00 N ATOM 0 H ARG A 93 -8.240 1.547 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.136 3.061 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.629 0.250 1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.157 1.028 1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.479 1.807 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.230 0.072 3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.228 2.215 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.963 1.010 5.145 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.651 -0.479 3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.756 1.993 5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.110 1.379 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.539 -1.257 3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.425 -0.451 4.543 1.00 0.00 H new ATOM 702 N PHE A 94 -5.704 3.801 1.283 1.00 0.00 N ATOM 703 CA PHE A 94 -4.506 4.519 0.866 1.00 0.00 C ATOM 704 C PHE A 94 -3.346 3.556 0.628 1.00 0.00 C ATOM 705 O PHE A 94 -3.089 2.669 1.441 1.00 0.00 O ATOM 706 CB PHE A 94 -4.114 5.556 1.919 1.00 0.00 C ATOM 707 CG PHE A 94 -3.087 6.540 1.439 1.00 0.00 C ATOM 708 CD1 PHE A 94 -3.345 7.352 0.346 1.00 0.00 C ATOM 709 CD2 PHE A 94 -1.863 6.653 2.079 1.00 0.00 C ATOM 710 CE1 PHE A 94 -2.401 8.258 -0.100 1.00 0.00 C ATOM 711 CE2 PHE A 94 -0.916 7.556 1.638 1.00 0.00 C ATOM 712 CZ PHE A 94 -1.185 8.360 0.547 1.00 0.00 C ATOM 0 H PHE A 94 -5.926 3.890 2.275 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.729 5.029 -0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.006 6.098 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.728 5.041 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.294 7.276 -0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.647 6.028 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.614 8.885 -0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.034 7.634 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.446 9.067 0.201 1.00 0.00 H new ATOM 722 N CYS A 95 -2.651 3.741 -0.488 1.00 0.00 N ATOM 723 CA CYS A 95 -1.517 2.891 -0.834 1.00 0.00 C ATOM 724 C CYS A 95 -0.219 3.691 -0.827 1.00 0.00 C ATOM 725 O CYS A 95 0.055 4.454 -1.752 1.00 0.00 O ATOM 726 CB CYS A 95 -1.729 2.253 -2.209 1.00 0.00 C ATOM 727 SG CYS A 95 -0.356 1.214 -2.762 1.00 0.00 S ATOM 0 H CYS A 95 -2.853 4.473 -1.170 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.443 2.103 -0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.638 1.651 -2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.891 3.043 -2.943 1.00 0.00 H new ATOM 732 N GLN A 96 0.577 3.510 0.221 1.00 0.00 N ATOM 733 CA GLN A 96 1.847 4.217 0.346 1.00 0.00 C ATOM 734 C GLN A 96 2.843 3.761 -0.722 1.00 0.00 C ATOM 735 O GLN A 96 3.859 4.416 -0.952 1.00 0.00 O ATOM 736 CB GLN A 96 2.444 3.993 1.737 1.00 0.00 C ATOM 737 CG GLN A 96 1.512 4.402 2.870 1.00 0.00 C ATOM 738 CD GLN A 96 1.392 3.337 3.949 1.00 0.00 C ATOM 739 OE1 GLN A 96 0.337 2.724 4.109 1.00 0.00 O ATOM 740 NE2 GLN A 96 2.469 3.109 4.697 1.00 0.00 N ATOM 0 H GLN A 96 0.366 2.881 0.995 1.00 0.00 H new ATOM 0 HA GLN A 96 1.652 5.280 0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.699 2.939 1.849 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.373 4.556 1.820 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.876 5.327 3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.523 4.613 2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.325 3.638 4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.438 2.405 5.434 1.00 0.00 H new ATOM 749 N GLN A 97 2.549 2.635 -1.367 1.00 0.00 N ATOM 750 CA GLN A 97 3.423 2.098 -2.404 1.00 0.00 C ATOM 751 C GLN A 97 3.373 2.952 -3.668 1.00 0.00 C ATOM 752 O GLN A 97 4.395 3.175 -4.318 1.00 0.00 O ATOM 753 CB GLN A 97 3.032 0.654 -2.729 1.00 0.00 C ATOM 754 CG GLN A 97 4.105 -0.362 -2.372 1.00 0.00 C ATOM 755 CD GLN A 97 3.697 -1.783 -2.707 1.00 0.00 C ATOM 756 OE1 GLN A 97 3.308 -2.553 -1.828 1.00 0.00 O ATOM 757 NE2 GLN A 97 3.784 -2.139 -3.983 1.00 0.00 N ATOM 0 H GLN A 97 1.713 2.078 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 97 4.445 2.116 -2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.116 0.405 -2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.810 0.577 -3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.024 -0.117 -2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.326 -0.293 -1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.112 -1.468 -4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.523 -3.083 -4.268 1.00 0.00 H new ATOM 766 N CYS A 98 2.180 3.423 -4.017 1.00 0.00 N ATOM 767 CA CYS A 98 2.003 4.247 -5.210 1.00 0.00 C ATOM 768 C CYS A 98 1.443 5.626 -4.859 1.00 0.00 C ATOM 769 O CYS A 98 1.279 6.475 -5.733 1.00 0.00 O ATOM 770 CB CYS A 98 1.070 3.553 -6.207 1.00 0.00 C ATOM 771 SG CYS A 98 1.336 1.770 -6.360 