USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1025 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 22 HIS HD1 : A 22 HIS ND1 : A 139 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 138 ZNZN :(H bumps) USER MOD NoAdj-H: A 50 HIS HE2 : A 50 HIS NE2 : A 138 ZNZN :(H bumps) USER MOD NoAdj-H: A 101 HIS HD1 : A 101 HIS ND1 : A 141 ZNZN :(H bumps) USER MOD NoAdj-H: A 118 HIS HD1 : A 118 HIS ND1 : A 142 ZNZN :(H bumps) USER MOD NoAdj-H: A 134 HIS HD1 : A 134 HIS ND1 : A 143 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0112 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 56:sc= 0.0157 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.317 X(o=0.32,f=0) USER MOD Single : A 23 TYR OH : rot 165:sc= 0.492 USER MOD Single : A 27 CYS SG : rot 138:sc= 0.725 USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= 0.722 (180deg=0.348) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -141:sc= 0.307 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 46 ASN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.63 K(o=0.63,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc=-0.00992 (180deg=-0.0971) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= -0.0103 (180deg=-0.1) USER MOD Single : A 61 GLN : amide:sc= -0.289 K(o=-0.29,f=-2) USER MOD Single : A 64 ASN : amide:sc= -0.0742 K(o=-0.074,f=-2.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -3.87! C(o=-3.9!,f=-4!) USER MOD Single : A 70 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.51) USER MOD Single : A 72 GLN : amide:sc= -0.169 X(o=-0.17,f=0.054) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 86:sc= 0.345! USER MOD Single : A 85 TYR OH : rot -168:sc= 0.733 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.191 K(o=-0.19,f=-1) USER MOD Single : A 95 LYS NZ :NH3+ 179:sc= -0.371 (180deg=-0.408) USER MOD Single : A 97 LYS NZ :NH3+ 159:sc= 1.06 (180deg=-0.195) USER MOD Single : A 98 LYS NZ :NH3+ -152:sc= 0.48 (180deg=0.179) USER MOD Single : A 99 GLN : amide:sc= -0.294 K(o=-0.29,f=-5.4!) USER MOD Single : A 100 TYR OH : rot 141:sc= 0.205 USER MOD Single : A 104 ASN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 158:sc= 0.237 (180deg=0.104) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 128 MET CE :methyl 167:sc= -0.267 (180deg=-0.614) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 GLN : amide:sc= -0.934 X(o=-0.93,f=-1.2) USER MOD Single : A 135 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0247) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -40.161 -21.327 -9.251 1.00 0.00 N ATOM 2 CA MET A 1 -40.704 -19.962 -9.433 1.00 0.00 C ATOM 3 C MET A 1 -39.774 -18.932 -8.775 1.00 0.00 C ATOM 4 O MET A 1 -39.255 -19.164 -7.674 1.00 0.00 O ATOM 5 CB MET A 1 -42.153 -19.863 -8.864 1.00 0.00 C ATOM 6 CG MET A 1 -42.295 -20.172 -7.364 1.00 0.00 C ATOM 7 SD MET A 1 -43.999 -20.020 -6.784 1.00 0.00 S ATOM 8 CE MET A 1 -43.825 -20.422 -5.042 1.00 0.00 C ATOM 0 H1 MET A 1 -40.945 -21.997 -9.112 1.00 0.00 H new ATOM 0 H2 MET A 1 -39.618 -21.600 -10.095 1.00 0.00 H new ATOM 0 H3 MET A 1 -39.539 -21.345 -8.418 1.00 0.00 H new ATOM 0 HA MET A 1 -40.755 -19.743 -10.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 -42.529 -18.857 -9.048 1.00 0.00 H new ATOM 0 HB3 MET A 1 -42.792 -20.549 -9.421 1.00 0.00 H new ATOM 0 HG2 MET A 1 -41.937 -21.183 -7.169 1.00 0.00 H new ATOM 0 HG3 MET A 1 -41.659 -19.494 -6.795 1.00 0.00 H new ATOM 0 HE1 MET A 1 -44.800 -20.368 -4.557 1.00 0.00 H new ATOM 0 HE2 MET A 1 -43.424 -21.430 -4.940 1.00 0.00 H new ATOM 0 HE3 MET A 1 -43.145 -19.712 -4.571 1.00 0.00 H new ATOM 20 N ALA A 2 -39.564 -17.802 -9.465 1.00 0.00 N ATOM 21 CA ALA A 2 -38.694 -16.704 -9.004 1.00 0.00 C ATOM 22 C ALA A 2 -38.976 -15.441 -9.831 1.00 0.00 C ATOM 23 O ALA A 2 -39.252 -15.530 -11.035 1.00 0.00 O ATOM 24 CB ALA A 2 -37.205 -17.096 -9.106 1.00 0.00 C ATOM 0 H ALA A 2 -39.998 -17.620 -10.370 1.00 0.00 H new ATOM 0 HA ALA A 2 -38.913 -16.503 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -36.586 -16.268 -8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -37.017 -17.973 -8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -36.959 -17.324 -10.143 1.00 0.00 H new ATOM 30 N ALA A 3 -38.932 -14.273 -9.173 1.00 0.00 N ATOM 31 CA ALA A 3 -39.064 -12.970 -9.841 1.00 0.00 C ATOM 32 C ALA A 3 -37.847 -12.716 -10.753 1.00 0.00 C ATOM 33 O ALA A 3 -36.702 -12.898 -10.315 1.00 0.00 O ATOM 34 CB ALA A 3 -39.205 -11.850 -8.796 1.00 0.00 C ATOM 0 H ALA A 3 -38.804 -14.205 -8.163 1.00 0.00 H new ATOM 0 HA ALA A 3 -39.962 -12.977 -10.459 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -39.302 -10.890 -9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -40.091 -12.030 -8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -38.322 -11.835 -8.157 1.00 0.00 H new ATOM 40 N THR A 4 -38.101 -12.342 -12.022 1.00 0.00 N ATOM 41 CA THR A 4 -37.039 -12.016 -12.987 1.00 0.00 C ATOM 42 C THR A 4 -36.359 -10.677 -12.611 1.00 0.00 C ATOM 43 O THR A 4 -36.739 -9.597 -13.093 1.00 0.00 O ATOM 44 CB THR A 4 -37.593 -11.990 -14.458 1.00 0.00 C ATOM 45 OG1 THR A 4 -38.849 -11.292 -14.496 1.00 0.00 O ATOM 46 CG2 THR A 4 -37.782 -13.406 -15.038 1.00 0.00 C ATOM 0 H THR A 4 -39.043 -12.258 -12.403 1.00 0.00 H new ATOM 0 HA THR A 4 -36.284 -12.801 -12.943 1.00 0.00 H new ATOM 0 HB THR A 4 -36.853 -11.474 -15.070 1.00 0.00 H new ATOM 0 HG1 THR A 4 -38.737 -10.396 -14.116 1.00 0.00 H new ATOM 0 HG21 THR A 4 -38.166 -13.334 -16.055 1.00 0.00 H new ATOM 0 HG22 THR A 4 -36.824 -13.926 -15.048 1.00 0.00 H new ATOM 0 HG23 THR A 4 -38.489 -13.960 -14.421 1.00 0.00 H new ATOM 54 N ALA A 5 -35.389 -10.773 -11.682 1.00 0.00 N ATOM 55 CA ALA A 5 -34.582 -9.635 -11.223 1.00 0.00 C ATOM 56 C ALA A 5 -33.439 -9.390 -12.216 1.00 0.00 C ATOM 57 O ALA A 5 -32.712 -10.328 -12.572 1.00 0.00 O ATOM 58 CB ALA A 5 -34.030 -9.898 -9.809 1.00 0.00 C ATOM 0 H ALA A 5 -35.144 -11.652 -11.227 1.00 0.00 H new ATOM 0 HA ALA A 5 -35.209 -8.745 -11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -33.435 -9.044 -9.486 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -34.859 -10.045 -9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -33.405 -10.791 -9.823 1.00 0.00 H new ATOM 64 N ARG A 6 -33.298 -8.137 -12.670 1.00 0.00 N ATOM 65 CA ARG A 6 -32.274 -7.739 -13.653 1.00 0.00 C ATOM 66 C ARG A 6 -31.496 -6.525 -13.115 1.00 0.00 C ATOM 67 O ARG A 6 -31.647 -5.390 -13.580 1.00 0.00 O ATOM 68 CB ARG A 6 -32.887 -7.491 -15.083 1.00 0.00 C ATOM 69 CG ARG A 6 -34.026 -6.435 -15.198 1.00 0.00 C ATOM 70 CD ARG A 6 -35.377 -6.897 -14.626 1.00 0.00 C ATOM 71 NE ARG A 6 -36.400 -5.836 -14.704 1.00 0.00 N ATOM 72 CZ ARG A 6 -37.628 -5.893 -14.162 1.00 0.00 C ATOM 73 NH1 ARG A 6 -38.035 -6.966 -13.494 1.00 0.00 N ATOM 74 NH2 ARG A 6 -38.454 -4.862 -14.300 1.00 0.00 N ATOM 0 H ARG A 6 -33.892 -7.366 -12.366 1.00 0.00 H new ATOM 0 HA ARG A 6 -31.571 -8.561 -13.785 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -32.079 -7.189 -15.749 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -33.269 -8.441 -15.456 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -33.717 -5.527 -14.681 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -34.159 -6.174 -16.248 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -35.722 -7.774 -15.173 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -35.247 -7.200 -13.587 1.00 0.00 H new ATOM 0 HE ARG A 6 -36.154 -4.987 -15.213 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -37.411 -7.766 -13.385 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -38.971 -6.990 -13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -38.155 -4.034 -14.815 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -39.388 -4.898 -13.891 1.00 0.00 H new ATOM 88 N GLU A 7 -30.689 -6.780 -12.071 1.00 0.00 N ATOM 89 CA GLU A 7 -29.806 -5.768 -11.486 1.00 0.00 C ATOM 90 C GLU A 7 -28.623 -5.510 -12.439 1.00 0.00 C ATOM 91 O GLU A 7 -27.593 -6.200 -12.386 1.00 0.00 O ATOM 92 CB GLU A 7 -29.318 -6.195 -10.072 1.00 0.00 C ATOM 93 CG GLU A 7 -28.459 -5.127 -9.351 1.00 0.00 C ATOM 94 CD GLU A 7 -28.105 -5.495 -7.901 1.00 0.00 C ATOM 95 OE1 GLU A 7 -28.930 -5.240 -6.995 1.00 0.00 O ATOM 96 OE2 GLU A 7 -27.004 -6.038 -7.659 1.00 0.00 O ATOM 0 H GLU A 7 -30.634 -7.690 -11.614 1.00 0.00 H new ATOM 0 HA GLU A 7 -30.363 -4.840 -11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -30.186 -6.426 -9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -28.737 -7.113 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -27.538 -4.974 -9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -28.996 -4.178 -9.355 1.00 0.00 H new ATOM 103 N ASP A 8 -28.840 -4.577 -13.381 1.00 0.00 N ATOM 104 CA ASP A 8 -27.795 -4.089 -14.292 1.00 0.00 C ATOM 105 C ASP A 8 -26.898 -3.088 -13.546 1.00 0.00 C ATOM 106 O ASP A 8 -25.671 -3.153 -13.651 1.00 0.00 O ATOM 107 CB ASP A 8 -28.421 -3.449 -15.574 1.00 0.00 C ATOM 108 CG ASP A 8 -29.373 -2.265 -15.293 1.00 0.00 C ATOM 109 OD1 ASP A 8 -30.566 -2.502 -14.996 1.00 0.00 O ATOM 110 OD2 ASP A 8 -28.934 -1.096 -15.369 1.00 0.00 O ATOM 0 H ASP A 8 -29.749 -4.139 -13.531 1.00 0.00 H new ATOM 0 HA ASP A 8 -27.185 -4.930 -14.621 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -27.617 -3.107 -16.225 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -28.968 -4.218 -16.120 1.00 0.00 H new ATOM 115 N GLY A 9 -27.541 -2.198 -12.754 1.00 0.00 N ATOM 116 CA GLY A 9 -26.853 -1.152 -12.006 1.00 0.00 C ATOM 117 C GLY A 9 -26.044 -0.234 -12.918 1.00 0.00 C ATOM 118 O GLY A 9 -26.616 0.644 -13.581 1.00 0.00 O ATOM 0 H GLY A 9 -28.553 -2.196 -12.624 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -27.584 -0.561 -11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -26.190 -1.608 -11.271 1.00 0.00 H new ATOM 122 N ALA A 10 -24.713 -0.480 -12.956 1.00 0.00 N ATOM 123 CA ALA A 10 -23.749 0.211 -13.842 1.00 0.00 C ATOM 124 C ALA A 10 -23.765 1.744 -13.638 1.00 0.00 C ATOM 125 O ALA A 10 -23.568 2.517 -14.590 1.00 0.00 O ATOM 126 CB ALA A 10 -23.995 -0.188 -15.316 1.00 0.00 C ATOM 0 H ALA A 10 -24.271 -1.179 -12.359 1.00 0.00 H new ATOM 0 HA ALA A 10 -22.745 -0.115 -13.570 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.279 0.327 -15.957 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -23.871 -1.265 -15.427 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.008 0.092 -15.605 1.00 0.00 H new ATOM 132 N THR A 11 -23.981 2.167 -12.375 1.00 0.00 N ATOM 133 CA THR A 11 -23.949 3.583 -11.983 1.00 0.00 C ATOM 134 C THR A 11 -22.514 4.135 -12.124 1.00 0.00 C ATOM 135 O THR A 11 -21.544 3.432 -11.831 1.00 0.00 O ATOM 136 CB THR A 11 -24.481 3.793 -10.519 1.00 0.00 C ATOM 137 OG1 THR A 11 -24.564 5.192 -10.218 1.00 0.00 O ATOM 138 CG2 THR A 11 -23.607 3.098 -9.453 1.00 0.00 C ATOM 0 H THR A 11 -24.182 1.533 -11.602 1.00 0.00 H new ATOM 0 HA THR A 11 -24.612 4.133 -12.651 1.00 0.00 H new ATOM 0 HB THR A 11 -25.470 3.335 -10.483 1.00 0.00 H new ATOM 0 HG1 THR A 11 -24.898 5.311 -9.304 1.00 0.00 H new ATOM 0 