USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 699 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 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 83 LYS NZ :NH3+ -164:sc= 0.569 (180deg=-0.119) USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.531 USER MOD Set 2.1: A 34 MET CE :methyl 174:sc= -1.58 (180deg=-0.94) USER MOD Set 2.2: A 43 GLN : amide:sc= -0.219 K(o=-1.8,f=-3.4) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 10 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : A 11 MET CE :methyl -166:sc= -0.0888 (180deg=-0.375) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.67) USER MOD Single : A 37 THR OG1 : rot 110:sc= -1.12! USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00369) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 130:sc= -0.189 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl -148:sc= 0 (180deg=-0.79) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc=-0.00933 (180deg=-0.178) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00111) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc=-0.00586 X(o=-0.0059,f=-0.39) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0117) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 17.571 -9.497 15.315 1.00 0.00 N ATOM 2 CA HIS A 10 18.492 -10.413 16.021 1.00 0.00 C ATOM 3 C HIS A 10 18.111 -11.875 15.734 1.00 0.00 C ATOM 4 O HIS A 10 18.994 -12.723 15.552 1.00 0.00 O ATOM 5 CB HIS A 10 18.488 -10.138 17.551 1.00 0.00 C ATOM 6 CG HIS A 10 18.972 -8.758 17.947 1.00 0.00 C ATOM 7 ND1 HIS A 10 20.302 -8.446 18.130 1.00 0.00 N ATOM 8 CD2 HIS A 10 18.288 -7.614 18.210 1.00 0.00 C ATOM 9 CE1 HIS A 10 20.414 -7.176 18.488 1.00 0.00 C ATOM 10 NE2 HIS A 10 19.206 -6.650 18.542 1.00 0.00 N ATOM 0 HA HIS A 10 19.502 -10.235 15.651 1.00 0.00 H new ATOM 0 HB2 HIS A 10 17.475 -10.275 17.928 1.00 0.00 H new ATOM 0 HB3 HIS A 10 19.114 -10.883 18.042 1.00 0.00 H new ATOM 0 HD2 HIS A 10 17.216 -7.487 18.166 1.00 0.00 H new ATOM 0 HE1 HIS A 10 21.338 -6.659 18.700 1.00 0.00 H new ATOM 0 HE2 HIS A 10 18.990 -5.685 18.790 1.00 0.00 H new ATOM 19 N MET A 11 16.788 -12.160 15.688 1.00 0.00 N ATOM 20 CA MET A 11 16.269 -13.529 15.473 1.00 0.00 C ATOM 21 C MET A 11 14.850 -13.481 14.869 1.00 0.00 C ATOM 22 O MET A 11 14.637 -13.879 13.720 1.00 0.00 O ATOM 23 CB MET A 11 16.279 -14.309 16.821 1.00 0.00 C ATOM 24 CG MET A 11 15.854 -15.790 16.730 1.00 0.00 C ATOM 25 SD MET A 11 15.777 -16.613 18.345 1.00 0.00 S ATOM 26 CE MET A 11 17.452 -16.408 18.951 1.00 0.00 C ATOM 0 H MET A 11 16.059 -11.455 15.798 1.00 0.00 H new ATOM 0 HA MET A 11 16.913 -14.050 14.764 1.00 0.00 H new ATOM 0 HB2 MET A 11 17.283 -14.262 17.242 1.00 0.00 H new ATOM 0 HB3 MET A 11 15.616 -13.800 17.521 1.00 0.00 H new ATOM 0 HG2 MET A 11 14.877 -15.852 16.251 1.00 0.00 H new ATOM 0 HG3 MET A 11 16.557 -16.324 16.091 1.00 0.00 H new ATOM 0 HE1 MET A 11 17.614 -17.068 19.803 1.00 0.00 H new ATOM 0 HE2 MET A 11 18.158 -16.657 18.159 1.00 0.00 H new ATOM 0 HE3 MET A 11 17.603 -15.374 19.260 1.00 0.00 H new ATOM 36 N ARG A 12 13.889 -12.980 15.657 1.00 0.00 N ATOM 37 CA ARG A 12 12.456 -12.881 15.266 1.00 0.00 C ATOM 38 C ARG A 12 12.122 -11.396 14.994 1.00 0.00 C ATOM 39 O ARG A 12 10.990 -10.926 15.164 1.00 0.00 O ATOM 40 CB ARG A 12 11.587 -13.491 16.412 1.00 0.00 C ATOM 41 CG ARG A 12 10.093 -13.739 16.067 1.00 0.00 C ATOM 42 CD ARG A 12 9.270 -14.159 17.303 1.00 0.00 C ATOM 43 NE ARG A 12 7.831 -14.338 17.000 1.00 0.00 N ATOM 44 CZ ARG A 12 6.863 -13.445 17.260 1.00 0.00 C ATOM 45 NH1 ARG A 12 7.144 -12.221 17.695 1.00 0.00 N ATOM 46 NH2 ARG A 12 5.599 -13.781 17.062 1.00 0.00 N ATOM 0 H ARG A 12 14.075 -12.626 16.595 1.00 0.00 H new ATOM 0 HA ARG A 12 12.245 -13.440 14.355 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.033 -14.438 16.716 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.636 -12.825 17.274 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.666 -12.832 15.639 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.022 -14.515 15.305 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.671 -15.091 17.702 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.382 -13.405 18.082 1.00 0.00 H new ATOM 0 HE ARG A 12 7.552 -15.213 16.557 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.114 -11.941 17.839 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.389 -11.562 17.885 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.367 -14.712 16.715 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.856 -13.109 17.257 1.00 0.00 H new ATOM 60 N ASP A 13 13.142 -10.688 14.498 1.00 0.00 N ATOM 61 CA ASP A 13 13.173 -9.236 14.380 1.00 0.00 C ATOM 62 C ASP A 13 14.326 -8.892 13.429 1.00 0.00 C ATOM 63 O ASP A 13 15.488 -9.224 13.675 1.00 0.00 O ATOM 64 CB ASP A 13 13.331 -8.559 15.780 1.00 0.00 C ATOM 65 CG ASP A 13 14.622 -8.942 16.525 1.00 0.00 C ATOM 66 OD1 ASP A 13 14.783 -10.129 16.902 1.00 0.00 O ATOM 67 OD2 ASP A 13 15.516 -8.088 16.675 1.00 0.00 O ATOM 0 H ASP A 13 13.996 -11.130 14.157 1.00 0.00 H new ATOM 0 HA ASP A 13 12.235 -8.854 13.978 1.00 0.00 H new ATOM 0 HB2 ASP A 13 13.306 -7.477 15.652 1.00 0.00 H new ATOM 0 HB3 ASP A 13 12.475 -8.827 16.399 1.00 0.00 H new ATOM 72 N TYR A 14 13.969 -8.340 12.277 1.00 0.00 N ATOM 73 CA TYR A 14 14.918 -7.974 11.218 1.00 0.00 C ATOM 74 C TYR A 14 14.825 -6.490 10.902 1.00 0.00 C ATOM 75 O TYR A 14 13.773 -5.988 10.496 1.00 0.00 O ATOM 76 CB TYR A 14 14.661 -8.834 9.962 1.00 0.00 C ATOM 77 CG TYR A 14 15.177 -10.272 10.121 1.00 0.00 C ATOM 78 CD1 TYR A 14 16.488 -10.602 9.774 1.00 0.00 C ATOM 79 CD2 TYR A 14 14.376 -11.279 10.656 1.00 0.00 C ATOM 80 CE1 TYR A 14 16.979 -11.877 9.953 1.00 0.00 C ATOM 81 CE2 TYR A 14 14.862 -12.559 10.830 1.00 0.00 C ATOM 82 CZ TYR A 14 16.167 -12.853 10.484 1.00 0.00 C ATOM 83 OH TYR A 14 16.658 -14.133 10.674 1.00 0.00 O ATOM 0 H TYR A 14 12.999 -8.128 12.042 1.00 0.00 H new ATOM 0 HA TYR A 14 15.932 -8.171 11.566 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.592 -8.856 9.753 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.145 -8.370 9.102 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.131 -9.842 9.356 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.358 -11.054 10.939 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.997 -12.109 9.678 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.223 -13.330 11.236 1.00 0.00 H new ATOM 0 HH TYR A 14 15.956 -14.699 11.058 1.00 0.00 H new ATOM 93 N ILE A 15 15.950 -5.801 11.075 1.00 0.00 N ATOM 94 CA ILE A 15 16.050 -4.366 10.882 1.00 0.00 C ATOM 95 C ILE A 15 16.688 -4.087 9.517 1.00 0.00 C ATOM 96 O ILE A 15 17.860 -4.399 9.305 1.00 0.00 O ATOM 97 CB ILE A 15 16.915 -3.685 12.017 1.00 0.00 C ATOM 98 CG1 ILE A 15 16.406 -4.073 13.437 1.00 0.00 C ATOM 99 CG2 ILE A 15 16.963 -2.146 11.840 1.00 0.00 C ATOM 100 CD1 ILE A 15 14.967 -3.717 13.706 1.00 0.00 C ATOM 0 H ILE A 15 16.829 -6.235 11.358 1.00 0.00 H new ATOM 0 HA ILE A 15 15.046 -3.944 10.927 1.00 0.00 H new ATOM 0 HB ILE A 15 17.933 -4.063 11.921 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.532 -5.147 13.573 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.033 -3.581 14.180 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.565 -1.707 12.636 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.406 -1.905 10.874 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.951 -1.743 11.886 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.699 -4.024 14.717 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.834 -2.640 13.606 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.325 -4.230 12.989 1.00 0.00 H new ATOM 112 N CYS A 16 15.895 -3.566 8.573 1.00 0.00 N ATOM 113 CA CYS A 16 16.437 -2.835 7.421 1.00 0.00 C ATOM 114 C CYS A 16 17.172 -1.609 7.967 1.00 0.00 C ATOM 115 O CYS A 16 16.511 -0.624 8.277 1.00 0.00 O ATOM 116 CB CYS A 16 15.328 -2.381 6.448 1.00 0.00 C ATOM 117 SG CYS A 16 15.907 -1.953 4.780 1.00 0.00 S ATOM 0 H CYS A 16 14.878 -3.637 8.584 1.00 0.00 H new ATOM 0 HA CYS A 16 17.103 -3.490 6.860 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.587 -3.176 6.367 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.821 -1.515 6.875 1.00 0.00 H new ATOM 122 N GLU A 17 18.483 -1.808 8.224 1.00 0.00 N ATOM 123 CA GLU A 17 19.522 -0.819 8.644 1.00 0.00 C ATOM 124 C GLU A 17 19.010 0.510 9.235 1.00 0.00 C ATOM 125 O GLU A 17 19.288 0.841 10.395 1.00 0.00 O ATOM 126 CB GLU A 17 20.451 -0.565 7.430 1.00 0.00 C ATOM 127 CG GLU A 17 21.140 -1.839 6.891 1.00 0.00 C ATOM 128 CD GLU A 17 21.655 -1.676 5.456 1.00 0.00 C ATOM 129 OE1 GLU A 17 20.871 -1.893 4.517 1.00 0.00 O ATOM 130 OE2 GLU A 17 22.838 -1.316 5.264 1.00 0.00 O ATOM 0 H GLU A 17 18.885 -2.742 8.138 1.00 0.00 H new ATOM 0 HA GLU A 17 20.050 -1.269 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 17 19.869 -0.112 6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.216 0.157 7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 17 21.973 -2.099 7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 17 20.436 -2.670 6.927 1.00 0.00 H new ATOM 137 N TYR A 18 18.227 1.241 8.438 1.00 0.00 N ATOM 138 CA TYR A 18 17.915 2.661 8.705 1.00 0.00 C ATOM 139 C TYR A 18 16.403 2.888 8.842 1.00 0.00 C ATOM 140 O TYR A 18 15.954 3.683 9.671 1.00 0.00 O ATOM 141 CB TYR A 18 18.474 3.535 7.551 1.00 0.00 C ATOM 142 CG TYR A 18 18.636 5.007 7.942 1.00 0.00 C ATOM 143 CD1 TYR A 18 19.137 5.334 9.197 1.00 0.00 C ATOM 144 CD2 TYR A 18 18.281 6.054 7.094 1.00 0.00 C ATOM 145 CE1 TYR A 18 19.277 6.629 9.592 1.00 0.00 C ATOM 146 CE2 TYR A 18 18.418 7.371 7.490 1.00 0.00 C ATOM 147 CZ TYR A 18 18.920 7.654 8.744 1.00 0.00 C ATOM 148 OH TYR A 18 19.061 8.962 9.153 1.00 0.00 O ATOM 0 H TYR A 18 17.790 0.875 7.592 1.00 0.00 H new ATOM 0 HA TYR A 18 18.382 2.943 9.648 1.00 0.00 H new ATOM 0 HB2 TYR A 18 19.440 3.139 7.238 1.00 0.00 H new ATOM 0 HB3 TYR A 18 17.807 3.464 6.692 1.00 0.00 H new ATOM 0 HD1 TYR A 18 19.422 4.542 9.874 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.892 5.833 6.111 1.00 0.00 H new ATOM 0 HE1 TYR A 18 19.669 6.853 10.573 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.135 8.172 6.824 1.00 0.00 H new ATOM 0 HH TYR A 18 18.765 9.562 8.437 1.00 0.00 H new ATOM 158 N CYS A 19 15.644 2.198 7.999 1.00 0.00 N ATOM 159 CA CYS A 19 14.193 2.464 7.817 1.00 0.00 C ATOM 160 C CYS A 19 13.293 1.601 8.737 1.00 0.00 C ATOM 161 O CYS A 19 12.151 1.990 9.019 1.00 0.00 O ATOM 162 CB CYS A 19 13.817 2.267 6.312 1.00 0.00 C ATOM 163 SG CYS A 19 15.214 1.804 5.241 1.00 0.00 S ATOM 0 H CYS A 19 16.000 1.439 7.418 1.00 0.00 H new ATOM 0 HA CYS A 19 14.007 3.497 8.112 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.049 1.497 6.240 1.00 0.00 H new ATOM 0 HB3 CYS A 19 13.378 3.191 5.936 1.00 0.00 H new ATOM 168 N ALA A 20 13.797 0.437 9.205 1.00 0.00 N ATOM 169 CA ALA A 20 12.959 -0.545 9.919 1.00 0.00 C ATOM 170 C ALA A 20 12.910 -0.314 11.432 1.00 0.00 C ATOM 171 O ALA A 20 13.947 -0.219 12.098 1.00 0.00 O ATOM 172 CB ALA A 20 13.436 -1.962 9.655 1.00 0.00 C ATOM 0 H ALA A 20 14.773 0.159 9.101 1.00 0.00 H new ATOM 0 HA ALA A 20 11.951 -0.407 9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.801 -2.666 10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.384 -2.170 8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.466 -2.069 9.996 1.00 0.00 H new ATOM 178 N ARG A 21 11.672 -0.208 11.934 1.00 0.00 N ATOM 179 CA ARG A 21 11.354 -0.335 13.350 1.00 0.00 C ATOM 180 C ARG A 21 11.557 -1.820 13.786 1.00 0.00 C ATOM 181 O ARG A 21 12.239 -2.079 14.778 1.00 0.00 O ATOM 182 CB ARG A 21 9.920 0.222 13.634 1.00 0.00 C ATOM 183 CG ARG A 21 8.711 -0.542 13.015 1.00 0.00 C ATOM 184 CD ARG A 21 8.676 -0.629 11.471 1.00 0.00 C ATOM 185 NE ARG A 21 8.712 0.681 10.803 1.00 0.00 N ATOM 186 CZ ARG A 21 8.512 0.879 9.487 1.00 0.00 C ATOM 187 NH1 ARG A 21 8.247 -0.144 8.663 1.00 0.00 N ATOM 188 NH2 ARG A 21 8.585 2.112 8.998 1.00 0.00 N ATOM 0 H ARG A 21 10.854 -0.028 11.352 1.00 0.00 H new ATOM 0 HA ARG A 21 12.029 0.268 13.957 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.780 0.253 14.715 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.884 1.252 13.279 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.705 -1.556 13.415 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.793 -0.061 13.352 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.523 -1.224 11.130 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.773 -1.157 11.166 1.00 0.00 H new ATOM 0 HE ARG A 21 8.903 1.500 11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.194 -1.094 9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.098 0.027 7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.791 2.895 9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.435 2.275 8.002 1.00 0.00 H new ATOM 202 N ALA A 22 10.931 -2.772 13.039 1.00 0.00 N ATOM 203 CA ALA A 22 11.294 -4.209 13.006 1.00 0.00 C ATOM 204 C ALA A 22 10.385 -4.920 11.992 1.00 0.00 C ATOM 205 O ALA A 22 9.180 -4.636 11.927 1.00 0.00 O ATOM 206 CB ALA A 22 11.154 -4.883 14.392 1.00 0.00 C ATOM 0 H ALA A 22 10.142 -2.551 12.431 1.00 0.00 H new ATOM 0 HA ALA A 22 12.341 -4.289 12.715 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.431 -5.934 14.315 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.810 -4.386 15.106 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.122 -4.804 14.732 1.00 0.00 H new ATOM 212 N PHE A 23 10.963 -5.823 11.194 1.00 0.00 N ATOM 213 CA PHE A 23 10.207 -6.715 10.298 1.00 0.00 C ATOM 214 C PHE A 23 10.189 -8.116 10.891 1.00 0.00 C ATOM 215 O PHE A 23 11.110 -8.509 11.614 1.00 0.00 O ATOM 216 CB PHE A 23 10.824 -6.760 8.874 1.00 0.00 C ATOM 217 CG PHE A 23 10.507 -5.538 8.015 1.00 0.00 C ATOM 218 CD1 PHE A 23 11.271 -4.378 8.093 1.00 0.00 C ATOM 219 CD2 PHE A 23 9.440 -5.557 7.117 1.00 0.00 C ATOM 220 CE1 PHE A 23 10.978 -3.284 7.308 1.00 0.00 C ATOM 221 CE2 PHE A 23 9.147 -4.459 6.333 1.00 0.00 C ATOM 222 CZ PHE A 23 9.918 -3.323 6.430 1.00 0.00 C ATOM 0 H PHE A 23 11.973 -5.959 11.148 1.00 0.00 H new ATOM 0 HA PHE A 23 9.193 -6.326 10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.906 -6.857 8.962 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.464 -7.653 8.363 1.00 0.00 H new ATOM 0 HD1 PHE A 23 12.105 -4.334 8.778 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.832 -6.446 7.033 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.582 -2.392 7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.315 -4.491 5.645 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.692 -2.463 5.818 1.00 0.00 H new ATOM 232 N LYS A 24 9.135 -8.857 10.569 1.00 0.00 N ATOM 233 CA LYS A 24 8.973 -10.248 10.992 1.00 0.00 C ATOM 234 C LYS A 24 10.077 -11.145 10.401 1.00 0.00 C ATOM 235 O LYS A 24 10.548 -12.075 11.064 1.00 0.00 O ATOM 236 CB LYS A 24 7.579 -10.749 10.558 1.00 0.00 C ATOM 237 CG LYS A 24 6.405 -9.913 11.115 1.00 0.00 C ATOM 238 CD LYS A 24 5.038 -10.368 10.563 1.00 0.00 C ATOM 239 CE LYS A 24 4.688 -11.817 10.950 1.00 0.00 C ATOM 240 NZ LYS A 24 3.445 -12.275 10.291 1.00 0.00 N ATOM 0 H LYS A 24 8.361 -8.509 10.003 1.00 0.00 H new ATOM 0 HA LYS A 24 9.059 -10.298 12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.527 -10.747 9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.460 -11.783 10.881 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.396 -9.986 12.203 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.562 -8.863 10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.261 -9.700 10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.042 -10.278 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.511 -12.476 10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.573 -11.887 12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.242 -13.254 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.655 -11.661 10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.563 -12.232 9.259 1.00 0.00 H new ATOM 254 N SER A 25 10.516 -10.836 9.163 1.00 0.00 N ATOM 255 CA SER A 25 11.402 -11.724 8.385 1.00 0.00 C ATOM 256 C SER A 25 12.378 -10.920 7.484 1.00 0.00 C ATOM 257 O SER A 25 12.107 -9.767 7.114 1.00 0.00 O ATOM 258 CB SER A 25 10.540 -12.681 7.532 1.00 0.00 C ATOM 259 OG SER A 25 9.611 -13.405 8.329 1.00 0.00 O ATOM 0 H SER A 25 10.269 -9.973 8.679 1.00 0.00 H new ATOM 0 HA SER A 25 12.012 -12.299 9.082 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.002 -12.110 6.775 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.188 -13.380 7.003 1.00 0.00 H new ATOM 0 HG SER A 25 9.082 -13.999 7.757 1.00 0.00 H new ATOM 265 N SER A 26 13.522 -11.564 7.179 1.00 0.00 N ATOM 266 CA SER A 26 14.580 -11.031 6.282 1.00 0.00 C ATOM 267 C SER A 26 14.058 -10.782 4.850 1.00 0.00 C ATOM 268 O SER A 26 14.328 -9.740 4.250 1.00 0.00 O ATOM 269 CB SER A 26 15.780 -12.008 6.259 1.00 0.00 C ATOM 270 OG SER A 26 15.375 -13.331 5.920 1.00 0.00 O ATOM 0 H SER A 26 13.746 -12.486 7.553 1.00 0.00 H new ATOM 0 HA SER A 26 14.900 -10.066 6.676 1.00 0.00 H new ATOM 0 HB2 SER A 26 16.520 -11.658 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 26 16.263 -12.014 7.236 1.00 0.00 H new ATOM 0 HG SER A 26 16.157 -13.921 5.913 1.00 0.00 H new ATOM 276 N HIS A 27 13.309 -11.758 4.318 1.00 0.00 N ATOM 277 CA HIS A 27 12.704 -11.664 2.971 1.00 0.00 C ATOM 278 C HIS A 27 11.589 -10.604 2.939 1.00 0.00 C ATOM 279 O HIS A 27 11.398 -9.933 1.922 1.00 0.00 O ATOM 280 CB HIS A 27 12.185 -13.037 2.495 1.00 0.00 C ATOM 281 CG HIS A 27 13.284 -14.024 2.180 1.00 0.00 C ATOM 282 ND1 HIS A 27 13.525 -14.508 0.911 1.00 0.00 N ATOM 283 CD2 HIS A 27 14.198 -14.620 2.980 1.00 0.00 C ATOM 284 CE1 HIS A 27 14.537 -15.351 0.948 1.00 0.00 C ATOM 285 NE2 HIS A 27 14.965 -15.436 2.193 1.00 0.00 N ATOM 0 H HIS A 27 13.103 -12.632 4.802 1.00 0.00 H new ATOM 0 HA HIS A 27 13.483 -11.348 2.277 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.539 -13.459 3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.570 -12.895 1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 27 14.303 -14.478 4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.947 -15.883 0.102 1.00 0.00 H new ATOM 0 HE2 HIS A 27 15.740 -16.015 2.516 1.00 0.00 H new ATOM 294 N ASN A 28 10.840 -10.491 4.057 1.00 0.00 N ATOM 295 CA ASN A 28 9.756 -9.491 4.219 1.00 0.00 C ATOM 296 C ASN A 28 10.284 -8.056 3.992 1.00 0.00 C ATOM 297 O ASN A 28 9.714 -7.284 3.217 1.00 0.00 O ATOM 298 CB ASN A 28 9.141 -9.612 5.634 1.00 0.00 C ATOM 299 CG ASN A 28 7.859 -8.793 5.875 1.00 0.00 C ATOM 300 OD1 ASN A 28 7.605 -8.345 6.994 1.00 0.00 O ATOM 301 ND2 ASN A 28 7.027 -8.611 4.855 1.00 0.00 N ATOM 0 H ASN A 28 10.968 -11.089 4.874 1.00 0.00 H new ATOM 0 HA ASN A 28 8.989 -9.691 3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.921 -10.662 5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.890 -9.304 6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.159 -8.092 4.991 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.256 -8.990 3.936 1.00 0.00 H new ATOM 308 N LEU A 29 11.375 -7.730 4.708 1.00 0.00 N ATOM 309 CA LEU A 29 12.077 -6.431 4.588 1.00 0.00 C ATOM 310 C LEU A 29 12.648 -6.243 3.175 1.00 0.00 C ATOM 311 O LEU A 29 12.646 -5.129 2.656 1.00 0.00 O ATOM 312 CB LEU A 29 13.171 -6.320 5.717 1.00 0.00 C ATOM 313 CG LEU A 29 14.660 -6.735 5.412 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.469 -5.624 4.699 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.382 -7.192 6.699 1.00 0.00 C ATOM 0 H LEU A 29 11.799 -8.359 5.389 1.00 0.00 H new ATOM 0 HA LEU A 29 11.370 -5.614 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.186 -5.284 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.832 -6.924 6.558 1.00 0.00 H new ATOM 0 HG LEU A 29 14.605 -7.574 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.485 -5.973 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.994 -5.381 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.498 -4.734 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.408 -7.473 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.388 -6.376 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.860 -8.050 7.124 1.00 0.00 H new ATOM 327 N ALA A 30 13.138 -7.350 2.586 1.00 0.00 N ATOM 328 CA ALA A 30 13.776 -7.361 1.246 1.00 0.00 C ATOM 329 C ALA A 30 12.819 -6.871 0.128 1.00 0.00 C ATOM 330 O ALA A 30 13.278 -6.322 -0.889 1.00 0.00 O ATOM 331 CB ALA A 30 14.324 -8.758 0.919 1.00 0.00 C ATOM 0 H ALA A 30 13.105 -8.270 3.025 1.00 0.00 H new ATOM 0 HA ALA A 30 14.606 -6.656 1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 30 14.788 -8.745 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 30 15.066 -9.042 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 30 13.508 -9.480 0.927 1.00 0.00 H new ATOM 337 N VAL A 31 11.498 -7.089 0.327 1.00 0.00 N ATOM 338 CA VAL A 31 10.446 -6.607 -0.601 1.00 0.00 C ATOM 339 C VAL A 31 10.399 -5.056 -0.630 1.00 0.00 C ATOM 340 O VAL A 31 10.352 -4.446 -1.707 1.00 0.00 O ATOM 341 CB VAL A 31 9.033 -7.196 -0.223 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.937 -6.734 -1.205 1.00 0.00 C ATOM 343 CG2 VAL A 31 9.075 -8.734 -0.129 1.00 0.00 C ATOM 0 H VAL A 31 11.132 -7.601 1.130 1.00 0.00 H new ATOM 0 HA VAL A 31 10.702 -6.962 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 31 8.776 -6.804 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.979 -7.162 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.869 -5.646 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.187 -7.067 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.086 -9.110 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.378 -9.149 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.791 -9.032 0.637 1.00 0.00 H new ATOM 353 N HIS A 32 10.449 -4.429 0.568 1.00 0.00 N ATOM 354 CA HIS A 32 10.474 -2.955 0.715 1.00 0.00 C ATOM 355 C HIS A 32 11.851 -2.414 0.259 1.00 0.00 C ATOM 356 O HIS A 32 11.952 -1.328 -0.335 1.00 0.00 O ATOM 357 CB HIS A 32 10.135 -2.558 2.212 1.00 0.00 C ATOM 358 CG HIS A 32 11.077 -1.545 2.839 1.00 0.00 C ATOM 359 ND1 HIS A 32 10.862 -0.193 2.838 1.00 0.00 N ATOM 360 CD2 HIS A 32 12.298 -1.726 3.403 1.00 0.00 C ATOM 361 CE1 HIS A 32 11.929 0.400 3.373 1.00 0.00 C ATOM 362 NE2 HIS A 32 12.846 -0.478 3.733 1.00 0.00 N ATOM 0 H HIS A 32 10.473 -4.928 1.457 1.00 0.00 H new ATOM 0 HA HIS A 32 9.714 -2.499 0.080 