USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 650 hydrogens (15 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: B 4 MLZ H2 : B 4 MLZ N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 MLZ H : B 4 MLZ N : B 3 THR C :(H bumps) USER MOD Set 1.1: A 908 GLN : amide:sc= 2.57 K(o=3.3,f=-3.4!) USER MOD Set 1.2: A 912 ASN : amide:sc= 0.747 K(o=3.3,f=-5) USER MOD Single : A 851 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot -24:sc= 1.45 USER MOD Single : A 858 SER OG : rot 180:sc= 0 USER MOD Single : A 861 THR OG1 : rot 180:sc= 0 USER MOD Single : A 863 SER OG : rot 180:sc= 0 USER MOD Single : A 873 LYS NZ :NH3+ 180:sc= 1.94 (180deg=1.94) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot 180:sc= 0 USER MOD Single : A 888 SER OG : rot 180:sc= 0 USER MOD Single : A 889 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 894 MET CE :methyl -178:sc= 0 (180deg=-0.00615) USER MOD Single : A 895 ASN : amide:sc= 1.86 K(o=1.9,f=0) USER MOD Single : A 896 ASN : amide:sc= 0.419 K(o=0.42,f=-4.2!) USER MOD Single : A 897 SER OG : rot 180:sc= 0 USER MOD Single : A 899 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 905 SER OG : rot 180:sc= 0 USER MOD Single : A 906 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 907 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0 USER MOD Single : A 916 ASN : amide:sc= 0.487 K(o=0.49,f=-2.6!) USER MOD Single : A 923 GLN : amide:sc= -0.601 K(o=-0.6,f=-1.5) USER MOD Single : B 1 ALA N :NH3+ -175:sc= 1.75 (180deg=1.72) USER MOD Single : B 3 THR OG1 : rot 63:sc= 0.277 USER MOD Single : B 5 GLN : amide:sc= -0.487 K(o=-0.49,f=-1) USER MOD Single : B 6 THR OG1 : rot -103:sc= 0.471 USER MOD Single : B 9 TYR OH : rot 180:sc= 0.0136 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 850 -6.063 -13.965 -2.762 1.00 0.00 N ATOM 2 CA GLY A 850 -5.139 -12.818 -2.649 1.00 0.00 C ATOM 3 C GLY A 850 -4.148 -12.796 -3.796 1.00 0.00 C ATOM 4 O GLY A 850 -3.023 -13.277 -3.647 1.00 0.00 O ATOM 0 HA2 GLY A 850 -5.709 -11.889 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 850 -4.602 -12.872 -1.702 1.00 0.00 H new ATOM 10 N SER A 851 -4.550 -12.250 -4.946 1.00 0.00 N ATOM 11 CA SER A 851 -3.718 -12.131 -6.162 1.00 0.00 C ATOM 12 C SER A 851 -2.636 -11.039 -6.056 1.00 0.00 C ATOM 13 O SER A 851 -2.735 -10.126 -5.234 1.00 0.00 O ATOM 14 CB SER A 851 -4.613 -11.877 -7.382 1.00 0.00 C ATOM 15 OG SER A 851 -5.472 -12.986 -7.597 1.00 0.00 O ATOM 0 H SER A 851 -5.487 -11.866 -5.068 1.00 0.00 H new ATOM 0 HA SER A 851 -3.189 -13.077 -6.277 1.00 0.00 H new ATOM 0 HB2 SER A 851 -5.204 -10.974 -7.227 1.00 0.00 H new ATOM 0 HB3 SER A 851 -3.997 -11.708 -8.265 1.00 0.00 H new ATOM 0 HG SER A 851 -6.040 -12.813 -8.377 1.00 0.00 H new ATOM 21 N ARG A 852 -1.596 -11.121 -6.901 1.00 0.00 N ATOM 22 CA ARG A 852 -0.424 -10.213 -6.905 1.00 0.00 C ATOM 23 C ARG A 852 -0.717 -8.773 -7.362 1.00 0.00 C ATOM 24 O ARG A 852 0.014 -7.860 -6.970 1.00 0.00 O ATOM 25 CB ARG A 852 0.700 -10.835 -7.767 1.00 0.00 C ATOM 26 CG ARG A 852 2.013 -11.110 -7.012 1.00 0.00 C ATOM 27 CD ARG A 852 1.966 -12.320 -6.064 1.00 0.00 C ATOM 28 NE ARG A 852 1.271 -12.023 -4.793 1.00 0.00 N ATOM 29 CZ ARG A 852 0.157 -12.564 -4.337 1.00 0.00 C ATOM 30 NH1 ARG A 852 -0.460 -13.539 -4.939 1.00 0.00 N1+ ATOM 31 NH2 ARG A 852 -0.398 -12.118 -3.250 1.00 0.00 N ATOM 0 H ARG A 852 -1.540 -11.839 -7.623 1.00 0.00 H new ATOM 0 HA ARG A 852 -0.113 -10.117 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 852 0.338 -11.772 -8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 852 0.910 -10.167 -8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 852 2.809 -11.266 -7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 852 2.278 -10.224 -6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 852 1.463 -13.148 -6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 852 2.983 -12.648 -5.849 1.00 0.00 H new ATOM 0 HE ARG A 852 1.704 -11.316 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 852 -0.085 -13.921 -5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 852 -1.319 -13.921 -4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 852 0.027 -11.343 -2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 852 -1.259 -12.543 -2.906 1.00 0.00 H new ATOM 45 N ARG A 853 -1.796 -8.574 -8.137 1.00 0.00 N ATOM 46 CA ARG A 853 -2.265 -7.302 -8.742 1.00 0.00 C ATOM 47 C ARG A 853 -1.244 -6.622 -9.681 1.00 0.00 C ATOM 48 O ARG A 853 -0.100 -7.064 -9.808 1.00 0.00 O ATOM 49 CB ARG A 853 -2.788 -6.336 -7.652 1.00 0.00 C ATOM 50 CG ARG A 853 -3.476 -7.022 -6.456 1.00 0.00 C ATOM 51 CD ARG A 853 -4.202 -6.032 -5.544 1.00 0.00 C ATOM 52 NE ARG A 853 -3.315 -4.948 -5.075 1.00 0.00 N ATOM 53 CZ ARG A 853 -3.432 -3.657 -5.339 1.00 0.00 C ATOM 54 NH1 ARG A 853 -4.504 -3.122 -5.847 1.00 0.00 N1+ ATOM 55 NH2 ARG A 853 -2.444 -2.851 -5.105 1.00 0.00 N ATOM 0 H ARG A 853 -2.413 -9.350 -8.379 1.00 0.00 H new ATOM 0 HA ARG A 853 -3.094 -7.571 -9.396 1.00 0.00 H new ATOM 0 HB2 ARG A 853 -1.952 -5.743 -7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 853 -3.493 -5.642 -8.110 1.00 0.00 H new ATOM 0 HG2 ARG A 853 -4.189 -7.759 -6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 853 -2.730 -7.564 -5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 853 -5.047 -5.600 -6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 853 -4.608 -6.564 -4.684 1.00 0.00 H new ATOM 0 HE ARG A 853 -2.530 -5.224 -4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 853 -5.312 -3.706 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 853 -4.536 -2.119 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 853 -1.573 -3.212 -4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 853 -2.538 -1.856 -5.310 1.00 0.00 H new ATOM 69 N ALA A 854 -1.667 -5.546 -10.351 1.00 0.00 N ATOM 70 CA ALA A 854 -0.813 -4.679 -11.176 1.00 0.00 C ATOM 71 C ALA A 854 -1.402 -3.264 -11.342 1.00 0.00 C ATOM 72 O ALA A 854 -2.620 -3.078 -11.270 1.00 0.00 O ATOM 73 CB ALA A 854 -0.596 -5.323 -12.553 1.00 0.00 C ATOM 0 H ALA A 854 -2.641 -5.243 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 854 0.142 -4.573 -10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 854 0.037 -4.677 -13.161 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -0.113 -6.292 -12.429 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -1.558 -5.457 -13.048 1.00 0.00 H new ATOM 79 N SER A 855 -0.534 -2.288 -11.642 1.00 0.00 N ATOM 80 CA SER A 855 -0.829 -0.850 -11.845 1.00 0.00 C ATOM 81 C SER A 855 -1.574 -0.158 -10.681 1.00 0.00 C ATOM 82 O SER A 855 -1.709 -0.712 -9.587 1.00 0.00 O ATOM 83 CB SER A 855 -1.511 -0.631 -13.200 1.00 0.00 C ATOM 84 OG SER A 855 -2.859 -1.049 -13.156 1.00 0.00 O ATOM 0 H SER A 855 0.459 -2.488 -11.758 1.00 0.00 H new ATOM 0 HA SER A 855 0.137 -0.346 -11.853 1.00 0.00 H new ATOM 0 HB2 SER A 855 -1.461 0.424 -13.471 1.00 0.00 H new ATOM 0 HB3 SER A 855 -0.979 -1.184 -13.974 1.00 0.00 H new ATOM 0 HG SER A 855 -2.971 -1.719 -12.450 1.00 0.00 H new ATOM 90 N VAL A 856 -2.006 1.090 -10.904 1.00 0.00 N ATOM 91 CA VAL A 856 -2.626 1.994 -9.910 1.00 0.00 C ATOM 92 C VAL A 856 -3.686 2.917 -10.533 1.00 0.00 C ATOM 93 O VAL A 856 -3.750 3.079 -11.753 1.00 0.00 O ATOM 94 CB VAL A 856 -1.564 2.862 -9.186 1.00 0.00 C ATOM 95 CG1 VAL A 856 -0.640 2.037 -8.291 1.00 0.00 C ATOM 96 CG2 VAL A 856 -0.714 3.710 -10.141 1.00 0.00 C ATOM 0 H VAL A 856 -1.932 1.523 -11.824 1.00 0.00 H new ATOM 0 HA VAL A 856 -3.117 1.343 -9.187 1.00 0.00 H new ATOM 0 HB VAL A 856 -2.150 3.538 -8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 856 0.083 2.695 -7.809 1.00 0.00 H new ATOM 0 HG12 VAL A 856 -1.231 1.528 -7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 856 -0.112 1.299 -8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 856 0.007 4.291 -9.567 1.00 0.00 H new ATOM 0 HG22 VAL A 856 -0.184 3.057 -10.834 1.00 0.00 H new ATOM 0 HG23 VAL A 856 -1.361 4.385 -10.701 1.00 0.00 H new ATOM 106 N GLY A 857 -4.473 3.574 -9.673 1.00 0.00 N ATOM 107 CA GLY A 857 -5.302 4.738 -10.013 1.00 0.00 C ATOM 108 C GLY A 857 -6.789 4.459 -10.272 1.00 0.00 C ATOM 109 O GLY A 857 -7.162 3.558 -11.029 1.00 0.00 O ATOM 0 H GLY A 857 -4.553 3.303 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 857 -5.226 5.462 -9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 857 -4.882 5.210 -10.901 1.00 0.00 H new ATOM 113 N SER A 858 -7.637 5.292 -9.666 1.00 0.00 N ATOM 114 CA SER A 858 -9.083 5.410 -9.901 1.00 0.00 C ATOM 115 C SER A 858 -9.575 6.840 -9.600 1.00 0.00 C ATOM 116 O SER A 858 -9.005 7.544 -8.763 1.00 0.00 O ATOM 117 CB SER A 858 -9.840 4.365 -9.066 1.00 0.00 C ATOM 118 OG SER A 858 -9.637 4.523 -7.672 1.00 0.00 O ATOM 0 H SER A 858 -7.315 5.945 -8.952 1.00 0.00 H new ATOM 0 HA SER A 858 -9.285 5.214 -10.954 1.00 0.00 H new ATOM 0 HB2 SER A 858 -10.906 4.436 -9.284 1.00 0.00 H new ATOM 0 HB3 SER A 858 -9.519 3.367 -9.364 1.00 0.00 H new ATOM 0 HG SER A 858 -10.141 3.836 -7.188 1.00 0.00 H new ATOM 124 N GLU A 859 -10.627 7.292 -10.293 1.00 0.00 N ATOM 125 CA GLU A 859 -11.237 8.627 -10.140 1.00 0.00 C ATOM 126 C GLU A 859 -12.728 8.601 -10.523 1.00 0.00 C ATOM 127 O GLU A 859 -13.168 7.698 -11.237 1.00 0.00 O ATOM 128 CB GLU A 859 -10.459 9.661 -10.978 1.00 0.00 C ATOM 129 CG GLU A 859 -10.798 11.124 -10.650 1.00 0.00 C ATOM 130 CD GLU A 859 -9.762 12.120 -11.221 1.00 0.00 C ATOM 131 OE1 GLU A 859 -9.396 13.089 -10.509 1.00 0.00 O ATOM 132 OE2 GLU A 859 -9.323 11.972 -12.388 1.00 0.00 O1- ATOM 0 H GLU A 859 -11.095 6.724 -10.999 1.00 0.00 H new ATOM 0 HA GLU A 859 -11.178 8.920 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 859 -9.391 9.505 -10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 859 -10.661 9.481 -12.034 1.00 0.00 H new ATOM 0 HG2 GLU A 859 -11.784 11.363 -11.050 1.00 0.00 H new ATOM 0 HG3 GLU A 859 -10.855 11.246 -9.568 1.00 0.00 H new ATOM 139 N PHE A 860 -13.499 9.589 -10.052 1.00 0.00 N ATOM 140 CA PHE A 860 -14.971 9.591 -10.021 1.00 0.00 C ATOM 141 C PHE A 860 -15.604 9.327 -11.396 1.00 0.00 C ATOM 142 O PHE A 860 -16.268 8.307 -11.584 1.00 0.00 O ATOM 143 CB PHE A 860 -15.489 10.922 -9.444 1.00 0.00 C ATOM 144 CG PHE A 860 -15.274 11.133 -7.955 1.00 0.00 C ATOM 145 CD1 PHE A 860 -16.318 10.856 -7.050 1.00 0.00 C ATOM 146 CD2 PHE A 860 -14.058 11.655 -7.469 1.00 0.00 C ATOM 147 CE1 PHE A 860 -16.149 11.091 -5.673 1.00 0.00 C ATOM 148 CE2 PHE A 860 -13.886 11.882 -6.091 1.00 0.00 C ATOM 149 CZ PHE A 860 -14.930 11.601 -5.193 1.00 0.00 C ATOM 0 H PHE A 860 -13.100 10.445 -9.666 1.00 0.00 H new ATOM 0 HA PHE A 860 -15.271 8.766 -9.375 1.00 0.00 H new ATOM 0 HB2 PHE A 860 -15.006 11.739 -9.980 1.00 0.00 H new ATOM 0 HB3 PHE A 860 -16.557 10.993 -9.650 1.00 0.00 H new ATOM 0 HD1 PHE A 860 -17.254 