HG21 THR A 11 -24.026 3.280 -8.464 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.583 2.025 -9.645 1.00 0.00 H new ATOM 0 HG23 THR A 11 -22.594 3.497 -9.497 1.00 0.00 H new ATOM 146 N GLY A 12 -22.390 5.377 -12.592 1.00 0.00 N ATOM 147 CA GLY A 12 -21.085 6.004 -12.817 1.00 0.00 C ATOM 148 C GLY A 12 -21.131 7.485 -12.520 1.00 0.00 C ATOM 149 O GLY A 12 -22.191 8.114 -12.627 1.00 0.00 O ATOM 0 H GLY A 12 -23.184 5.974 -12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -20.336 5.527 -12.185 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.777 5.847 -13.851 1.00 0.00 H new ATOM 153 N GLU A 13 -19.976 8.040 -12.148 1.00 0.00 N ATOM 154 CA GLU A 13 -19.837 9.444 -11.748 1.00 0.00 C ATOM 155 C GLU A 13 -18.760 10.108 -12.616 1.00 0.00 C ATOM 156 O GLU A 13 -17.669 9.555 -12.800 1.00 0.00 O ATOM 157 CB GLU A 13 -19.493 9.521 -10.231 1.00 0.00 C ATOM 158 CG GLU A 13 -20.597 8.923 -9.325 1.00 0.00 C ATOM 159 CD GLU A 13 -20.189 8.802 -7.849 1.00 0.00 C ATOM 160 OE1 GLU A 13 -19.564 7.783 -7.478 1.00 0.00 O ATOM 161 OE2 GLU A 13 -20.490 9.716 -7.052 1.00 0.00 O ATOM 0 H GLU A 13 -19.098 7.521 -12.115 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.773 9.981 -11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.557 8.992 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -19.329 10.563 -9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -21.489 9.545 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -20.867 7.936 -9.700 1.00 0.00 H new ATOM 168 N GLU A 14 -19.085 11.294 -13.153 1.00 0.00 N ATOM 169 CA GLU A 14 -18.183 12.092 -14.010 1.00 0.00 C ATOM 170 C GLU A 14 -17.359 13.082 -13.159 1.00 0.00 C ATOM 171 O GLU A 14 -17.068 14.207 -13.585 1.00 0.00 O ATOM 172 CB GLU A 14 -19.032 12.822 -15.093 1.00 0.00 C ATOM 173 CG GLU A 14 -19.753 11.879 -16.081 1.00 0.00 C ATOM 174 CD GLU A 14 -18.780 11.011 -16.902 1.00 0.00 C ATOM 175 OE1 GLU A 14 -18.268 11.489 -17.940 1.00 0.00 O ATOM 176 OE2 GLU A 14 -18.507 9.853 -16.508 1.00 0.00 O ATOM 0 H GLU A 14 -19.993 11.735 -13.005 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.469 11.437 -14.510 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.776 13.445 -14.596 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.382 13.491 -15.657 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.431 11.230 -15.527 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.364 12.472 -16.761 1.00 0.00 H new ATOM 183 N ARG A 15 -16.958 12.619 -11.967 1.00 0.00 N ATOM 184 CA ARG A 15 -16.211 13.409 -10.974 1.00 0.00 C ATOM 185 C ARG A 15 -14.754 12.907 -10.890 1.00 0.00 C ATOM 186 O ARG A 15 -14.476 11.742 -11.208 1.00 0.00 O ATOM 187 CB ARG A 15 -16.916 13.288 -9.593 1.00 0.00 C ATOM 188 CG ARG A 15 -16.339 14.169 -8.448 1.00 0.00 C ATOM 189 CD ARG A 15 -16.623 15.687 -8.605 1.00 0.00 C ATOM 190 NE ARG A 15 -15.852 16.338 -9.697 1.00 0.00 N ATOM 191 CZ ARG A 15 -14.948 17.322 -9.529 1.00 0.00 C ATOM 192 NH1 ARG A 15 -14.592 17.722 -8.318 1.00 0.00 N ATOM 193 NH2 ARG A 15 -14.391 17.892 -10.586 1.00 0.00 N ATOM 0 H ARG A 15 -17.147 11.665 -11.658 1.00 0.00 H new ATOM 0 HA ARG A 15 -16.193 14.457 -11.273 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.968 13.540 -9.722 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.875 12.246 -9.277 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.755 13.830 -7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.261 14.016 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.687 15.829 -8.791 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -16.394 16.188 -7.664 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.021 16.014 -10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -15.004 17.283 -7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.906 18.469 -8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.647 17.586 -11.525 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.706 18.638 -10.462 1.00 0.00 H new ATOM 207 N GLY A 16 -13.837 13.798 -10.474 1.00 0.00 N ATOM 208 CA GLY A 16 -12.444 13.430 -10.228 1.00 0.00 C ATOM 209 C GLY A 16 -12.295 12.607 -8.949 1.00 0.00 C ATOM 210 O GLY A 16 -12.142 13.167 -7.860 1.00 0.00 O ATOM 0 H GLY A 16 -14.044 14.782 -10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.063 12.859 -11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.837 14.332 -10.153 1.00 0.00 H new ATOM 214 N GLN A 17 -12.400 11.269 -9.085 1.00 0.00 N ATOM 215 CA GLN A 17 -12.229 10.316 -7.963 1.00 0.00 C ATOM 216 C GLN A 17 -11.037 9.379 -8.236 1.00 0.00 C ATOM 217 O GLN A 17 -10.642 9.189 -9.393 1.00 0.00 O ATOM 218 CB GLN A 17 -13.527 9.487 -7.732 1.00 0.00 C ATOM 219 CG GLN A 17 -14.769 10.333 -7.375 1.00 0.00 C ATOM 220 CD GLN A 17 -15.959 9.486 -6.898 1.00 0.00 C ATOM 221 OE1 GLN A 17 -16.117 9.230 -5.703 1.00 0.00 O ATOM 222 NE2 GLN A 17 -16.791 9.032 -7.818 1.00 0.00 N ATOM 0 H GLN A 17 -12.606 10.816 -9.975 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.027 10.889 -7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.741 8.911 -8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.348 8.770 -6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.503 11.047 -6.595 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -15.070 10.912 -8.248 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -16.638 9.259 -8.801 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -17.587 8.455 -7.546 1.00 0.00 H new ATOM 231 N ARG A 18 -10.475 8.794 -7.155 1.00 0.00 N ATOM 232 CA ARG A 18 -9.273 7.928 -7.230 1.00 0.00 C ATOM 233 C ARG A 18 -9.271 6.851 -6.134 1.00 0.00 C ATOM 234 O ARG A 18 -10.090 6.881 -5.208 1.00 0.00 O ATOM 235 CB ARG A 18 -7.958 8.760 -7.151 1.00 0.00 C ATOM 236 CG ARG A 18 -7.778 9.689 -5.921 1.00 0.00 C ATOM 237 CD ARG A 18 -8.551 11.017 -6.044 1.00 0.00 C ATOM 238 NE ARG A 18 -8.310 11.662 -7.351 1.00 0.00 N ATOM 239 CZ ARG A 18 -8.776 12.856 -7.728 1.00 0.00 C ATOM 240 NH1 ARG A 18 -9.405 13.650 -6.868 1.00 0.00 N ATOM 241 NH2 ARG A 18 -8.584 13.263 -8.976 1.00 0.00 N ATOM 0 H ARG A 18 -10.839 8.907 -6.209 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.315 7.432 -8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.118 8.066 -7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.892 9.373 -8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.111 9.164 -5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.718 9.904 -5.789 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.618 10.832 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.249 11.691 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.738 11.151 -8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.539 13.351 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.754 14.558 -7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.085 12.666 -9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.935 14.173 -9.276 1.00 0.00 H new ATOM 255 N GLY A 19 -8.313 5.914 -6.250 1.00 0.00 N ATOM 256 CA GLY A 19 -8.164 4.801 -5.314 1.00 0.00 C ATOM 257 C GLY A 19 -8.751 3.505 -5.855 1.00 0.00 C ATOM 258 O GLY A 19 -8.855 3.325 -7.072 1.00 0.00 O ATOM 0 H GLY A 19 -7.622 5.913 -7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.107 4.654 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.653 5.053 -4.373 1.00 0.00 H new ATOM 262 N CYS A 20 -9.102 2.598 -4.936 1.00 0.00 N ATOM 263 CA CYS A 20 -9.674 1.277 -5.247 1.00 0.00 C ATOM 264 C CYS A 20 -10.382 0.755 -3.985 1.00 0.00 C ATOM 265 O CYS A 20 -10.014 1.159 -2.875 1.00 0.00 O ATOM 266 CB CYS A 20 -8.540 0.324 -5.704 1.00 0.00 C ATOM 267 SG CYS A 20 -9.055 -1.320 -6.295 1.00 0.00 S ATOM 0 H CYS A 20 -8.995 2.762 -3.935 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.400 1.340 -6.058 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.982 0.815 -6.501 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.851 0.187 -4.870 1.00 0.00 H new ATOM 272 N GLU A 21 -11.386 -0.146 -4.135 1.00 0.00 N ATOM 273 CA GLU A 21 -12.181 -0.666 -2.975 1.00 0.00 C ATOM 274 C GLU A 21 -11.314 -1.491 -1.993 1.00 0.00 C ATOM 275 O GLU A 21 -11.740 -1.772 -0.866 1.00 0.00 O ATOM 276 CB GLU A 21 -13.429 -1.493 -3.431 1.00 0.00 C ATOM 277 CG GLU A 21 -13.151 -2.907 -4.000 1.00 0.00 C ATOM 278 CD GLU A 21 -12.374 -2.896 -5.323 1.00 0.00 C ATOM 279 OE1 GLU A 21 -13.004 -2.790 -6.394 1.00 0.00 O ATOM 280 OE2 GLU A 21 -11.131 -2.967 -5.293 1.00 0.00 O ATOM 0 H GLU A 21 -11.668 -0.530 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.542 0.215 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.101 -1.594 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.960 -0.918 -4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.589 -3.482 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.100 -3.422 -4.150 1.00 0.00 H new ATOM 287 N HIS A 22 -10.108 -1.885 -2.439 1.00 0.00 N ATOM 288 CA HIS A 22 -9.101 -2.514 -1.579 1.00 0.00 C ATOM 289 C HIS A 22 -8.357 -1.438 -0.761 1.00 0.00 C ATOM 290 O HIS A 22 -8.285 -1.520 0.470 1.00 0.00 O ATOM 291 CB HIS A 22 -8.108 -3.328 -2.450 1.00 0.00 C ATOM 292 CG HIS A 22 -8.763 -4.377 -3.313 1.00 0.00 C ATOM 293 ND1 HIS A 22 -8.496 -4.479 -4.665 1.00 0.00 N ATOM 294 CD2 HIS A 22 -9.659 -5.341 -2.970 1.00 0.00 C ATOM 295 CE1 HIS A 22 -9.229 -5.491 -5.098 1.00 0.00 C ATOM 296 NE2 HIS A 22 -9.943 -6.038 -4.109 1.00 0.00 N ATOM 0 H HIS A 22 -9.808 -1.774 -3.408 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.592 -3.193 -0.882 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.554 -2.641 -3.090 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.381 -3.812 -1.797 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.067 -5.520 -1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.248 -5.833 -6.122 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.581 -6.829 -4.190 1.00 0.00 H new ATOM 304 N TYR A 23 -7.797 -0.424 -1.464 1.00 0.00 N ATOM 305 CA TYR A 23 -6.988 0.656 -0.839 1.00 0.00 C ATOM 306 C TYR A 23 -7.343 2.024 -1.438 1.00 0.00 C ATOM 307 O TYR A 23 -7.262 2.219 -2.660 1.00 0.00 O ATOM 308 CB TYR A 23 -5.463 0.397 -1.003 1.00 0.00 C ATOM 309 CG TYR A 23 -5.009 -0.925 -0.374 1.00 0.00 C ATOM 310 CD1 TYR A 23 -4.783 -1.034 1.003 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.863 -2.074 -1.151 1.00 0.00 C ATOM 312 CE1 TYR A 23 -4.427 -2.241 1.569 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.505 -3.274 -0.590 1.00 0.00 C ATOM 314 CZ TYR A 23 -4.291 -3.358 0.771 1.00 0.00 C ATOM 315 OH TYR A 23 -3.938 -4.561 1.336 1.00 0.00 O ATOM 0 H TYR A 23 -7.891 -0.330 -2.475 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.226 0.658 0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.213 0.393 -2.064 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.910 1.218 -0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.889 -0.162 1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.035 -2.018 -2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.255 -2.311 2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.391 -4.150 -1.211 