1.00 0.00 S ATOM 0 H CYS A 98 1.322 3.249 -3.493 1.00 0.00 H new ATOM 0 HA CYS A 98 2.985 4.380 -5.664 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.038 3.730 -5.904 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.198 4.013 -7.187 1.00 0.00 H new ATOM 776 N SER A 99 1.141 5.843 -3.581 1.00 0.00 N ATOM 777 CA SER A 99 0.592 7.121 -3.130 1.00 0.00 C ATOM 778 C SER A 99 -0.819 7.355 -3.676 1.00 0.00 C ATOM 779 O SER A 99 -1.424 8.394 -3.414 1.00 0.00 O ATOM 780 CB SER A 99 1.509 8.272 -3.550 1.00 0.00 C ATOM 781 OG SER A 99 1.514 9.302 -2.577 1.00 0.00 O ATOM 0 H SER A 99 1.266 5.153 -2.841 1.00 0.00 H new ATOM 0 HA SER A 99 0.531 7.085 -2.042 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.523 7.899 -3.694 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.178 8.674 -4.508 1.00 0.00 H new ATOM 0 HG SER A 99 0.591 9.540 -2.348 1.00 0.00 H new ATOM 787 N ARG A 100 -1.342 6.391 -4.432 1.00 0.00 N ATOM 788 CA ARG A 100 -2.679 6.509 -5.002 1.00 0.00 C ATOM 789 C ARG A 100 -3.708 5.800 -4.126 1.00 0.00 C ATOM 790 O ARG A 100 -3.407 5.385 -3.007 1.00 0.00 O ATOM 791 CB ARG A 100 -2.711 5.920 -6.415 1.00 0.00 C ATOM 792 CG ARG A 100 -1.552 6.364 -7.292 1.00 0.00 C ATOM 793 CD ARG A 100 -1.142 5.273 -8.268 1.00 0.00 C ATOM 794 NE ARG A 100 -0.185 5.756 -9.260 1.00 0.00 N ATOM 795 CZ ARG A 100 0.065 5.140 -10.413 1.00 0.00 C ATOM 796 NH1 ARG A 100 -0.569 4.015 -10.721 1.00 0.00 N ATOM 797 NH2 ARG A 100 0.949 5.649 -11.259 1.00 0.00 N ATOM 0 H ARG A 100 -0.860 5.522 -4.662 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.931 7.568 -5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.705 4.832 -6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.647 6.204 -6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.835 7.260 -7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.701 6.631 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.704 4.440 -7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.027 4.889 -8.775 1.00 0.00 H new ATOM 0 HE ARG A 100 0.322 6.617 -9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.250 3.620 -10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.375 3.546 -11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.438 6.513 -11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.140 5.176 -12.142 1.00 0.00 H new ATOM 811 N PHE A 101 -4.923 5.660 -4.648 1.00 0.00 N ATOM 812 CA PHE A 101 -5.998 4.997 -3.920 1.00 0.00 C ATOM 813 C PHE A 101 -6.421 3.717 -4.634 1.00 0.00 C ATOM 814 O PHE A 101 -6.738 3.735 -5.824 1.00 0.00 O ATOM 815 CB PHE A 101 -7.199 5.935 -3.771 1.00 0.00 C ATOM 816 CG PHE A 101 -7.254 6.634 -2.444 1.00 0.00 C ATOM 817 CD1 PHE A 101 -6.387 7.676 -2.157 1.00 0.00 C ATOM 818 CD2 PHE A 101 -8.173 6.247 -1.481 1.00 0.00 C ATOM 819 CE1 PHE A 101 -6.437 8.321 -0.935 1.00 0.00 C ATOM 820 CE2 PHE A 101 -8.227 6.888 -0.257 1.00 0.00 C ATOM 821 CZ PHE A 101 -7.357 7.926 0.016 1.00 0.00 C ATOM 0 H PHE A 101 -5.187 5.998 -5.574 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.628 4.737 -2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.167 6.682 -4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.116 5.362 -3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -5.664 7.988 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.855 5.436 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.757 9.133 -0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.948 6.578 0.485 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.396 8.428 0.972 1.00 0.00 H new ATOM 831 N HIS A 102 -6.420 2.607 -3.903 1.00 0.00 N ATOM 832 CA HIS A 102 -6.798 1.318 -4.472 1.00 0.00 C ATOM 833 C HIS A 102 -7.969 0.705 -3.709 1.00 0.00 C ATOM 834 O HIS A 102 -8.168 0.985 -2.527 1.00 0.00 O ATOM 835 CB HIS A 102 -5.602 0.365 -4.459 1.00 0.00 C ATOM 836 CG HIS A 102 -4.395 0.928 -5.143 1.00 0.00 C ATOM 837 ND1 HIS A 102 -4.473 1.886 -6.132 1.00 0.00 N ATOM 838 CD2 HIS A 102 -3.074 0.673 -4.973 1.00 0.00 C ATOM 839 CE1 HIS A 102 -3.257 2.195 -6.542 1.00 0.00 C ATOM 840 NE2 HIS A 102 -2.391 1.475 -5.854 1.00 0.00 N ATOM 0 H HIS A 102 -6.162 2.574 -2.917 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.112 1.480 -5.503 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -5.348 0.124 -3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.884 -0.569 -4.944 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -5.337 2.293 -6.491 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -2.641 -0.029 -4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -3.012 2.914 -7.310 1.00 0.00 H new ATOM 848 N ASP A 103 -8.742 -0.131 -4.396 1.00 0.00 N ATOM 849 CA ASP A 103 -9.898 -0.785 -3.789 1.00 0.00 C ATOM 850 C ASP A 103 -9.503 -1.535 -2.519 1.00 0.00 C ATOM 851 O ASP A 103 -8.322 -1.774 -2.268 1.00 0.00 O ATOM 852 CB ASP A 103 -10.544 -1.750 -4.784 1.00 0.00 C ATOM 853 CG ASP A 103 -11.982 -2.073 -4.427 1.00 0.00 C ATOM 854 OD1 ASP A 103 -12.780 -1.125 -4.264 1.00 0.00 O ATOM 855 OD2 ASP A 103 -12.309 -3.272 -4.310 1.00 0.00 O ATOM 0 H ASP A 103 -8.589 -0.372 -5.375 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.618 -0.012 -3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.510 -1.314 -5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.965 -2.673 -4.819 1.00 0.00 H new ATOM 860 N LEU A 104 -10.501 -1.901 -1.723 1.00 0.00 N ATOM 861 CA LEU A 104 -10.264 -2.624 -0.478 1.00 0.00 C ATOM 862 C LEU A 104 -9.946 -4.096 -0.741 1.00 0.00 C ATOM 863 O LEU A 104 -9.522 -4.817 0.163 1.00 0.00 O ATOM 864 CB LEU A 104 -11.483 -2.508 0.441 1.00 0.00 C ATOM 865 CG LEU A 104 -11.174 -2.078 1.876 1.00 0.00 C ATOM 866 CD1 LEU A 104 -10.794 -0.606 1.922 1.00 0.00 C ATOM 867 CD2 LEU A 104 -12.366 -2.352 2.782 1.00 0.00 C ATOM 0 H LEU A 104 -11.484 -1.709 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.400 -2.173 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.180 -1.792 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.991 -3.472 0.468 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.327 -2.662 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.578 -0.318 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.911 -0.439 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.621 -0.005 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.129 -2.040 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.231 -1.794 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.593 -3.418 2.773 1.00 0.00 H new ATOM 879 N GLN A 105 -10.152 -4.540 -1.981 1.00 0.00 N ATOM 880 CA GLN A 105 -9.887 -5.926 -2.350 1.00 0.00 C ATOM 881 C GLN A 105 -8.451 -6.109 -2.843 1.00 0.00 C ATOM 882 O GLN A 105 -8.140 -7.086 -3.523 1.00 0.00 O ATOM 883 CB GLN A 105 -10.867 -6.383 -3.431 1.00 0.00 C ATOM 884 CG GLN A 105 -12.140 -7.004 -2.876 1.00 0.00 C ATOM 885 CD GLN A 105 -12.359 -8.423 -3.364 1.00 0.00 C ATOM 886 OE1 GLN A 105 -13.428 -8.760 -3.871 1.00 0.00 O ATOM 887 NE2 GLN A 105 -11.342 -9.264 -3.212 1.00 0.00 N ATOM 0 H GLN A 105 -10.501 -3.960 -2.744 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.021 -6.537 -1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -11.131 -5.529 -4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -10.371 -7.108 -4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -12.096 -7.001 -1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -12.994 -6.390 -3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -10.473 -8.942 -2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.430 -10.232 -3.521 1.00 0.00 H new ATOM 896 N GLU A 106 -7.576 -5.167 -2.496 1.00 0.00 N ATOM 897 CA GLU A 106 -6.178 -5.237 -2.907 1.00 0.00 C ATOM 898 C GLU A 106 -5.250 -5.024 -1.716 1.00 0.00 C ATOM 899 O GLU A 106 -4.145 -4.501 -1.864 1.00 0.00 O ATOM 900 CB GLU A 106 -5.890 -4.192 -3.987 1.00 0.00 C ATOM 901 CG GLU A 106 -6.474 -4.542 -5.344 1.00 0.00 C ATOM 902 CD GLU A 106 -6.484 -3.362 -6.296 1.00 0.00 C ATOM 903 OE1 GLU A 106 -6.956 -2.278 -5.893 1.00 0.00 O ATOM 904 OE2 GLU A 106 -6.021 -3.522 -7.445 1.00 0.00 O ATOM 0 H GLU A 106 -7.811 -4.349 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.994 -6.231 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.290 -3.230 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.811 -4.071 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.897 -5.355 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.493 -4.908 -5.214 1.00 0.00 H new ATOM 911 N PHE A 107 -5.706 -5.431 -0.535 1.00 0.00 N ATOM 912 CA PHE A 107 -4.915 -5.284 0.682 1.00 0.00 C ATOM 913 C PHE A 107 -5.091 -6.495 1.592 1.00 0.00 C ATOM 914 O PHE A 107 -6.139 -6.671 2.214 1.00 0.00 O ATOM 915 CB PHE A 107 -5.316 -4.011 1.427 1.00 0.00 C ATOM 916 CG PHE A 107 -5.099 -2.755 0.632 1.00 0.00 C ATOM 917 CD1 PHE A 107 -3.834 -2.198 0.525 1.00 0.00 C ATOM 918 CD2 PHE A 107 -6.157 -2.131 -0.008 1.00 0.00 C ATOM 919 CE1 PHE A 107 -3.629 -1.042 -0.204 1.00 0.00 C ATOM 920 CE2 PHE A 107 -5.960 -0.975 -0.739 1.00 0.00 C ATOM 921 CZ PHE A 107 -4.695 -0.430 -0.838 1.00 0.00 C ATOM 0 H PHE A 107 -6.618 -5.865 -0.395 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.865 -5.213 0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.368 -4.078 1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.746 -3.947 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.999 -2.673 1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.148 -2.553 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.639 -0.617 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.794 -0.498 -1.232 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.538 0.473 -1.410 1.00 0.00 H new ATOM 931 N ASP A 108 -4.059 -7.329 1.665 1.00 0.00 N ATOM 932 CA ASP A 108 -4.098 -8.525 2.499 1.00 0.00 C ATOM 933 C ASP A 108 -4.277 -8.158 3.968 