10.461 -7.416 1.00 0.00 H new ATOM 0 HD2 PHE A 860 -13.256 11.881 -8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 860 -16.955 10.880 -4.986 1.00 0.00 H new ATOM 0 HE2 PHE A 860 -12.949 12.273 -5.722 1.00 0.00 H new ATOM 0 HZ PHE A 860 -14.796 11.777 -4.136 1.00 0.00 H new ATOM 159 N THR A 861 -15.391 10.234 -12.359 1.00 0.00 N ATOM 160 CA THR A 861 -16.017 10.188 -13.706 1.00 0.00 C ATOM 161 C THR A 861 -17.563 10.055 -13.608 1.00 0.00 C ATOM 162 O THR A 861 -18.160 10.412 -12.589 1.00 0.00 O ATOM 163 CB THR A 861 -15.308 9.111 -14.555 1.00 0.00 C ATOM 164 OG1 THR A 861 -13.905 9.278 -14.465 1.00 0.00 O ATOM 165 CG2 THR A 861 -15.605 9.110 -16.062 1.00 0.00 C ATOM 0 H THR A 861 -14.772 11.035 -12.232 1.00 0.00 H new ATOM 0 HA THR A 861 -15.874 11.132 -14.232 1.00 0.00 H new ATOM 0 HB THR A 861 -15.694 8.182 -14.136 1.00 0.00 H new ATOM 0 HG1 THR A 861 -13.459 8.592 -15.004 1.00 0.00 H new ATOM 0 HG21 THR A 861 -15.046 8.307 -16.542 1.00 0.00 H new ATOM 0 HG22 THR A 861 -16.672 8.956 -16.222 1.00 0.00 H new ATOM 0 HG23 THR A 861 -15.308 10.066 -16.492 1.00 0.00 H new ATOM 173 N GLU A 862 -18.253 9.586 -14.651 1.00 0.00 N ATOM 174 CA GLU A 862 -19.600 8.993 -14.544 1.00 0.00 C ATOM 175 C GLU A 862 -19.539 7.562 -13.957 1.00 0.00 C ATOM 176 O GLU A 862 -18.458 6.974 -13.870 1.00 0.00 O ATOM 177 CB GLU A 862 -20.277 9.003 -15.927 1.00 0.00 C ATOM 178 CG GLU A 862 -20.548 10.440 -16.407 1.00 0.00 C ATOM 179 CD GLU A 862 -21.251 10.490 -17.781 1.00 0.00 C ATOM 180 OE1 GLU A 862 -22.293 11.182 -17.905 1.00 0.00 O ATOM 181 OE2 GLU A 862 -20.751 9.882 -18.758 1.00 0.00 O1- ATOM 0 H GLU A 862 -17.894 9.605 -15.605 1.00 0.00 H new ATOM 0 HA GLU A 862 -20.196 9.593 -13.856 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -19.642 8.490 -16.649 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -21.215 8.450 -15.879 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -21.165 10.954 -15.670 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -19.604 10.982 -16.467 1.00 0.00 H new ATOM 188 N SER A 863 -20.686 6.997 -13.546 1.00 0.00 N ATOM 189 CA SER A 863 -20.797 5.681 -12.877 1.00 0.00 C ATOM 190 C SER A 863 -19.993 4.571 -13.570 1.00 0.00 C ATOM 191 O SER A 863 -20.042 4.401 -14.790 1.00 0.00 O ATOM 192 CB SER A 863 -22.261 5.266 -12.751 1.00 0.00 C ATOM 193 OG SER A 863 -22.946 6.234 -11.971 1.00 0.00 O ATOM 0 H SER A 863 -21.590 7.452 -13.671 1.00 0.00 H new ATOM 0 HA SER A 863 -20.362 5.809 -11.886 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.717 5.186 -13.738 1.00 0.00 H new ATOM 0 HB3 SER A 863 -22.336 4.284 -12.284 1.00 0.00 H new ATOM 0 HG SER A 863 -23.888 5.978 -11.885 1.00 0.00 H new ATOM 199 N ALA A 864 -19.234 3.818 -12.776 1.00 0.00 N ATOM 200 CA ALA A 864 -17.997 3.160 -13.193 1.00 0.00 C ATOM 201 C ALA A 864 -17.944 1.703 -12.723 1.00 0.00 C ATOM 202 O ALA A 864 -18.840 1.239 -12.028 1.00 0.00 O ATOM 203 CB ALA A 864 -16.842 3.970 -12.593 1.00 0.00 C ATOM 0 H ALA A 864 -19.469 3.644 -11.799 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.933 3.130 -14.281 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.893 3.516 -12.878 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.882 4.993 -12.968 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.929 3.978 -11.507 1.00 0.00 H new ATOM 209 N TRP A 865 -16.892 0.967 -13.062 1.00 0.00 N ATOM 210 CA TRP A 865 -16.629 -0.337 -12.446 1.00 0.00 C ATOM 211 C TRP A 865 -15.670 -0.232 -11.247 1.00 0.00 C ATOM 212 O TRP A 865 -15.157 0.840 -10.929 1.00 0.00 O ATOM 213 CB TRP A 865 -16.171 -1.305 -13.536 1.00 0.00 C ATOM 214 CG TRP A 865 -17.220 -1.585 -14.576 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.627 -0.723 -15.531 1.00 0.00 C ATOM 216 CD2 TRP A 865 -18.039 -2.780 -14.763 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.639 -1.289 -16.282 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.900 -2.591 -15.885 1.00 0.00 C ATOM 219 CE3 TRP A 865 -18.082 -4.036 -14.128 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.716 -3.628 -16.378 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.914 -5.075 -14.591 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.730 -4.877 -15.716 1.00 0.00 C ATOM 0 H TRP A 865 -16.204 1.248 -13.761 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.545 -0.736 -12.010 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -15.287 -0.895 -14.025 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.872 -2.245 -13.072 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -17.221 0.266 -15.686 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -19.132 -0.809 -17.035 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.460 -4.208 -13.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.326 -3.470 -17.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.924 -6.026 -14.079 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.365 -5.674 -16.074 1.00 0.00 H new ATOM 233 N VAL A 866 -15.453 -1.360 -10.569 1.00 0.00 N ATOM 234 CA VAL A 866 -14.405 -1.579 -9.555 1.00 0.00 C ATOM 235 C VAL A 866 -13.921 -3.031 -9.598 1.00 0.00 C ATOM 236 O VAL A 866 -14.716 -3.932 -9.866 1.00 0.00 O ATOM 237 CB VAL A 866 -14.889 -1.163 -8.153 1.00 0.00 C ATOM 238 CG1 VAL A 866 -16.059 -2.005 -7.638 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.768 -1.214 -7.113 1.00 0.00 C ATOM 0 H VAL A 866 -16.028 -2.190 -10.715 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.552 -0.942 -9.789 1.00 0.00 H new ATOM 0 HB VAL A 866 -15.229 -0.135 -8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.348 -1.658 -6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.905 -1.907 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.758 -3.051 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -14.159 -0.912 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.378 -2.230 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.967 -0.536 -7.408 1.00 0.00 H new ATOM 249 N ARG A 867 -12.618 -3.258 -9.380 1.00 0.00 N ATOM 250 CA ARG A 867 -11.998 -4.596 -9.296 1.00 0.00 C ATOM 251 C ARG A 867 -12.025 -5.151 -7.866 1.00 0.00 C ATOM 252 O ARG A 867 -11.838 -4.392 -6.914 1.00 0.00 O ATOM 253 CB ARG A 867 -10.536 -4.533 -9.779 1.00 0.00 C ATOM 254 CG ARG A 867 -10.116 -5.735 -10.647 1.00 0.00 C ATOM 255 CD ARG A 867 -8.644 -5.681 -11.082 1.00 0.00 C ATOM 256 NE ARG A 867 -7.756 -6.299 -10.077 1.00 0.00 N ATOM 257 CZ ARG A 867 -7.301 -5.736 -8.977 1.00 0.00 C ATOM 258 NH1 ARG A 867 -7.362 -4.458 -8.745 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.787 -6.452 -8.029 1.00 0.00 N ATOM 0 H ARG A 867 -11.946 -2.501 -9.254 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.579 -5.261 -9.935 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.391 -3.616 -10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.879 -4.476 -8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -10.290 -6.656 -10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.749 -5.774 -11.533 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.527 -6.195 -12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.349 -4.644 -11.240 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.465 -7.261 -10.253 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.780 -3.834 -9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -6.992 -4.080 -7.873 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -6.731 -7.466 -8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -6.438 -6.003 -7.182 1.00 0.00 H new ATOM 273 N CYS A 868 -12.116 -6.470 -7.723 1.00 0.00 N ATOM 274 CA CYS A 868 -11.769 -7.181 -6.503 1.00 0.00 C ATOM 275 C CYS A 868 -10.234 -7.266 -6.338 1.00 0.00 C ATOM 276 O CYS A 868 -9.531 -7.844 -7.173 1.00 0.00 O ATOM 277 CB CYS A 868 -12.457 -8.551 -6.529 1.00 0.00 C ATOM 278 SG CYS A 868 -12.048 -9.482 -5.014 1.00 0.00 S ATOM 0 H CYS A 868 -12.440 -7.085 -8.470 1.00 0.00 H new ATOM 0 HA CYS A 868 -12.127 -6.643 -5.625 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.537 -8.424 -6.607 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -12.137 -9.111 -7.408 1.00 0.00 H new ATOM 283 N ASP A 869 -9.717 -6.695 -5.250 1.00 0.00 N ATOM 284 CA ASP A 869 -8.318 -6.842 -4.825 1.00 0.00 C ATOM 285 C ASP A 869 -7.978 -8.185 -4.146 1.00 0.00 C ATOM 286 O ASP A 869 -6.802 -8.435 -3.874 1.00 0.00 O ATOM 287 CB ASP A 869 -7.909 -5.636 -3.961 1.00 0.00 C ATOM 288 CG ASP A 869 -7.646 -4.353 -4.772 1.00 0.00 C ATOM 289 OD1 ASP A 869 -7.890 -3.247 -4.245 1.00 0.00 O ATOM 290 OD2 ASP A 869 -7.115 -4.426 -5.910 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.266 -6.105 -4.625 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.721 -6.859 -5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.695 -5.439 -3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -7.010 -5.891 -3.400 1.00 0.00 H new ATOM 295 N ASP A 870 -8.953 -9.071 -3.902 1.00 0.00 N ATOM 296 CA ASP A 870 -8.694 -10.427 -3.391 1.00 0.00 C ATOM 297 C ASP A 870 -8.507 -11.425 -4.551 1.00 0.00 C ATOM 298 O ASP A 870 -7.476 -12.103 -4.625 1.00 0.00 O ATOM 299 CB ASP A 870 -9.802 -10.861 -2.410 1.00 0.00 C ATOM 300 CG ASP A 870 -9.468 -12.102 -1.553 1.00 0.00 C ATOM 301 OD1 ASP A 870 -10.339 -12.527 -0.758 1.00 0.00 O ATOM 302 OD2 ASP A 870 -8.337 -12.638 -1.623 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.942 -8.870 -4.052 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.759 -10.418 -2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -10.023 -10.027 -1.744 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.710 -11.064 -2.978 1.00 0.00 H new ATOM 307 N CYS A 871 -9.452 -11.438 -5.504 1.00 0.00 N ATOM 308 CA CYS A 871 -9.322 -12.111 -6.791 1.00 0.00 C ATOM 309 C CYS A 871 -9.034 -11.094 -7.933 1.00 0.00 C ATOM 310 O CYS A 871 -7.903 -10.617 -8.074 1.00 0.00 O ATOM 311 CB CYS A 871 -10.468 -13.148 -6.970 1.00 0.00 C ATOM 312 SG CYS A 871 -12.145 -12.536 -7.399 1.00 0.00 S ATOM 0 H CYS A 871 -10.349 -10.966 -5.390 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.430 -12.736 -6.838 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -10.162 -13.849 -7.747 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.549 -13.715 -6.043 1.00 0.00 H new ATOM 317 N PHE A 872 -10.048 -10.771 -8.734 1.00 0.00 N ATOM 318 CA PHE A 872 -9.956 -9.929 -9.938 1.00 0.00 C ATOM 319 C PHE A 872 -11.295 -9.403 -10.490 1.00 0.00 C ATOM 320 O PHE A 872 -11.285 -8.550 -11.379 1.00 0.00 O ATOM 321 CB PHE A 872 -9.283 -10.738 -11.056 1.00 0.00 C ATOM 322 CG PHE A 872 -10.127 -11.872 -11.619 1.00 0.00 C ATOM 323 CD1 PHE A 872 -10.071 -13.156 -11.042 1.00 0.00 C ATOM 324 CD2 PHE A 872 -11.003 -11.633 -12.697 1.00 0.00 C ATOM 325 CE1 PHE A 872 -10.890 -14.189 -11.535 1.00 0.00 C ATOM 326 CE2 PHE A 872 -11.825 -12.665 -13.188 1.00 