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.114 -5.285 0.700 1.00 0.00 H new ATOM 325 N ASP A 24 -7.712 2.962 -0.556 1.00 0.00 N ATOM 326 CA ASP A 24 -8.019 4.354 -0.905 1.00 0.00 C ATOM 327 C ASP A 24 -6.722 5.168 -0.876 1.00 0.00 C ATOM 328 O ASP A 24 -6.267 5.602 0.190 1.00 0.00 O ATOM 329 CB ASP A 24 -9.042 4.953 0.088 1.00 0.00 C ATOM 330 CG ASP A 24 -10.457 4.382 -0.050 1.00 0.00 C ATOM 331 OD1 ASP A 24 -10.665 3.194 0.268 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.374 5.127 -0.465 1.00 0.00 O ATOM 0 H ASP A 24 -7.807 2.770 0.441 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.457 4.387 -1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.689 4.780 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.082 6.033 -0.056 1.00 0.00 H new ATOM 337 N ARG A 25 -6.119 5.333 -2.056 1.00 0.00 N ATOM 338 CA ARG A 25 -4.847 6.048 -2.232 1.00 0.00 C ATOM 339 C ARG A 25 -4.861 6.838 -3.549 1.00 0.00 C ATOM 340 O ARG A 25 -5.370 6.353 -4.568 1.00 0.00 O ATOM 341 CB ARG A 25 -3.649 5.047 -2.177 1.00 0.00 C ATOM 342 CG ARG A 25 -3.908 3.678 -2.831 1.00 0.00 C ATOM 343 CD ARG A 25 -2.676 2.757 -2.830 1.00 0.00 C ATOM 344 NE ARG A 25 -1.623 3.258 -3.735 1.00 0.00 N ATOM 345 CZ ARG A 25 -0.379 3.601 -3.385 1.00 0.00 C ATOM 346 NH1 ARG A 25 0.020 3.506 -2.127 1.00 0.00 N ATOM 347 NH2 ARG A 25 0.460 4.049 -4.313 1.00 0.00 N ATOM 0 H ARG A 25 -6.503 4.970 -2.928 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.722 6.760 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.789 5.507 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.377 4.888 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.724 3.181 -2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.237 3.831 -3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.280 2.679 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.971 1.753 -3.135 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.868 3.351 -4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.624 3.168 -1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.972 3.771 -1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.153 4.129 -5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.411 4.313 -4.056 1.00 0.00 H new ATOM 361 N GLY A 26 -4.272 8.049 -3.508 1.00 0.00 N ATOM 362 CA GLY A 26 -4.219 8.952 -4.662 1.00 0.00 C ATOM 363 C GLY A 26 -3.043 8.685 -5.591 1.00 0.00 C ATOM 364 O GLY A 26 -2.615 9.587 -6.325 1.00 0.00 O ATOM 0 H GLY A 26 -3.822 8.423 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.146 8.860 -5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.164 9.981 -4.306 1.00 0.00 H new ATOM 368 N CYS A 27 -2.538 7.434 -5.585 1.00 0.00 N ATOM 369 CA CYS A 27 -1.439 6.993 -6.451 1.00 0.00 C ATOM 370 C CYS A 27 -1.557 5.502 -6.812 1.00 0.00 C ATOM 371 O CYS A 27 -2.144 4.714 -6.069 1.00 0.00 O ATOM 372 CB CYS A 27 -0.069 7.311 -5.808 1.00 0.00 C ATOM 373 SG CYS A 27 0.450 9.021 -6.059 1.00 0.00 S ATOM 0 H CYS A 27 -2.889 6.699 -4.971 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.512 7.552 -7.384 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.120 7.106 -4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.685 6.644 -6.225 1.00 0.00 H new ATOM 0 HG CYS A 27 0.965 9.484 -4.959 1.00 0.00 H new ATOM 379 N LEU A 28 -1.035 5.154 -8.001 1.00 0.00 N ATOM 380 CA LEU A 28 -0.888 3.766 -8.467 1.00 0.00 C ATOM 381 C LEU A 28 0.583 3.345 -8.302 1.00 0.00 C ATOM 382 O LEU A 28 1.469 4.088 -8.713 1.00 0.00 O ATOM 383 CB LEU A 28 -1.267 3.649 -9.965 1.00 0.00 C ATOM 384 CG LEU A 28 -2.665 4.190 -10.405 1.00 0.00 C ATOM 385 CD1 LEU A 28 -2.837 4.127 -11.936 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.812 3.453 -9.713 1.00 0.00 C ATOM 0 H LEU A 28 -0.698 5.841 -8.675 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.547 3.125 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.507 4.173 -10.545 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.212 2.597 -10.244 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.705 5.234 -10.094 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.820 4.511 -12.208 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.067 4.732 -12.414 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.746 3.093 -12.270 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.764 3.863 -10.050 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.766 2.393 -9.961 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.725 3.577 -8.634 1.00 0.00 H new ATOM 398 N LEU A 29 0.821 2.163 -7.730 1.00 0.00 N ATOM 399 CA LEU A 29 2.180 1.592 -7.551 1.00 0.00 C ATOM 400 C LEU A 29 2.835 1.302 -8.921 1.00 0.00 C ATOM 401 O LEU A 29 2.291 0.518 -9.714 1.00 0.00 O ATOM 402 CB LEU A 29 2.098 0.278 -6.717 1.00 0.00 C ATOM 403 CG LEU A 29 1.516 0.409 -5.272 1.00 0.00 C ATOM 404 CD1 LEU A 29 1.355 -0.978 -4.600 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.377 1.354 -4.394 1.00 0.00 C ATOM 0 H LEU A 29 0.079 1.562 -7.372 1.00 0.00 H new ATOM 0 HA LEU A 29 2.793 2.320 -7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.489 -0.439 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.100 -0.144 -6.645 1.00 0.00 H new ATOM 0 HG LEU A 29 0.525 0.854 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.948 -0.851 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.676 -1.592 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.327 -1.467 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.942 1.421 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.391 0.961 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.404 2.346 -4.845 1.00 0.00 H new ATOM 417 N LYS A 30 3.977 1.966 -9.207 1.00 0.00 N ATOM 418 CA LYS A 30 4.766 1.699 -10.425 1.00 0.00 C ATOM 419 C LYS A 30 5.495 0.362 -10.272 1.00 0.00 C ATOM 420 O LYS A 30 6.521 0.284 -9.588 1.00 0.00 O ATOM 421 CB LYS A 30 5.794 2.830 -10.709 1.00 0.00 C ATOM 422 CG LYS A 30 6.651 2.627 -11.990 1.00 0.00 C ATOM 423 CD LYS A 30 5.960 3.104 -13.281 1.00 0.00 C ATOM 424 CE LYS A 30 6.791 2.768 -14.530 1.00 0.00 C ATOM 425 NZ LYS A 30 6.193 3.301 -15.786 1.00 0.00 N ATOM 0 H LYS A 30 4.371 2.691 -8.608 1.00 0.00 H new ATOM 0 HA LYS A 30 4.079 1.659 -11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.258 3.775 -10.794 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.462 2.918 -9.852 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.593 3.162 -11.874 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.895 1.569 -12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.978 2.638 -13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.799 4.181 -13.231 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.796 3.174 -14.411 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.892 1.686 -14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.949 3.511 -16.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.548 2.593 -16.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.664 4.171 -15.576 1.00 0.00 H new ATOM 439 N ALA A 31 4.924 -0.685 -10.881 1.00 0.00 N ATOM 440 CA ALA A 31 5.522 -2.018 -10.923 1.00 0.00 C ATOM 441 C ALA A 31 6.716 -2.002 -11.889 1.00 0.00 C ATOM 442 O ALA A 31 6.503 -1.918 -13.100 1.00 0.00 O ATOM 443 CB ALA A 31 4.476 -3.058 -11.375 1.00 0.00 C ATOM 0 H ALA A 31 4.026 -0.626 -11.361 1.00 0.00 H new ATOM 0 HA ALA A 31 5.867 -2.295 -9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.934 -4.047 -11.402 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.642 -3.064 -10.673 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.112 -2.799 -12.369 1.00 0.00 H new ATOM 449 N PRO A 32 7.995 -2.078 -11.388 1.00 0.00 N ATOM 450 CA PRO A 32 9.195 -2.027 -12.263 1.00 0.00 C ATOM 451 C PRO A 32 9.370 -3.332 -13.070 1.00 0.00 C ATOM 452 O PRO A 32 10.179 -3.398 -13.998 1.00 0.00 O ATOM 453 CB PRO A 32 10.348 -1.804 -11.248 1.00 0.00 C ATOM 454 CG PRO A 32 9.874 -2.472 -9.990 1.00 0.00 C ATOM 455 CD PRO A 32 8.374 -2.248 -9.948 1.00 0.00 C ATOM 0 HA PRO A 32 9.144 -1.249 -13.025 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.280 -2.243 -11.603 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.536 -0.742 -11.087 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.111 -3.536 -9.998 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.359 -2.044 -9.113 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.856 -3.094 -9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.118 -1.366 -9.361 1.00 0.00 H new ATOM 463 N CYS A 33 8.592 -4.363 -12.685 1.00 0.00 N ATOM 464 CA CYS A 33 8.621 -5.685 -13.310 1.00 0.00 C ATOM 465 C CYS A 33 7.860 -5.696 -14.658 1.00 0.00 C ATOM 466 O CYS A 33 8.236 -6.426 -15.582 1.00 0.00 O ATOM 467 CB CYS A 33 8.022 -6.720 -12.331 1.00 0.00 C ATOM 468 SG CYS A 33 6.263 -6.456 -11.916 1.00 0.00 S ATOM 0 H CYS A 33 7.920 -4.292 -11.921 1.00 0.00 H new ATOM 0 HA CYS A 33 9.656 -5.946 -13.529 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.133 -7.714 -12.763 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.604 -6.706 -11.409 1.00 0.00 H new ATOM 473 N CYS A 34 6.791 -4.873 -14.771 1.00 0.00 N ATOM 474 CA CYS A 34 5.934 -4.822 -15.992 1.00 0.00 C ATOM 475 C CYS A 34 5.714 -3.372 -16.493 1.00 0.00 C ATOM 476 O CYS A 34 4.953 -3.168 -17.444 1.00 0.00 O ATOM 477 CB CYS A 34 4.572 -5.522 -15.716 1.00 0.00 C ATOM 478 SG CYS A 34 4.711 -7.301 -15.327 1.00 0.00 S ATOM 0 H CYS A 34 6.497 -4.233 -14.034 1.00 0.00 H new ATOM 0 HA CYS A 34 6.457 -5.355 -16.786 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.078 -5.017 -14.886 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.931 -5.401 -16.589 1.00 0.00 H new ATOM 483 N ASP A 35 6.368 -2.379 -15.825 1.00 0.00 N ATOM 484 CA ASP A 35 6.297 -0.916 -16.167 1.00 0.00 C ATOM 485 C ASP A 35 4.873 -0.315 -15.948 1.00 0.00 C ATOM 486 O ASP A 35 4.644 0.884 -16.158 1.00 0.00 O ATOM 487 CB ASP A 35 6.813 -0.671 -17.626 1.00 0.00 C ATOM 488 CG ASP A 35 6.996 0.817 -17.995 1.00 0.00 C ATOM 489 OD1 ASP A 35 7.988 1.429 -17.547 1.00 0.00 O ATOM 490 OD2 ASP A 35 6.155 1.384 -18.724 1.00 0.00 O ATOM 0 H ASP A 35 6.969 -2.568 -15.023 1.00 0.00 H new ATOM 0 HA ASP A 35 6.954 -0.387 -15.476 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.766 -1.184 -17.752 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.112 -1.123 -18.327 1.00 0.00 H new ATOM 495 N LYS A 36 3.936 -1.141 -15.468 1.00 0.00 N ATOM 496 CA LYS A 36 2.521 -0.771 -15.338 1.00 0.00 C ATOM 497 C LYS A 36 2.193 -0.237 -13.941 1.00 0.00 C ATOM 498 O LYS A 36 2.932 -0.446 -12.978 1.00 0.00 O ATOM 499 CB LYS A 36 1.618 -1.969 -15.703 1.00 0.00 C ATOM 500 CG LYS A 36 1.509 -2.245 -17.213 1.00 0.00 C ATOM 501 CD LYS A 36 0.445 -3.316 -17.536 1.00 0.00 C ATOM 502 CE LYS A 36 0.054 -3.314 -19.018 1.00 0.00 C ATOM 503 NZ LYS A 36 -0.999 -4.316 -19.316 1.00 0.00 N ATOM 0 H LYS A 36 4.139 -2.091 -15.157 1.00 0.00 H new ATOM 0 HA LYS A 36 2.324 0.040 -16.039 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.002 -2.862 -15.209 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.619 -1.790 -15.306 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.260 -1.320 -17.732 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.477 -2.572 -17.591 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.828 -4.300 -17.264 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.442 -3.140 -16.928 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.300 -2.322 -19.298 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.935 -3.522 -19.