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.122 -2.158 2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.140 -3.462 2.821 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.028 0.279 2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.773 -2.681 3.571 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.031 1.468 3.497 1.00 0.00 H new ATOM 370 N ARG A 33 12.895 -3.210 0.552 1.00 0.00 N ATOM 371 CA ARG A 33 14.305 -2.886 0.306 1.00 0.00 C ATOM 372 C ARG A 33 14.610 -2.688 -1.199 1.00 0.00 C ATOM 373 O ARG A 33 15.678 -2.213 -1.520 1.00 0.00 O ATOM 374 CB ARG A 33 15.183 -4.023 0.917 1.00 0.00 C ATOM 375 CG ARG A 33 16.682 -3.701 1.036 1.00 0.00 C ATOM 376 CD ARG A 33 17.564 -4.875 1.489 1.00 0.00 C ATOM 377 NE ARG A 33 18.994 -4.515 1.359 1.00 0.00 N ATOM 378 CZ ARG A 33 19.808 -4.143 2.354 1.00 0.00 C ATOM 379 NH1 ARG A 33 19.413 -4.197 3.627 1.00 0.00 N ATOM 380 NH2 ARG A 33 21.043 -3.736 2.066 1.00 0.00 N ATOM 0 H ARG A 33 12.772 -4.127 0.981 1.00 0.00 H new ATOM 0 HA ARG A 33 14.538 -1.935 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.800 -4.263 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 33 15.067 -4.918 0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.041 -3.349 0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.807 -2.879 1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.338 -5.132 2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.347 -5.757 0.887 1.00 0.00 H new ATOM 0 HE ARG A 33 19.397 -4.554 0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.475 -4.526 3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.049 -3.909 4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.358 -3.710 1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.673 -3.450 2.815 1.00 0.00 H new ATOM 394 N MET A 34 13.625 -2.995 -2.088 1.00 0.00 N ATOM 395 CA MET A 34 13.729 -2.912 -3.592 1.00 0.00 C ATOM 396 C MET A 34 14.373 -1.605 -4.180 1.00 0.00 C ATOM 397 O MET A 34 14.700 -1.556 -5.371 1.00 0.00 O ATOM 398 CB MET A 34 12.326 -3.120 -4.218 1.00 0.00 C ATOM 399 CG MET A 34 11.321 -1.988 -3.944 1.00 0.00 C ATOM 400 SD MET A 34 9.703 -2.290 -4.668 1.00 0.00 S ATOM 401 CE MET A 34 10.133 -2.564 -6.389 1.00 0.00 C ATOM 0 H MET A 34 12.707 -3.317 -1.780 1.00 0.00 H new ATOM 0 HA MET A 34 14.426 -3.706 -3.861 1.00 0.00 H new ATOM 0 HB2 MET A 34 12.438 -3.234 -5.296 1.00 0.00 H new ATOM 0 HB3 MET A 34 11.911 -4.054 -3.841 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.212 -1.860 -2.867 1.00 0.00 H new ATOM 0 HG3 MET A 34 11.720 -1.053 -4.338 1.00 0.00 H new ATOM 0 HE1 MET A 34 9.244 -2.868 -6.942 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.528 -1.643 -6.816 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.888 -3.348 -6.455 1.00 0.00 H new ATOM 411 N ILE A 35 14.533 -0.584 -3.335 1.00 0.00 N ATOM 412 CA ILE A 35 15.251 0.664 -3.656 1.00 0.00 C ATOM 413 C ILE A 35 16.786 0.435 -3.419 1.00 0.00 C ATOM 414 O ILE A 35 17.606 0.654 -4.313 1.00 0.00 O ATOM 415 CB ILE A 35 14.656 1.890 -2.814 1.00 0.00 C ATOM 416 CG1 ILE A 35 15.705 3.027 -2.582 1.00 0.00 C ATOM 417 CG2 ILE A 35 14.039 1.423 -1.466 1.00 0.00 C ATOM 418 CD1 ILE A 35 16.192 3.758 -3.827 1.00 0.00 C ATOM 0 H ILE A 35 14.161 -0.597 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 35 15.111 0.929 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 35 13.855 2.311 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 35 15.271 3.760 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 35 16.570 2.597 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.647 2.286 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.230 0.719 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.806 0.937 -0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 35 16.915 4.522 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 35 16.665 3.047 -4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.345 4.228 -4.327 1.00 0.00 H new ATOM 430 N HIS A 36 17.138 -0.035 -2.213 1.00 0.00 N ATOM 431 CA HIS A 36 18.540 -0.249 -1.743 1.00 0.00 C ATOM 432 C HIS A 36 18.963 -1.743 -1.800 1.00 0.00 C ATOM 433 O HIS A 36 19.975 -2.120 -1.206 1.00 0.00 O ATOM 434 CB HIS A 36 18.745 0.360 -0.299 1.00 0.00 C ATOM 435 CG HIS A 36 17.494 0.547 0.558 1.00 0.00 C ATOM 436 ND1 HIS A 36 16.801 1.734 0.617 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.852 -0.285 1.437 1.00 0.00 C ATOM 438 CE1 HIS A 36 15.810 1.597 1.499 1.00 0.00 C ATOM 439 NE2 HIS A 36 15.786 0.393 2.023 1.00 0.00 N ATOM 0 H HIS A 36 16.445 -0.288 -1.508 1.00 0.00 H new ATOM 0 HA HIS A 36 19.197 0.281 -2.432 1.00 0.00 H new ATOM 0 HB2 HIS A 36 19.436 -0.284 0.245 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.231 1.330 -0.406 1.00 0.00 H new ATOM 0 HD1 HIS A 36 17.009 2.575 0.078 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.130 -1.308 1.643 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.112 2.381 1.752 1.00 0.00 H new ATOM 447 N THR A 37 18.178 -2.575 -2.515 1.00 0.00 N ATOM 448 CA THR A 37 18.077 -4.029 -2.259 1.00 0.00 C ATOM 449 C THR A 37 19.405 -4.843 -2.333 1.00 0.00 C ATOM 450 O THR A 37 19.900 -5.270 -1.286 1.00 0.00 O ATOM 451 CB THR A 37 16.926 -4.656 -3.145 1.00 0.00 C ATOM 452 OG1 THR A 37 16.701 -6.022 -2.819 1.00 0.00 O ATOM 453 CG2 THR A 37 17.136 -4.514 -4.665 1.00 0.00 C ATOM 0 H THR A 37 17.594 -2.258 -3.289 1.00 0.00 H new ATOM 0 HA THR A 37 17.817 -4.116 -1.204 1.00 0.00 H new ATOM 0 HB THR A 37 16.043 -4.066 -2.898 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.836 -6.112 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.299 -4.972 -5.192 1.00 0.00 H new ATOM 0 HG22 THR A 37 17.196 -3.458 -4.927 1.00 0.00 H new ATOM 0 HG23 THR A 37 18.062 -5.012 -4.952 1.00 0.00 H new ATOM 461 N GLY A 38 19.986 -5.032 -3.527 1.00 0.00 N ATOM 462 CA GLY A 38 21.112 -5.977 -3.691 1.00 0.00 C ATOM 463 C GLY A 38 20.691 -7.407 -3.325 1.00 0.00 C ATOM 464 O GLY A 38 21.479 -8.208 -2.832 1.00 0.00 O ATOM 0 H GLY A 38 19.704 -4.554 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 38 21.465 -5.951 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.946 -5.667 -3.061 1.00 0.00 H new ATOM 468 N GLU A 39 19.410 -7.683 -3.610 1.00 0.00 N ATOM 469 CA GLU A 39 18.671 -8.912 -3.243 1.00 0.00 C ATOM 470 C GLU A 39 17.658 -9.175 -4.364 1.00 0.00 C ATOM 471 O GLU A 39 17.478 -10.309 -4.807 1.00 0.00 O ATOM 472 CB GLU A 39 17.916 -8.751 -1.878 1.00 0.00 C ATOM 473 CG GLU A 39 18.803 -8.657 -0.611 1.00 0.00 C ATOM 474 CD GLU A 39 19.392 -10.014 -0.194 1.00 0.00 C ATOM 475 OE1 GLU A 39 20.477 -10.397 -0.691 1.00 0.00 O ATOM 476 OE2 GLU A 39 18.745 -10.729 0.605 1.00 0.00 O ATOM 0 H GLU A 39 18.827 -7.026 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 39 19.370 -9.740 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.299 -7.854 -1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.239 -9.597 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 39 19.616 -7.954 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 39 18.212 -8.254 0.212 1.00 0.00 H new ATOM 483 N LYS A 40 17.024 -8.059 -4.802 1.00 0.00 N ATOM 484 CA LYS A 40 16.097 -7.980 -5.944 1.00 0.00 C ATOM 485 C LYS A 40 14.846 -8.864 -5.744 1.00 0.00 C ATOM 486 O LYS A 40 14.898 -10.072 -5.981 1.00 0.00 O ATOM 487 CB LYS A 40 16.790 -8.285 -7.321 1.00 0.00 C ATOM 488 CG LYS A 40 17.859 -7.253 -7.791 1.00 0.00 C ATOM 489 CD LYS A 40 19.227 -7.383 -7.066 1.00 0.00 C ATOM 490 CE LYS A 40 19.910 -8.742 -7.317 1.00 0.00 C ATOM 491 NZ LYS A 40 21.221 -8.858 -6.628 1.00 0.00 N ATOM 0 H LYS A 40 17.154 -7.156 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 40 15.767 -6.942 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.263 -9.265 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.017 -8.352 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.015 -7.371 -8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.471 -6.247 -7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.887 -6.583 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 40 19.079 -7.248 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.253 -9.543 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.053 -8.880 -8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.646 -9.783 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 21.854 -8.101 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 21.082 -8.771 -5.601 1.00 0.00 H new ATOM 505 N PRO A 41 13.703 -8.275 -5.261 1.00 0.00 N ATOM 506 CA PRO A 41 12.364 -8.897 -5.410 1.00 0.00 C ATOM 507 C PRO A 41 11.852 -8.722 -6.861 1.00 0.00 C ATOM 508 O PRO A 41 12.593 -8.245 -7.732 1.00 0.00 O ATOM 509 CB PRO A 41 11.504 -8.131 -4.378 1.00 0.00 C ATOM 510 CG PRO A 41 12.131 -6.765 -4.320 1.00 0.00 C ATOM 511 CD PRO A 41 13.625 -6.980 -4.522 1.00 0.00 C ATOM 0 HA PRO A 41 12.348 -9.972 -5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.461 -8.078 -4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.521 -8.619 -3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.722 -6.115 -5.094 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.932 -6.285 -3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.072 -6.166 -5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.154 -7.030 -3.570 1.00 0.00 H new ATOM 519 N LEU A 42 10.599 -9.106 -7.124 1.00 0.00 N ATOM 520 CA LEU A 42 10.024 -9.082 -8.483 1.00 0.00 C ATOM 521 C LEU A 42 8.798 -8.168 -8.518 1.00 0.00 C ATOM 522 O LEU A 42 7.810 -8.430 -7.834 1.00 0.00 O ATOM 523 CB LEU A 42 9.666 -10.528 -8.907 1.00 0.00 C ATOM 524 CG LEU A 42 10.876 -11.520 -8.988 1.00 0.00 C ATOM 525 CD1 LEU A 42 10.418 -12.938 -9.345 1.00 0.00 C ATOM 526 CD2 LEU A 42 11.953 -11.013 -9.977 1.00 0.00 C ATOM 0 H LEU A 42 9.954 -9.441 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 42 10.752 -8.683 -9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.937 -10.926 -8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.180 -10.494 -9.882 1.00 0.00 H new ATOM 0 HG LEU A 42 11.329 -11.563 -7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.284 -13.599 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.727 -13.300 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.917 -12.926 -10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.779 -11.723 -10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.517 -10.916 -10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.322 -10.042 -9.647 1.00 0.00 H new ATOM 538 N GLN A 43 8.862 -7.107 -9.332 1.00 0.00 N ATOM 539 CA GLN A 43 7.781 -6.123 -9.470 1.00 0.00 C ATOM 540 C GLN A 43 7.228 -6.160 -10.903 1.00 0.00 C ATOM 541 O GLN A 43 7.960 -6.464 -11.849 1.00 0.00 O ATOM 542 CB GLN A 43 8.288 -4.688 -9.149 1.00 0.00 C ATOM 543 CG GLN A 43 7.198 -3.593 -9.258 1.00 0.00 C ATOM 544 CD GLN A 43 7.732 -2.168 -9.364 1.00 0.00 C ATOM 545 OE1 GLN A 43 7.879 -1.472 -8.367 1.00 0.00 O ATOM 546 NE2 GLN A 43 8.053 -1.740 -10.576 1.00 0.00 N ATOM 0 H GLN A 43 9.672 -6.906 -9.918 1.00 0.00 H new ATOM 0 HA GLN A 43 6.994 -6.379 -8.761 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.699 -4.677 -8.140 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.104 -4.442 -9.828 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.580 -3.801 -10.132 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.548 -3.659 -8.385 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.917 -2.347 -11.384 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.436 -0.803 -10.701 1.00 0.00 H new ATOM 555 N CYS A 44 5.932 -5.866 -11.039 1.00 0.00 N ATOM 556 CA CYS A 44 5.299 -5.589 -12.327 1.00 0.00 C ATOM 557 C CYS A 44 5.855 -4.287 -12.914 1.00 0.00 C ATOM 558 O CYS A 44 5.549 -3.199 -12.429 1.00 0.00 O ATOM 559 CB CYS A 44 3.774 -5.487 -12.156 1.00 0.00 C ATOM 560 SG CYS A 44 2.881 -4.618 -13.495 1.00 0.00 S ATOM 0 H CYS A 44 5.288 -5.814 -10.249 1.00 0.00 H new ATOM 0 HA CYS A 44 5.519 -6.407 -13.013 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.369 -6.495 -12.069 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.566 -4.977 -11.215 1.00 0.00 H new ATOM 565 N GLU A 45 6.675 -4.420 -13.964 1.00 0.00 N ATOM 566 CA GLU A 45 7.330 -3.281 -14.641 1.00 0.00 C ATOM 567 C GLU A 45 6.364 -2.486 -15.553 1.00 0.00 C ATOM 568 O GLU A 45 6.797 -1.590 -16.282 1.00 0.00 O ATOM 569 CB GLU A 45 8.557 -3.805 -15.440 1.00 0.00 C ATOM 570 CG GLU A 45 9.566 -4.619 -14.592 1.00 0.00 C ATOM 571 CD GLU A 45 10.135 -3.841 -13.387 1.00 0.00 C ATOM 572 OE1 GLU A 45 11.148 -3.132 -13.552 1.00 0.00 O ATOM 573 OE2 GLU A 45 9.575 -3.925 -12.268 1.00 0.00 O ATOM 0 H GLU A 45 6.908 -5.324 -14.374 1.00 0.00 H new ATOM 0 HA GLU A 45 7.660 -2.577 -13.877 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.203 -4.429 -16.261 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.076 -2.956 -15.886 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.077 -5.523 -14.231 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.391 -4.936 -15.230 1.00 0.00 H new ATOM 580 N ILE A 46 5.047 -2.790 -15.489 1.00 0.00 N ATOM 581 CA ILE A 46 4.021 -2.066 -16.245 1.00 0.00 C ATOM 582 C ILE A 46 3.557 -0.890 -15.391 1.00 0.00 C ATOM 583 O ILE A 46 3.620 0.266 -15.804 1.00 0.00 O ATOM 584 CB ILE A 46 2.803 -3.000 -16.598 1.00 0.00 C ATOM 585 CG1 ILE A 46 3.227 -4.159 -17.562 1.00 0.00 C ATOM 586 CG2 ILE A 46 1.621 -2.181 -17.166 1.00 0.00 C ATOM 587 CD1 ILE A 46 3.796 -3.703 -18.894 1.00 0.00 C ATOM 0 H ILE A 46 4.675 -3.544 -14.911 1.00 0.00 H new ATOM 0 HA ILE A 46 4.439 -1.716 -17.189 1.00 0.00 H new ATOM 0 HB ILE A 46 2.462 -3.466 -15.673 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.969 -4.778 -17.059 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.360 -4.791 -17.751 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.794 -2.851 -17.401 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.296 -1.449 -16.426 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.938 -1.664 -18.072 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.061 -4.574 -19.494 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.051 -3.110 -19.424 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.685 -3.097 -18.721 1.00 0.00 H new ATOM 599 N CYS A 47 3.101 -1.218 -14.176 1.00 0.00 N ATOM 600 CA CYS A 47 2.713 -0.242 -13.186 1.00 0.00 C ATOM 601 C CYS A 47 3.651 -0.510 -12.010 1.00 0.00 C ATOM 602 O CYS A 47 4.855 -0.224 -12.109 1.00 0.00 O ATOM 603 CB CYS A 47 1.181 -0.363 -12.878 1.00 0.00 C ATOM 604 SG CYS A 47 0.614 -1.842 -11.952 1.00 0.00 S ATOM 0 H CYS A 47 2.995 -2.183 -13.862 1.00 0.00 H new ATOM 0 HA CYS A 47 2.819 0.797 -13.499 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.881 0.521 -12.315 1.00 0.00 H new ATOM 0 HB3 CYS A 47 0.645 -0.335 -13.826 1.00 0.00 H new ATOM 609 N GLY A 48 3.142 -1.075 -10.928 1.00 0.00 N ATOM 610 CA GLY A 48 3.936 -1.759 -9.925 1.00 0.00 C ATOM 611 C GLY A 48 3.100 -2.871 -9.308 1.00 0.00 C ATOM 612 O GLY A 48 1.871 -2.836 -9.462 1.00 0.00 O ATOM 0 H GLY A 48 2.144 -1.070 -10.719 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.838 -2.172 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.257 -1.057 -9.155 1.00 0.00 H new ATOM 616 N PHE A 49 3.725 -3.835 -8.594 1.00 0.00 N ATOM 617 CA PHE A 49 3.066 -4.952 -7.901 1.00 0.00 C ATOM 618 C PHE A 49 4.217 -5.876 -7.551 1.00 0.00 C ATOM 619 O PHE A 49 4.807 -6.476 -8.454 1.00 0.00 O ATOM 620 CB PHE A 49 2.026 -5.703 -8.779 1.00 0.00 C ATOM 621 CG PHE A 49 1.408 -6.951 -8.134 1.00 0.00 C ATOM 622 CD1 PHE A 49 0.275 -6.861 -7.331 1.00 0.00 C ATOM 623 CD2 PHE A 49 1.973 -8.212 -8.333 1.00 0.00 C ATOM 624 CE1 PHE A 49 -0.269 -7.990 -6.750 1.00 0.00 C ATOM 625 CE2 PHE A 49 1.426 -9.335 -7.756 1.00 0.00 C ATOM 626 CZ PHE A 49 0.306 -9.226 -6.961 1.00 0.00 C ATOM 0 H PHE A 49 4.739 -3.852 -8.484 1.00 0.00 H new ATOM 0 HA PHE A 49 2.493 -4.598 -7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.224 -5.011 -9.036 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.506 -5.996 -9.713 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.184 -5.898 -7.160 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.854 -8.308 -8.950 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.148 -7.905 -6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.875 -10.302 -7.926 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.121 -10.106 -6.504 1.00 0.00 H new ATOM 636 N THR A 50 4.526 -6.030 -6.268 1.00 0.00 N ATOM 637 CA THR A 50 5.783 -6.637 -5.850 1.00 0.00 C ATOM 638 C THR A 50 5.502 -7.931 -5.076 1.00 0.00 C ATOM 639 O THR A 50 4.623 -7.989 -4.211 1.00 0.00 O ATOM 640 CB THR A 50 6.634 -5.655 -4.984 1.00 0.00 C ATOM 641 OG1 THR A 50 6.475 -4.316 -5.489 1.00 0.00 O ATOM 642 CG2 THR A 50 8.137 -6.020 -4.991 1.00 0.00 C ATOM 0 H THR A 50 3.921 -5.742 -5.499 1.00 0.00 H new ATOM 0 HA THR A 50 6.362 -6.870 -6.743 1.00 0.00 H new ATOM 0 HB THR A 50 6.277 -5.729 -3.957 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.007 -3.697 -4.947 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.687 -5.309 -4.375 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.269 -7.025 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.515 -5.984 -6.013 1.00 0.00 H new ATOM 650 N CYS A 51 6.267 -8.945 -5.416 1.00 0.00 N ATOM 651 CA CYS A 51 6.156 -10.289 -4.855 1.00 0.00 C ATOM 652 C CYS A 51 7.517 -10.984 -4.900 1.00 0.00 C ATOM 653 O CYS A 51 8.441 -10.537 -5.593 1.00 0.00 O ATOM 654 CB CYS A 51 5.096 -11.111 -5.632 1.00 0.00 C ATOM 655 SG CYS A 51 4.856 -12.800 -5.027 1.00 0.00 S ATOM 0 H CYS A 51 7.009 -8.862 -6.111 1.00 0.00 H new ATOM 0 HA CYS A 51 5.835 -10.216 -3.816 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.143 -10.584 -5.586 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.387 -11.153 -6.682 1.00 0.00 H new ATOM 0 HG CYS A 51 3.587 -13.021 -4.849 1.00 0.00 H new ATOM 661 N ARG A 52 7.627 -12.074 -4.134 1.00 0.00 N ATOM 662 CA ARG A 52 8.821 -12.928 -4.100 1.00 0.00 C ATOM 663 C ARG A 52 8.804 -13.910 -5.291 1.00 0.00 C ATOM 664 O ARG A 52 9.851 -14.289 -5.819 1.00 0.00 O ATOM 665 CB ARG A 52 8.856 -13.712 -2.770 1.00 0.00 C ATOM 666 CG ARG A 52 10.150 -14.509 -2.498 1.00 0.00 C ATOM 667 CD ARG A 52 10.059 -15.355 -1.214 1.00 0.00 C ATOM 668 NE ARG A 52 9.631 -14.567 -0.043 1.00 0.00 N ATOM 669 CZ ARG A 52 9.522 -15.032 1.204 1.00 0.00 C ATOM 670 NH1 ARG A 52 9.907 -16.263 1.519 1.00 0.00 N ATOM 671 NH2 ARG A 52 9.035 -14.234 2.140 1.00 0.00 N ATOM 0 H ARG A 52 6.883 -12.392 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 52 9.711 -12.304 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.705 -13.009 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.014 -14.405 -2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.357 -15.162 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.989 -13.818 -2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.357 -16.174 -1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.031 -15.804 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 52 9.399 -13.586 -0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.296 -16.875 0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.814 -16.597 2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.751 -13.283 1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.943 -14.569 3.099 1.00 0.00 H new ATOM 685 N GLN A 53 7.581 -14.298 -5.709 1.00 0.00 N ATOM 686 CA GLN A 53 7.341 -15.321 -6.739 1.00 0.00 C ATOM 687 C GLN A 53 6.938 -14.642 -8.048 1.00 0.00 C ATOM 688 O GLN A 53 6.001 -13.833 -8.056 1.00 0.00 O ATOM 689 CB GLN A 53 6.200 -16.278 -6.298 1.00 0.00 C ATOM 690 CG GLN A 53 6.465 -17.046 -4.988 1.00 0.00 C ATOM 691 CD GLN A 53 5.319 -17.981 -4.593 1.00 0.00 C ATOM 692 OE1 GLN A 53 4.604 -18.504 -5.448 1.00 0.00 O ATOM 693 NE2 GLN A 53 5.139 -18.207 -3.304 1.00 0.00 N ATOM 0 H GLN A 53 6.721 -13.900 -5.332 1.00 0.00 H new ATOM 0 HA GLN A 53 8.257 -15.895 -6.879 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.284 -15.699 -6.183 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.023 -17.000 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.380 -17.629 -5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.635 -16.331 -4.183 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.747 -17.760 -2.618 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.392 -18.829 -2.995 1.00 0.00 H new ATOM 702 N LYS A 54 7.644 -14.980 -9.145 1.00 0.00 N ATOM 703 CA LYS A 54 7.319 -14.484 -10.500 1.00 0.00 C ATOM 704 C LYS A 54 5.865 -14.805 -10.900 1.00 0.00 C ATOM 705 O LYS A 54 5.267 -14.047 -11.642 1.00 0.00 O ATOM 706 CB LYS A 54 8.302 -15.055 -11.558 1.00 0.00 C ATOM 707 CG LYS A 54 8.228 -16.593 -11.756 1.00 0.00 C ATOM 708 CD LYS A 54 9.179 -17.111 -12.858 1.00 0.00 C ATOM 709 CE LYS A 54 8.880 -16.510 -14.245 1.00 0.00 C ATOM 710 NZ LYS A 54 9.801 -17.029 -15.284 1.00 0.00 N ATOM 0 H LYS A 54 8.452 -15.602 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 54 7.426 -13.400 -10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.105 -14.570 -12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.319 -14.789 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.470 -17.086 -10.815 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.205 -16.872 -12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.207 -16.878 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.103 -18.197 -12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.852 -16.738 -14.525 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.964 -15.424 -14.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.566 -16.600 -16.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.781 -16.789 -15.