0.00 C ATOM 327 CZ PHE A 872 -11.768 -13.943 -12.605 1.00 0.00 C ATOM 0 H PHE A 872 -10.998 -11.100 -8.559 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.386 -9.053 -9.628 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -9.021 -10.060 -11.869 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -8.350 -11.153 -10.674 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -9.398 -13.348 -10.219 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -11.044 -10.653 -13.149 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -10.844 -15.172 -11.091 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -12.498 -12.475 -14.011 1.00 0.00 H new ATOM 0 HZ PHE A 872 -12.399 -14.736 -12.979 1.00 0.00 H new ATOM 337 N LYS A 873 -12.437 -9.937 -10.040 1.00 0.00 N ATOM 338 CA LYS A 873 -13.763 -9.636 -10.609 1.00 0.00 C ATOM 339 C LYS A 873 -14.087 -8.149 -10.684 1.00 0.00 C ATOM 340 O LYS A 873 -13.818 -7.394 -9.754 1.00 0.00 O ATOM 341 CB LYS A 873 -14.882 -10.338 -9.846 1.00 0.00 C ATOM 342 CG LYS A 873 -14.928 -11.822 -10.214 1.00 0.00 C ATOM 343 CD LYS A 873 -16.342 -12.382 -10.136 1.00 0.00 C ATOM 344 CE LYS A 873 -16.849 -12.329 -8.692 1.00 0.00 C ATOM 345 NZ LYS A 873 -16.368 -13.474 -7.882 1.00 0.00 N1+ ATOM 0 H LYS A 873 -12.470 -10.597 -9.263 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.706 -10.016 -11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -14.724 -10.227 -8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -15.838 -9.869 -10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -14.539 -11.958 -11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -14.278 -12.383 -9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -17.005 -11.809 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -16.355 -13.410 -10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -16.523 -11.398 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.939 -12.320 -8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -16.737 -13.393 -6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -16.700 -14.363 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -15.328 -13.469 -7.857 1.00 0.00 H new ATOM 359 N TRP A 874 -14.739 -7.762 -11.772 1.00 0.00 N ATOM 360 CA TRP A 874 -15.270 -6.413 -11.983 1.00 0.00 C ATOM 361 C TRP A 874 -16.740 -6.306 -11.551 1.00 0.00 C ATOM 362 O TRP A 874 -17.524 -7.235 -11.759 1.00 0.00 O ATOM 363 CB TRP A 874 -15.084 -5.989 -13.444 1.00 0.00 C ATOM 364 CG TRP A 874 -13.675 -6.065 -13.949 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.152 -7.052 -14.708 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.568 -5.160 -13.667 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.805 -6.828 -14.908 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.394 -5.677 -14.289 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.427 -3.969 -12.927 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.148 -5.049 -14.207 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.165 -3.354 -12.807 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.035 -3.865 -13.458 1.00 0.00 C ATOM 0 H TRP A 874 -14.920 -8.390 -12.555 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.705 -5.727 -11.352 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.714 -6.618 -14.073 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.441 -4.965 -13.558 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.706 -7.892 -15.100 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.194 -7.441 -15.448 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.289 -3.526 -12.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.288 -5.466 -14.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.067 -2.467 -12.198 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.086 -3.354 -13.385 1.00 0.00 H new ATOM 383 N ARG A 875 -17.137 -5.146 -11.017 1.00 0.00 N ATOM 384 CA ARG A 875 -18.530 -4.796 -10.659 1.00 0.00 C ATOM 385 C ARG A 875 -18.873 -3.340 -10.955 1.00 0.00 C ATOM 386 O ARG A 875 -18.082 -2.463 -10.632 1.00 0.00 O ATOM 387 CB ARG A 875 -18.774 -5.079 -9.164 1.00 0.00 C ATOM 388 CG ARG A 875 -19.009 -6.562 -8.847 1.00 0.00 C ATOM 389 CD ARG A 875 -20.158 -7.183 -9.658 1.00 0.00 C ATOM 390 NE ARG A 875 -21.402 -6.374 -9.624 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.203 -6.102 -10.640 1.00 0.00 C ATOM 392 NH1 ARG A 875 -21.973 -6.509 -11.849 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.270 -5.387 -10.476 1.00 0.00 N ATOM 0 H ARG A 875 -16.480 -4.393 -10.812 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.177 -5.416 -11.279 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.916 -4.726 -8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.638 -4.504 -8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -18.093 -7.118 -9.044 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -19.225 -6.669 -7.784 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.839 -7.304 -10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.370 -8.180 -9.271 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.668 -5.986 -8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.143 -7.066 -12.050 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -22.622 -6.272 -12.599 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.504 -5.024 -9.552 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.877 -5.187 -11.271 1.00 0.00 H new ATOM 407 N ARG A 876 -20.049 -3.085 -11.543 1.00 0.00 N ATOM 408 CA ARG A 876 -20.561 -1.738 -11.862 1.00 0.00 C ATOM 409 C ARG A 876 -21.154 -1.072 -10.608 1.00 0.00 C ATOM 410 O ARG A 876 -22.051 -1.624 -9.971 1.00 0.00 O ATOM 411 CB ARG A 876 -21.562 -1.829 -13.036 1.00 0.00 C ATOM 412 CG ARG A 876 -21.504 -0.639 -14.012 1.00 0.00 C ATOM 413 CD ARG A 876 -21.826 0.743 -13.434 1.00 0.00 C ATOM 414 NE ARG A 876 -23.221 0.856 -12.958 1.00 0.00 N ATOM 415 CZ ARG A 876 -24.130 1.727 -13.362 1.00 0.00 C ATOM 416 NH1 ARG A 876 -23.896 2.577 -14.320 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -25.304 1.761 -12.800 1.00 0.00 N ATOM 0 H ARG A 876 -20.691 -3.828 -11.819 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.742 -1.095 -12.186 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.371 -2.748 -13.590 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.572 -1.904 -12.632 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -20.504 -0.602 -14.444 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.198 -0.836 -14.830 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -21.147 0.953 -12.607 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -21.645 1.501 -14.196 1.00 0.00 H new ATOM 0 HE ARG A 876 -23.513 0.191 -12.242 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -22.988 2.585 -14.784 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -24.621 3.235 -14.606 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -25.526 1.114 -12.044 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -26.001 2.435 -13.116 1.00 0.00 H new ATOM 431 N ILE A 877 -20.656 0.117 -10.279 1.00 0.00 N ATOM 432 CA ILE A 877 -20.968 0.939 -9.096 1.00 0.00 C ATOM 433 C ILE A 877 -21.252 2.405 -9.490 1.00 0.00 C ATOM 434 O ILE A 877 -20.817 2.854 -10.553 1.00 0.00 O ATOM 435 CB ILE A 877 -19.789 0.862 -8.088 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.509 1.532 -8.647 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.544 -0.601 -7.672 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.344 1.575 -7.659 1.00 0.00 C ATOM 0 H ILE A 877 -19.967 0.574 -10.876 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.871 0.547 -8.627 1.00 0.00 H new ATOM 0 HB ILE A 877 -20.062 1.426 -7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.193 0.996 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.749 2.550 -8.953 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.715 -0.644 -6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.443 -1.001 -7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.300 -1.194 -8.554 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.487 2.059 -8.128 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.639 2.137 -6.773 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -17.074 0.559 -7.371 1.00 0.00 H new ATOM 450 N PRO A 878 -21.927 3.206 -8.647 1.00 0.00 N ATOM 451 CA PRO A 878 -21.965 4.654 -8.833 1.00 0.00 C ATOM 452 C PRO A 878 -20.593 5.297 -8.583 1.00 0.00 C ATOM 453 O PRO A 878 -19.807 4.849 -7.741 1.00 0.00 O ATOM 454 CB PRO A 878 -23.030 5.159 -7.854 1.00 0.00 C ATOM 455 CG PRO A 878 -22.960 4.140 -6.717 1.00 0.00 C ATOM 456 CD PRO A 878 -22.655 2.829 -7.442 1.00 0.00 C ATOM 0 HA PRO A 878 -22.213 4.923 -9.860 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -22.812 6.169 -7.506 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.019 5.186 -8.312 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.182 4.393 -5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.899 4.086 -6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -22.059 2.165 -6.816 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.573 2.296 -7.690 1.00 0.00 H new ATOM 464 N ALA A 879 -20.323 6.401 -9.280 1.00 0.00 N ATOM 465 CA ALA A 879 -19.075 7.164 -9.170 1.00 0.00 C ATOM 466 C ALA A 879 -18.759 7.659 -7.743 1.00 0.00 C ATOM 467 O ALA A 879 -17.593 7.811 -7.378 1.00 0.00 O ATOM 468 CB ALA A 879 -19.183 8.354 -10.126 1.00 0.00 C ATOM 0 H ALA A 879 -20.979 6.800 -9.952 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.251 6.499 -9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.270 8.948 -10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.321 7.991 -11.145 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.035 8.972 -9.843 1.00 0.00 H new ATOM 474 N SER A 880 -19.783 7.841 -6.907 1.00 0.00 N ATOM 475 CA SER A 880 -19.649 8.209 -5.490 1.00 0.00 C ATOM 476 C SER A 880 -18.867 7.163 -4.685 1.00 0.00 C ATOM 477 O SER A 880 -18.210 7.507 -3.701 1.00 0.00 O ATOM 478 CB SER A 880 -21.038 8.384 -4.861 1.00 0.00 C ATOM 479 OG SER A 880 -21.820 9.295 -5.619 1.00 0.00 O ATOM 0 H SER A 880 -20.754 7.735 -7.201 1.00 0.00 H new ATOM 0 HA SER A 880 -19.092 9.145 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 880 -21.543 7.420 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 880 -20.937 8.747 -3.838 1.00 0.00 H new ATOM 0 HG SER A 880 -22.702 9.393 -5.204 1.00 0.00 H new ATOM 485 N VAL A 881 -18.894 5.894 -5.118 1.00 0.00 N ATOM 486 CA VAL A 881 -18.073 4.816 -4.550 1.00 0.00 C ATOM 487 C VAL A 881 -16.731 4.726 -5.258 1.00 0.00 C ATOM 488 O VAL A 881 -15.716 4.583 -4.586 1.00 0.00 O ATOM 489 CB VAL A 881 -18.826 3.466 -4.545 1.00 0.00 C ATOM 490 CG1 VAL A 881 -18.007 2.298 -3.984 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.101 3.564 -3.695 1.00 0.00 C ATOM 0 H VAL A 881 -19.494 5.584 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.873 5.060 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 881 -19.045 3.265 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.605 1.387 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -17.108 2.162 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.726 2.513 -2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.618 2.605 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.836 3.825 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.755 4.332 -4.107 1.00 0.00 H new ATOM 501 N VAL A 882 -16.674 4.902 -6.583 1.00 0.00 N ATOM 502 CA VAL A 882 -15.388 4.763 -7.306 1.00 0.00 C ATOM 503 C VAL A 882 -14.366 5.849 -6.935 1.00 0.00 C ATOM 504 O VAL A 882 -13.161 5.648 -7.082 1.00 0.00 O ATOM 505 CB VAL A 882 -15.571 4.641 -8.832 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.500 5.976 -9.569 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.487 3.743 -9.442 1.00 0.00 C ATOM 0 H VAL A 882 -17.475 5.135 -7.170 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.967 3.817 -6.965 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.568 4.220 -8.957 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.637 5.810 -10.637 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.285 6.637 -9.201 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.527 6.436 -9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.637 3.672 -10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.505 4.170 -9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.548 2.748 -9.001 1.00 0.00 H new ATOM 517 N GLY A 883 -14.848 6.987 -6.427 1.00 0.00 N ATOM 518 CA GLY A 883 -14.021 8.075 -5.891 1.00 0.00 C ATOM 519 C GLY A 883 -13.681 7.938 -4.398 1.00 0.00 C ATOM 520 O GLY A 883 -12.708 8.535 -3.932 1.00 0.00 O ATOM 0 H GLY A 883 -15.848 7.183 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.092 8.123 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -14.540 9.021 -6.048 1.00 0.00 H new ATOM 524 N SER A 884 -14.454 7.142 -3.647 1.00 0.00 N ATOM 525 CA SER A 884 -14.155 6.756 -2.258 1.00 0.00 C ATOM 526 C SER A 884 -13.123 5.617 -2.199 1.00 0.00 C ATOM 527 O SER A 884 -12.187 5.646 -1.394 1.00 0.00 O ATOM 528 CB SER A 884 -15.457 6.348 -1.557 1.00 0.00 C ATOM 529 OG SER A 884 -15.219 6.016 -0.199 1.00 0.00 O ATOM 0 H SER A 884 -15.324 6.739 -3.994 1.00 0.00 H new ATOM 0 HA SER A 884 -13.717 7.611 -1.743 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.177 7.164 -1.615 1.00 0.00 H new ATOM 0 HB3 SER A 884 -15.900 5.495 -2.072 1.00 0.00 H new ATOM 0 HG SER A 884 -16.063 5.761 0.228 1.00 0.00 H new ATOM 535 N ILE A 885 -13.254 4.644 -3.107 1.00 0.00 N ATOM 536 CA ILE A 885 -12.269 3.597 -3.395 1.00 0.00 C ATOM 537 C ILE A 885 -11.000 4.223 -4.012 1.00 0.00 C ATOM 538 O ILE A 885 -11.054 5.215 -4.740 1.00 0.00 O ATOM 539 CB ILE A 885 -12.932 2.520 -4.294 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.731 1.462 -3.495 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.935 1.733 -5.157 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.765 1.976 -2.489 1.00 0.00 C ATOM 0 H ILE A 885 -14.088 4.562 -3.688 1.00 0.00 H new ATOM 0 HA ILE A 885 -11.945 3.100 -2.481 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.594 3.113 -4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -14.245 0.818 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -13.019 0.837 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.473 0.999 -5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.402 2.420 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.221 1.221 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.250 1.130 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.268 2.592 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.514 2.573 -3.010 1.00 0.00 H new ATOM 554 N ASP A 886 -9.849 3.624 -3.706 1.00 0.00 N ATOM 555 CA ASP A 886 -8.518 3.983 -4.212 1.00 0.00 C ATOM 556 C ASP A 886 -7.569 2.782 -4.053 1.00 0.00 C ATOM 557 O ASP A 886 -7.968 1.717 -3.582 1.00 0.00 O ATOM 558 CB ASP A 886 -8.001 5.218 -3.437 1.00 0.00 C ATOM 559 CG ASP A 886 -6.906 6.053 -4.141 1.00 0.00 C ATOM 560 OD1 ASP A 886 -6.532 7.119 -3.597 1.00 0.00 O ATOM 561 OD2 ASP A 886 -6.399 5.659 -5.219 1.00 0.00 O1- ATOM 0 H ASP A 886 -9.815 2.832 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 886 -8.568 4.236 -5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -8.848 5.871 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -7.612 4.882 -2.476 1.00 0.00 H new ATOM 566 N GLU A 887 -6.298 2.936 -4.412 1.00 0.00 N ATOM 567 CA GLU A 887 -5.220 1.996 -4.069 1.00 0.00 C ATOM 568 C GLU A 887 -4.821 2.031 -2.588 1.00 0.00 C ATOM 569 O GLU A 887 -4.233 1.078 -2.074 1.00 0.00 O ATOM 570 CB GLU A 887 -4.000 2.308 -4.939 1.00 0.00 C ATOM 571 CG GLU A 887 -4.229 1.796 -6.365 1.00 0.00 C ATOM 572 CD GLU A 887 -4.244 0.257 -6.402 1.00 0.00 C ATOM 573 OE1 GLU A 887 -5.326 -0.351 -6.579 1.00 0.00 O ATOM 574 OE2 GLU A 887 -3.190 -0.373 -6.170 1.00 0.00 O1- ATOM 0 H GLU A 887 -5.975 3.733 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 887 -5.596 0.991 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 887 -3.819 3.383 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 887 -3.111 1.841 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 887 -5.174 2.182 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 887 -3.444 2.172 -7.021 1.00 0.00 H new ATOM 581 N SER A 888 -5.187 3.106 -1.889 1.00 0.00 N ATOM 582 CA SER A 888 -5.131 3.192 -0.421 1.00 0.00 C ATOM 583 C SER A 888 -6.282 2.431 0.273 1.00 0.00 C ATOM 584 O SER A 888 -6.349 2.388 1.505 1.00 0.00 O ATOM 585 CB SER A 888 -5.078 4.664 -0.006 1.00 0.00 C ATOM 586 OG SER A 888 -6.306 5.316 -0.280 1.00 0.00 O ATOM 0 H SER A 888 -5.537 3.957 -2.329 1.00 0.00 H new ATOM 0 HA SER A 888 -4.222 2.693 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 888 -4.853 4.737 1.058 1.00 0.00 H new ATOM 0 HB3 SER A 888 -4.270 5.166 -0.538 1.00 0.00 H new ATOM 0 HG SER A 888 -6.247 6.255 -0.004 1.00 0.00 H new ATOM 592 N SER A 889 -7.164 1.792 -0.509 1.00 0.00 N ATOM 593 CA SER A 889 -8.250 0.905 -0.078 1.00 0.00 C ATOM 594 C SER A 889 -8.178 -0.456 -0.799 1.00 0.00 C ATOM 595 O SER A 889 -7.440 -0.617 -1.777 1.00 0.00 O ATOM 596 CB SER A 889 -9.595 1.606 -0.319 1.00 0.00 C ATOM 597 OG SER A 889 -10.661 0.846 0.225 1.00 0.00 O ATOM 0 H SER A 889 -7.134 1.888 -1.524 1.00 0.00 H new ATOM 0 HA SER A 889 -8.147 0.698 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 889 -9.580 2.597 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 889 -9.751 1.747 -1.389 1.00 0.00 H new ATOM 0 HG SER A 889 -11.509 1.309 0.063 1.00 0.00 H new ATOM 603 N ARG A 890 -8.944 -1.444 -0.324 1.00 0.00 N ATOM 604 CA ARG A 890 -9.079 -2.784 -0.923 1.00 0.00 C ATOM 605 C ARG A 890 -10.554 -3.173 -1.030 1.00 0.00 C ATOM 606 O ARG A 890 -11.137 -3.718 -0.092 1.00 0.00 O ATOM 607 CB ARG A 890 -8.252 -3.823 -0.141 1.00 0.00 C ATOM 608 CG ARG A 890 -6.738 -3.615 -0.315 1.00 0.00 C ATOM 609 CD ARG A 890 -5.917 -4.722 0.360 1.00 0.00 C ATOM 610 NE ARG A 890 -6.087 -4.740 1.828 1.00 0.00 N ATOM 611 CZ ARG A 890 -5.464 -3.985 2.718 1.00 0.00 C ATOM 612 NH1 ARG A 890 -4.581 -3.088 2.379 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -5.723 -4.118 3.988 1.00 0.00 N ATOM 0 H ARG A 890 -9.509 -1.333 0.518 1.00 0.00 H new ATOM 0 HA ARG A 890 -8.676 -2.761 -1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.505 -3.764 0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -8.520 -4.825 -0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -6.497 -3.584 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -6.456 -2.649 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -6.212 -5.689 -0.048 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -4.862 -4.584 0.122 1.00 0.00 H new ATOM 0 HE ARG A 890 -6.761 -5.411 2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -4.348 -2.948 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -4.123 -2.526 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -6.408 -4.806 4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -5.240 -3.534 4.671 1.00 0.00 H new ATOM 627 N TRP A 891 -11.160 -2.873 -2.179 1.00 0.00 N ATOM 628 CA TRP A 891 -12.514 -3.322 -2.519 1.00 0.00 C ATOM 629 C TRP A 891 -12.466 -4.792 -2.945 1.00 0.00 C ATOM 630 O TRP A 891 -11.590 -5.165 -3.727 1.00 0.00 O ATOM 631 CB TRP A 891 -13.095 -2.433 -3.622 1.00 0.00 C ATOM 632 CG TRP A 891 -14.572 -2.564 -3.843 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.481 -1.682 -3.378 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.344 -3.596 -4.540 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.747 -2.049 -3.767 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.730 -3.246 -4.452 1.00 0.00 C ATOM 637 CE3 TRP A 891 -15.024 -4.789 -5.230 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.744 -4.049 -4.989 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -16.039 -5.598 -5.782 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.391 -5.236 -5.648 1.00 0.00 C ATOM 0 H TRP A 891 -10.723 -2.307 -2.907 1.00 0.00 H new ATOM 0 HA TRP A 891 -13.166 -3.239 -1.650 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.872 -1.393 -3.383 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.583 -2.662 -4.557 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -15.247 -0.811 -2.784 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.589 -1.507 -3.574 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.990 -5.084 -5.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.780 -3.759 -4.