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.234 -4.282 -20.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.653 -5.266 -19.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.849 -4.103 -18.756 1.00 0.00 H new ATOM 517 N LEU A 37 1.055 0.457 -13.876 1.00 0.00 N ATOM 518 CA LEU A 37 0.609 1.214 -12.700 1.00 0.00 C ATOM 519 C LEU A 37 -0.651 0.544 -12.105 1.00 0.00 C ATOM 520 O LEU A 37 -1.671 0.433 -12.798 1.00 0.00 O ATOM 521 CB LEU A 37 0.299 2.687 -13.114 1.00 0.00 C ATOM 522 CG LEU A 37 1.502 3.629 -13.482 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.519 3.727 -12.329 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.188 3.245 -14.813 1.00 0.00 C ATOM 0 H LEU A 37 0.401 0.511 -14.657 1.00 0.00 H new ATOM 0 HA LEU A 37 1.395 1.220 -11.945 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.373 2.656 -13.972 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.250 3.153 -12.296 1.00 0.00 H new ATOM 0 HG LEU A 37 1.074 4.620 -13.636 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.337 4.387 -12.620 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.027 4.128 -11.443 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.914 2.736 -12.107 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.010 3.933 -15.010 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.575 2.228 -14.743 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.464 3.302 -15.625 1.00 0.00 H new ATOM 536 N TYR A 38 -0.574 0.097 -10.831 1.00 0.00 N ATOM 537 CA TYR A 38 -1.695 -0.584 -10.127 1.00 0.00 C ATOM 538 C TYR A 38 -1.835 -0.055 -8.695 1.00 0.00 C ATOM 539 O TYR A 38 -0.852 -0.034 -7.966 1.00 0.00 O ATOM 540 CB TYR A 38 -1.465 -2.119 -10.069 1.00 0.00 C ATOM 541 CG TYR A 38 -1.464 -2.822 -11.430 1.00 0.00 C ATOM 542 CD1 TYR A 38 -2.658 -3.245 -12.023 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.273 -3.071 -12.118 1.00 0.00 C ATOM 544 CE1 TYR A 38 -2.658 -3.901 -13.239 1.00 0.00 C ATOM 545 CE2 TYR A 38 -0.277 -3.721 -13.332 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.470 -4.132 -13.890 1.00 0.00 C ATOM 547 OH TYR A 38 -1.467 -4.786 -15.102 1.00 0.00 O ATOM 0 H TYR A 38 0.264 0.196 -10.259 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.606 -0.375 -10.688 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.512 -2.311 -9.577 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.241 -2.565 -9.446 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.596 -3.056 -11.522 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.665 -2.749 -11.691 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.589 -4.231 -13.676 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.653 -3.909 -13.847 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.699 -5.394 -15.144 1.00 0.00 H new ATOM 557 N THR A 39 -3.071 0.329 -8.294 1.00 0.00 N ATOM 558 CA THR A 39 -3.376 0.844 -6.936 1.00 0.00 C ATOM 559 C THR A 39 -2.898 -0.145 -5.846 1.00 0.00 C ATOM 560 O THR A 39 -2.257 0.234 -4.858 1.00 0.00 O ATOM 561 CB THR A 39 -4.924 1.078 -6.755 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.506 1.596 -7.958 1.00 0.00 O ATOM 563 CG2 THR A 39 -5.240 2.028 -5.599 1.00 0.00 C ATOM 0 H THR A 39 -3.887 0.290 -8.905 1.00 0.00 H new ATOM 0 HA THR A 39 -2.847 1.791 -6.828 1.00 0.00 H new ATOM 0 HB THR A 39 -5.355 0.104 -6.524 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.467 1.732 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.319 2.155 -5.517 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.852 1.611 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.774 2.995 -5.785 1.00 0.00 H new ATOM 571 N CYS A 40 -3.212 -1.426 -6.072 1.00 0.00 N ATOM 572 CA CYS A 40 -2.878 -2.523 -5.156 1.00 0.00 C ATOM 573 C CYS A 40 -1.925 -3.492 -5.874 1.00 0.00 C ATOM 574 O CYS A 40 -2.060 -3.691 -7.089 1.00 0.00 O ATOM 575 CB CYS A 40 -4.175 -3.263 -4.747 1.00 0.00 C ATOM 576 SG CYS A 40 -5.666 -2.229 -4.703 1.00 0.00 S ATOM 0 H CYS A 40 -3.711 -1.734 -6.906 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.396 -2.132 -4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.341 -4.085 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.028 -3.705 -3.761 1.00 0.00 H new ATOM 581 N ARG A 41 -0.993 -4.113 -5.122 1.00 0.00 N ATOM 582 CA ARG A 41 -0.084 -5.142 -5.681 1.00 0.00 C ATOM 583 C ARG A 41 -0.877 -6.385 -6.157 1.00 0.00 C ATOM 584 O ARG A 41 -0.550 -7.003 -7.172 1.00 0.00 O ATOM 585 CB ARG A 41 1.036 -5.548 -4.664 1.00 0.00 C ATOM 586 CG ARG A 41 0.620 -6.481 -3.498 1.00 0.00 C ATOM 587 CD ARG A 41 -0.276 -5.804 -2.450 1.00 0.00 C ATOM 588 NE ARG A 41 -0.816 -6.783 -1.503 1.00 0.00 N ATOM 589 CZ ARG A 41 -1.486 -6.496 -0.388 1.00 0.00 C ATOM 590 NH1 ARG A 41 -1.586 -5.250 0.056 1.00 0.00 N ATOM 591 NH2 ARG A 41 -2.034 -7.477 0.304 1.00 0.00 N ATOM 0 H ARG A 41 -0.848 -3.923 -4.130 1.00 0.00 H new ATOM 0 HA ARG A 41 0.409 -4.700 -6.547 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.838 -6.035 -5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.453 -4.636 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.096 -7.345 -3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.518 -6.855 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.297 -5.050 -1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.095 -5.286 -2.948 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.666 -7.769 -1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.145 -4.488 -0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.104 -5.054 0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.942 -8.441 -0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.550 -7.271 1.160 1.00 0.00 H new ATOM 605 N LEU A 42 -1.948 -6.703 -5.406 1.00 0.00 N ATOM 606 CA LEU A 42 -2.869 -7.809 -5.708 1.00 0.00 C ATOM 607 C LEU A 42 -3.710 -7.520 -6.971 1.00 0.00 C ATOM 608 O LEU A 42 -4.152 -8.447 -7.636 1.00 0.00 O ATOM 609 CB LEU A 42 -3.757 -8.095 -4.455 1.00 0.00 C ATOM 610 CG LEU A 42 -4.500 -6.858 -3.813 1.00 0.00 C ATOM 611 CD1 LEU A 42 -5.853 -6.554 -4.490 1.00 0.00 C ATOM 612 CD2 LEU A 42 -4.675 -7.020 -2.287 1.00 0.00 C ATOM 0 H LEU A 42 -2.199 -6.190 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.292 -8.706 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.507 -8.836 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.128 -8.549 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.854 -5.998 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.317 -5.694 -4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.690 -6.333 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.509 -7.420 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.190 -6.148 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.262 -7.915 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.696 -7.112 -1.816 1.00 0.00 H new ATOM 624 N CYS A 43 -3.911 -6.218 -7.288 1.00 0.00 N ATOM 625 CA CYS A 43 -4.632 -5.786 -8.513 1.00 0.00 C ATOM 626 C CYS A 43 -3.772 -6.021 -9.780 1.00 0.00 C ATOM 627 O CYS A 43 -4.310 -6.144 -10.880 1.00 0.00 O ATOM 628 CB CYS A 43 -5.152 -4.318 -8.384 1.00 0.00 C ATOM 629 SG CYS A 43 -6.915 -4.211 -7.871 1.00 0.00 S ATOM 0 H CYS A 43 -3.583 -5.444 -6.710 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.519 -6.409 -8.625 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.537 -3.785 -7.659 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.028 -3.811 -9.341 1.00 0.00 H new ATOM 634 N HIS A 44 -2.433 -6.081 -9.611 1.00 0.00 N ATOM 635 CA HIS A 44 -1.511 -6.574 -10.667 1.00 0.00 C ATOM 636 C HIS A 44 -1.670 -8.088 -10.793 1.00 0.00 C ATOM 637 O HIS A 44 -1.937 -8.601 -11.870 1.00 0.00 O ATOM 638 CB HIS A 44 -0.033 -6.200 -10.330 1.00 0.00 C ATOM 639 CG HIS A 44 1.071 -6.975 -11.057 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.224 -8.338 -10.939 1.00 0.00 N ATOM 641 CD2 HIS A 44 2.107 -6.569 -11.871 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.271 -8.705 -11.644 1.00 0.00 C ATOM 643 NE2 HIS A 44 2.854 -7.703 -12.230 1.00 0.00 N ATOM 0 H HIS A 44 -1.962 -5.794 -8.753 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.761 -6.101 -11.617 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.103 -5.140 -10.542 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.112 -6.332 -9.258 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.625 -8.959 -10.395 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.309 -5.554 -12.179 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.609 -9.727 -11.727 1.00 0.00 H new ATOM 651 N ASP A 45 -1.497 -8.777 -9.648 1.00 0.00 N ATOM 652 CA ASP A 45 -1.479 -10.256 -9.545 1.00 0.00 C ATOM 653 C ASP A 45 -2.823 -10.891 -9.984 1.00 0.00 C ATOM 654 O ASP A 45 -2.882 -12.073 -10.325 1.00 0.00 O ATOM 655 CB ASP A 45 -1.117 -10.627 -8.079 1.00 0.00 C ATOM 656 CG ASP A 45 -1.070 -12.142 -7.798 1.00 0.00 C ATOM 657 OD1 ASP A 45 -0.108 -12.808 -8.225 1.00 0.00 O ATOM 658 OD2 ASP A 45 -1.999 -12.667 -7.143 1.00 0.00 O ATOM 0 H ASP A 45 -1.363 -8.315 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.731 -10.660 -10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.146 -10.195 -7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.846 -10.168 -7.411 1.00 0.00 H new ATOM 663 N ASN A 46 -3.888 -10.076 -9.964 1.00 0.00 N ATOM 664 CA ASN A 46 -5.242 -10.468 -10.405 1.00 0.00 C ATOM 665 C ASN A 46 -5.314 -10.631 -11.939 1.00 0.00 C ATOM 666 O ASN A 46 -6.000 -11.525 -12.444 1.00 0.00 O ATOM 667 CB ASN A 46 -6.257 -9.393 -9.926 1.00 0.00 C ATOM 668 CG ASN A 46 -7.731 -9.691 -10.239 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.513 -8.769 -10.478 1.00 0.00 O ATOM 670 ND2 ASN A 46 -8.143 -10.955 -10.192 1.00 0.00 N ATOM 0 H ASN A 46 -3.836 -9.111 -9.637 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.488 -11.435 -9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.150 -9.271 -8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.992 -8.439 -10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.125 -11.178 -10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.477 -11.701 -9.992 1.00 0.00 H new ATOM 677 N ASN A 47 -4.595 -9.752 -12.665 1.00 0.00 N ATOM 678 CA ASN A 47 -4.611 -9.715 -14.144 1.00 0.00 C ATOM 679 C ASN A 47 -3.453 -10.535 -14.722 1.00 0.00 C ATOM 680 O ASN A 47 -3.619 -11.252 -15.716 1.00 0.00 O ATOM 681 CB ASN A 47 -4.521 -8.246 -14.646 1.00 0.00 C ATOM 682 CG ASN A 47 -5.782 -7.435 -14.333 1.00 0.00 C ATOM 683 OD1 ASN A 47 -6.692 -7.338 -15.153 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.857 -6.859 -13.150 1.00 0.00 N ATOM 0 H ASN A 47 -3.987 -9.048 -12.245 