1.00 0.00 C ATOM 934 O ASP A 108 -4.075 -7.008 4.362 1.00 0.00 O ATOM 935 CB ASP A 108 -2.819 -9.341 2.313 1.00 0.00 C ATOM 936 CG ASP A 108 -3.100 -10.816 2.100 1.00 0.00 C ATOM 937 OD1 ASP A 108 -3.915 -11.380 2.859 1.00 0.00 O ATOM 938 OD2 ASP A 108 -2.505 -11.407 1.174 1.00 0.00 O ATOM 0 H ASP A 108 -3.185 -7.199 1.156 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.952 -9.128 2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.264 -8.953 1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.182 -9.218 3.189 1.00 0.00 H new ATOM 943 N GLU A 109 -4.654 -9.143 4.776 1.00 0.00 N ATOM 944 CA GLU A 109 -4.859 -8.927 6.205 1.00 0.00 C ATOM 945 C GLU A 109 -3.559 -8.515 6.884 1.00 0.00 C ATOM 946 O GLU A 109 -3.397 -7.365 7.295 1.00 0.00 O ATOM 947 CB GLU A 109 -5.415 -10.195 6.859 1.00 0.00 C ATOM 948 CG GLU A 109 -6.929 -10.195 6.994 1.00 0.00 C ATOM 949 CD GLU A 109 -7.489 -11.579 7.255 1.00 0.00 C ATOM 950 OE1 GLU A 109 -6.827 -12.362 7.969 1.00 0.00 O ATOM 951 OE2 GLU A 109 -8.590 -11.880 6.746 1.00 0.00 O ATOM 0 H GLU A 109 -4.824 -10.100 4.466 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.581 -8.119 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.111 -11.061 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -4.970 -10.309 7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.218 -9.530 7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.372 -9.793 6.082 1.00 0.00 H new ATOM 958 N ALA A 110 -2.639 -9.462 6.998 1.00 0.00 N ATOM 959 CA ALA A 110 -1.347 -9.207 7.628 1.00 0.00 C ATOM 960 C ALA A 110 -0.623 -8.051 6.947 1.00 0.00 C ATOM 961 O ALA A 110 -0.008 -7.215 7.608 1.00 0.00 O ATOM 962 CB ALA A 110 -0.489 -10.463 7.596 1.00 0.00 C ATOM 0 H ALA A 110 -2.762 -10.417 6.662 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.525 -8.928 8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.472 -10.259 8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -0.996 -11.264 8.134 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.327 -10.767 6.562 1.00 0.00 H new ATOM 968 N LYS A 111 -0.703 -8.010 5.621 1.00 0.00 N ATOM 969 CA LYS A 111 -0.057 -6.954 4.850 1.00 0.00 C ATOM 970 C LYS A 111 -0.915 -5.694 4.831 1.00 0.00 C ATOM 971 O LYS A 111 -2.092 -5.727 5.192 1.00 0.00 O ATOM 972 CB LYS A 111 0.208 -7.428 3.419 1.00 0.00 C ATOM 973 CG LYS A 111 1.125 -8.639 3.342 1.00 0.00 C ATOM 974 CD LYS A 111 0.732 -9.564 2.200 1.00 0.00 C ATOM 975 CE LYS A 111 1.607 -10.806 2.163 1.00 0.00 C ATOM 976 NZ LYS A 111 2.974 -10.505 1.654 1.00 0.00 N ATOM 0 H LYS A 111 -1.208 -8.695 5.059 1.00 0.00 H new ATOM 0 HA LYS A 111 0.894 -6.717 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.742 -7.671 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.650 -6.610 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.155 -8.309 3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.087 -9.186 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -0.312 -9.856 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.815 -9.031 1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.677 -11.231 3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.141 -11.560 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.540 -11.377 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.909 -10.123 0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.429 -9.804 2.274 1.00 0.00 H new ATOM 990 N ARG A 112 -0.321 -4.584 4.409 1.00 0.00 N ATOM 991 CA ARG A 112 -1.032 -3.314 4.345 1.00 0.00 C ATOM 992 C ARG A 112 -0.491 -2.441 3.217 1.00 0.00 C ATOM 993 O ARG A 112 -0.291 -1.238 3.391 1.00 0.00 O ATOM 994 CB ARG A 112 -0.918 -2.575 5.680 1.00 0.00 C ATOM 995 CG ARG A 112 -1.929 -3.034 6.718 1.00 0.00 C ATOM 996 CD ARG A 112 -2.680 -1.859 7.326 1.00 0.00 C ATOM 997 NE ARG A 112 -3.747 -2.297 8.224 1.00 0.00 N ATOM 998 CZ ARG A 112 -4.870 -2.880 7.810 1.00 0.00 C ATOM 999 NH1 ARG A 112 -5.077 -3.096 6.518 1.00 0.00 N ATOM 1000 NH2 ARG A 112 -5.787 -3.249 8.694 1.00 0.00 N ATOM 0 H ARG A 112 0.652 -4.538 4.106 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.082 -3.524 4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.087 -2.714 6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.047 -1.507 5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.639 -3.721 6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.417 -3.586 7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.981 -1.227 7.874 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -3.105 -1.249 6.529 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.624 -2.147 9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -4.374 -2.815 5.835 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -5.940 -3.543 6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -5.631 -3.086 9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -6.648 -3.696 8.379 1.00 0.00 H new ATOM 