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.776 -6.502 -6.311 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -18.161 -5.875 -6.054 1.00 0.00 H new ATOM 651 N ILE A 892 -13.373 -5.629 -2.436 1.00 0.00 N ATOM 652 CA ILE A 892 -13.419 -7.073 -2.729 1.00 0.00 C ATOM 653 C ILE A 892 -14.863 -7.583 -2.862 1.00 0.00 C ATOM 654 O ILE A 892 -15.791 -6.957 -2.337 1.00 0.00 O ATOM 655 CB ILE A 892 -12.641 -7.874 -1.658 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.342 -7.827 -0.284 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.175 -7.414 -1.537 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.921 -8.967 0.642 1.00 0.00 C ATOM 0 H ILE A 892 -14.109 -5.323 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.934 -7.229 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.634 -8.910 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.121 -6.875 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.421 -7.866 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.670 -8.005 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.671 -7.550 -2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.146 -6.361 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.449 -8.878 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.167 -9.922 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.846 -8.915 0.818 1.00 0.00 H new ATOM 670 N CYS A 893 -15.050 -8.766 -3.457 1.00 0.00 N ATOM 671 CA CYS A 893 -16.342 -9.443 -3.527 1.00 0.00 C ATOM 672 C CYS A 893 -17.062 -9.511 -2.156 1.00 0.00 C ATOM 673 O CYS A 893 -18.240 -9.178 -2.075 1.00 0.00 O ATOM 674 CB CYS A 893 -16.182 -10.845 -4.137 1.00 0.00 C ATOM 675 SG CYS A 893 -15.426 -10.859 -5.795 1.00 0.00 S ATOM 0 H CYS A 893 -14.296 -9.284 -3.908 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.979 -8.845 -4.178 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.573 -11.452 -3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.162 -11.318 -4.193 1.00 0.00 H new ATOM 680 N MET A 894 -16.387 -9.915 -1.068 1.00 0.00 N ATOM 681 CA MET A 894 -17.066 -10.110 0.229 1.00 0.00 C ATOM 682 C MET A 894 -17.566 -8.794 0.871 1.00 0.00 C ATOM 683 O MET A 894 -18.393 -8.826 1.783 1.00 0.00 O ATOM 684 CB MET A 894 -16.169 -10.889 1.204 1.00 0.00 C ATOM 685 CG MET A 894 -15.750 -12.259 0.652 1.00 0.00 C ATOM 686 SD MET A 894 -14.879 -13.328 1.835 1.00 0.00 S ATOM 687 CE MET A 894 -13.309 -12.435 2.008 1.00 0.00 C ATOM 0 H MET A 894 -15.386 -10.111 -1.056 1.00 0.00 H new ATOM 0 HA MET A 894 -17.958 -10.699 0.017 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.278 -10.301 1.421 1.00 0.00 H new ATOM 0 HB3 MET A 894 -16.698 -11.027 2.147 1.00 0.00 H new ATOM 0 HG2 MET A 894 -16.640 -12.781 0.301 1.00 0.00 H new ATOM 0 HG3 MET A 894 -15.109 -12.104 -0.216 1.00 0.00 H new ATOM 0 HE1 MET A 894 -12.649 -12.986 2.677 1.00 0.00 H new ATOM 0 HE2 MET A 894 -12.836 -12.338 1.031 1.00 0.00 H new ATOM 0 HE3 MET A 894 -13.498 -11.444 2.420 1.00 0.00 H new ATOM 697 N ASN A 895 -17.094 -7.638 0.384 1.00 0.00 N ATOM 698 CA ASN A 895 -17.562 -6.294 0.760 1.00 0.00 C ATOM 699 C ASN A 895 -18.740 -5.794 -0.111 1.00 0.00 C ATOM 700 O ASN A 895 -19.396 -4.811 0.242 1.00 0.00 O ATOM 701 CB ASN A 895 -16.339 -5.342 0.754 1.00 0.00 C ATOM 702 CG ASN A 895 -16.441 -4.133 -0.169 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.549 -2.996 0.264 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.395 -4.337 -1.464 1.00 0.00 N ATOM 0 H ASN A 895 -16.347 -7.611 -0.310 1.00 0.00 H new ATOM 0 HA ASN A 895 -17.985 -6.324 1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.175 -4.986 1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.457 -5.917 0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.449 -3.547 -2.107 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.305 -5.286 -1.828 1.00 0.00 H new ATOM 711 N ASN A 896 -18.986 -6.438 -1.257 1.00 0.00 N ATOM 712 CA ASN A 896 -19.918 -5.992 -2.293 1.00 0.00 C ATOM 713 C ASN A 896 -21.362 -5.842 -1.777 1.00 0.00 C ATOM 714 O ASN A 896 -21.900 -6.718 -1.095 1.00 0.00 O ATOM 715 CB ASN A 896 -19.855 -6.988 -3.466 1.00 0.00 C ATOM 716 CG ASN A 896 -20.630 -6.590 -4.707 1.00 0.00 C ATOM 717 OD1 ASN A 896 -21.153 -5.496 -4.854 1.00 0.00 O ATOM 718 ND2 ASN A 896 -20.741 -7.495 -5.646 1.00 0.00 N ATOM 0 H ASN A 896 -18.524 -7.316 -1.495 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.616 -4.997 -2.621 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.810 -7.130 -3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.228 -7.952 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.263 -7.286 -6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.306 -8.410 -5.527 1.00 0.00 H new ATOM 725 N SER A 897 -22.005 -4.750 -2.188 1.00 0.00 N ATOM 726 CA SER A 897 -23.446 -4.508 -2.029 1.00 0.00 C ATOM 727 C SER A 897 -24.324 -5.571 -2.701 1.00 0.00 C ATOM 728 O SER A 897 -25.338 -5.999 -2.147 1.00 0.00 O ATOM 729 CB SER A 897 -23.788 -3.168 -2.681 1.00 0.00 C ATOM 730 OG SER A 897 -23.272 -2.090 -1.913 1.00 0.00 O ATOM 0 H SER A 897 -21.525 -3.982 -2.657 1.00 0.00 H new ATOM 0 HA SER A 897 -23.649 -4.529 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.376 -3.133 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.869 -3.069 -2.775 1.00 0.00 H new ATOM 0 HG SER A 897 -23.499 -1.241 -2.347 1.00 0.00 H new ATOM 736 N ASP A 898 -23.948 -5.978 -3.912 1.00 0.00 N ATOM 737 CA ASP A 898 -24.740 -6.864 -4.773 1.00 0.00 C ATOM 738 C ASP A 898 -24.527 -8.343 -4.428 1.00 0.00 C ATOM 739 O ASP A 898 -23.542 -8.969 -4.829 1.00 0.00 O ATOM 740 CB ASP A 898 -24.438 -6.624 -6.262 1.00 0.00 C ATOM 741 CG ASP A 898 -24.513 -5.165 -6.749 1.00 0.00 C ATOM 742 OD1 ASP A 898 -23.821 -4.860 -7.750 1.00 0.00 O ATOM 743 OD2 ASP A 898 -25.283 -4.348 -6.192 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.064 -5.696 -4.335 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.786 -6.619 -4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.438 -7.004 -6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.136 -7.218 -6.852 1.00 0.00 H new ATOM 748 N LYS A 899 -25.510 -8.933 -3.748 1.00 0.00 N ATOM 749 CA LYS A 899 -25.533 -10.340 -3.297 1.00 0.00 C ATOM 750 C LYS A 899 -25.437 -11.355 -4.449 1.00 0.00 C ATOM 751 O LYS A 899 -25.023 -12.494 -4.233 1.00 0.00 O ATOM 752 CB LYS A 899 -26.803 -10.582 -2.459 1.00 0.00 C ATOM 753 CG LYS A 899 -26.892 -9.705 -1.197 1.00 0.00 C ATOM 754 CD LYS A 899 -26.127 -10.330 -0.027 1.00 0.00 C ATOM 755 CE LYS A 899 -26.927 -11.485 0.591 1.00 0.00 C ATOM 756 NZ LYS A 899 -26.202 -12.109 1.729 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.354 -8.427 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.643 -10.501 -2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.678 -10.396 -3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.838 -11.631 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.488 -8.715 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.937 -9.569 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -25.160 -10.695 -0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.929 -9.572 0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -27.894 -11.116 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -27.126 -12.239 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -26.773 -12.885 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -25.291 -12.484 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -26.035 -11.396 2.467 1.00 0.00 H new ATOM 770 N ARG A 900 -25.735 -10.915 -5.679 1.00 0.00 N ATOM 771 CA ARG A 900 -25.510 -11.642 -6.945 1.00 0.00 C ATOM 772 C ARG A 900 -24.029 -11.974 -7.195 1.00 0.00 C ATOM 773 O ARG A 900 -23.743 -12.969 -7.861 1.00 0.00 O ATOM 774 CB ARG A 900 -26.052 -10.785 -8.104 1.00 0.00 C ATOM 775 CG ARG A 900 -27.588 -10.737 -8.165 1.00 0.00 C ATOM 776 CD ARG A 900 -28.093 -9.722 -9.203 1.00 0.00 C ATOM 777 NE ARG A 900 -27.740 -10.103 -10.587 1.00 0.00 N ATOM 778 CZ ARG A 900 -27.376 -9.298 -11.573 1.00 0.00 C ATOM 779 NH1 ARG A 900 -27.272 -8.008 -11.449 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -27.087 -9.762 -12.751 1.00 0.00 N ATOM 0 H ARG A 900 -26.160 -10.000 -5.830 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.035 -12.595 -6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -25.668 -9.770 -8.005 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -25.671 -11.179 -9.046 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -27.972 -11.727 -8.410 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -27.982 -10.477 -7.182 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -29.176 -9.631 -9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -27.673 -8.741 -8.981 1.00 0.00 H new ATOM 0 HE ARG A 900 -27.782 -11.098 -10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -27.476 -7.564 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -26.986 -7.440 -12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -27.138 -10.765 -12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -26.809 -9.124 -13.496 1.00 0.00 H new ATOM 794 N PHE A 901 -23.103 -11.174 -6.654 1.00 0.00 N ATOM 795 CA PHE A 901 -21.653 -11.299 -6.889 1.00 0.00 C ATOM 796 C PHE A 901 -20.771 -11.141 -5.638 1.00 0.00 C ATOM 797 O PHE A 901 -19.558 -10.978 -5.751 1.00 0.00 O ATOM 798 CB PHE A 901 -21.179 -10.317 -7.980 1.00 0.00 C ATOM 799 CG PHE A 901 -22.088 -10.081 -9.170 1.00 0.00 C ATOM 800 CD1 PHE A 901 -21.822 -10.690 -10.411 1.00 0.00 C ATOM 801 CD2 PHE A 901 -23.158 -9.174 -9.054 1.00 0.00 C ATOM 802 CE1 PHE A 901 -22.687 -10.456 -11.496 1.00 0.00 C ATOM 803 CE2 PHE A 901 -23.995 -8.913 -10.151 1.00 0.00 C ATOM 804 CZ PHE A 901 -23.769 -9.570 -11.369 1.00 0.00 C ATOM 0 H PHE A 901 -23.342 -10.405 -6.028 1.00 0.00 H new ATOM 0 HA PHE A 901 -21.524 -12.329 -7.220 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -20.995 -9.354 -7.505 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -20.221 -10.675 -8.358 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -20.961 -11.331 -10.529 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -23.337 -8.674 -8.113 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -22.517 -10.962 -12.435 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -24.809 -8.209 -10.057 1.00 0.00 H new ATOM 0 HZ PHE A 901 -24.426 -9.395 -12.208 1.00 0.00 H new ATOM 814 N ALA A 902 -21.357 -11.155 -4.443 1.00 0.00 N ATOM 815 CA ALA A 902 -20.694 -10.797 -3.185 1.00 0.00 C ATOM 816 C ALA A 902 -19.829 -11.914 -2.558 1.00 0.00 C ATOM 817 O ALA A 902 -19.680 -12.000 -1.340 1.00 0.00 O ATOM 818 CB ALA A 902 -21.720 -10.179 -2.222 1.00 0.00 C ATOM 0 H ALA A 902 -22.333 -11.423 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.944 -10.041 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -21.227 -9.913 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.150 -9.285 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.512 -10.901 -2.022 1.00 0.00 H new ATOM 824 N ASP A 903 -19.238 -12.765 -3.399 1.00 0.00 N ATOM 825 CA ASP A 903 -18.246 -13.782 -3.045 1.00 0.00 C ATOM 826 C ASP A 903 -17.265 -14.000 -4.203 1.00 0.00 C ATOM 827 O ASP A 903 -17.652 -13.971 -5.374 1.00 0.00 O ATOM 828 CB ASP A 903 -18.937 -15.103 -2.676 1.00 0.00 C ATOM 829 CG ASP A 903 -19.589 -15.116 -1.280 1.00 0.00 C ATOM 830 OD1 ASP A 903 -20.825 -15.319 -1.188 1.00 0.00 O ATOM 831 OD2 ASP A 903 -18.855 -15.017 -0.268 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.449 -12.763 -4.397 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.687 -13.429 -2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.702 -15.319 -3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.204 -15.908 -2.728 1.00 0.00 H new ATOM 836 N CYS A 904 -16.006 -14.317 -3.895 1.00 0.00 N ATOM 837 CA CYS A 904 -15.012 -14.716 -4.888 1.00 0.00 C ATOM 838 C CYS A 904 -15.437 -15.998 -5.671 1.00 0.00 C ATOM 839 O CYS