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.549 -10.153 -14.485 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.659 -7.762 -14.186 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -4.351 -8.244 -15.723 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.684 -6.318 -12.898 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.088 -6.954 -12.487 1.00 0.00 H new ATOM 691 N GLU A 48 -2.282 -10.431 -14.072 1.00 0.00 N ATOM 692 CA GLU A 48 -1.012 -10.961 -14.592 1.00 0.00 C ATOM 693 C GLU A 48 -0.634 -12.274 -13.897 1.00 0.00 C ATOM 694 O GLU A 48 -1.195 -12.625 -12.852 1.00 0.00 O ATOM 695 CB GLU A 48 0.110 -9.899 -14.438 1.00 0.00 C ATOM 696 CG GLU A 48 -0.222 -8.539 -15.106 1.00 0.00 C ATOM 697 CD GLU A 48 1.011 -7.649 -15.343 1.00 0.00 C ATOM 698 OE1 GLU A 48 1.943 -8.099 -16.044 1.00 0.00 O ATOM 699 OE2 GLU A 48 1.058 -6.504 -14.845 1.00 0.00 O ATOM 0 H GLU A 48 -2.190 -9.974 -13.165 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.136 -11.181 -15.652 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.300 -9.736 -13.377 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.031 -10.291 -14.870 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.715 -8.724 -16.061 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.933 -8.000 -14.479 1.00 0.00 H new ATOM 706 N ASP A 49 0.344 -12.974 -14.494 1.00 0.00 N ATOM 707 CA ASP A 49 0.735 -14.342 -14.106 1.00 0.00 C ATOM 708 C ASP A 49 1.413 -14.398 -12.725 1.00 0.00 C ATOM 709 O ASP A 49 1.271 -15.390 -12.008 1.00 0.00 O ATOM 710 CB ASP A 49 1.686 -14.942 -15.179 1.00 0.00 C ATOM 711 CG ASP A 49 3.078 -14.271 -15.219 1.00 0.00 C ATOM 712 OD1 ASP A 49 3.151 -13.049 -15.482 1.00 0.00 O ATOM 713 OD2 ASP A 49 4.097 -14.955 -14.971 1.00 0.00 O ATOM 0 H ASP A 49 0.893 -12.603 -15.269 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.181 -14.930 -14.040 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.811 -16.007 -14.986 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.219 -14.848 -16.159 1.00 0.00 H new ATOM 718 N HIS A 50 2.146 -13.329 -12.365 1.00 0.00 N ATOM 719 CA HIS A 50 3.015 -13.322 -11.167 1.00 0.00 C ATOM 720 C HIS A 50 2.633 -12.171 -10.211 1.00 0.00 C ATOM 721 O HIS A 50 1.674 -11.432 -10.464 1.00 0.00 O ATOM 722 CB HIS A 50 4.523 -13.268 -11.592 1.00 0.00 C ATOM 723 CG HIS A 50 5.076 -11.911 -11.987 1.00 0.00 C ATOM 724 ND1 HIS A 50 6.230 -11.390 -11.456 1.00 0.00 N ATOM 725 CD2 HIS A 50 4.606 -10.958 -12.842 1.00 0.00 C ATOM 726 CE1 HIS A 50 6.418 -10.175 -11.973 1.00 0.00 C ATOM 727 NE2 HIS A 50 5.458 -9.839 -12.822 1.00 0.00 N ATOM 0 H HIS A 50 2.156 -12.453 -12.888 1.00 0.00 H new ATOM 0 HA HIS A 50 2.863 -14.249 -10.615 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.122 -13.651 -10.766 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.664 -13.949 -12.431 1.00 0.00 H new ATOM 0 HD1 HIS A 50 6.839 -11.853 -10.782 1.00 0.00 H new ATOM 0 HD2 HIS A 50 3.714 -11.049 -13.444 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.256 -9.539 -11.728 1.00 0.00 H new ATOM 735 N GLN A 51 3.390 -12.047 -9.109 1.00 0.00 N ATOM 736 CA GLN A 51 3.172 -11.027 -8.063 1.00 0.00 C ATOM 737 C GLN A 51 3.767 -9.652 -8.463 1.00 0.00 C ATOM 738 O GLN A 51 4.749 -9.578 -9.216 1.00 0.00 O ATOM 739 CB GLN A 51 3.804 -11.486 -6.715 1.00 0.00 C ATOM 740 CG GLN A 51 5.339 -11.634 -6.749 1.00 0.00 C ATOM 741 CD GLN A 51 5.952 -11.984 -5.388 1.00 0.00 C ATOM 742 OE1 GLN A 51 6.087 -13.159 -5.034 1.00 0.00 O ATOM 743 NE2 GLN A 51 6.333 -10.967 -4.620 1.00 0.00 N ATOM 0 H GLN A 51 4.182 -12.659 -8.914 1.00 0.00 H new ATOM 0 HA GLN A 51 2.094 -10.914 -7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.537 -10.768 -5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.365 -12.442 -6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.605 -12.409 -7.468 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.778 -10.703 -7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.207 -10.008 -4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.752 -11.146 -3.707 1.00 0.00 H new ATOM 752 N LEU A 52 3.119 -8.570 -8.003 1.00 0.00 N ATOM 753 CA LEU A 52 3.745 -7.237 -7.940 1.00 0.00 C ATOM 754 C LEU A 52 4.527 -7.186 -6.623 1.00 0.00 C ATOM 755 O LEU A 52 3.962 -7.455 -5.547 1.00 0.00 O ATOM 756 CB LEU A 52 2.671 -6.104 -8.013 1.00 0.00 C ATOM 757 CG LEU A 52 3.147 -4.600 -8.155 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.019 -3.681 -8.684 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.679 -4.021 -6.834 1.00 0.00 C ATOM 0 H LEU A 52 2.156 -8.592 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 52 4.409 -7.076 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.019 -6.323 -8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.060 -6.172 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 52 3.961 -4.625 -8.879 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.390 -2.659 -8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.696 -4.029 -9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.175 -3.707 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.991 -2.988 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.893 -4.053 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.531 -4.611 -6.495 1.00 0.00 H new ATOM 771 N ASP A 53 5.819 -6.868 -6.719 1.00 0.00 N ATOM 772 CA ASP A 53 6.696 -6.700 -5.557 1.00 0.00 C ATOM 773 C ASP A 53 6.397 -5.333 -4.909 1.00 0.00 C ATOM 774 O ASP A 53 6.961 -4.303 -5.312 1.00 0.00 O ATOM 775 CB ASP A 53 8.178 -6.807 -5.987 1.00 0.00 C ATOM 776 CG ASP A 53 8.464 -8.051 -6.842 1.00 0.00 C ATOM 777 OD1 ASP A 53 8.771 -9.125 -6.278 1.00 0.00 O ATOM 778 OD2 ASP A 53 8.357 -7.956 -8.089 1.00 0.00 O ATOM 0 H ASP A 53 6.290 -6.719 -7.611 1.00 0.00 H new ATOM 0 HA ASP A 53 6.510 -7.488 -4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.453 -5.915 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.808 -6.831 -5.098 1.00 0.00 H new ATOM 783 N ARG A 54 5.443 -5.338 -3.948 1.00 0.00 N ATOM 784 CA ARG A 54 4.910 -4.113 -3.301 1.00 0.00 C ATOM 785 C ARG A 54 6.001 -3.317 -2.579 1.00 0.00 C ATOM 786 O ARG A 54 5.870 -2.116 -2.396 1.00 0.00 O ATOM 787 CB ARG A 54 3.756 -4.465 -2.318 1.00 0.00 C ATOM 788 CG ARG A 54 4.155 -5.333 -1.097 1.00 0.00 C ATOM 789 CD ARG A 54 2.937 -5.747 -0.239 1.00 0.00 C ATOM 790 NE ARG A 54 3.297 -6.612 0.903 1.00 0.00 N ATOM 791 CZ ARG A 54 3.604 -7.925 0.828 1.00 0.00 C ATOM 792 NH1 ARG A 54 3.732 -8.539 -0.343 1.00 0.00 N ATOM 793 NH2 ARG A 54 3.807 -8.617 1.938 1.00 0.00 N ATOM 0 H ARG A 54 5.018 -6.196 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 54 4.517 -3.479 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.318 -3.536 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.977 -4.988 -2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.671 -6.228 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.860 -4.779 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.442 -4.850 0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.217 -6.269 -0.869 1.00 0.00 H new ATOM 0 HE ARG A 54 3.315 -6.181 1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.598 -8.018 -1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.964 -9.532 -0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.731 -8.158 2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.039 -9.609 1.885 1.00 0.00 H new ATOM 807 N PHE A 55 7.069 -4.016 -2.179 1.00 0.00 N ATOM 808 CA PHE A 55 8.225 -3.416 -1.505 1.00 0.00 C ATOM 809 C PHE A 55 9.149 -2.710 -2.520 1.00 0.00 C ATOM 810 O PHE A 55 9.694 -1.637 -2.245 1.00 0.00 O ATOM 811 CB PHE A 55 9.007 -4.515 -0.738 1.00 0.00 C ATOM 812 CG PHE A 55 8.165 -5.271 0.297 1.00 0.00 C ATOM 813 CD1 PHE A 55 7.638 -4.609 1.410 1.00 0.00 C ATOM 814 CD2 PHE A 55 7.888 -6.634 0.152 1.00 0.00 C ATOM 815 CE1 PHE A 55 6.877 -5.286 2.346 1.00 0.00 C ATOM 816 CE2 PHE A 55 7.129 -7.308 1.091 1.00 0.00 C ATOM 817 CZ PHE A 55 6.620 -6.633 2.185 1.00 0.00 C ATOM 0 H PHE A 55 7.156 -5.023 -2.315 1.00 0.00 H new ATOM 0 HA PHE A 55 7.868 -2.667 -0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.409 -5.229 -1.457 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.858 -4.057 -0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.828 -3.554 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.272 -7.167 -0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.484 -4.760 3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.934 -8.363 0.970 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.021 -7.159 2.914 1.00 0.00 H new ATOM 827 N LYS A 56 9.282 -3.322 -3.709 1.00 0.00 N ATOM 828 CA LYS A 56 10.302 -2.952 -4.711 1.00 0.00 C ATOM 829 C LYS A 56 9.803 -1.888 -5.709 1.00 0.00 C ATOM 830 O LYS A 56 10.537 -1.541 -6.639 1.00 0.00 O ATOM 831 CB LYS A 56 10.765 -4.228 -5.462 1.00 0.00 C ATOM 832 CG LYS A 56 11.342 -5.340 -4.545 1.00 0.00 C ATOM 833 CD LYS A 56 12.670 -4.942 -3.847 1.00 0.00 C ATOM 834 CE LYS A 56 13.832 -4.735 -4.843 1.00 0.00 C ATOM 835 NZ LYS A 56 14.135 -5.967 -5.622 1.00 0.00 N ATOM 0 H LYS A 56 8.682 -4.092 -4.006 1.00 0.00 H new ATOM 0 HA LYS A 56 11.141 -2.503 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.920 -4.635 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.523 -3.949 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.603 -5.592 -3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.508 -6.239 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.516 -4.024 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.945 -5.717 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.580 -3.927 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.723 -4.424 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.003 -5.823 -6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.269 -6.766 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.344 -6.174 -6.265 1.00 0.00 H new ATOM 849 N VAL A 57 8.558 -1.395 -5.543 1.00 0.00 N ATOM 850 CA VAL A 57 8.076 -0.226 -6.304 1.00 0.00 C ATOM 851 C VAL A 57 8.861 1.040 -5.882 1.00 0.00 C ATOM 852 O VAL A 57 8.857 1.434 -4.714 1.00 0.00 O ATOM 853 CB VAL A 57 6.516 -0.016 -6.161 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.760 -1.185 -6.815 1.00 0.00 C ATOM 855 CG2 VAL A 57 6.074 0.161 -4.688 1.00 0.00 C ATOM 0 H VAL A 57 7.874 -1.785 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 57 8.261 -0.417 -7.361 1.00 0.00 H new ATOM 0 HB VAL A 57 6.266 0.910 -6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.686 -1.028 -6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.017 -1.238 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.040 -2.118 -6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.994 0.302 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.346 -0.727 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.570 1.033 -4.262 1.00 0.00 H new ATOM 865 N LYS A 58 9.607 1.615 -6.832 1.00 0.00 N ATOM 866 CA LYS A 58 10.415 2.824 -6.591 1.00 0.00 C ATOM 867 C LYS A 58 9.545 4.077 -6.706 1.00 0.00 C ATOM 868 O LYS A 58 9.695 5.040 -5.937 