1014 N SER A 113 -0.255 -3.053 2.062 1.00 0.00 N ATOM 1015 CA SER A 113 0.264 -2.329 0.908 1.00 0.00 C ATOM 1016 C SER A 113 -0.166 -2.993 -0.395 1.00 0.00 C ATOM 1017 O SER A 113 -0.860 -4.010 -0.389 1.00 0.00 O ATOM 1018 CB SER A 113 1.791 -2.250 0.974 1.00 0.00 C ATOM 1019 OG SER A 113 2.226 -1.854 2.264 1.00 0.00 O ATOM 0 H SER A 113 -0.415 -4.047 1.900 1.00 0.00 H new ATOM 0 HA SER A 113 -0.148 -1.320 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.220 -3.221 0.724 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.154 -1.540 0.231 1.00 0.00 H new ATOM 0 HG SER A 113 3.205 -1.813 2.281 1.00 0.00 H new ATOM 1025 N CYS A 114 0.254 -2.410 -1.513 1.00 0.00 N ATOM 1026 CA CYS A 114 -0.082 -2.936 -2.832 1.00 0.00 C ATOM 1027 C CYS A 114 0.415 -4.369 -2.989 1.00 0.00 C ATOM 1028 O CYS A 114 0.914 -4.972 -2.037 1.00 0.00 O ATOM 1029 CB CYS A 114 0.530 -2.050 -3.918 1.00 0.00 C ATOM 1030 SG CYS A 114 -0.553 -1.743 -5.330 1.00 0.00 S ATOM 0 H CYS A 114 0.831 -1.569 -1.532 1.00 0.00 H new ATOM 0 HA CYS A 114 -1.167 -2.936 -2.935 1.00 0.00 H new ATOM 0 HB2 CYS A 114 0.809 -1.094 -3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 114 1.448 -2.516 -4.275 1.00 0.00 H new ATOM 1035 N ARG A 115 0.276 -4.911 -4.195 1.00 0.00 N ATOM 1036 CA ARG A 115 0.712 -6.274 -4.475 1.00 0.00 C ATOM 1037 C ARG A 115 1.381 -6.372 -5.846 1.00 0.00 C ATOM 1038 O ARG A 115 1.559 -7.465 -6.381 1.00 0.00 O ATOM 1039 CB ARG A 115 -0.475 -7.236 -4.405 1.00 0.00 C ATOM 1040 CG ARG A 115 -1.532 -6.977 -5.468 1.00 0.00 C ATOM 1041 CD ARG A 115 -1.990 -8.268 -6.128 1.00 0.00 C ATOM 1042 NE ARG A 115 -2.448 -9.252 -5.150 1.00 0.00 N ATOM 1043 CZ ARG A 115 -3.625 -9.190 -4.531 1.00 0.00 C ATOM 1044 NH1 ARG A 115 -4.465 -8.196 -4.788 1.00 0.00 N ATOM 1045 NH2 ARG A 115 -3.962 -10.124 -3.654 1.00 0.00 N ATOM 0 H ARG A 115 -0.135 -4.427 -4.993 1.00 0.00 H new ATOM 0 HA ARG A 115 1.445 -6.552 -3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -0.110 -8.258 -4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.936 -7.160 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -2.388 -6.475 -5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -1.130 -6.303 -6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.797 -8.051 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.169 -8.689 -6.708 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.830 -10.032 -4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.210 -7.475 -5.463 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.366 -8.153 -4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.320 -10.890 -3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.864 -10.077 -3.180 1.00 0.00 H new ATOM 1059 N ARG A 116 1.750 -5.225 -6.410 1.00 0.00 N ATOM 1060 CA ARG A 116 2.398 -5.190 -7.717 1.00 0.00 C ATOM 1061 C ARG A 116 3.913 -5.275 -7.572 1.00 0.00 C ATOM 1062 O ARG A 116 4.593 -5.885 -8.397 1.00 0.00 O ATOM 1063 CB ARG A 116 2.015 -3.913 -8.467 1.00 0.00 C ATOM 1064 CG ARG A 116 2.124 -4.041 -9.979 1.00 0.00 C ATOM 1065 CD ARG A 116 3.236 -3.168 -10.537 1.00 0.00 C ATOM 1066 NE ARG A 116 2.718 -1.943 -11.142 1.00 0.00 N ATOM 1067 CZ ARG A 116 3.476 -0.897 -11.466 1.00 0.00 C ATOM 1068 NH1 ARG A 116 4.785 -0.924 -11.247 1.00 0.00 N ATOM 1069 NH2 ARG A 116 2.924 0.177 -12.012 1.00 0.00 N ATOM 0 H ARG A 116 1.611 -4.309 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 116 2.056 -6.053 -8.289 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.992 -3.641 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 116 2.657 -3.098 -8.132 1.00 0.00 H new ATOM 0 HG2 ARG A 116 2.310 -5.082 -10.244 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.176 -3.760 -10.438 1.00 0.00 H new ATOM 0 HD2 ARG A 116 3.932 -2.912 -9.738 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.799 -3.730 -11.282 1.00 0.00 H new ATOM 0 HE ARG A 116 1.717 -1.886 -11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 116 5.215 -1.749 -10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 116 5.361 -0.120 -11.497 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.919 0.202 -12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 116 3.504 0.978 -12.260 1.00 0.00 H new ATOM 1083 N ARG A 117 4.435 -4.660 -6.518 1.00 0.00 N ATOM 1084 CA ARG A 117 5.872 -4.664 -6.262 1.00 0.00 C ATOM 1085 C ARG A 117 6.203 -5.492 -5.025 1.00 0.00 C ATOM 1086 O ARG A 117 7.252 -6.131 -4.956 1.00 0.00 O ATOM 1087 CB ARG A 117 6.382 -3.233 -6.083 1.00 0.00 C ATOM 1088 CG ARG A 117 7.881 -3.091 -6.303 1.00 0.00 C ATOM 1089 CD ARG A 117 8.661 -3.388 -5.032 1.00 0.00 C ATOM 1090 NE ARG A 117 9.845 -4.201 -5.294 1.00 0.00 N ATOM 1091 CZ ARG A 117 10.984 -3.716 -5.781 1.00 0.00 C ATOM 1092 NH1 ARG A 117 11.097 -2.425 -6.061 1.00 0.00 N ATOM 1093 NH2 ARG A 117 12.014 -4.526 -5.988 1.00 0.00 N ATOM 0 H ARG A 117 3.885 -4.151 -5.826 1.00 0.00 H new