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.703 -18.062 -15.350 1.00 0.00 H new ATOM 724 N ALA A 55 5.335 -15.926 -10.368 1.00 0.00 N ATOM 725 CA ALA A 55 3.974 -16.431 -10.665 1.00 0.00 C ATOM 726 C ALA A 55 2.867 -15.404 -10.338 1.00 0.00 C ATOM 727 O ALA A 55 1.905 -15.255 -11.103 1.00 0.00 O ATOM 728 CB ALA A 55 3.718 -17.742 -9.901 1.00 0.00 C ATOM 0 H ALA A 55 5.846 -16.515 -9.711 1.00 0.00 H new ATOM 0 HA ALA A 55 3.932 -16.613 -11.739 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.715 -18.105 -10.126 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.451 -18.489 -10.205 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.807 -17.562 -8.830 1.00 0.00 H new ATOM 734 N SER A 56 3.003 -14.728 -9.182 1.00 0.00 N ATOM 735 CA SER A 56 2.004 -13.756 -8.686 1.00 0.00 C ATOM 736 C SER A 56 1.801 -12.586 -9.681 1.00 0.00 C ATOM 737 O SER A 56 0.674 -12.311 -10.121 1.00 0.00 O ATOM 738 CB SER A 56 2.440 -13.233 -7.302 1.00 0.00 C ATOM 739 OG SER A 56 1.459 -12.388 -6.722 1.00 0.00 O ATOM 0 H SER A 56 3.807 -14.838 -8.564 1.00 0.00 H new ATOM 0 HA SER A 56 1.044 -14.264 -8.593 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.630 -14.077 -6.639 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.378 -12.686 -7.400 1.00 0.00 H new ATOM 0 HG SER A 56 1.771 -12.078 -5.846 1.00 0.00 H new ATOM 745 N LEU A 57 2.914 -11.925 -10.043 1.00 0.00 N ATOM 746 CA LEU A 57 2.929 -10.822 -11.014 1.00 0.00 C ATOM 747 C LEU A 57 2.784 -11.325 -12.460 1.00 0.00 C ATOM 748 O LEU A 57 2.457 -10.543 -13.325 1.00 0.00 O ATOM 749 CB LEU A 57 4.178 -9.902 -10.869 1.00 0.00 C ATOM 750 CG LEU A 57 5.592 -10.590 -10.897 1.00 0.00 C ATOM 751 CD1 LEU A 57 6.646 -9.667 -11.538 1.00 0.00 C ATOM 752 CD2 LEU A 57 6.042 -11.015 -9.480 1.00 0.00 C ATOM 0 H LEU A 57 3.836 -12.145 -9.665 1.00 0.00 H new ATOM 0 HA LEU A 57 2.056 -10.212 -10.781 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.147 -9.164 -11.670 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.087 -9.357 -9.929 1.00 0.00 H new ATOM 0 HG LEU A 57 5.502 -11.488 -11.508 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.614 -10.169 -11.544 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.352 -9.434 -12.561 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.719 -8.744 -10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.023 -11.487 -9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.098 -10.136 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.322 -11.722 -9.066 1.00 0.00 H new ATOM 764 N ASN A 58 3.154 -12.591 -12.728 1.00 0.00 N ATOM 765 CA ASN A 58 2.970 -13.241 -14.062 1.00 0.00 C ATOM 766 C ASN A 58 1.534 -13.128 -14.583 1.00 0.00 C ATOM 767 O ASN A 58 1.325 -12.854 -15.768 1.00 0.00 O ATOM 768 CB ASN A 58 3.384 -14.735 -14.015 1.00 0.00 C ATOM 769 CG ASN A 58 3.137 -15.502 -15.327 1.00 0.00 C ATOM 770 OD1 ASN A 58 3.973 -15.478 -16.228 1.00 0.00 O ATOM 771 ND2 ASN A 58 2.005 -16.198 -15.433 1.00 0.00 N ATOM 0 H ASN A 58 3.589 -13.200 -12.035 1.00 0.00 H new ATOM 0 HA ASN A 58 3.619 -12.702 -14.752 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.443 -14.799 -13.764 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.836 -15.227 -13.211 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.812 -16.732 -16.280 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.332 -16.197 -14.667 1.00 0.00 H new ATOM 778 N TRP A 59 0.554 -13.344 -13.708 1.00 0.00 N ATOM 779 CA TRP A 59 -0.858 -13.242 -14.087 1.00 0.00 C ATOM 780 C TRP A 59 -1.261 -11.764 -14.110 1.00 0.00 C ATOM 781 O TRP A 59 -1.913 -11.313 -15.042 1.00 0.00 O ATOM 782 CB TRP A 59 -1.755 -14.042 -13.118 1.00 0.00 C ATOM 783 CG TRP A 59 -1.422 -15.515 -13.047 1.00 0.00 C ATOM 784 CD1 TRP A 59 -0.889 -16.192 -11.982 1.00 0.00 C ATOM 785 CD2 TRP A 59 -1.593 -16.490 -14.092 1.00 0.00 C ATOM 786 NE1 TRP A 59 -0.732 -17.514 -12.298 1.00 0.00 N ATOM 787 CE2 TRP A 59 -1.147 -17.719 -13.583 1.00 0.00 C ATOM 788 CE3 TRP A 59 -2.075 -16.439 -15.408 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -1.178 -18.890 -14.338 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -2.108 -17.602 -16.155 1.00 0.00 C ATOM 791 CH2 TRP A 59 -1.652 -18.813 -15.620 1.00 0.00 C ATOM 0 H TRP A 59 0.710 -13.591 -12.731 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.994 -13.671 -15.080 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.669 -13.612 -12.120 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.795 -13.929 -13.425 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.631 -15.747 -11.032 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -0.364 -18.232 -11.674 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.415 -15.506 -15.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.839 -19.828 -13.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.491 -17.576 -17.165 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.675 -19.704 -16.231 1.00 0.00 H new ATOM 802 N HIS A 60 -0.906 -11.045 -13.032 1.00 0.00 N ATOM 803 CA HIS A 60 -1.097 -9.585 -12.931 1.00 0.00 C ATOM 804 C HIS A 60 -0.592 -8.773 -14.175 1.00 0.00 C ATOM 805 O HIS A 60 -1.221 -7.788 -14.541 1.00 0.00 O ATOM 806 CB HIS A 60 -0.446 -9.071 -11.620 1.00 0.00 C ATOM 807 CG HIS A 60 -0.475 -7.585 -11.474 1.00 0.00 C ATOM 808 ND1 HIS A 60 -1.576 -6.845 -11.146 1.00 0.00 N ATOM 809 CD2 HIS A 60 0.490 -6.710 -11.744 1.00 0.00 C ATOM 810 CE1 HIS A 60 -1.240 -5.554 -11.250 1.00 0.00 C ATOM 811 NE2 HIS A 60 0.023 -5.411 -11.632 1.00 0.00 N ATOM 0 H HIS A 60 -0.478 -11.459 -12.204 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.173 -9.412 -12.911 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -0.960 -9.520 -10.770 1.00 0.00 H new ATOM 0 HB3 HIS A 60 0.589 -9.410 -11.582 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.488 -7.210 -10.872 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.501 -6.977 -12.014 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.911 -4.732 -11.049 1.00 0.00 H new ATOM 819 N MET A 61 0.556 -9.118 -14.781 1.00 0.00 N ATOM 820 CA MET A 61 1.022 -8.430 -16.018 1.00 0.00 C ATOM 821 C MET A 61 0.135 -8.816 -17.219 1.00 0.00 C ATOM 822 O MET A 61 -0.155 -7.989 -18.085 1.00 0.00 O ATOM 823 CB MET A 61 2.542 -8.688 -16.287 1.00 0.00 C ATOM 824 CG MET A 61 2.946 -10.131 -16.650 1.00 0.00 C ATOM 825 SD MET A 61 2.508 -10.593 -18.346 1.00 0.00 S ATOM 826 CE MET A 61 3.064 -12.298 -18.435 1.00 0.00 C ATOM 0 H MET A 61 1.177 -9.856 -14.449 1.00 0.00 H new ATOM 0 HA MET A 61 0.920 -7.355 -15.870 1.00 0.00 H new ATOM 0 HB2 MET A 61 2.860 -8.032 -17.097 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.100 -8.392 -15.399 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.022 -10.244 -16.516 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.464 -10.821 -15.957 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.391 -12.522 -19.451 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.895 -12.446 -17.746 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.244 -12.963 -18.163 1.00 0.00 H new ATOM 836 N LYS A 62 -0.280 -10.091 -17.249 1.00 0.00 N ATOM 837 CA LYS A 62 -1.223 -10.621 -18.261 1.00 0.00 C ATOM 838 C LYS A 62 -2.627 -9.967 -18.129 1.00 0.00 C ATOM 839 O LYS A 62 -3.377 -9.888 -19.102 1.00 0.00 O ATOM 840 CB LYS A 62 -1.307 -12.171 -18.169 1.00 0.00 C ATOM 841 CG LYS A 62 -1.795 -12.862 -19.467 1.00 0.00 C ATOM 842 CD LYS A 62 -1.912 -14.401 -19.328 1.00 0.00 C ATOM 843 CE LYS A 62 -3.138 -14.851 -18.517 1.00 0.00 C ATOM 844 NZ LYS A 62 -4.406 -14.516 -19.210 1.00 0.00 N ATOM 0 H LYS A 62 0.026 -10.790 -16.573 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.840 -10.361 -19.248 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.323 -12.562 -17.912 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.979 -12.439 -17.354 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.766 -12.453 -19.746 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.105 -12.628 -20.278 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.961 -14.845 -20.322 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.010 -14.785 -18.851 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.088 -15.927 -18.349 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.122 -14.374 -17.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.192 -15.033 -18.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.580 -13.493 -19.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.336 -14.787 -20.212 1.00 0.00 H new ATOM 858 N LYS A 63 -2.963 -9.506 -16.910 1.00 0.00 N ATOM 859 CA LYS A 63 -4.210 -8.743 -16.658 1.00 0.00 C ATOM 860 C LYS A 63 -4.176 -7.430 -17.471 1.00 0.00 C ATOM 861 O LYS A 63 -5.199 -7.000 -17.998 1.00 0.00 O ATOM 862 CB LYS A 63 -4.484 -8.521 -15.122 1.00 0.00 C ATOM 863 CG LYS A 63 -4.119 -7.137 -14.493 1.00 0.00 C ATOM 864 CD LYS A 63 -5.157 -6.002 -14.722 1.00 0.00 C ATOM 865 CE LYS A 63 -6.573 -6.370 -14.264 1.00 0.00 C ATOM 866 NZ LYS A 63 -6.629 -6.678 -12.814 1.00 0.00 N ATOM 0 H LYS A 63 -2.389 -9.647 -16.078 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.061 -9.332 -17.002 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.545 -8.696 -14.946 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.939 -9.289 -14.573 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.983 -7.270 -13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.160 -6.815 -14.898 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.831 -5.109 -14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.180 -5.749 -15.782 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.251 -5.545 -14.485 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.924 -7.232 -14.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.608 -6.905 -12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.016 -7.492 -12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.303 -5.853 -12.271 1.00 0.00 H new ATOM 880 N HIS A 64 -2.965 -6.833 -17.606 1.00 0.00 N ATOM 881 CA HIS A 64 -2.756 -5.589 -18.390 1.00 0.00 C ATOM 882 C HIS A 64 -2.954 -5.829 -19.905 1.00 0.00 C ATOM 883 O HIS A 64 -3.171 -4.884 -20.666 1.00 0.00 O ATOM 884 CB HIS A 64 -1.350 -4.988 -18.127 1.00 0.00 C ATOM 885 CG HIS A 64 -1.152 -4.430 -16.743 1.00 0.00 C ATOM 886 ND1 HIS A 64 -1.657 -3.216 -16.334 1.00 0.00 N ATOM 887 CD2 HIS A 64 -0.434 -4.898 -15.693 1.00 0.00 C ATOM 888 CE1 HIS A 64 -1.233 -2.986 -15.094 1.00 0.00 C ATOM 889 NE2 HIS A 64 -0.481 -3.974 -14.662 1.00 0.00 N ATOM 0 H HIS A 64 -2.113 -7.196 -17.179 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.509 -4.874 -18.057 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.601 -5.760 -18.303 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.167 -4.196 -18.853 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.253 -2.600 -16.886 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.091 -5.841 -15.665 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.475 -2.105 -14.519 1.00 0.00 H new ATOM 897 N ASP A 65 -2.923 -7.104 -20.321 1.00 0.00 N ATOM 898 CA ASP A 65 -3.112 -7.501 -21.730 1.00 0.00 C ATOM 899 C ASP A 65 -4.621 -7.533 -22.063 1.00 0.00 C ATOM 900 O ASP A 65 -5.023 -7.333 -23.218 1.00 0.00 O ATOM 901 CB ASP A 65 -2.467 -8.897 -21.972 1.00 0.00 C ATOM 902 CG ASP A 65 -2.578 -9.378 -23.428 1.00 0.00 C ATOM 903 OD1 ASP A 65 -1.723 -8.998 -24.252 1.00 0.00 O ATOM 904 OD2 ASP A 65 -3.537 -10.121 -23.761 1.00 0.00 O ATOM 0 H ASP A 65 -2.766 -7.891 -19.692 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.627 -6.776 -22.383 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.415 -8.856 -21.690 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.944 -9.627 -21.319 1.00 0.00 H new ATOM 909 N ALA A 66 -5.451 -7.735 -21.021 1.00 0.00 N ATOM 910 CA ALA A 66 -6.896 -7.994 -21.163 1.00 0.00 C ATOM 911 C ALA A 66 -7.741 -6.785 -20.705 1.00 0.00 C ATOM 912 O ALA A 66 -8.743 -6.455 -21.326 1.00 0.00 O ATOM 913 CB ALA A 66 -7.272 -9.251 -20.348 1.00 0.00 C ATOM 0 H ALA