1.00 0.00 O ATOM 869 CB LYS A 58 11.584 2.892 -7.608 1.00 0.00 C ATOM 870 CG LYS A 58 12.541 4.102 -7.432 1.00 0.00 C ATOM 871 CD LYS A 58 13.300 4.090 -6.077 1.00 0.00 C ATOM 872 CE LYS A 58 14.248 2.889 -5.934 1.00 0.00 C ATOM 873 NZ LYS A 58 15.278 2.855 -7.003 1.00 0.00 N ATOM 0 H LYS A 58 9.670 1.260 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 58 10.825 2.776 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.166 1.974 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.168 2.921 -8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.265 4.106 -8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.967 5.025 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.873 5.012 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.577 4.075 -5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.738 2.929 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.669 1.966 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.983 2.123 -6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.826 2.637 -7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.748 3.781 -7.062 1.00 0.00 H new ATOM 887 N GLU A 59 8.632 4.045 -7.686 1.00 0.00 N ATOM 888 CA GLU A 59 7.789 5.189 -8.054 1.00 0.00 C ATOM 889 C GLU A 59 6.309 4.842 -7.955 1.00 0.00 C ATOM 890 O GLU A 59 5.931 3.723 -7.580 1.00 0.00 O ATOM 891 CB GLU A 59 8.160 5.675 -9.487 1.00 0.00 C ATOM 892 CG GLU A 59 9.549 6.319 -9.563 1.00 0.00 C ATOM 893 CD GLU A 59 9.983 6.691 -10.987 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.178 5.767 -11.808 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.163 7.895 -11.283 1.00 0.00 O ATOM 0 H GLU A 59 8.457 3.214 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 59 7.975 6.000 -7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.121 4.829 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.414 6.394 -9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.557 7.217 -8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.281 5.632 -9.138 1.00 0.00 H new ATOM 902 N VAL A 60 5.493 5.840 -8.297 1.00 0.00 N ATOM 903 CA VAL A 60 4.028 5.790 -8.340 1.00 0.00 C ATOM 904 C VAL A 60 3.558 6.853 -9.358 1.00 0.00 C ATOM 905 O VAL A 60 4.328 7.763 -9.700 1.00 0.00 O ATOM 906 CB VAL A 60 3.361 6.089 -6.924 1.00 0.00 C ATOM 907 CG1 VAL A 60 3.475 4.900 -5.940 1.00 0.00 C ATOM 908 CG2 VAL A 60 3.954 7.367 -6.289 1.00 0.00 C ATOM 0 H VAL A 60 5.854 6.755 -8.566 1.00 0.00 H new ATOM 0 HA VAL A 60 3.722 4.784 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 60 2.299 6.245 -7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.003 5.164 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.976 4.028 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.526 4.669 -5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.481 7.547 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.027 7.239 -6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.773 8.218 -6.946 1.00 0.00 H new ATOM 918 N GLN A 61 2.314 6.755 -9.855 1.00 0.00 N ATOM 919 CA GLN A 61 1.697 7.860 -10.626 1.00 0.00 C ATOM 920 C GLN A 61 0.563 8.458 -9.800 1.00 0.00 C ATOM 921 O GLN A 61 -0.113 7.747 -9.071 1.00 0.00 O ATOM 922 CB GLN A 61 1.210 7.401 -12.037 1.00 0.00 C ATOM 923 CG GLN A 61 -0.074 6.549 -12.109 1.00 0.00 C ATOM 924 CD GLN A 61 -1.375 7.346 -12.297 1.00 0.00 C ATOM 925 OE1 GLN A 61 -2.079 7.649 -11.344 1.00 0.00 O ATOM 926 NE2 GLN A 61 -1.669 7.726 -13.527 1.00 0.00 N ATOM 0 H GLN A 61 1.718 5.935 -9.742 1.00 0.00 H new ATOM 0 HA GLN A 61 2.451 8.624 -10.813 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.056 8.292 -12.645 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.016 6.833 -12.502 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.023 5.842 -12.933 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.154 5.963 -11.194 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.063 7.458 -14.302 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.502 8.288 -13.702 1.00 0.00 H new ATOM 935 N CYS A 62 0.366 9.760 -9.928 1.00 0.00 N ATOM 936 CA CYS A 62 -0.666 10.513 -9.195 1.00 0.00 C ATOM 937 C CYS A 62 -1.989 10.426 -9.955 1.00 0.00 C ATOM 938 O CYS A 62 -2.049 10.873 -11.093 1.00 0.00 O ATOM 939 CB CYS A 62 -0.185 11.964 -9.086 1.00 0.00 C ATOM 940 SG CYS A 62 -1.344 13.177 -8.388 1.00 0.00 S ATOM 0 H CYS A 62 0.923 10.343 -10.553 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.827 10.104 -8.197 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.720 11.974 -8.479 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.096 12.302 -10.083 1.00 0.00 H new ATOM 945 N ILE A 63 -3.043 9.839 -9.338 1.00 0.00 N ATOM 946 CA ILE A 63 -4.359 9.644 -10.004 1.00 0.00 C ATOM 947 C ILE A 63 -5.168 10.968 -9.908 1.00 0.00 C ATOM 948 O ILE A 63 -6.297 11.010 -9.397 1.00 0.00 O ATOM 949 CB ILE A 63 -5.196 8.450 -9.373 1.00 0.00 C ATOM 950 CG1 ILE A 63 -4.291 7.322 -8.792 1.00 0.00 C ATOM 951 CG2 ILE A 63 -6.182 7.855 -10.417 1.00 0.00 C ATOM 952 CD1 ILE A 63 -5.039 6.285 -7.956 1.00 0.00 C ATOM 0 H ILE A 63 -3.010 9.491 -8.380 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.172 9.379 -11.045 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.761 8.874 -8.542 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.789 6.814 -9.616 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.514 7.776 -8.177 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.744 7.039 -9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.872 8.631 -10.749 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.622 7.477 -11.272 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.336 5.537 -7.590 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.518 6.777 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.797 5.800 -8.571 1.00 0.00 H new ATOM 964 N ASN A 64 -4.556 12.051 -10.408 1.00 0.00 N ATOM 965 CA ASN A 64 -5.035 13.427 -10.204 1.00 0.00 C ATOM 966 C ASN A 64 -4.340 14.378 -11.205 1.00 0.00 C ATOM 967 O ASN A 64 -4.944 15.345 -11.670 1.00 0.00 O ATOM 968 CB ASN A 64 -4.772 13.864 -8.735 1.00 0.00 C ATOM 969 CG ASN A 64 -5.465 15.172 -8.344 1.00 0.00 C ATOM 970 OD1 ASN A 64 -6.578 15.164 -7.832 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.830 16.303 -8.592 1.00 0.00 N ATOM 0 H ASN A 64 -3.707 11.997 -10.971 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.109 13.471 -10.384 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.107 13.072 -8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.698 13.974 -8.586 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.266 17.195 -8.357 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.904 16.285 -9.019 1.00 0.00 H new ATOM 978 N CYS A 65 -3.056 14.089 -11.529 1.00 0.00 N ATOM 979 CA CYS A 65 -2.301 14.842 -12.568 1.00 0.00 C ATOM 980 C CYS A 65 -1.370 13.910 -13.378 1.00 0.00 C ATOM 981 O CYS A 65 -0.536 14.392 -14.145 1.00 0.00 O ATOM 982 CB CYS A 65 -1.502 16.032 -11.949 1.00 0.00 C ATOM 983 SG CYS A 65 -0.066 15.598 -10.893 1.00 0.00 S ATOM 0 H CYS A 65 -2.520 13.342 -11.088 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.034 15.260 -13.258 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.147 16.664 -12.763 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.191 16.633 -11.356 1.00 0.00 H new ATOM 988 N GLU A 66 -1.544 12.568 -13.208 1.00 0.00 N ATOM 989 CA GLU A 66 -0.741 11.505 -13.894 1.00 0.00 C ATOM 990 C GLU A 66 0.781 11.652 -13.670 1.00 0.00 C ATOM 991 O GLU A 66 1.579 11.061 -14.410 1.00 0.00 O ATOM 992 CB GLU A 66 -1.074 11.441 -15.416 1.00 0.00 C ATOM 993 CG GLU A 66 -2.496 10.946 -15.741 1.00 0.00 C ATOM 994 CD GLU A 66 -2.795 10.936 -17.249 1.00 0.00 C ATOM 995 OE1 GLU A 66 -3.248 11.971 -17.782 1.00 0.00 O ATOM 996 OE2 GLU A 66 -2.561 9.904 -17.914 1.00 0.00 O ATOM 0 H GLU A 66 -2.254 12.186 -12.583 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.032 10.561 -13.433 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.942 12.434 -15.845 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.354 10.784 -15.905 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.625 9.939 -15.343 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.222 11.583 -15.236 1.00 0.00 H new ATOM 1003 N LYS A 67 1.163 12.399 -12.621 1.00 0.00 N ATOM 1004 CA LYS A 67 2.567 12.705 -12.335 1.00 0.00 C ATOM 1005 C LYS A 67 3.296 11.446 -11.865 1.00 0.00 C ATOM 1006 O LYS A 67 2.886 10.828 -10.881 1.00 0.00 O ATOM 1007 CB LYS A 67 2.670 13.814 -11.255 1.00 0.00 C ATOM 1008 CG LYS A 67 4.113 14.276 -10.936 1.00 0.00 C ATOM 1009 CD LYS A 67 4.828 14.875 -12.171 1.00 0.00 C ATOM 1010 CE LYS A 67 6.274 15.298 -11.880 1.00 0.00 C ATOM 1011 NZ LYS A 67 6.938 15.862 -13.089 1.00 0.00 N ATOM 0 H LYS A 67 0.508 12.804 -11.953 1.00 0.00 H new ATOM 0 HA LYS A 67 3.037 13.065 -13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.091 14.677 -11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.208 13.452 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.086 15.020 -10.139 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.688 13.429 -10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.825 14.141 -12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.267 15.740 -12.525 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.282 16.040 -11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.840 14.438 -11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.913 16.136 -12.