ATOM 0 HA ARG A 117 6.368 -5.115 -7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.857 -2.579 -6.779 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.136 -2.891 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.200 -3.770 -7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.106 -2.080 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.961 -2.451 -4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.015 -3.906 -4.323 1.00 0.00 H new ATOM 0 HE ARG A 117 9.796 -5.200 -5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.308 -1.798 -5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 117 11.973 -2.059 -6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.932 -5.520 -5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.888 -4.155 -6.361 1.00 0.00 H new ATOM 1107 N LEU A 118 5.301 -5.475 -4.048 1.00 0.00 N ATOM 1108 CA LEU A 118 5.499 -6.225 -2.814 1.00 0.00 C ATOM 1109 C LEU A 118 5.440 -7.727 -3.073 1.00 0.00 C ATOM 1110 O LEU A 118 6.305 -8.479 -2.623 1.00 0.00 O ATOM 1111 CB LEU A 118 4.441 -5.832 -1.779 1.00 0.00 C ATOM 1112 CG LEU A 118 4.938 -5.785 -0.333 1.00 0.00 C ATOM 1113 CD1 LEU A 118 5.447 -4.394 0.010 1.00 0.00 C ATOM 1114 CD2 LEU A 118 3.830 -6.202 0.624 1.00 0.00 C ATOM 0 H LEU A 118 4.427 -4.950 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 118 6.488 -5.981 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.043 -4.852 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.614 -6.539 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 118 5.765 -6.488 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.797 -4.379 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.270 -4.133 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.640 -3.671 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.200 -6.163 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.983 -5.524 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.512 -7.218 0.392 1.00 0.00 H new ATOM 1126 N ALA A 119 4.417 -8.156 -3.802 1.00 0.00 N ATOM 1127 CA ALA A 119 4.245 -9.568 -4.123 1.00 0.00 C ATOM 1128 C ALA A 119 5.089 -9.962 -5.331 1.00 0.00 C ATOM 1129 O ALA A 119 4.723 -9.686 -6.474 1.00 0.00 O ATOM 1130 CB ALA A 119 2.777 -9.876 -4.380 1.00 0.00 C ATOM 0 H ALA A 119 3.693 -7.546 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 119 4.584 -10.154 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.663 -10.934 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.194 -9.640 -3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.420 -9.275 -5.217 1.00 0.00 H new ATOM 1136 N GLY A 120 6.221 -10.608 -5.070 1.00 0.00 N ATOM 1137 CA GLY A 120 7.099 -11.029 -6.144 1.00 0.00 C ATOM 1138 C GLY A 120 6.591 -12.266 -6.860 1.00 0.00 C ATOM 1139 O GLY A 120 6.170 -13.231 -6.222 1.00 0.00 O ATOM 0 H GLY A 120 6.545 -10.847 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 120 7.205 -10.216 -6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 120 8.091 -11.229 -5.740 1.00 0.00 H new ATOM 1143 N HIS A 121 6.631 -12.237 -8.189 1.00 0.00 N ATOM 1144 CA HIS A 121 6.171 -13.364 -8.990 1.00 0.00 C ATOM 1145 C HIS A 121 7.353 -14.155 -9.543 1.00 0.00 C ATOM 1146 O HIS A 121 7.303 -14.663 -10.663 1.00 0.00 O ATOM 1147 CB HIS A 121 5.289 -12.873 -10.141 1.00 0.00 C ATOM 1148 CG HIS A 121 3.944 -12.389 -9.697 1.00 0.00 C ATOM 1149 ND1 HIS A 121 3.750 -11.641 -8.556 1.00 0.00 N ATOM 1150 CD2 HIS A 121 2.718 -12.549 -10.251 1.00 0.00 C ATOM 1151 CE1 HIS A 121 2.465 -11.363 -8.425 1.00 0.00 C ATOM 1152 NE2 HIS A 121 1.818 -11.902 -9.442 1.00 0.00 N ATOM 0 H HIS A 121 6.977 -11.446 -8.732 1.00 0.00 H new ATOM 0 HA HIS A 121 5.585 -14.020 -8.347 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.803 -12.066 -10.663 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.156 -13.683 -10.858 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.491 -13.086 -11.160 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.020 -10.792 -7.623 1.00 0.00 H new ATOM 0 HE2 HIS A 121 0.812 -11.846 -9.601 1.00 0.00 H new ATOM 1160 N ASN A 122 8.414 -14.254 -8.750 1.00 0.00 N ATOM 1161 CA ASN A 122 9.608 -14.982 -9.159 1.00 0.00 C ATOM 1162 C ASN A 122 9.647 -16.367 -8.519 1.00 0.00 C ATOM 1163 O ASN A 122 9.220 -16.545 -7.378 1.00 0.00 O ATOM 1164 CB ASN A 122 10.865 -14.197 -8.779 1.00 0.00 C ATOM 1165 CG ASN A 122 10.877 -12.804 -9.376 1.00 0.00 C ATOM 1166 OD1 ASN A 122 10.059 -11.955 -9.019 1.00 0.00 O ATOM 1167 ND2 ASN A 122 11.807 -12.559 -10.292 1.00 0.00 N ATOM 0 H ASN A 122 8.471 -13.839 -7.820 1.00 0.00 H new ATOM 0 HA ASN A 122 9.576 -15.102 -10.242 1.00 0.00 H new ATOM 0 HB2 ASN A 122 10.931 -14.125 -7.693 1.00 0.00 H new ATOM 0 HB3 ASN A 122 11.747 -14.742 -9.117 1.00 0.00 H new ATOM 0 HD21 ASN A 122 11.863 -11.639 -10.729 1.00 0.00 H new ATOM 0 HD22 ASN A 122 12.465 -13.291 -10.559 1.00 0.00 H new ATOM 1174 N GLU A 