A 904 -14.911 -16.268 -6.752 1.00 0.00 O ATOM 840 CB CYS A 904 -13.656 -14.834 -4.171 1.00 0.00 C ATOM 841 SG CYS A 904 -13.121 -13.228 -3.463 1.00 0.00 S ATOM 0 H CYS A 904 -15.647 -14.303 -2.941 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.926 -13.960 -5.668 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.728 -15.576 -3.376 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.903 -15.191 -4.873 1.00 0.00 H new ATOM 846 N SER A 905 -16.412 -16.752 -5.140 1.00 0.00 N ATOM 847 CA SER A 905 -17.003 -17.948 -5.763 1.00 0.00 C ATOM 848 C SER A 905 -18.148 -17.632 -6.736 1.00 0.00 C ATOM 849 O SER A 905 -18.456 -18.455 -7.604 1.00 0.00 O ATOM 850 CB SER A 905 -17.547 -18.896 -4.692 1.00 0.00 C ATOM 851 OG SER A 905 -16.512 -19.355 -3.834 1.00 0.00 O ATOM 0 H SER A 905 -16.826 -16.538 -4.232 1.00 0.00 H new ATOM 0 HA SER A 905 -16.194 -18.409 -6.329 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.309 -18.385 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 905 -18.031 -19.748 -5.170 1.00 0.00 H new ATOM 0 HG SER A 905 -16.889 -19.957 -3.159 1.00 0.00 H new ATOM 857 N LYS A 906 -18.794 -16.461 -6.607 1.00 0.00 N ATOM 858 CA LYS A 906 -19.787 -15.968 -7.582 1.00 0.00 C ATOM 859 C LYS A 906 -19.130 -15.516 -8.895 1.00 0.00 C ATOM 860 O LYS A 906 -17.903 -15.538 -9.019 1.00 0.00 O ATOM 861 CB LYS A 906 -20.554 -14.792 -6.972 1.00 0.00 C ATOM 862 CG LYS A 906 -21.603 -15.085 -5.890 1.00 0.00 C ATOM 863 CD LYS A 906 -22.788 -15.956 -6.339 1.00 0.00 C ATOM 864 CE LYS A 906 -22.540 -17.453 -6.090 1.00 0.00 C ATOM 865 NZ LYS A 906 -23.708 -18.276 -6.505 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.643 -15.827 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.464 -16.791 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.823 -14.104 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.054 -14.265 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -21.109 -15.578 -5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.991 -14.137 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.687 -15.645 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.974 -15.793 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.655 -17.773 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.335 -17.618 -5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -23.507 -19.280 -6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -24.547 -17.987 -5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.888 -18.137 -7.520 1.00 0.00 H new ATOM 879 N SER A 907 -19.930 -15.044 -9.859 1.00 0.00 N ATOM 880 CA SER A 907 -19.430 -14.634 -11.176 1.00 0.00 C ATOM 881 C SER A 907 -20.245 -13.561 -11.909 1.00 0.00 C ATOM 882 O SER A 907 -21.447 -13.392 -11.717 1.00 0.00 O ATOM 883 CB SER A 907 -19.275 -15.857 -12.061 1.00 0.00 C ATOM 884 OG SER A 907 -18.431 -15.574 -13.164 1.00 0.00 O ATOM 0 H SER A 907 -20.938 -14.936 -9.748 1.00 0.00 H new ATOM 0 HA SER A 907 -18.473 -14.154 -10.973 1.00 0.00 H new ATOM 0 HB2 SER A 907 -18.860 -16.681 -11.481 1.00 0.00 H new ATOM 0 HB3 SER A 907 -20.253 -16.180 -12.418 1.00 0.00 H new ATOM 0 HG SER A 907 -18.342 -16.375 -13.722 1.00 0.00 H new ATOM 890 N GLN A 908 -19.485 -12.855 -12.736 1.00 0.00 N ATOM 891 CA GLN A 908 -19.572 -11.503 -13.302 1.00 0.00 C ATOM 892 C GLN A 908 -20.703 -11.246 -14.316 1.00 0.00 C ATOM 893 O GLN A 908 -21.285 -12.170 -14.886 1.00 0.00 O ATOM 894 CB GLN A 908 -18.197 -11.253 -13.946 1.00 0.00 C ATOM 895 CG GLN A 908 -17.807 -9.782 -14.121 1.00 0.00 C ATOM 896 CD GLN A 908 -16.295 -9.671 -14.291 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.515 -9.965 -13.399 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.817 -9.289 -15.447 1.00 0.00 N ATOM 0 H GLN A 908 -18.638 -13.299 -13.090 1.00 0.00 H new ATOM 0 HA GLN A 908 -19.827 -10.814 -12.497 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -17.436 -11.742 -13.338 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.181 -11.734 -14.924 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.313 -9.362 -14.990 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.129 -9.204 -13.255 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.453 -9.039 -16.204 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.808 -9.241 -15.591 1.00 0.00 H new ATOM 907 N GLU A 909 -21.008 -9.961 -14.548 1.00 0.00 N ATOM 908 CA GLU A 909 -22.129 -9.514 -15.390 1.00 0.00 C ATOM 909 C GLU A 909 -21.750 -9.373 -16.878 1.00 0.00 C ATOM 910 O GLU A 909 -22.583 -9.612 -17.753 1.00 0.00 O ATOM 911 CB GLU A 909 -22.659 -8.204 -14.787 1.00 0.00 C ATOM 912 CG GLU A 909 -24.047 -7.776 -15.286 1.00 0.00 C ATOM 913 CD GLU A 909 -24.840 -7.033 -14.188 1.00 0.00 C ATOM 914 OE1 GLU A 909 -26.034 -7.363 -13.977 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.268 -6.151 -13.498 1.00 0.00 O1- ATOM 0 H GLU A 909 -20.474 -9.189 -14.149 1.00 0.00 H new ATOM 0 HA GLU A 909 -22.913 -10.271 -15.390 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -22.696 -8.309 -13.703 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -21.949 -7.407 -15.006 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -23.938 -7.130 -16.157 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -24.606 -8.655 -15.608 1.00 0.00 H new ATOM 922 N MET A 910 -20.477 -9.061 -17.160 1.00 0.00 N ATOM 923 CA MET A 910 -19.839 -9.138 -18.488 1.00 0.00 C ATOM 924 C MET A 910 -18.404 -9.651 -18.339 1.00 0.00 C ATOM 925 O MET A 910 -17.702 -9.196 -17.440 1.00 0.00 O ATOM 926 CB MET A 910 -19.783 -7.758 -19.168 1.00 0.00 C ATOM 927 CG MET A 910 -21.144 -7.194 -19.585 1.00 0.00 C ATOM 928 SD MET A 910 -21.919 -8.075 -20.970 1.00 0.00 S ATOM 929 CE MET A 910 -23.470 -7.142 -21.080 1.00 0.00 C ATOM 0 H MET A 910 -19.833 -8.734 -16.440 1.00 0.00 H new ATOM 0 HA MET A 910 -20.435 -9.814 -19.100 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.305 -7.052 -18.488 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.148 -7.829 -20.051 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.816 -7.225 -18.727 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.023 -6.146 -19.858 1.00 0.00 H new ATOM 0 HE1 MET A 910 -24.082 -7.547 -21.886 1.00 0.00 H new ATOM 0 HE2 MET A 910 -24.011 -7.224 -20.138 1.00 0.00 H new ATOM 0 HE3 MET A 910 -23.250 -6.094 -21.282 1.00 0.00 H new ATOM 939 N SER A 911 -17.939 -10.554 -19.205 1.00 0.00 N ATOM 940 CA SER A 911 -16.556 -11.080 -19.154 1.00 0.00 C ATOM 941 C SER A 911 -15.526 -9.997 -19.488 1.00 0.00 C ATOM 942 O SER A 911 -15.863 -8.992 -20.108 1.00 0.00 O ATOM 943 CB SER A 911 -16.353 -12.262 -20.111 1.00 0.00 C ATOM 944 OG SER A 911 -17.462 -13.149 -20.094 1.00 0.00 O ATOM 0 H SER A 911 -18.501 -10.945 -19.961 1.00 0.00 H new ATOM 0 HA SER A 911 -16.405 -11.421 -18.130 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.202 -11.888 -21.124 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.449 -12.804 -19.833 1.00 0.00 H new ATOM 0 HG SER A 911 -17.299 -13.888 -20.716 1.00 0.00 H new ATOM 950 N ASN A 912 -14.258 -10.189 -19.124 1.00 0.00 N ATOM 951 CA ASN A 912 -13.243 -9.115 -19.176 1.00 0.00 C ATOM 952 C ASN A 912 -12.871 -8.669 -20.594 1.00 0.00 C ATOM 953 O ASN A 912 -12.382 -7.555 -20.751 1.00 0.00 O ATOM 954 CB ASN A 912 -11.972 -9.508 -18.387 1.00 0.00 C ATOM 955 CG ASN A 912 -12.159 -9.847 -16.917 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.252 -9.951 -16.388 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.078 -10.002 -16.191 1.00 0.00 N ATOM 0 H ASN A 912 -13.899 -11.082 -18.786 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.715 -8.255 -18.702 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.518 -10.368 -18.879 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.259 -8.686 -18.459 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.158 -10.207 -15.195 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.158 -9.917 -16.622 1.00 0.00 H new ATOM 964 N GLU A 913 -13.134 -9.487 -21.614 1.00 0.00 N ATOM 965 CA GLU A 913 -13.095 -9.050 -23.016 1.00 0.00 C ATOM 966 C GLU A 913 -14.229 -8.055 -23.321 1.00 0.00 C ATOM 967 O GLU A 913 -14.006 -7.014 -23.933 1.00 0.00 O ATOM 968 CB GLU A 913 -13.168 -10.290 -23.924 1.00 0.00 C ATOM 969 CG GLU A 913 -13.175 -9.943 -25.423 1.00 0.00 C ATOM 970 CD GLU A 913 -13.032 -11.175 -26.348 1.00 0.00 C ATOM 971 OE1 GLU A 913 -12.623 -11.000 -27.523 1.00 0.00 O ATOM 972 OE2 GLU A 913 -13.350 -12.322 -25.943 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.380 -10.470 -21.495 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.160 -8.523 -23.207 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.318 -10.939 -23.712 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -14.068 -10.856 -23.684 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -14.104 -9.426 -25.663 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -12.361 -9.248 -25.630 1.00 0.00 H new ATOM 979 N GLU A 914 -15.442 -8.328 -22.838 1.00 0.00 N ATOM 980 CA GLU A 914 -16.622 -7.481 -23.053 1.00 0.00 C ATOM 981 C GLU A 914 -16.539 -6.189 -22.228 1.00 0.00 C ATOM 982 O GLU A 914 -16.708 -5.103 -22.780 1.00 0.00 O ATOM 983 CB GLU A 914 -17.907 -8.262 -22.730 1.00 0.00 C ATOM 984 CG GLU A 914 -18.126 -9.522 -23.585 1.00 0.00 C ATOM 985 CD GLU A 914 -18.154 -9.262 -25.109 1.00 0.00 C ATOM 986 OE1 GLU A 914 -17.637 -10.108 -25.877 1.00 0.00 O ATOM 987 OE2 GLU A 914 -18.727 -8.239 -25.559 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.638 -9.157 -22.277 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.648 -7.195 -24.105 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.885 -8.552 -21.679 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.762 -7.598 -22.860 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -17.334 -10.238 -23.365 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -19.067 -9.987 -23.291 1.00 0.00 H new ATOM 994 N ILE A 915 -16.183 -6.269 -20.935 1.00 0.00 N ATOM 995 CA ILE A 915 -15.942 -5.089 -20.085 1.00 0.00 C ATOM 996 C ILE A 915 -14.559 -4.427 -20.257 1.00 0.00 C ATOM 997 O ILE A 915 -14.112 -3.592 -19.473 1.00 0.00 O ATOM 998 CB ILE A 915 -16.375 -5.326 -18.632 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.407 -4.033 -17.790 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.542 -6.371 -17.877 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.950 -2.809 -18.545 1.00 0.00 C ATOM 0 H ILE A 915 -16.054 -7.156 -20.448 1.00 0.00 H new ATOM 0 HA ILE A 915 -16.606 -4.314 -20.466 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.386 -5.717 -18.746 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -17.020 -4.203 -16.905 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.398 -3.814 -17.441 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.920 -6.472 -16.860 