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.952 15.146 -13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.412 16.698 -13.416 1.00 0.00 H new ATOM 1025 N ILE A 68 4.359 11.069 -12.585 1.00 0.00 N ATOM 1026 CA ILE A 68 5.256 9.997 -12.167 1.00 0.00 C ATOM 1027 C ILE A 68 6.268 10.609 -11.197 1.00 0.00 C ATOM 1028 O ILE A 68 7.141 11.392 -11.596 1.00 0.00 O ATOM 1029 CB ILE A 68 6.015 9.335 -13.380 1.00 0.00 C ATOM 1030 CG1 ILE A 68 5.006 8.730 -14.412 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.032 8.261 -12.893 1.00 0.00 C ATOM 1032 CD1 ILE A 68 4.270 7.473 -13.955 1.00 0.00 C ATOM 0 H ILE A 68 4.617 11.501 -13.472 1.00 0.00 H new ATOM 0 HA ILE A 68 4.671 9.205 -11.700 1.00 0.00 H new ATOM 0 HB ILE A 68 6.580 10.119 -13.885 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.267 9.492 -14.660 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.547 8.499 -15.330 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.539 7.823 -13.753 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.767 8.727 -12.237 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.503 7.480 -12.347 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.597 7.138 -14.744 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.993 6.687 -13.737 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.693 7.695 -13.057 1.00 0.00 H new ATOM 1044 N GLN A 69 6.085 10.302 -9.920 1.00 0.00 N ATOM 1045 CA GLN A 69 6.998 10.711 -8.852 1.00 0.00 C ATOM 1046 C GLN A 69 7.324 9.496 -7.993 1.00 0.00 C ATOM 1047 O GLN A 69 6.584 8.509 -8.008 1.00 0.00 O ATOM 1048 CB GLN A 69 6.397 11.866 -7.988 1.00 0.00 C ATOM 1049 CG GLN A 69 5.190 11.511 -7.077 1.00 0.00 C ATOM 1050 CD GLN A 69 3.865 11.305 -7.827 1.00 0.00 C ATOM 1051 OE1 GLN A 69 3.078 12.238 -8.012 1.00 0.00 O ATOM 1052 NE2 GLN A 69 3.597 10.080 -8.243 1.00 0.00 N ATOM 0 H GLN A 69 5.290 9.756 -9.589 1.00 0.00 H new ATOM 0 HA GLN A 69 7.913 11.100 -9.298 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.191 12.266 -7.357 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.090 12.667 -8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.424 10.602 -6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.058 12.307 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.265 9.327 -8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.722 9.887 -8.730 1.00 0.00 H new ATOM 1061 N HIS A 70 8.427 9.576 -7.250 1.00 0.00 N ATOM 1062 CA HIS A 70 8.879 8.480 -6.381 1.00 0.00 C ATOM 1063 C HIS A 70 7.935 8.319 -5.178 1.00 0.00 C ATOM 1064 O HIS A 70 7.317 9.292 -4.729 1.00 0.00 O ATOM 1065 CB HIS A 70 10.351 8.700 -5.951 1.00 0.00 C ATOM 1066 CG HIS A 70 11.326 8.614 -7.108 1.00 0.00 C ATOM 1067 ND1 HIS A 70 12.282 7.627 -7.222 1.00 0.00 N ATOM 1068 CD2 HIS A 70 11.460 9.379 -8.222 1.00 0.00 C ATOM 1069 CE1 HIS A 70 12.948 7.790 -8.349 1.00 0.00 C ATOM 1070 NE2 HIS A 70 12.468 8.842 -8.973 1.00 0.00 N ATOM 0 H HIS A 70 9.033 10.396 -7.230 1.00 0.00 H new ATOM 0 HA HIS A 70 8.845 7.545 -6.941 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.443 9.678 -5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.620 7.956 -5.201 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.876 10.253 -8.470 1.00 0.00 H new ATOM 0 HE1 HIS A 70 13.754 7.163 -8.700 1.00 0.00 H new ATOM 0 HE2 HIS A 70 12.794 9.199 -9.871 1.00 0.00 H new ATOM 1079 N ALA A 71 7.828 7.074 -4.693 1.00 0.00 N ATOM 1080 CA ALA A 71 6.852 6.669 -3.674 1.00 0.00 C ATOM 1081 C ALA A 71 7.096 7.381 -2.320 1.00 0.00 C ATOM 1082 O ALA A 71 7.930 6.955 -1.513 1.00 0.00 O ATOM 1083 CB ALA A 71 6.881 5.140 -3.537 1.00 0.00 C ATOM 0 H ALA A 71 8.427 6.309 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 71 5.856 6.977 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.159 4.829 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.625 4.684 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.879 4.820 -3.238 1.00 0.00 H new ATOM 1089 N GLN A 72 6.372 8.494 -2.124 1.00 0.00 N ATOM 1090 CA GLN A 72 6.438 9.345 -0.909 1.00 0.00 C ATOM 1091 C GLN A 72 5.053 9.365 -0.219 1.00 0.00 C ATOM 1092 O GLN A 72 4.306 8.390 -0.333 1.00 0.00 O ATOM 1093 CB GLN A 72 6.953 10.761 -1.317 1.00 0.00 C ATOM 1094 CG GLN A 72 6.113 11.496 -2.391 1.00 0.00 C ATOM 1095 CD GLN A 72 6.869 12.655 -3.060 1.00 0.00 C ATOM 1096 OE1 GLN A 72 7.522 12.471 -4.090 1.00 0.00 O ATOM 1097 NE2 GLN A 72 6.799 13.851 -2.481 1.00 0.00 N ATOM 0 H GLN A 72 5.708 8.841 -2.816 1.00 0.00 H new ATOM 0 HA GLN A 72 7.141 8.945 -0.178 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.993 11.384 -0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.975 10.664 -1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.806 10.782 -3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.203 11.881 -1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.251 13.974 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.293 14.645 -2.889 1.00 0.00 H new ATOM 1106 N GLN A 73 4.724 10.427 0.551 1.00 0.00 N ATOM 1107 CA GLN A 73 3.385 10.559 1.174 1.00 0.00 C ATOM 1108 C GLN A 73 2.449 11.462 0.345 1.00 0.00 C ATOM 1109 O GLN A 73 1.243 11.212 0.296 1.00 0.00 O ATOM 1110 CB GLN A 73 3.479 11.102 2.629 1.00 0.00 C ATOM 1111 CG GLN A 73 2.104 11.218 3.341 1.00 0.00 C ATOM 1112 CD GLN A 73 2.159 11.747 4.775 1.00 0.00 C ATOM 1113 OE1 GLN A 73 3.035 12.526 5.139 1.00 0.00 O ATOM 1114 NE2 GLN A 73 1.213 11.328 5.601 1.00 0.00 N ATOM 0 H GLN A 73 5.359 11.198 0.755 1.00 0.00 H new ATOM 0 HA GLN A 73 2.962 9.555 1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.126 10.446 3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.953 12.083 2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.462 11.873 2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.633 10.235 3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.498 10.680 5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.200 11.653 6.568 1.00 0.00 H new ATOM 1123 N THR A 74 2.983 12.534 -0.273 1.00 0.00 N ATOM 1124 CA THR A 74 2.147 13.544 -0.970 1.00 0.00 C ATOM 1125 C THR A 74 2.822 14.035 -2.268 1.00 0.00 C ATOM 1126 O THR A 74 4.037 14.218 -2.315 1.00 0.00 O ATOM 1127 CB THR A 74 1.850 14.771 -0.033 1.00 0.00 C ATOM 1128 OG1 THR A 74 1.495 14.309 1.280 1.00 0.00 O ATOM 1129 CG2 THR A 74 0.703 15.654 -0.568 1.00 0.00 C ATOM 0 H THR A 74 3.984 12.727 -0.306 1.00 0.00 H new ATOM 0 HA THR A 74 1.206 13.059 -1.230 1.00 0.00 H new ATOM 0 HB THR A 74 2.759 15.372 -0.001 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.313 15.078 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.537 16.487 0.115 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.969 16.039 -1.553 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.208 15.060 -0.644 1.00 0.00 H new ATOM 1137 N CYS A 75 1.999 14.221 -3.316 1.00 0.00 N ATOM 1138 CA CYS A 75 2.408 14.790 -4.612 1.00 0.00 C ATOM 1139 C CYS A 75 2.737 16.268 -4.430 1.00 0.00 C ATOM 1140 O CYS A 75 1.836 17.073 -4.216 1.00 0.00 O ATOM 1141 CB CYS A 75 1.249 14.629 -5.627 1.00 0.00 C ATOM 1142 SG CYS A 75 1.457 15.406 -7.275 1.00 0.00 S ATOM 0 H CYS A 75 1.010 13.974 -3.284 1.00 0.00 H new ATOM 0 HA CYS A 75 3.289 14.269 -4.986 1.00 0.00 H new ATOM 0 HB2 CYS A 75 1.078 13.563 -5.776 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.345 15.037 -5.174 1.00 0.00 H new ATOM 1147 N GLU A 76 4.025 16.612 -4.498 1.00 0.00 N ATOM 1148 CA GLU A 76 4.500 18.012 -4.380 1.00 0.00 C ATOM 1149 C GLU A 76 4.216 18.825 -5.668 1.00 0.00 C ATOM 1150 O GLU A 76 4.533 20.018 -5.747 1.00 0.00 O ATOM 1151 CB GLU A 76 6.010 18.014 -4.019 1.00 0.00 C ATOM 1152 CG GLU A 76 6.913 17.285 -5.035 1.00 0.00 C ATOM 1153 CD GLU A 76 8.365 17.131 -4.552 1.00 0.00 C ATOM 1154 OE1 GLU A 76 8.669 16.127 -3.865 1.00 0.00 O ATOM 1155 OE2 GLU A 76 9.206 18.006 -4.852 1.00 0.00 O ATOM 0 H GLU A 76 4.776 15.936 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 76 3.947 18.505 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.347 19.047 -3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.137 17.550 -3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.498 16.298 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.906 17.834 -5.977 1.00 0.00 H new ATOM 1162 N GLU A 77 3.603 18.158 -6.667 1.00 0.00 N ATOM 1163 CA GLU A 77 3.153 18.786 -7.914 1.00 0.00 C ATOM 1164 C GLU A 77 1.756 19.436 -7.743 1.00 0.00 C ATOM 1165 O GLU A 77 1.506 20.514 -8.290 1.00 0.00 O ATOM 1166 CB GLU A 77 3.122 17.715 -9.044 1.00 0.00 C ATOM 1167 CG GLU A 77 2.987 18.268 -10.475 1.00 0.00 C ATOM 1168 CD GLU A 77 4.188 19.137 -10.905 1.00 0.00 C ATOM 1169 OE1 GLU A 77 5.265 18.569 -11.200 1.00 0.00 O ATOM 1170 OE2 GLU A 77 4.068 20.382 -10.931 1.00 0.00 O ATOM 0 H GLU A 77 3.407 17.158 -6.625 1.00 0.00 H new ATOM 0 HA GLU A 77 3.852 19.579 -8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.036 17.124 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.290 17.036 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.881 17.436 -11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.075 18.860 -10.545 1.00 0.00 H new ATOM 1177 N CYS A 78 0.840 18.783 -6.972 1.00 0.00 N ATOM 1178 CA CYS A 78 -0.577 19.250 -6.865 1.00 0.00 C ATOM 1179 C CYS A 78 -1.256 18.839 -5.528 1.00 0.00 C ATOM 1180 O CYS A 78 -2.490 18.779 -5.456 1.00 0.00 O ATOM 1181 CB CYS A 78 -1.409 18.725 -8.067 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.968 16.992 -7.917 1.00 0.00 S ATOM 0 H CYS A 78 1.050 17.948 -6.425 1.00 0.00 H new ATOM 0 HA CYS A 78 -0.547 20.339 -6.882 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.283 19.364 -8.192 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -0.812 18.822 -8.974 1.00 0.00 H new ATOM 1187 N SER A 79 -0.449 18.564 -4.480 1.00 0.00 N ATOM 1188 CA SER A 79 -0.935 18.313 -3.091 1.00 0.00 C ATOM 1189 C SER A 79 -1.814 17.039 -2.964 1.00 0.00 C ATOM 1190 O SER A 79 -2.589 16.914 -2.007 1.00 0.00 O ATOM 1191 CB SER A 79 -1.684 19.567 -2.546 1.00 0.00 C ATOM 1192 OG SER A 79 -0.876 20.731 -2.638 1.00 0.00 O ATOM 0 H SER A 79 0.566 18.508 -4.567 1.00 0.00 H new ATOM 0 HA SER A 79 -0.052 18.127 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.605 19.716 -3.109 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.968 19.400 -1.507 1.00 0.00 H new ATOM 0 HG SER A 79 -1.372 21.502 -2.291 1.00 0.00 H new ATOM 1198 N THR A 80 -1.661 16.073 -3.900 1.00 0.00 N ATOM 1199 CA THR A 80 -2.439 14.816 -3.868 1.00 0.00 C ATOM 1200 C THR A 80 -1.874 13.881 -2.789 1.00 0.00 C ATOM 1201 O THR A 80 -0.785 13.323 -2.960 1.00 0.00 O ATOM 1202 CB THR A 80 -2.431 14.087 -5.249 1.00 0.00 C ATOM 1203 OG1 THR A 80 -2.831 15.001 -6.272 1.00 0.00 O ATOM 1204 CG2 THR A 80 -3.362 12.852 -5.273 1.00 0.00 C ATOM 0 H THR A 80 -1.009 16.141 -4.682 1.00 0.00 H new ATOM 0 HA THR A 80 -3.472 15.075 -3.635 1.00 0.00 H new ATOM 0 HB THR A 80 -1.415 13.734 -5.424 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.050 15.502 -6.587 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.319 12.383 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.039 12.138 -4.515 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.385 13.164 -5.065 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.601 13.753 -1.675 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.220 12.876 -0.570 1.00 0.00 C ATOM 1214 C LEU A 81 -2.396 11.401 -0.995 1.00 0.00 C ATOM 1215 O LEU A 81 -3.500 10.980 -1.360 1.00 0.00 O ATOM 1216 CB LEU A 81 -3.061 13.219 0.692 1.00 0.00 C ATOM 1217 CG LEU A 81 -2.680 12.466 2.009 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -1.201 12.701 2.387 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -3.611 12.865 3.178 1.00 0.00 C ATOM 0 H LEU A 81 -3.473 14.258 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.171 13.029 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.980 14.290 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.108 13.012 0.471 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.814 11.401 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.971 12.163 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.558 12.339 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.029 13.767 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.318 12.323 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.530 13.937 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.641 12.616 2.924 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.281 10.642 -0.977 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.259 9.201 -1.333 1.00 0.00 C ATOM 1233 C PHE A 82 -2.008 8.381 -0.274 1.00 0.00 C ATOM 1234 O PHE A 82 -2.370 7.240 -0.514 1.00 