123 10.162 -17.342 -9.261 1.00 0.00 N ATOM 1175 CA GLU A 123 10.254 -18.711 -8.763 1.00 0.00 C ATOM 1176 C GLU A 123 11.524 -18.907 -7.943 1.00 0.00 C ATOM 1177 O GLU A 123 12.464 -18.118 -8.036 1.00 0.00 O ATOM 1178 CB GLU A 123 10.227 -19.703 -9.927 1.00 0.00 C ATOM 1179 CG GLU A 123 9.696 -21.074 -9.544 1.00 0.00 C ATOM 1180 CD GLU A 123 8.313 -21.012 -8.927 1.00 0.00 C ATOM 1181 OE1 GLU A 123 8.220 -20.868 -7.690 1.00 0.00 O ATOM 1182 OE2 GLU A 123 7.322 -21.106 -9.682 1.00 0.00 O ATOM 0 H GLU A 123 10.521 -17.211 -10.207 1.00 0.00 H new ATOM 0 HA GLU A 123 9.394 -18.895 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 123 9.611 -19.294 -10.728 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.236 -19.811 -10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 123 9.666 -21.709 -10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.383 -21.542 -8.839 1.00 0.00 H new ATOM 1189 N ARG A 124 11.545 -19.966 -7.140 1.00 0.00 N ATOM 1190 CA ARG A 124 12.699 -20.268 -6.302 1.00 0.00 C ATOM 1191 C ARG A 124 13.784 -20.976 -7.108 1.00 0.00 C ATOM 1192 O ARG A 124 13.552 -22.043 -7.675 1.00 0.00 O ATOM 1193 CB ARG A 124 12.278 -21.136 -5.113 1.00 0.00 C ATOM 1194 CG ARG A 124 12.830 -20.652 -3.782 1.00 0.00 C ATOM 1195 CD ARG A 124 13.857 -21.620 -3.215 1.00 0.00 C ATOM 1196 NE ARG A 124 14.873 -20.937 -2.420 1.00 0.00 N ATOM 1197 CZ ARG A 124 15.909 -20.284 -2.942 1.00 0.00 C ATOM 1198 NH1 ARG A 124 16.069 -20.224 -4.259 1.00 0.00 N ATOM 1199 NH2 ARG A 124 16.787 -19.690 -2.147 1.00 0.00 N ATOM 0 H ARG A 124 10.775 -20.629 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 124 13.105 -19.328 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 124 11.190 -21.160 -5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 124 12.611 -22.159 -5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 124 13.287 -19.671 -3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 124 12.013 -20.531 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 124 13.352 -22.363 -2.597 1.00 0.00 H new ATOM 0 HD3 ARG A 124 14.337 -22.158 -4.032 1.00 0.00 H new ATOM 0 HE ARG A 124 14.784 -20.962 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 124 15.396 -20.680 -4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 124 16.865 -19.722 -4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 124 16.669 -19.733 -1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 124 17.581 -19.190 -2.547 1.00 0.00 H new ATOM 1213 N ARG A 125 14.968 -20.374 -7.153 1.00 0.00 N ATOM 1214 CA ARG A 125 16.088 -20.948 -7.889 1.00 0.00 C ATOM 1215 C ARG A 125 16.675 -22.143 -7.144 1.00 0.00 C ATOM 1216 O ARG A 125 16.091 -22.630 -6.176 1.00 0.00 O ATOM 1217 CB ARG A 125 17.170 -19.890 -8.119 1.00 0.00 C ATOM 1218 CG ARG A 125 17.734 -19.892 -9.530 1.00 0.00 C ATOM 1219 CD ARG A 125 19.084 -19.200 -9.593 1.00 0.00 C ATOM 1220 NE ARG A 125 19.062 -17.894 -8.939 1.00 0.00 N ATOM 1221 CZ ARG A 125 20.086 -17.044 -8.942 1.00 0.00 C ATOM 1222 NH1 ARG A 125 21.216 -17.359 -9.563 1.00 0.00 N ATOM 1223 NH2 ARG A 125 19.979 -15.876 -8.323 1.00 0.00 N ATOM 0 H ARG A 125 15.176 -19.490 -6.689 1.00 0.00 H new ATOM 0 HA ARG A 125 15.718 -21.293 -8.854 1.00 0.00 H new ATOM 0 HB2 ARG A 125 16.755 -18.905 -7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.983 -20.054 -7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 125 17.834 -20.919 -9.881 1.00 0.00 H new ATOM 0 HG3 ARG A 125 17.036 -19.392 -10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.837 -19.830 -9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.381 -19.079 -10.635 1.00 0.00 H new ATOM 0 HE ARG A 125 18.210 -17.617 -8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.302 -18.256 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.998 -16.704 -9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 125 19.112 -15.630 -7.845 1.00 0.00 H new ATOM 0 HH22 ARG A 125 20.763 -15.224 -8.325 1.00 0.00 H new ATOM 1237 N ARG A 126 17.831 -22.610 -7.600 1.00 0.00 N ATOM 1238 CA ARG A 126 18.496 -23.748 -6.976 1.00 0.00 C ATOM 1239 C ARG A 126 19.693 -23.290 -6.147 1.00 0.00 C ATOM 1240 O ARG A 126 19.655 -23.315 -4.916 1.00 0.00 O ATOM 1241 CB ARG A 126 18.949 -24.748 -8.041 1.00 0.00 C ATOM 1242 CG ARG A 126 18.541 -26.181 -7.741 1.00 0.00 C ATOM 1243 CD ARG A 126 18.820 -27.099 -8.920 1.00 0.00 C ATOM 1244 NE ARG A 126 18.150 -28.389 -8.780 1.00 0.00 N ATOM 1245 CZ ARG A 126 16.849 -28.576 -8.987 1.00 0.00 C ATOM 1246 NH1 ARG A 126 16.072 -27.557 -9.338 1.00 0.00 N ATOM 1247 NH2 ARG A 126 16.320 -29.783 -8.839 1.00 0.00 N ATOM 0 H ARG A 126 18.328 -22.218 -8.400 1.00 0.00 H new ATOM 0 HA ARG A 126 17.782 -24.236 -6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 126 18.532 -24.454 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 126 20.034 -24.700 -8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 