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.614 -7.331 -18.387 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.500 -6.053 -17.847 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.940 -1.941 -17.886 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.324 -2.611 -19.415 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.971 -3.006 -18.871 1.00 0.00 H new ATOM 1013 N ASN A 916 -13.877 -4.774 -21.329 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.842 -3.916 -21.937 1.00 0.00 C ATOM 1015 C ASN A 916 -13.236 -3.343 -23.316 1.00 0.00 C ATOM 1016 O ASN A 916 -12.934 -2.182 -23.600 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.444 -4.562 -21.834 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.015 -5.512 -22.952 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -11.186 -5.271 -24.137 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.361 -6.594 -22.601 1.00 0.00 N ATOM 0 H ASN A 916 -14.014 -5.660 -21.816 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.769 -3.008 -21.339 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.708 -3.760 -21.775 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.396 -5.109 -20.892 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.000 -7.226 -23.316 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -10.214 -6.803 -21.614 1.00 0.00 H new ATOM 1027 N GLU A 917 -14.010 -4.079 -24.117 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.610 -3.594 -25.372 1.00 0.00 C ATOM 1029 C GLU A 917 -15.644 -2.472 -25.161 1.00 0.00 C ATOM 1030 O GLU A 917 -15.760 -1.572 -25.993 1.00 0.00 O ATOM 1031 CB GLU A 917 -15.281 -4.761 -26.104 1.00 0.00 C ATOM 1032 CG GLU A 917 -14.320 -5.561 -27.000 1.00 0.00 C ATOM 1033 CD GLU A 917 -13.794 -4.764 -28.217 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -12.583 -4.859 -28.533 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -14.584 -4.058 -28.893 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.245 -5.050 -23.911 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.797 -3.174 -25.964 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.724 -5.433 -25.369 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -16.097 -4.375 -26.715 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.472 -5.894 -26.401 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -14.830 -6.456 -27.356 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.373 -2.496 -24.040 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.390 -1.492 -23.689 1.00 0.00 C ATOM 1044 C GLU A 918 -16.819 -0.066 -23.597 1.00 0.00 C ATOM 1045 O GLU A 918 -17.513 0.908 -23.896 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.037 -1.880 -22.345 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.343 -1.151 -21.984 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.565 -1.652 -22.790 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -21.530 -2.166 -22.173 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.587 -1.508 -24.036 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.273 -3.227 -23.336 1.00 0.00 H new ATOM 0 HA GLU A 918 -18.131 -1.484 -24.489 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.235 -2.952 -22.357 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.313 -1.698 -21.551 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.541 -1.279 -20.920 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.215 -0.083 -22.158 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.546 0.055 -23.196 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.831 1.331 -23.070 1.00 0.00 C ATOM 1059 C LEU A 919 -13.808 1.549 -24.200 1.00 0.00 C ATOM 1060 O LEU A 919 -13.523 2.690 -24.569 1.00 0.00 O ATOM 1061 CB LEU A 919 -14.143 1.425 -21.696 1.00 0.00 C ATOM 1062 CG LEU A 919 -15.032 1.031 -20.500 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.716 -0.389 -20.050 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.796 1.966 -19.322 1.00 0.00 C ATOM 0 H LEU A 919 -14.972 -0.750 -22.945 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.574 2.124 -23.157 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.261 0.784 -21.702 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.793 2.447 -21.550 1.00 0.00 H new ATOM 0 HG LEU A 919 -16.070 1.100 -20.824 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.352 -0.653 -19.205 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.900 -1.081 -20.872 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.670 -0.451 -19.750 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -15.434 1.670 -18.489 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.751 1.910 -19.017 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -15.034 2.988 -19.616 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.258 0.459 -24.746 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.234 0.461 -25.797 1.00 0.00 C ATOM 1078 C GLY A 920 -10.808 0.498 -25.233 1.00 0.00 C ATOM 1079 O GLY A 920 -9.979 1.286 -25.694 1.00 0.00 O ATOM 0 H GLY A 920 -13.523 -0.483 -24.458 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.353 -0.428 -26.416 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.386 1.324 -26.446 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.543 -0.313 -24.202 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.310 -0.304 -23.395 1.00 0.00 C ATOM 1085 C ILE A 921 -8.612 -1.674 -23.356 1.00 0.00 C ATOM 1086 O ILE A 921 -9.191 -2.701 -23.710 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.594 0.232 -21.973 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.545 -0.702 -21.192 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -10.099 1.685 -22.030 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.703 -0.317 -19.721 1.00 0.00 C ATOM 0 H ILE A 921 -11.206 -1.023 -23.892 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.611 0.374 -23.885 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.657 0.241 -21.416 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.525 -0.692 -21.670 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.170 -1.724 -21.254 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -10.293 2.043 -21.019 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -9.343 2.315 -22.499 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -11.019 1.728 -22.613 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.384 -1.015 -19.233 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.731 -0.354 -19.229 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -11.107 0.693 -19.651 1.00 0.00 H new ATOM 1102 N GLY A 922 -7.354 -1.683 -22.911 1.00 0.00 N ATOM 1103 CA GLY A 922 -6.469 -2.857 -22.894 1.00 0.00 C ATOM 1104 C GLY A 922 -6.214 -3.419 -21.492 1.00 0.00 C ATOM 1105 O GLY A 922 -5.113 -3.255 -20.959 1.00 0.00 O ATOM 0 H GLY A 922 -6.905 -0.846 -22.539 1.00 0.00 H new ATOM 0 HA2 GLY A 922 -6.906 -3.639 -23.515 1.00 0.00 H new ATOM 0 HA3 GLY A 922 -5.515 -2.587 -23.346 1.00 0.00 H new ATOM 1109 N GLN A 923 -7.212 -4.078 -20.891 1.00 0.00 N ATOM 1110 CA GLN A 923 -7.038 -4.818 -19.628 1.00 0.00 C ATOM 1111 C GLN A 923 -6.311 -6.166 -19.835 1.00 0.00 C ATOM 1112 O GLN A 923 -6.040 -6.587 -20.961 1.00 0.00 O ATOM 1113 CB GLN A 923 -8.393 -4.991 -18.901 1.00 0.00 C ATOM 1114 CG GLN A 923 -8.349 -4.537 -17.430 1.00 0.00 C ATOM 1115 CD GLN A 923 -8.438 -3.015 -17.256 1.00 0.00 C ATOM 1116 OE1 GLN A 923 -7.800 -2.233 -17.944 1.00 0.00 O ATOM 1117 NE2 GLN A 923 -9.237 -2.531 -16.325 1.00 0.00 N ATOM 0 H GLN A 923 -8.161 -4.115 -21.262 1.00 0.00 H new ATOM 0 HA GLN A 923 -6.391 -4.222 -18.984 1.00 0.00 H new ATOM 0 HB2 GLN A 923 -9.158 -4.421 -19.429 1.00 0.00 H new ATOM 0 HB3 GLN A 923 -8.691 -6.039 -18.943 1.00 0.00 H new ATOM 0 HG2 GLN A 923 -9.171 -5.005 -16.889 1.00 0.00 H new ATOM 0 HG3 GLN A 923 -7.424 -4.893 -16.976 1.00 0.00 H new ATOM 0 HE21 GLN A 923 -9.780 -3.165 -15.739 1.00 0.00 H new ATOM 0 HE22 GLN A 923 -9.312 -1.523 -16.192 1.00 0.00 H new ATOM 1126 N ASP A 924 -6.008 -6.859 -18.731 1.00 0.00 N ATOM 1127 CA ASP A 924 -5.281 -8.143 -18.724 1.00 0.00 C ATOM 1128 C ASP A 924 -6.036 -9.284 -19.441 1.00 0.00 C ATOM 1129 O ASP A 924 -5.420 -10.170 -20.031 1.00 0.00 O ATOM 1130 CB ASP A 924 -5.012 -8.527 -17.261 1.00 0.00 C ATOM 1131 CG ASP A 924 -4.018 -9.696 -17.109 1.00 0.00 C ATOM 1132 OD1 ASP A 924 -4.309 -10.633 -16.326 1.00 0.00 O ATOM 1133 OD2 ASP A 924 -2.923 -9.654 -17.720 1.00 0.00 O1- ATOM 0 H ASP A 924 -6.265 -6.540 -17.797 1.00 0.00 H new ATOM 0 HA ASP A 924 -4.353 -8.007 -19.280 1.00 0.00 H new ATOM 0 HB2 ASP A 924 -4.624 -7.658 -16.730 1.00 0.00 H new ATOM 0 HB3 ASP A 924 -5.954 -8.797 -16.784 1.00 0.00 H new ATOM 1138 N GLU A 925 -7.374 -9.216 -19.425 1.00 0.00 N ATOM 1139 CA GLU A 925 -8.360 -10.058 -20.125 1.00 0.00 C ATOM 1140 C GLU A 925 -8.401 -11.542 -19.718 1.00 0.00 C ATOM 1141 O GLU A 925 -9.444 -12.040 -19.290 1.00 0.00 O ATOM 1142 CB GLU A 925 -8.203 -9.874 -21.643 1.00 0.00 C ATOM 1143 CG GLU A 925 -9.458 -10.311 -22.401 1.00 0.00 C ATOM 1144 CD GLU A 925 -9.337 -9.989 -23.904 1.00 0.00 C ATOM 1145 OE1 GLU A 925 -9.099 -10.920 -24.712 1.00 0.00 O ATOM 1146 OE2 GLU A 925 -9.484 -8.801 -24.281 1.00 0.00 O1- ATOM 0 H GLU A 925 -7.841 -8.501 -18.868 1.00 0.00 H new ATOM 0 HA GLU A 925 -9.337 -9.700 -19.800 1.00 0.00 H new ATOM 0 HB2 GLU A 925 -7.992 -8.827 -21.862 1.00 0.00 H new ATOM 0 HB3 GLU A 925 -7.347 -10.452 -21.993 1.00 0.00 H new ATOM 0 HG2 GLU A 925 -9.614 -11.381 -22.266 1.00 0.00 H new ATOM 0 HG3 GLU A 925 -10.331 -9.807 -21.987 1.00 0.00 H new ATOM 1153 N ALA A 926 -7.273 -12.234 -19.853 1.00 0.00 N ATOM 1154 CA ALA A 926 -7.117 -13.671 -19.600 1.00 0.00 C ATOM 1155 C ALA A 926 -5.670 -14.080 -19.273 1.00 0.00 C ATOM 1156 O ALA A 926 -5.440 -14.810 -18.307 1.00 0.00 O ATOM 1157 CB ALA A 926 -7.621 -14.436 -20.834 1.00 0.00 C ATOM 0 H ALA A 926 -6.404 -11.794 -20.154 1.00 0.00 H new ATOM 0 HA ALA A 926 -7.704 -13.921 -18.716 1.00 0.00 H new ATOM 0 HB1 ALA A 926 -7.514 -15.508 -20.667 1.00 0.00 H new ATOM 0 HB2 ALA A 926 -8.671 -14.199 -21.005 1.00 0.00 H new ATOM 0 HB3 ALA A 926 -7.036 -14.145 -21.707 1.00 0.00 H new ATOM 1163 N ASP A 927 -4.708 -13.653 -20.101 1.00 0.00 N ATOM 1164 CA ASP A 927 -3.307 -14.124 -20.114 1.00 0.00 C ATOM 1165 C ASP A 927 -3.144 -15.661 -20.276 1.00 0.00 C ATOM 1166 O ASP A 927 -2.073 -16.220 -20.021 1.00 0.00 O ATOM 1167 CB ASP A 927 -2.534 -13.542 -18.912 1.00 0.00 C ATOM 1168 CG ASP A 927 -0.997 -13.565 -19.066 1.00 0.00 C ATOM 1169 OD1 ASP A 927 -0.473 -13.398 -20.196 1.00 0.00 O ATOM 1170 OD2 ASP A 927 -0.291 -13.697 -18.036 1.00 0.00 O1- ATOM 0 H ASP A 927 -4.886 -12.942 -20.810 1.00 0.00 H new ATOM 0 HA ASP A 927 -2.852 -13.734 -21.024 1.00 0.00 H new ATOM 0 HB2 ASP A 927 -2.855 -12.512 -18.754 1.00 