A 66 -5.135 -7.723 -20.051 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.113 -8.160 -22.218 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.340 -9.445 -20.451 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.710 -10.107 -20.720 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.032 -9.088 -19.297 1.00 0.00 H new ATOM 919 N ASP A 67 -7.263 -6.049 -19.693 1.00 0.00 N ATOM 920 CA ASP A 67 -8.133 -5.185 -18.845 1.00 0.00 C ATOM 921 C ASP A 67 -8.727 -3.982 -19.613 1.00 0.00 C ATOM 922 O ASP A 67 -9.749 -3.420 -19.209 1.00 0.00 O ATOM 923 CB ASP A 67 -7.327 -4.675 -17.627 1.00 0.00 C ATOM 924 CG ASP A 67 -6.296 -3.578 -17.977 1.00 0.00 C ATOM 925 OD1 ASP A 67 -5.498 -3.774 -18.918 1.00 0.00 O ATOM 926 OD2 ASP A 67 -6.310 -2.504 -17.342 1.00 0.00 O ATOM 0 H ASP A 67 -6.277 -6.027 -19.431 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.972 -5.800 -18.521 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.020 -4.285 -16.882 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.807 -5.516 -17.169 1.00 0.00 H new ATOM 931 N SER A 68 -8.066 -3.613 -20.712 1.00 0.00 N ATOM 932 CA SER A 68 -8.390 -2.422 -21.495 1.00 0.00 C ATOM 933 C SER A 68 -9.773 -2.548 -22.189 1.00 0.00 C ATOM 934 O SER A 68 -10.636 -1.676 -22.026 1.00 0.00 O ATOM 935 CB SER A 68 -7.266 -2.196 -22.528 1.00 0.00 C ATOM 936 OG SER A 68 -5.974 -2.212 -21.916 1.00 0.00 O ATOM 0 H SER A 68 -7.279 -4.142 -21.087 1.00 0.00 H new ATOM 0 HA SER A 68 -8.458 -1.562 -20.829 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.315 -2.970 -23.294 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.419 -1.240 -23.029 1.00 0.00 H new ATOM 0 HG SER A 68 -5.287 -2.068 -22.599 1.00 0.00 H new ATOM 942 N PHE A 69 -9.976 -3.643 -22.952 1.00 0.00 N ATOM 943 CA PHE A 69 -11.229 -3.879 -23.715 1.00 0.00 C ATOM 944 C PHE A 69 -11.687 -5.334 -23.553 1.00 0.00 C ATOM 945 O PHE A 69 -12.867 -5.600 -23.303 1.00 0.00 O ATOM 946 CB PHE A 69 -11.014 -3.561 -25.231 1.00 0.00 C ATOM 947 CG PHE A 69 -10.592 -2.117 -25.523 1.00 0.00 C ATOM 948 CD1 PHE A 69 -11.535 -1.102 -25.602 1.00 0.00 C ATOM 949 CD2 PHE A 69 -9.249 -1.780 -25.692 1.00 0.00 C ATOM 950 CE1 PHE A 69 -11.153 0.201 -25.844 1.00 0.00 C ATOM 951 CE2 PHE A 69 -8.866 -0.475 -25.929 1.00 0.00 C ATOM 952 CZ PHE A 69 -9.821 0.515 -26.005 1.00 0.00 C ATOM 0 H PHE A 69 -9.285 -4.385 -23.059 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.999 -3.217 -23.319 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.255 -4.235 -25.627 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.939 -3.772 -25.768 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.581 -1.335 -25.472 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.496 -2.553 -25.637 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -11.900 0.978 -25.908 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.821 -0.231 -26.054 1.00 0.00 H new ATOM 0 HZ PHE A 69 -9.526 1.537 -26.191 1.00 0.00 H new ATOM 962 N TYR A 70 -10.735 -6.272 -23.661 1.00 0.00 N ATOM 963 CA TYR A 70 -11.013 -7.719 -23.684 1.00 0.00 C ATOM 964 C TYR A 70 -10.782 -8.305 -22.292 1.00 0.00 C ATOM 965 O TYR A 70 -9.983 -9.233 -22.128 1.00 0.00 O ATOM 966 CB TYR A 70 -10.087 -8.398 -24.724 1.00 0.00 C ATOM 967 CG TYR A 70 -10.193 -7.825 -26.142 1.00 0.00 C ATOM 968 CD1 TYR A 70 -11.430 -7.698 -26.780 1.00 0.00 C ATOM 969 CD2 TYR A 70 -9.054 -7.427 -26.843 1.00 0.00 C ATOM 970 CE1 TYR A 70 -11.527 -7.198 -28.059 1.00 0.00 C ATOM 971 CE2 TYR A 70 -9.146 -6.931 -28.128 1.00 0.00 C ATOM 972 CZ TYR A 70 -10.385 -6.819 -28.731 1.00 0.00 C ATOM 973 OH TYR A 70 -10.482 -6.336 -30.016 1.00 0.00 O ATOM 0 H TYR A 70 -9.743 -6.048 -23.735 1.00 0.00 H new ATOM 0 HA TYR A 70 -12.051 -7.896 -23.967 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -9.055 -8.308 -24.386 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -10.319 -9.462 -24.758 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.327 -7.998 -26.259 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.085 -7.508 -26.373 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.493 -7.103 -28.533 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.255 -6.632 -28.660 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.588 -6.112 -30.350 1.00 0.00 H new ATOM 983 N GLN A 71 -11.518 -7.768 -21.298 1.00 0.00 N ATOM 984 CA GLN A 71 -11.280 -8.023 -19.849 1.00 0.00 C ATOM 985 C GLN A 71 -11.443 -9.515 -19.497 1.00 0.00 C ATOM 986 O GLN A 71 -11.071 -9.946 -18.407 1.00 0.00 O ATOM 987 CB GLN A 71 -12.251 -7.155 -19.004 1.00 0.00 C ATOM 988 CG GLN A 71 -12.137 -5.648 -19.283 1.00 0.00 C ATOM 989 CD GLN A 71 -13.187 -4.803 -18.559 1.00 0.00 C ATOM 990 OE1 GLN A 71 -12.983 -4.362 -17.428 1.00 0.00 O ATOM 991 NE2 GLN A 71 -14.319 -4.568 -19.210 1.00 0.00 N ATOM 0 H GLN A 71 -12.302 -7.139 -21.472 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.251 -7.748 -19.618 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.274 -7.475 -19.200 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.058 -7.335 -17.946 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.144 -5.308 -18.988 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.226 -5.479 -20.356 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.457 -4.948 -20.146 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.051 -4.007 -18.774 1.00 0.00 H new ATOM 1000 N PHE A 72 -12.049 -10.279 -20.430 1.00 0.00 N ATOM 1001 CA PHE A 72 -12.213 -11.723 -20.350 1.00 0.00 C ATOM 1002 C PHE A 72 -11.844 -12.315 -21.712 1.00 0.00 C ATOM 1003 O PHE A 72 -12.138 -11.731 -22.754 1.00 0.00 O ATOM 1004 CB PHE A 72 -13.664 -12.077 -19.944 1.00 0.00 C ATOM 1005 CG PHE A 72 -13.970 -11.617 -18.520 1.00 0.00 C ATOM 1006 CD1 PHE A 72 -13.625 -12.406 -17.425 1.00 0.00 C ATOM 1007 CD2 PHE A 72 -14.524 -10.362 -18.276 1.00 0.00 C ATOM 1008 CE1 PHE A 72 -13.842 -11.963 -16.137 1.00 0.00 C ATOM 1009 CE2 PHE A 72 -14.728 -9.915 -16.992 1.00 0.00 C ATOM 1010 CZ PHE A 72 -14.390 -10.716 -15.920 1.00 0.00 C ATOM 0 H PHE A 72 -12.446 -9.883 -21.282 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.560 -12.144 -19.586 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.362 -11.609 -20.638 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -13.813 -13.154 -20.020 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.182 -13.377 -17.587 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -14.797 -9.731 -19.108 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -13.583 -12.592 -15.299 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -15.153 -8.937 -16.822 1.00 0.00 H new ATOM 0 HZ PHE A 72 -14.555 -10.366 -14.911 1.00 0.00 H new ATOM 1020 N SER A 73 -11.176 -13.456 -21.673 1.00 0.00 N ATOM 1021 CA SER A 73 -10.655 -14.163 -22.846 1.00 0.00 C ATOM 1022 C SER A 73 -11.105 -15.625 -22.815 1.00 0.00 C ATOM 1023 O SER A 73 -11.656 -16.087 -21.817 1.00 0.00 O ATOM 1024 CB SER A 73 -9.114 -14.046 -22.868 1.00 0.00 C ATOM 1025 OG SER A 73 -8.532 -14.555 -21.687 1.00 0.00 O ATOM 0 H SER A 73 -10.971 -13.937 -20.797 1.00 0.00 H new ATOM 0 HA SER A 73 -11.048 -13.714 -23.758 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.721 -14.587 -23.729 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.831 -13.001 -22.991 1.00 0.00 H new ATOM 0 HG SER A 73 -7.557 -14.466 -21.738 1.00 0.00 H new ATOM 1031 N CYS A 74 -10.903 -16.340 -23.924 1.00 0.00 N ATOM 1032 CA CYS A 74 -11.210 -17.771 -24.011 1.00 0.00 C ATOM 1033 C CYS A 74 -9.932 -18.482 -24.427 1.00 0.00 C ATOM 1034 O CYS A 74 -9.652 -18.523 -25.593 1.00 0.00 O ATOM 1035 CB CYS A 74 -12.337 -18.022 -25.039 1.00 0.00 C ATOM 1036 SG CYS A 74 -12.667 -19.783 -25.320 1.00 0.00 S ATOM 0 H CYS A 74 -10.523 -15.946 -24.785 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.561 -18.149 -23.051 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.250 -17.538 -24.693 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.068 -17.554 -25.986 1.00 0.00 H new ATOM 1041 N ASN A 75 -9.173 -19.044 -23.474 1.00 0.00 N ATOM 1042 CA ASN A 75 -7.790 -19.565 -23.718 1.00 0.00 C ATOM 1043 C ASN A 75 -7.704 -20.644 -24.845 1.00 0.00 C ATOM 1044 O ASN A 75 -6.615 -20.928 -25.351 1.00 0.00 O ATOM 1045 CB ASN A 75 -7.198 -20.124 -22.391 1.00 0.00 C ATOM 1046 CG ASN A 75 -5.694 -20.440 -22.462 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -4.934 -19.776 -23.175 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -5.258 -21.465 -21.743 1.00 0.00 N ATOM 0 H ASN A 75 -9.486 -19.157 -22.510 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.202 -18.719 -24.073 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.370 -19.400 -21.595 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.737 -21.031 -22.118 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.272 -21.724 -21.769 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.909 -21.995 -21.163 1.00 0.00 H new ATOM 1055 N ILE A 76 -8.855 -21.211 -25.254 1.00 0.00 N ATOM 1056 CA ILE A 76 -8.900 -22.292 -26.259 1.00 0.00 C ATOM 1057 C ILE A 76 -8.961 -21.724 -27.702 1.00 0.00 C ATOM 1058 O ILE A 76 -8.594 -22.420 -28.655 1.00 0.00 O ATOM 1059 CB ILE A 76 -10.106 -23.294 -26.011 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -10.356 -23.507 -24.469 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -9.872 -24.650 -26.749 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -11.159 -24.736 -24.078 1.00 0.00 C ATOM 0 H ILE A 76 -9.772 -20.936 -24.902 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.973 -22.855 -26.147 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.007 -22.847 -26.430 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.388 -23.558 -23.970 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.868 -22.627 -24.081 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.714 -25.316 -26.561 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.783 -24.471 -27.820 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.955 -25.111 -26.381 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.263 -24.773 -22.994 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.147 -24.686 -24.536 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.644 -25.632 -24.423 1.00 0.00 H new ATOM 1074 N CYS A 77 -9.433 -20.461 -27.870 1.00 0.00 N ATOM 1075 CA CYS A 77 -9.512 -19.828 -29.217 1.00 0.00 C ATOM 1076 C CYS A 77 -9.289 -18.292 -29.190 1.00 0.00 C ATOM 1077 O CYS A 77 -9.382 -17.643 -30.235 1.00 0.00 O ATOM 1078 CB CYS A 77 -10.876 -20.153 -29.873 1.00 0.00 C ATOM 1079 SG CYS A 77 -12.279 -19.275 -29.120 1.00 0.00 S ATOM 0 H CYS A 77 -9.759 -19.869 -27.106 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.699 -20.250 -29.808 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.828 -19.902 -30.933 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -11.054 -21.226 -29.808 1.00 0.00 H new ATOM 1084 N GLY A 78 -8.971 -17.733 -28.000 1.00 0.00 N ATOM 1085 CA GLY A 78 -8.776 -16.284 -27.790 1.00 0.00 C ATOM 1086 C GLY A 78 -9.928 -15.411 -28.267 1.00 0.00 C ATOM 1087 O GLY A 78 -9.697 -14.314 -28.779 1.00 0.00 O ATOM 0 H GLY A 78 -8.842 -18.283 -27.151 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.617 -16.103 -26.727 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.867 -15.975 -28.305 1.00 0.00 H new ATOM 1091 N LYS A 79 -11.173 -15.901 -28.093 1.00 0.00 N ATOM 1092 CA LYS A 79 -12.372 -15.262 -28.644 1.00 0.00 C ATOM 1093 C LYS A 79 -12.636 -13.891 -27.992 1.00 0.00 C ATOM 1094 O LYS A 79 -13.044 -12.956 -28.686 1.00 0.00 O ATOM 1095 CB LYS A 79 -13.563 -16.242 -28.472 1.00 0.00 C ATOM 1096 CG LYS A 79 -14.620 -16.210 -29.598 1.00 0.00 C ATOM 1097 CD LYS A 79 -15.429 -14.892 -29.688 1.00 0.00 C ATOM 1098 CE LYS A 79 -16.448 -14.884 -30.835 1.00 0.00 C ATOM 1099 NZ LYS A 79 -17.221 -13.619 -30.880 1.00 0.00 N ATOM 0 H LYS A 79 -11.369 -16.752 -27.565 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.231 -15.055 -29.705 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.169 -17.255 -28.397 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.058 -16.022 -27.526 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.120 -16.380 -30.552 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -15.314 -17.037 -29.450 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.952 -14.729 -28.745 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.739 -14.058 -29.818 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.929 -15.026 -31.783 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -17.133 -15.724 -30.