126 19.082 -26.538 -6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 126 17.479 -26.214 -7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 126 18.490 -26.617 -9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 126 19.895 -27.257 -9.010 1.00 0.00 H new ATOM 0 HE ARG A 126 18.713 -29.195 -8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.472 -26.626 -9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 126 15.075 -27.706 -9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.911 -30.569 -8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 126 15.323 -29.926 -8.998 1.00 0.00 H new ATOM 1261 N LYS A 127 20.753 -22.870 -6.829 1.00 0.00 N ATOM 1262 CA LYS A 127 21.961 -22.406 -6.155 1.00 0.00 C ATOM 1263 C LYS A 127 22.607 -21.261 -6.929 1.00 0.00 C ATOM 1264 O LYS A 127 22.070 -20.795 -7.935 1.00 0.00 O ATOM 1265 CB LYS A 127 22.954 -23.558 -5.995 1.00 0.00 C ATOM 1266 CG LYS A 127 22.881 -24.239 -4.637 1.00 0.00 C ATOM 1267 CD LYS A 127 22.823 -25.753 -4.773 1.00 0.00 C ATOM 1268 CE LYS A 127 21.409 -26.278 -4.579 1.00 0.00 C ATOM 1269 NZ LYS A 127 21.027 -26.323 -3.140 1.00 0.00 N ATOM 0 H LYS A 127 20.801 -22.841 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 127 21.681 -22.040 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 127 22.768 -24.298 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 127 23.965 -23.180 -6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 127 23.750 -23.959 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 127 22.000 -23.887 -4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 127 23.188 -26.045 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 127 23.486 -26.211 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 127 20.708 -25.643 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 127 21.331 -27.277 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 20.057 -26.686 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 21.680 -26.949 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 21.077 -25.365 -2.737 1.00 0.00 H new ATOM 1283 N SER A 128 23.763 -20.810 -6.454 1.00 0.00 N ATOM 1284 CA SER A 128 24.483 -19.720 -7.100 1.00 0.00 C ATOM 1285 C SER A 128 25.822 -20.203 -7.649 1.00 0.00 C ATOM 1286 O SER A 128 26.031 -20.235 -8.862 1.00 0.00 O ATOM 1287 CB SER A 128 24.708 -18.574 -6.113 1.00 0.00 C ATOM 1288 OG SER A 128 24.573 -17.316 -6.751 1.00 0.00 O ATOM 0 H SER A 128 24.221 -21.183 -5.623 1.00 0.00 H new ATOM 0 HA SER A 128 23.877 -19.360 -7.932 1.00 0.00 H new ATOM 0 HB2 SER A 128 23.992 -18.649 -5.295 1.00 0.00 H new ATOM 0 HB3 SER A 128 25.702 -18.658 -5.675 1.00 0.00 H new ATOM 0 HG SER A 128 24.720 -16.600 -6.098 1.00 0.00 H new ATOM 1294 N SER A 129 26.725 -20.577 -6.750 1.00 0.00 N ATOM 1295 CA SER A 129 28.044 -21.059 -7.144 1.00 0.00 C ATOM 1296 C SER A 129 28.181 -22.554 -6.872 1.00 0.00 C ATOM 1297 O SER A 129 28.557 -23.323 -7.757 1.00 0.00 O ATOM 1298 CB SER A 129 29.134 -20.290 -6.396 1.00 0.00 C ATOM 1299 OG SER A 129 30.394 -20.919 -6.545 1.00 0.00 O ATOM 0 H SER A 129 26.568 -20.556 -5.742 1.00 0.00 H new ATOM 0 HA SER A 129 28.160 -20.892 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 129 29.187 -19.269 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 129 28.878 -20.227 -5.338 1.00 0.00 H new ATOM 0 HG SER A 129 31.074 -20.408 -6.059 1.00 0.00 H new ATOM 1305 N GLY A 130 27.872 -22.957 -5.644 1.00 0.00 N ATOM 1306 CA GLY A 130 27.967 -24.359 -5.279 1.00 0.00 C ATOM 1307 C GLY A 130 29.404 -24.824 -5.137 1.00 0.00 C ATOM 1308 O GLY A 130 30.110 -24.410 -4.218 1.00 0.00 O ATOM 0 H GLY A 130 27.558 -22.339 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 130 27.440 -24.523 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 130 27.466 -24.963 -6.035 1.00 0.00 H new ATOM 1312 N GLU A 131 29.836 -25.687 -6.051 1.00 0.00 N ATOM 1313 CA GLU A 131 31.198 -26.210 -6.024 1.00 0.00 C ATOM 1314 C GLU A 131 32.020 -25.644 -7.177 1.00 0.00 C ATOM 1315 O GLU A 131 31.540 -25.700 -8.329 1.00 0.00 O ATOM 1316 CB GLU A 131 31.181 -27.738 -6.094 1.00 0.00 C ATOM 1317 CG GLU A 131 31.348 -28.411 -4.741 1.00 0.00 C ATOM 1318 CD GLU A 131 30.891 -29.857 -4.748 1.00 0.00 C ATOM 1319 OE1 GLU A 131 31.529 -30.678 -5.441 1.00 0.00 O ATOM 1320 OE2 GLU A 131 29.895 -30.168 -4.061 1.00 0.00 O ATOM 0 H GLU A 131 29.264 -26.039 -6.819 1.00 0.00 H new ATOM 0 HA GLU A 131 31.661 -25.902 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 131 30.240 -28.063 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 131 31.979 -28.072 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 131 32.396 -28.367 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 131 30.781 -27.858 -3.992 1.00 0.00 H new TER 1327 GLU A 131 HETATM 1328 ZN ZN A 138 -9.591 14.667 2.592 1.00 0.00 ZN HETATM 1329 ZN ZN A 139 -0.538 0.705 -5.165 1.00 0.00 ZN