0.00 H new ATOM 0 HB3 ASP A 927 -2.805 -14.101 -18.017 1.00 0.00 H new ATOM 1175 N ALA A 928 -4.215 -16.354 -20.693 1.00 0.00 N ATOM 1176 CA ALA A 928 -4.258 -17.801 -20.956 1.00 0.00 C ATOM 1177 C ALA A 928 -3.406 -18.232 -22.177 1.00 0.00 C ATOM 1178 O ALA A 928 -2.685 -19.251 -22.070 1.00 0.00 O ATOM 1179 CB ALA A 928 -5.730 -18.222 -21.099 1.00 0.00 C ATOM 1180 OXT ALA A 928 -3.476 -17.573 -23.243 1.00 0.00 O ATOM 0 H ALA A 928 -5.113 -15.902 -20.863 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.803 -18.320 -20.112 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -5.785 -19.293 -21.295 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -6.265 -17.994 -20.177 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -6.185 -17.678 -21.927 1.00 0.00 H new TER 1186 ALA A 928 ATOM 1187 N ALA B 1 -7.910 -0.628 -5.410 1.00 0.00 N ATOM 1188 CA ALA B 1 -8.544 -1.190 -6.625 1.00 0.00 C ATOM 1189 C ALA B 1 -8.485 -0.225 -7.823 1.00 0.00 C ATOM 1190 O ALA B 1 -9.385 0.598 -8.000 1.00 0.00 O ATOM 1191 CB ALA B 1 -9.993 -1.634 -6.343 1.00 0.00 C ATOM 0 H1 ALA B 1 -7.901 -1.347 -4.659 1.00 0.00 H new ATOM 0 H2 ALA B 1 -6.934 -0.343 -5.628 1.00 0.00 H new ATOM 0 H3 ALA B 1 -8.449 0.201 -5.089 1.00 0.00 H new ATOM 0 HA ALA B 1 -7.963 -2.070 -6.901 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -10.432 -2.042 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -9.995 -2.398 -5.565 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -10.578 -0.777 -6.011 1.00 0.00 H new ATOM 1199 N ARG B 2 -7.468 -0.348 -8.695 1.00 0.00 N ATOM 1200 CA ARG B 2 -7.460 0.282 -10.038 1.00 0.00 C ATOM 1201 C ARG B 2 -8.607 -0.259 -10.903 1.00 0.00 C ATOM 1202 O ARG B 2 -8.963 -1.432 -10.766 1.00 0.00 O ATOM 1203 CB ARG B 2 -6.074 0.117 -10.708 1.00 0.00 C ATOM 1204 CG ARG B 2 -5.885 -1.193 -11.502 1.00 0.00 C ATOM 1205 CD ARG B 2 -6.195 -1.021 -13.000 1.00 0.00 C ATOM 1206 NE ARG B 2 -6.522 -2.321 -13.615 1.00 0.00 N ATOM 1207 CZ ARG B 2 -5.716 -3.123 -14.293 1.00 0.00 C ATOM 1208 NH1 ARG B 2 -4.516 -2.778 -14.653 1.00 0.00 N1+ ATOM 1209 NH2 ARG B 2 -6.099 -4.323 -14.620 1.00 0.00 N ATOM 0 H ARG B 2 -6.626 -0.886 -8.493 1.00 0.00 H new ATOM 0 HA ARG B 2 -7.633 1.353 -9.928 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -5.910 0.959 -11.381 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -5.306 0.171 -9.937 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -4.859 -1.542 -11.384 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -6.534 -1.964 -11.086 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.030 -0.332 -13.127 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.337 -0.579 -13.506 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.484 -2.640 -13.505 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -4.158 -1.853 -14.414 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.932 -3.432 -15.175 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -7.027 -4.652 -14.354 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -5.471 -4.934 -15.142 1.00 0.00 H new ATOM 1223 N THR B 3 -9.185 0.549 -11.795 1.00 0.00 N ATOM 1224 CA THR B 3 -10.376 0.136 -12.574 1.00 0.00 C ATOM 1225 C THR B 3 -10.716 1.065 -13.762 1.00 0.00 C ATOM 1226 O THR B 3 -9.980 2.009 -14.058 1.00 0.00 O ATOM 1227 CB THR B 3 -11.576 0.046 -11.592 1.00 0.00 C ATOM 1228 OG1 THR B 3 -12.685 -0.584 -12.197 1.00 0.00 O ATOM 1229 CG2 THR B 3 -12.041 1.413 -11.085 1.00 0.00 C ATOM 0 H THR B 3 -8.856 1.492 -12.002 1.00 0.00 H new ATOM 0 HA THR B 3 -10.154 -0.828 -13.031 1.00 0.00 H new ATOM 0 HB THR B 3 -11.209 -0.538 -10.748 1.00 0.00 H new ATOM 0 HG1 THR B 3 -12.449 -1.505 -12.434 1.00 0.00 H new ATOM 0 HG21 THR B 3 -12.881 1.282 -10.403 1.00 0.00 H new ATOM 0 HG22 THR B 3 -11.222 1.904 -10.560 1.00 0.00 H new ATOM 0 HG23 THR B 3 -12.352 2.028 -11.930 1.00 0.00 H new HETATM 1237 N MLZ B 4 -11.845 0.789 -14.430 1.00 0.00 N HETATM 1238 CA MLZ B 4 -12.377 1.413 -15.640 1.00 0.00 C HETATM 1239 CB MLZ B 4 -12.467 0.310 -16.731 1.00 0.00 C HETATM 1240 CG MLZ B 4 -13.626 -0.710 -16.625 1.00 0.00 C HETATM 1241 CD MLZ B 4 -13.388 -1.893 -15.673 1.00 0.00 C HETATM 1242 CE MLZ B 4 -12.314 -2.870 -16.189 1.00 0.00 C HETATM 1243 NZ MLZ B 4 -12.895 -3.949 -17.036 1.00 0.00 N HETATM 1244 CM MLZ B 4 -11.809 -4.754 -17.647 1.00 0.00 C HETATM 1245 C MLZ B 4 -13.705 2.174 -15.374 1.00 0.00 C HETATM 1246 O MLZ B 4 -14.470 1.810 -14.479 1.00 0.00 O HETATM 0 HCM3 MLZ B 4 -11.183 -4.111 -18.265 1.00 0.00 H new HETATM 0 HCM2 MLZ B 4 -11.202 -5.203 -16.861 1.00 0.00 H new HETATM 0 HCM1 MLZ B 4 -12.243 -5.541 -18.265 1.00 0.00 H new HETATM 0 HZ MLZ B 4 -13.892 -4.110 -17.175 1.00 0.00 H new HETATM 0 HG3 MLZ B 4 -14.522 -0.181 -16.301 1.00 0.00 H new HETATM 0 HG2 MLZ B 4 -13.831 -1.104 -17.620 1.00 0.00 H new HETATM 0 HE3 MLZ B 4 -11.571 -2.319 -16.765 1.00 0.00 H new HETATM 0 HE2 MLZ B 4 -11.794 -3.316 -15.341 1.00 0.00 H new HETATM 0 HD3 MLZ B 4 -13.087 -1.513 -14.697 1.00 0.00 H new HETATM 0 HD2 MLZ B 4 -14.324 -2.432 -15.530 1.00 0.00 H new HETATM 0 HB3 MLZ B 4 -12.540 0.802 -17.701 1.00 0.00 H new HETATM 0 HB2 MLZ B 4 -11.529 -0.245 -16.725 1.00 0.00 H new HETATM 0 HA MLZ B 4 -11.711 2.197 -16.000 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.993 3.216 -16.158 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.098 4.161 -15.925 1.00 0.00 C ATOM 1264 C GLN B 5 -16.022 4.262 -17.155 1.00 0.00 C ATOM 1265 O GLN B 5 -15.770 5.039 -18.076 1.00 0.00 O ATOM 1266 CB GLN B 5 -14.544 5.539 -15.502 1.00 0.00 C ATOM 1267 CG GLN B 5 -13.699 5.548 -14.210 1.00 0.00 C ATOM 1268 CD GLN B 5 -12.288 4.971 -14.359 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -11.659 5.010 -15.408 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -11.744 4.369 -13.324 1.00 0.00 N ATOM 0 H GLN B 5 -13.453 3.435 -16.995 1.00 0.00 H new ATOM 0 HA GLN B 5 -15.710 3.782 -15.106 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -13.935 5.932 -16.316 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -15.382 6.224 -15.372 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -13.620 6.574 -13.852 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -14.228 4.982 -13.443 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -12.248 4.323 -12.438 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -10.818 3.948 -13.407 1.00 0.00 H new ATOM 1279 N THR B 6 -17.082 3.445 -17.187 1.00 0.00 N ATOM 1280 CA THR B 6 -18.022 3.329 -18.321 1.00 0.00 C ATOM 1281 C THR B 6 -18.763 4.634 -18.650 1.00 0.00 C ATOM 1282 O THR B 6 -19.348 5.275 -17.777 1.00 0.00 O ATOM 1283 CB THR B 6 -19.050 2.202 -18.111 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.312 1.968 -16.741 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.554 0.893 -18.724 1.00 0.00 C ATOM 0 H THR B 6 -17.320 2.830 -16.409 1.00 0.00 H new ATOM 0 HA THR B 6 -17.387 3.087 -19.173 1.00 0.00 H new ATOM 0 HB THR B 6 -19.966 2.531 -18.601 1.00 0.00 H new ATOM 0 HG1 THR B 6 -18.844 1.157 -16.452 1.00 0.00 H new ATOM 0 HG21 THR B 6 -19.297 0.112 -18.563 1.00 0.00 H new ATOM 0 HG22 THR B 6 -18.396 1.029 -19.794 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.615 0.603 -18.253 1.00 0.00 H new ATOM 1293 N ALA B 7 -18.782 4.994 -19.938 1.00 0.00 N ATOM 1294 CA ALA B 7 -19.511 6.153 -20.476 1.00 0.00 C ATOM 1295 C ALA B 7 -20.897 5.797 -21.064 1.00 0.00 C ATOM 1296 O ALA B 7 -21.743 6.675 -21.253 1.00 0.00 O ATOM 1297 CB ALA B 7 -18.614 6.815 -21.530 1.00 0.00 C ATOM 0 H ALA B 7 -18.278 4.474 -20.656 1.00 0.00 H new ATOM 0 HA ALA B 7 -19.726 6.838 -19.656 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -19.125 7.681 -21.951 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -17.681 7.135 -21.065 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -18.397 6.100 -22.324 1.00 0.00 H new ATOM 1303 N ARG B 8 -21.142 4.511 -21.365 1.00 0.00 N ATOM 1304 CA ARG B 8 -22.377 3.980 -21.978 1.00 0.00 C ATOM 1305 C ARG B 8 -23.487 3.759 -20.935 1.00 0.00 C ATOM 1306 O ARG B 8 -23.903 2.626 -20.677 1.00 0.00 O ATOM 1307 CB ARG B 8 -22.044 2.707 -22.784 1.00 0.00 C ATOM 1308 CG ARG B 8 -21.149 2.993 -24.002 1.00 0.00 C ATOM 1309 CD ARG B 8 -20.794 1.682 -24.711 1.00 0.00 C ATOM 1310 NE ARG B 8 -19.986 1.910 -25.921 1.00 0.00 N ATOM 1311 CZ ARG B 8 -19.444 0.972 -26.679 1.00 0.00 C ATOM 1312 NH1 ARG B 8 -19.584 -0.300 -26.430 1.00 0.00 N1+ ATOM 1313 NH2 ARG B 8 -18.749 1.300 -27.732 1.00 0.00 N ATOM 0 H ARG B 8 -20.456 3.779 -21.181 1.00 0.00 H new ATOM 0 HA ARG B 8 -22.778 4.720 -22.671 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -21.545 1.989 -22.132 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -22.971 2.242 -23.120 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -21.663 3.662 -24.692 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -20.239 3.502 -23.684 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -20.246 1.036 -24.025 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -21.710 1.156 -24.981 1.00 0.00 H new ATOM 0 HE ARG B 8 -19.830 2.879 -26.199 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -20.129 -0.605 -25.624 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -19.148 -0.990 -27.042 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -18.622 2.283 -27.973 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.332 0.574 -28.315 1.00 0.00 H new ATOM 1327 N TYR B 9 -23.934 4.853 -20.312 1.00 0.00 N ATOM 1328 CA TYR B 9 -24.940 4.884 -19.236 1.00 0.00 C ATOM 1329 C TYR B 9 -25.802 6.163 -19.277 1.00 0.00 C ATOM 1330 O TYR B 9 -25.244 7.283 -19.209 1.00 0.00 O ATOM 1331 CB TYR B 9 -24.230 4.691 -17.883 1.00 0.00 C ATOM 1332 CG TYR B 9 -25.159 4.576 -16.690 1.00 0.00 C ATOM 1333 CD1 TYR B 9 -25.124 5.541 -15.661 1.00 0.00 C ATOM 1334 CD2 TYR B 9 -26.031 3.475 -16.586 1.00 0.00 C ATOM 1335 CE1 TYR B 9 -25.959 5.404 -14.534 1.00 0.00 C ATOM 1336 CE2 TYR B 9 -26.869 3.338 -15.461 1.00 0.00 C ATOM 1337 CZ TYR B 9 -26.838 4.305 -14.435 1.00 0.00 C ATOM 1338 OH TYR B 9 -27.585 4.113 -13.316 1.00 0.00 O ATOM 1339 OXT TYR B 9 -27.041 6.041 -19.422 1.00 0.00 O ATOM 0 H TYR B 9 -23.592 5.784 -20.551 1.00 0.00 H new ATOM 0 HA TYR B 9 -25.643 4.064 -19.382 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -23.616 3.792 -17.936 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -23.554 5.530 -17.720 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -24.456 6.386 -15.737 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -26.058 2.733 -17.371 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -25.926 6.141 -13.745 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -27.536 2.492 -15.385 1.00 0.00 H new ATOM 0 HH TYR B 9 -28.134 3.308 -13.423 1.00 0.00 H new TER 1349 TYR B 9 HETATM 1350 ZN ZN A1001 -13.140 -11.591 -5.376 1.00 0.00 ZN