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -17.898 -13.654 -31.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -17.737 -13.496 -29.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.570 -12.819 -31.017 1.00 0.00 H new ATOM 1113 N LYS A 80 -12.377 -13.793 -26.658 1.00 0.00 N ATOM 1114 CA LYS A 80 -12.499 -12.549 -25.862 1.00 0.00 C ATOM 1115 C LYS A 80 -13.977 -12.194 -25.662 1.00 0.00 C ATOM 1116 O LYS A 80 -14.688 -11.946 -26.636 1.00 0.00 O ATOM 1117 CB LYS A 80 -11.756 -11.322 -26.487 1.00 0.00 C ATOM 1118 CG LYS A 80 -10.317 -11.570 -26.986 1.00 0.00 C ATOM 1119 CD LYS A 80 -9.316 -11.950 -25.875 1.00 0.00 C ATOM 1120 CE LYS A 80 -7.894 -12.177 -26.428 1.00 0.00 C ATOM 1121 NZ LYS A 80 -6.923 -12.483 -25.358 1.00 0.00 N ATOM 0 H LYS A 80 -12.073 -14.592 -26.102 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.017 -12.758 -24.907 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.349 -10.954 -27.324 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.727 -10.526 -25.743 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.335 -12.366 -27.730 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.960 -10.672 -27.489 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.291 -11.160 -25.125 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.658 -12.855 -25.373 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.912 -12.997 -27.146 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.569 -11.287 -26.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.981 -12.628 -25.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.886 -11.690 -24.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.217 -13.347 -24.859 1.00 0.00 H new ATOM 1135 N PHE A 81 -14.442 -12.187 -24.406 1.00 0.00 N ATOM 1136 CA PHE A 81 -15.854 -11.853 -24.077 1.00 0.00 C ATOM 1137 C PHE A 81 -15.964 -10.723 -23.056 1.00 0.00 C ATOM 1138 O PHE A 81 -14.988 -10.369 -22.393 1.00 0.00 O ATOM 1139 CB PHE A 81 -16.593 -13.105 -23.558 1.00 0.00 C ATOM 1140 CG PHE A 81 -16.812 -14.151 -24.640 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -15.816 -15.069 -24.963 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -18.004 -14.184 -25.364 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -16.012 -15.985 -25.960 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -18.196 -15.101 -26.366 1.00 0.00 C ATOM 1145 CZ PHE A 81 -17.201 -16.001 -26.664 1.00 0.00 C ATOM 0 H PHE A 81 -13.868 -12.408 -23.592 1.00 0.00 H new ATOM 0 HA PHE A 81 -16.322 -11.506 -24.998 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -16.021 -13.547 -22.742 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -17.557 -12.807 -23.146 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -14.881 -15.058 -24.422 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -18.787 -13.477 -25.132 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -15.236 -16.697 -26.197 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -19.124 -15.116 -26.918 1.00 0.00 H new ATOM 0 HZ PHE A 81 -17.349 -16.724 -27.452 1.00 0.00 H new ATOM 1155 N GLU A 82 -17.191 -10.173 -22.964 1.00 0.00 N ATOM 1156 CA GLU A 82 -17.556 -9.124 -22.002 1.00 0.00 C ATOM 1157 C GLU A 82 -17.441 -9.624 -20.549 1.00 0.00 C ATOM 1158 O GLU A 82 -16.990 -8.888 -19.671 1.00 0.00 O ATOM 1159 CB GLU A 82 -19.005 -8.650 -22.286 1.00 0.00 C ATOM 1160 CG GLU A 82 -19.254 -8.211 -23.744 1.00 0.00 C ATOM 1161 CD GLU A 82 -20.706 -7.777 -24.015 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -21.586 -8.658 -24.155 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -20.982 -6.558 -24.086 1.00 0.00 O ATOM 0 H GLU A 82 -17.965 -10.452 -23.567 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.862 -8.292 -22.121 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -19.694 -9.458 -22.039 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -19.239 -7.817 -21.623 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -18.585 -7.385 -23.986 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -18.998 -9.034 -24.412 1.00 0.00 H new ATOM 1170 N LYS A 83 -17.850 -10.883 -20.315 1.00 0.00 N ATOM 1171 CA LYS A 83 -17.847 -11.488 -18.982 1.00 0.00 C ATOM 1172 C LYS A 83 -17.526 -12.983 -19.085 1.00 0.00 C ATOM 1173 O LYS A 83 -17.731 -13.604 -20.138 1.00 0.00 O ATOM 1174 CB LYS A 83 -19.205 -11.225 -18.282 1.00 0.00 C ATOM 1175 CG LYS A 83 -20.433 -11.751 -19.044 1.00 0.00 C ATOM 1176 CD LYS A 83 -21.762 -11.293 -18.409 1.00 0.00 C ATOM 1177 CE LYS A 83 -22.986 -11.827 -19.160 1.00 0.00 C ATOM 1178 NZ LYS A 83 -22.996 -11.426 -20.589 1.00 0.00 N ATOM 0 H LYS A 83 -18.191 -11.505 -21.048 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.069 -11.031 -18.370 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -19.184 -11.684 -17.294 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.319 -10.151 -18.133 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -20.390 -11.407 -20.077 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -20.402 -12.840 -19.069 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -21.801 -11.629 -17.373 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -21.797 -10.204 -18.392 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -23.004 -12.915 -19.091 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -23.892 -11.462 -18.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -23.948 -11.569 -20.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -22.735 -10.422 -20.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -22.312 -12.005 -21.117 1.00 0.00 H new ATOM 1192 N LYS A 84 -17.002 -13.546 -17.982 1.00 0.00 N ATOM 1193 CA LYS A 84 -16.609 -14.968 -17.908 1.00 0.00 C ATOM 1194 C LYS A 84 -17.816 -15.911 -18.059 1.00 0.00 C ATOM 1195 O LYS A 84 -17.657 -17.059 -18.475 1.00 0.00 O ATOM 1196 CB LYS A 84 -15.779 -15.247 -16.618 1.00 0.00 C ATOM 1197 CG LYS A 84 -16.437 -14.912 -15.250 1.00 0.00 C ATOM 1198 CD LYS A 84 -17.374 -16.024 -14.715 1.00 0.00 C ATOM 1199 CE LYS A 84 -17.843 -15.758 -13.276 1.00 0.00 C ATOM 1200 NZ LYS A 84 -18.625 -14.503 -13.147 1.00 0.00 N ATOM 0 H LYS A 84 -16.838 -13.031 -17.117 1.00 0.00 H new ATOM 0 HA LYS A 84 -15.961 -15.182 -18.758 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.513 -16.304 -16.612 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.848 -14.684 -16.690 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.653 -14.727 -14.516 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.006 -13.987 -15.348 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.243 -16.107 -15.367 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.855 -16.982 -14.753 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.452 -16.596 -12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.974 -15.708 -12.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.915 -14.375 -12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.039 -13.697 -13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.470 -14.557 -13.751 1.00 0.00 H new ATOM 1214 N ASP A 85 -19.015 -15.402 -17.727 1.00 0.00 N ATOM 1215 CA ASP A 85 -20.292 -16.102 -17.995 1.00 0.00 C ATOM 1216 C ASP A 85 -20.425 -16.422 -19.487 1.00 0.00 C ATOM 1217 O ASP A 85 -20.745 -17.554 -19.858 1.00 0.00 O ATOM 1218 CB ASP A 85 -21.493 -15.243 -17.515 1.00 0.00 C ATOM 1219 CG ASP A 85 -22.877 -15.799 -17.931 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -23.339 -16.795 -17.335 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -23.494 -15.250 -18.876 1.00 0.00 O ATOM 0 H ASP A 85 -19.131 -14.499 -17.268 1.00 0.00 H new ATOM 0 HA ASP A 85 -20.294 -17.040 -17.440 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -21.457 -15.164 -16.428 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -21.385 -14.234 -17.912 1.00 0.00 H new ATOM 1226 N SER A 86 -20.143 -15.409 -20.332 1.00 0.00 N ATOM 1227 CA SER A 86 -20.210 -15.535 -21.785 1.00 0.00 C ATOM 1228 C SER A 86 -19.137 -16.524 -22.319 1.00 0.00 C ATOM 1229 O SER A 86 -19.361 -17.195 -23.323 1.00 0.00 O ATOM 1230 CB SER A 86 -20.026 -14.148 -22.423 1.00 0.00 C ATOM 1231 OG SER A 86 -20.947 -13.199 -21.910 1.00 0.00 O ATOM 0 H SER A 86 -19.862 -14.481 -20.015 1.00 0.00 H new ATOM 0 HA SER A 86 -21.187 -15.936 -22.055 1.00 0.00 H new ATOM 0 HB2 SER A 86 -19.009 -13.799 -22.244 1.00 0.00 H new ATOM 0 HB3 SER A 86 -20.151 -14.227 -23.503 1.00 0.00 H new ATOM 0 HG SER A 86 -20.796 -12.331 -22.339 1.00 0.00 H new ATOM 1237 N VAL A 87 -17.985 -16.605 -21.615 1.00 0.00 N ATOM 1238 CA VAL A 87 -16.830 -17.445 -22.019 1.00 0.00 C ATOM 1239 C VAL A 87 -17.146 -18.929 -21.784 1.00 0.00 C ATOM 1240 O VAL A 87 -16.977 -19.754 -22.668 1.00 0.00 O ATOM 1241 CB VAL A 87 -15.519 -17.075 -21.210 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -14.327 -17.993 -21.592 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -15.133 -15.585 -21.372 1.00 0.00 C ATOM 0 H VAL A 87 -17.828 -16.090 -20.749 1.00 0.00 H new ATOM 0 HA VAL A 87 -16.653 -17.256 -23.078 1.00 0.00 H new ATOM 0 HB VAL A 87 -15.751 -17.243 -20.158 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.448 -17.706 -21.015 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -14.582 -19.030 -21.374 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -14.113 -17.888 -22.656 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -14.229 -15.379 -20.800 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -14.953 -15.368 -22.425 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -15.945 -14.957 -21.006 1.00 0.00 H new ATOM 1253 N VAL A 88 -17.636 -19.210 -20.570 1.00 0.00 N ATOM 1254 CA VAL A 88 -17.902 -20.569 -20.059 1.00 0.00 C ATOM 1255 C VAL A 88 -19.125 -21.146 -20.777 1.00 0.00 C ATOM 1256 O VAL A 88 -19.169 -22.344 -21.104 1.00 0.00 O ATOM 1257 CB VAL A 88 -18.120 -20.542 -18.494 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -18.573 -21.924 -17.941 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -16.833 -20.056 -17.772 1.00 0.00 C ATOM 0 H VAL A 88 -17.866 -18.481 -19.894 1.00 0.00 H new ATOM 0 HA VAL A 88 -17.041 -21.207 -20.258 1.00 0.00 H new ATOM 0 HB VAL A 88 -18.925 -19.836 -18.291 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.710 -21.857 -16.862 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -19.514 -22.212 -18.409 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -17.812 -22.672 -18.164 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.002 -20.044 -16.695 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.009 -20.732 -18.002 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -16.583 -19.051 -18.111 1.00 0.00 H new ATOM 1269 N ALA A 89 -20.083 -20.246 -21.069 1.00 0.00 N ATOM 1270 CA ALA A 89 -21.281 -20.582 -21.843 1.00 0.00 C ATOM 1271 C ALA A 89 -20.875 -21.001 -23.257 1.00 0.00 C ATOM 1272 O ALA A 89 -21.326 -22.024 -23.765 1.00 0.00 O ATOM 1273 CB ALA A 89 -22.265 -19.399 -21.887 1.00 0.00 C ATOM 0 H ALA A 89 -20.044 -19.270 -20.774 1.00 0.00 H new ATOM 0 HA ALA A 89 -21.790 -21.413 -21.355 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -23.144 -19.678 -22.468 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -22.568 -19.140 -20.873 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -21.781 -18.540 -22.352 1.00 0.00 H new ATOM 1279 N HIS A 90 -19.948 -20.221 -23.841 1.00 0.00 N ATOM 1280 CA HIS A 90 -19.450 -20.440 -25.217 1.00 0.00 C ATOM 1281 C HIS A 90 -18.517 -21.673 -25.291 1.00 0.00 C ATOM 1282 O HIS A 90 -18.511 -22.386 -26.285 1.00 0.00 O ATOM 1283 CB HIS A 90 -18.734 -19.144 -25.730 1.00 0.00 C ATOM 1284 CG HIS A 90 -17.521 -19.361 -26.603 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -17.562 -19.493 -27.968 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -16.213 -19.451 -26.263 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -16.313 -19.648 -28.400 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -15.455 -19.632 -27.403 1.00 0.00 N ATOM 0 H HIS A 90 -19.521 -19.420 -23.375 1.00 0.00 H new ATOM 0 HA HIS A 90 -20.299 -20.650 -25.868 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -19.457 -18.550 -26.288 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.434 -18.552 -24.865 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -18.401 -19.475 -28.548 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -15.824 -19.391 -25.257 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -16.039 -19.771 -29.437 1.00 0.00 H new ATOM 1296 N LYS A 91 -17.741 -21.890 -24.220 1.00 0.00 N ATOM 1297 CA LYS A 91 -16.668 -22.906 -24.161 1.00 0.00 C ATOM 1298 C LYS A 91 -17.293 -24.297 -24.149 1.00 0.00 C ATOM 1299 O LYS A 91 -16.796 -25.228 -24.780 1.00 0.00 O ATOM 1300 CB LYS A 91 -15.778 -22.668 -22.905 1.00 0.00 C ATOM 1301 CG LYS A 91 -14.487 -23.536 -22.817 1.00 0.00 C ATOM 1302 CD LYS A 91 -14.685 -24.940 -22.196 1.00 0.00 C ATOM 1303 CE LYS A 91 -15.259 -24.893 -20.776 1.00 0.00 C ATOM 1304 NZ LYS A 91 -15.553 -26.247 -20.272 1.00 0.00 N ATOM 0 H LYS A 91 -17.839 -21.359 -23.354 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.028 -22.824 -25.040 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.489 -21.617 -22.881 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.380 -22.854 -22.015 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.077 -23.653 -23.820 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -13.744 -22.997 -22.230 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.352 -25.521 -22.832 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.728 -25.461 -22.178 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.549 -24.401 -20.111 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.170 -24.294 -20.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.940 -26.182 -19.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.248 -26.706 -20.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.678 -26.809 -20.256 1.00 0.00 H new ATOM 1318 N ALA A 92 -18.408 -24.400 -23.422 1.00 0.00 N ATOM 1319 CA ALA A 92 -19.171 -25.639 -23.307 1.00 0.00 C ATOM 1320 C ALA A 92 -19.803 -26.042 -24.660 1.00 0.00 C ATOM 1321 O ALA A 92 -20.090 -27.223 -24.889 1.00 0.00 O ATOM 1322 CB ALA A 92 -20.240 -25.507 -22.214 1.00 0.00 C ATOM 0 H ALA A 92 -18.806 -23.622 -22.896 1.00 0.00 H new ATOM 0 HA ALA A 92 -18.483 -26.435 -23.022 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -20.801 -26.438 -22.140 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -19.759 -25.295 -21.259 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -20.920 -24.693 -22.466 1.00 0.00 H new ATOM 1328 N LYS A 93 -19.993 -25.054 -25.558 1.00 0.00 N ATOM 1329 CA LYS A 93 -20.625 -25.280 -26.880 1.00 0.00 C ATOM 1330 C LYS A 93 -19.557 -25.585 -27.939 1.00 0.00 C ATOM 1331 O LYS A 93 -19.642 -26.575 -28.662 1.00 0.00 O ATOM 1332 CB LYS A 93 -21.440 -24.031 -27.320 1.00 0.00 C ATOM 1333 CG LYS A 93 -22.486 -23.567 -26.293 1.00 0.00 C ATOM 1334 CD LYS A 93 -23.285 -22.323 -26.756 1.00 0.00 C ATOM 1335 CE LYS A 93 -24.167 -21.742 -25.632 1.00 0.00 C ATOM 1336 NZ LYS A 93 -25.123 -22.740 -25.080 1.00 0.00 N ATOM 0 H LYS A 93 -19.717 -24.086 -25.393 1.00 0.00 H new ATOM 0 HA LYS A 93 -21.298 -26.132 -26.788 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -20.749 -23.210 -27.514 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -21.944 -24.253 -28.261 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -23.180 -24.384 -26.096 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -21.986 -23.340 -25.352 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -22.591 -21.557 -27.103 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -23.913 -22.593 -27.605 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -23.529 -21.373 -24.829 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -24.722 -20.887 -26.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -25.737 -22.281 -24.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -25.707 -23.125 -25.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -24.595 -23.513 -24.627 1.00 0.00 H new ATOM 1350 N SER A 94 -18.548 -24.710 -27.984 1.00 0.00 N ATOM 1351 CA SER A 94 -17.538 -24.653 -29.041 1.00 0.00 C ATOM 1352 C SER A 94 -16.379 -25.630 -28.777 1.00 0.00 C ATOM 1353 O SER A 94 -15.689 -26.053 -29.715 1.00 0.00 O ATOM 1354 CB SER A 94 -17.005 -23.204 -29.149 1.00 0.00 C ATOM 1355 OG SER A 94 -15.995 -23.079 -30.135 1.00 0.00 O ATOM 0 H SER A 94 -18.409 -24.001 -27.264 1.00 0.00 H new ATOM 0 HA SER A 94 -18.002 -24.952 -29.981 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.829 -22.532 -29.388 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.609 -22.891 -28.183 1.00 0.00 H new ATOM 0 HG SER A 94 -15.687 -22.149 -30.172 1.00 0.00 H new ATOM 1361 N HIS A 95 -16.169 -25.995 -27.489 1.00 0.00 N ATOM 1362 CA HIS A 95 -14.995 -26.804 -27.068 1.00 0.00 C ATOM 1363 C HIS A 95 -15.413 -27.991 -26.142 1.00 0.00 C ATOM 1364 O HIS A 95 -14.954 -28.061 -24.990 1.00 0.00 O ATOM 1365 CB HIS A 95 -13.942 -25.894 -26.344 1.00 0.00 C ATOM 1366 CG HIS A 95 -13.643 -24.582 -27.028 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -13.145 -24.465 -28.306 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -13.797 -23.316 -26.575 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -13.019 -23.162 -28.578 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -13.402 -22.426 -27.553 1.00 0.00 N ATOM 0 H HIS A 95 -16.795 -25.744 -26.724 1.00 0.00 H new ATOM 0 HA HIS A 95 -14.546 -27.228 -27.966 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -14.299 -25.686 -25.335 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.011 -26.453 -26.244 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.913 -25.235 -28.934 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -14.171 -23.044 -25.599 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.652 -22.765 -29.513 1.00 0.00 H new ATOM 1378 N PRO A 96 -16.299 -28.947 -26.606 1.00 0.00 N ATOM 1379 CA PRO A 96 -16.563 -30.202 -25.855 1.00 0.00 C ATOM 1380 C PRO A 96 -15.353 -31.163 -25.936 1.00 0.00 C ATOM 1381 O PRO A 96 -15.086 -31.920 -25.005 1.00 0.00 O ATOM 1382 CB PRO A 96 -17.821 -30.785 -26.554 1.00 0.00 C ATOM 1383 CG PRO A 96 -17.749 -30.262 -27.957 1.00 0.00 C ATOM 1384 CD PRO A 96 -17.128 -28.880 -27.846 1.00 0.00 C ATOM 0 HA PRO A 96 -16.721 -30.041 -24.789 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -17.815 -31.875 -26.536 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -18.736 -30.463 -26.057 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -17.145 -30.914 -28.588 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -18.740 -30.211 -28.408 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.519 -28.646 -28.719 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -17.891 -28.105 -27.773 1.00 0.00 H new ATOM 1392 N GLU A 97 -14.635 -31.101 -27.073 1.00 0.00 N ATOM 1393 CA GLU A 97 -13.425 -31.865 -27.338 1.00 0.00 C ATOM 1394 C GLU A 97 -12.344 -30.884 -27.812 1.00 0.00 C ATOM 1395 O GLU A 97 -12.326 -30.462 -28.973 1.00 0.00 O ATOM 1396 CB GLU A 97 -13.707 -32.970 -28.397 1.00 0.00 C ATOM 1397 CG GLU A 97 -14.600 -34.124 -27.893 1.00 0.00 C ATOM 1398 CD GLU A 97 -13.915 -34.989 -26.817 1.00 0.00 C ATOM 1399 OE1 GLU A 97 -13.188 -35.939 -27.187 1.00 0.00 O ATOM 1400 OE2 GLU A 97 -14.082 -34.727 -25.604 1.00 0.00 O ATOM 0 H GLU A 97 -14.899 -30.495 -27.850 1.00 0.00 H new ATOM 0 HA GLU A 97 -13.081 -32.372 -26.437 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.182 -32.512 -29.265 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.757 -33.383 -28.735 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -15.523 -33.711 -27.486 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -14.878 -34.756 -28.736 1.00 0.00 H new ATOM 1407 N VAL A 98 -11.494 -30.498 -26.868 1.00 0.00 N ATOM 1408 CA VAL A 98 -10.360 -29.589 -27.095 1.00 0.00 C ATOM 1409 C VAL A 98 -9.275 -30.287 -27.954 1.00 0.00 C ATOM 1410 O VAL A 98 -9.029 -29.853 -29.099 1.00 0.00 O ATOM 1411 CB VAL A 98 -9.766 -29.090 -25.726 1.00 0.00 C ATOM 1412 CG1 VAL A 98 -8.547 -28.150 -25.938 1.00 0.00 C ATOM 1413 CG2 VAL A 98 -10.870 -28.407 -24.869 1.00 0.00 C ATOM 1414 OXT VAL A 98 -8.722 -31.309 -27.494 1.00 0.00 O ATOM 0 H VAL A 98 -11.569 -30.811 -25.900 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.716 -28.716 -27.641 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.403 -29.961 -25.180 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.165 -27.826 -24.970 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.765 -28.685 -26.477 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.855 -27.279 -26.516 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.441 -28.068 -23.926 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.275 -27.552 -25.411 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -11.669 -29.121 -24.669 1.00 0.00 H new TER 1424 VAL A 98 HETATM 1425 ZN ZN A 101 14.896 -0.060 3.866 1.00 0.00 ZN HETATM 1426 ZN ZN A 102 0.687 -3.973 -12.954 1.00 0.00 ZN HETATM 1427 ZN ZN A 103 -13.510 -20.348 -27.411 1.00 0.00 ZN