0.00 O ATOM 1235 CB PHE A 82 0.199 8.656 -1.452 1.00 0.00 C ATOM 1236 CG PHE A 82 1.133 9.345 -2.459 1.00 0.00 C ATOM 1237 CD1 PHE A 82 0.774 10.498 -3.158 1.00 0.00 C ATOM 1238 CD2 PHE A 82 2.407 8.824 -2.684 1.00 0.00 C ATOM 1239 CE1 PHE A 82 1.654 11.109 -4.023 1.00 0.00 C ATOM 1240 CE2 PHE A 82 3.284 9.435 -3.553 1.00 0.00 C ATOM 1241 CZ PHE A 82 2.906 10.575 -4.228 1.00 0.00 C ATOM 0 H PHE A 82 -0.366 11.009 -0.715 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.748 9.102 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.662 8.717 -0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.143 7.599 -1.713 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.211 10.918 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.711 7.926 -2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.361 12.010 -4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.269 9.020 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.590 11.049 -4.916 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.173 8.970 0.915 1.00 0.00 N ATOM 1252 CA GLY A 83 -2.942 8.370 1.988 1.00 0.00 C ATOM 1253 C GLY A 83 -2.654 9.031 3.317 1.00 0.00 C ATOM 1254 O GLY A 83 -1.529 9.505 3.546 1.00 0.00 O ATOM 0 H GLY A 83 -1.773 9.878 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.006 8.451 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.710 7.307 2.052 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.680 9.070 4.190 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.569 9.620 5.557 1.00 0.00 C ATOM 1260 C GLU A 84 -2.480 8.882 6.348 1.00 0.00 C ATOM 1261 O GLU A 84 -1.690 9.493 7.075 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.928 9.500 6.288 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.083 10.288 5.628 1.00 0.00 C ATOM 1264 CD GLU A 84 -7.425 10.133 6.368 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -7.696 10.922 7.302 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -8.203 9.212 6.036 1.00 0.00 O ATOM 0 H GLU A 84 -4.612 8.720 3.967 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.293 10.672 5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.206 8.447 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.807 9.849 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.817 11.344 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.202 9.951 4.598 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.469 7.560 6.183 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.446 6.672 6.729 1.00 0.00 C ATOM 1275 C TYR A 85 -0.502 6.226 5.592 1.00 0.00 C ATOM 1276 O TYR A 85 -0.946 5.634 4.610 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.133 5.446 7.392 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.145 4.373 7.864 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -0.283 4.627 8.926 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -1.043 3.132 7.225 1.00 0.00 C ATOM 1281 CE1 TYR A 85 0.636 3.687 9.341 1.00 0.00 C ATOM 1282 CE2 TYR A 85 -0.121 2.191 7.636 1.00 0.00 C ATOM 1283 CZ TYR A 85 0.714 2.471 8.694 1.00 0.00 C ATOM 1284 OH TYR A 85 1.642 1.536 9.099 1.00 0.00 O ATOM 0 H TYR A 85 -3.188 7.066 5.654 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.858 7.192 7.486 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.722 5.786 8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.829 5.001 6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.335 5.578 9.435 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.697 2.907 6.396 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.293 3.902 10.171 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.055 1.239 7.130 1.00 0.00 H new ATOM 0 HH TYR A 85 1.695 0.818 8.434 1.00 0.00 H new ATOM 1294 N TYR A 86 0.800 6.515 5.725 1.00 0.00 N ATOM 1295 CA TYR A 86 1.827 6.031 4.778 1.00 0.00 C ATOM 1296 C TYR A 86 2.868 5.219 5.560 1.00 0.00 C ATOM 1297 O TYR A 86 3.040 5.433 6.765 1.00 0.00 O ATOM 1298 CB TYR A 86 2.482 7.213 3.989 1.00 0.00 C ATOM 1299 CG TYR A 86 3.706 7.882 4.652 1.00 0.00 C ATOM 1300 CD1 TYR A 86 3.570 8.694 5.780 1.00 0.00 C ATOM 1301 CD2 TYR A 86 4.995 7.710 4.130 1.00 0.00 C ATOM 1302 CE1 TYR A 86 4.664 9.305 6.360 1.00 0.00 C ATOM 1303 CE2 TYR A 86 6.086 8.315 4.710 1.00 0.00 C ATOM 1304 CZ TYR A 86 5.919 9.114 5.819 1.00 0.00 C ATOM 1305 OH TYR A 86 7.013 9.732 6.386 1.00 0.00 O ATOM 0 H TYR A 86 1.174 7.085 6.484 1.00 0.00 H new ATOM 0 HA TYR A 86 1.361 5.390 4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.783 6.845 3.008 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.722 7.977 3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.590 8.847 6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.135 7.091 3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.538 9.929 7.232 1.00 0.00 H new ATOM 0 HE2 TYR A 86 7.072 8.164 4.296 1.00 0.00 H new ATOM 0 HH TYR A 86 7.820 9.492 5.885 1.00 0.00 H new ATOM 1315 N CYS A 87 3.544 4.279 4.883 1.00 0.00 N ATOM 1316 CA CYS A 87 4.579 3.437 5.511 1.00 0.00 C ATOM 1317 C CYS A 87 5.576 2.998 4.421 1.00 0.00 C ATOM 1318 O CYS A 87 5.203 2.253 3.513 1.00 0.00 O ATOM 1319 CB CYS A 87 3.889 2.228 6.193 1.00 0.00 C ATOM 1320 SG CYS A 87 4.901 1.299 7.382 1.00 0.00 S ATOM 0 H CYS A 87 3.393 4.080 3.894 1.00 0.00 H new ATOM 0 HA CYS A 87 5.131 3.982 6.276 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.997 2.587 6.707 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.554 1.541 5.416 1.00 0.00 H new ATOM 1325 N ASP A 88 6.842 3.461 4.532 1.00 0.00 N ATOM 1326 CA ASP A 88 7.854 3.373 3.445 1.00 0.00 C ATOM 1327 C ASP A 88 8.492 1.973 3.335 1.00 0.00 C ATOM 1328 O ASP A 88 8.720 1.483 2.225 1.00 0.00 O ATOM 1329 CB ASP A 88 8.955 4.457 3.641 1.00 0.00 C ATOM 1330 CG ASP A 88 9.760 4.291 4.947 1.00 0.00 C ATOM 1331 OD1 ASP A 88 9.241 4.653 6.022 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.909 3.791 4.908 1.00 0.00 O ATOM 0 H ASP A 88 7.195 3.908 5.378 1.00 0.00 H new ATOM 0 HA ASP A 88 7.328 3.555 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.641 4.423 2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.488 5.442 3.634 1.00 0.00 H new ATOM 1337 N ILE A 89 8.760 1.333 4.491 1.00 0.00 N ATOM 1338 CA ILE A 89 9.399 -0.007 4.553 1.00 0.00 C ATOM 1339 C ILE A 89 8.435 -1.098 4.000 1.00 0.00 C ATOM 1340 O ILE A 89 8.874 -2.149 3.516 1.00 0.00 O ATOM 1341 CB ILE A 89 9.847 -0.350 6.032 1.00 0.00 C ATOM 1342 CG1 ILE A 89 10.769 0.768 6.619 1.00 0.00 C ATOM 1343 CG2 ILE A 89 10.540 -1.734 6.126 1.00 0.00 C ATOM 1344 CD1 ILE A 89 11.120 0.600 8.094 1.00 0.00 C ATOM 0 H ILE A 89 8.542 1.725 5.407 1.00 0.00 H new ATOM 0 HA ILE A 89 10.291 0.011 3.927 1.00 0.00 H new ATOM 0 HB ILE A 89 8.939 -0.397 6.633 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.693 0.798 6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 89 10.278 1.732 6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.830 -1.926 7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.851 -2.510 5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.427 -1.740 5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.762 1.422 8.411 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.206 0.603 8.688 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.643 -0.345 8.238 1.00 0.00 H new ATOM 1356 N CYS A 90 7.114 -0.834 4.080 1.00 0.00 N ATOM 1357 CA CYS A 90 6.086 -1.694 3.452 1.00 0.00 C ATOM 1358 C CYS A 90 5.699 -1.167 2.052 1.00 0.00 C ATOM 1359 O CYS A 90 5.179 -1.928 1.229 1.00 0.00 O ATOM 1360 CB CYS A 90 4.841 -1.757 4.347 1.00 0.00 C ATOM 1361 SG CYS A 90 5.172 -2.288 6.052 1.00 0.00 S ATOM 0 H CYS A 90 6.732 -0.029 4.576 1.00 0.00 H new ATOM 0 HA CYS A 90 6.503 -2.694 3.337 1.00 0.00 H new ATOM 0 HB2 CYS A 90 4.374 -0.772 4.370 1.00 0.00 H new ATOM 0 HB3 CYS A 90 4.120 -2.441 3.899 1.00 0.00 H new ATOM 1366 N HIS A 91 5.939 0.151 1.826 1.00 0.00 N ATOM 1367 CA HIS A 91 5.585 0.884 0.576 1.00 0.00 C ATOM 1368 C HIS A 91 4.058 0.961 0.331 1.00 0.00 C ATOM 1369 O HIS A 91 3.622 1.320 -0.773 1.00 0.00 O ATOM 1370 CB HIS A 91 6.348 0.314 -0.667 1.00 0.00 C ATOM 1371 CG HIS A 91 7.595 1.065 -1.049 1.00 0.00 C ATOM 1372 ND1 HIS A 91 8.834 0.802 -0.521 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.774 2.073 -1.928 1.00 0.00 C ATOM 1374 CE1 HIS A 91 9.722 1.611 -1.058 1.00 0.00 C ATOM 1375 NE2 HIS A 91 9.109 2.396 -1.923 1.00 0.00 N ATOM 0 H HIS A 91 6.392 0.747 2.519 1.00 0.00 H new ATOM 0 HA HIS A 91 5.919 1.911 0.721 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.614 -0.724 -0.466 1.00 0.00 H new ATOM 0 HB3 HIS A 91 5.669 0.309 -1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.007 2.541 -2.527 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.777 1.629 -0.829 1.00 0.00 H new ATOM 0 HE2 HIS A 91 9.551 3.119 -2.491 1.00 0.00 H new ATOM 1384 N LEU A 92 3.252 0.675 1.373 1.00 0.00 N ATOM 1385 CA LEU A 92 1.787 0.785 1.290 1.00 0.00 C ATOM 1386 C LEU A 92 1.373 2.157 1.836 1.00 0.00 C ATOM 1387 O LEU A 92 1.818 2.571 2.924 1.00 0.00 O ATOM 1388 CB LEU A 92 1.076 -0.405 2.025 1.00 0.00 C ATOM 1389 CG LEU A 92 1.179 -0.503 3.601 1.00 0.00 C ATOM 1390 CD1 LEU A 92 0.058 0.297 4.327 1.00 0.00 C ATOM 1391 CD2 LEU A 92 1.170 -1.980 4.070 1.00 0.00 C ATOM 0 H LEU A 92 3.595 0.366 2.283 1.00 0.00 H new ATOM 0 HA LEU A 92 1.466 0.713 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.018 -0.367 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.473 -1.332 1.611 1.00 0.00 H new ATOM 0 HG LEU A 92 2.131 -0.049 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.178 0.194 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.127 1.350 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.916 -0.092 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.242 -2.017 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.243 -2.457 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.018 -2.506 3.632 1.00 0.00 H new ATOM 1403 N PHE A 93 0.598 2.892 1.033 1.00 0.00 N ATOM 1404 CA PHE A 93 0.040 4.204 1.403 1.00 0.00 C ATOM 1405 C PHE A 93 -1.479 4.101 1.209 1.00 0.00 C ATOM 1406 O PHE A 93 -1.925 3.615 0.167 1.00 0.00 O ATOM 1407 CB PHE A 93 0.645 5.355 0.526 1.00 0.00 C ATOM 1408 CG PHE A 93 2.150 5.220 0.221 1.00 0.00 C ATOM 1409 CD1 PHE A 93 3.083 4.974 1.236 1.00 0.00 C ATOM 1410 CD2 PHE A 93 2.625 5.312 -1.089 1.00 0.00 C ATOM 1411 CE1 PHE A 93 4.423 4.828 0.951 1.00 0.00 C ATOM 1412 CE2 PHE A 93 3.966 5.165 -1.372 1.00 0.00 C ATOM 1413 CZ PHE A 93 4.868 4.925 -0.351 1.00 0.00 C ATOM 0 H PHE A 93 0.335 2.592 0.094 1.00 0.00 H new ATOM 0 HA PHE A 93 0.288 4.451 2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.101 5.397 -0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.476 6.305 1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.746 4.897 2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.930 5.501 -1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.126 4.637 1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.313 5.237 -2.392 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.919 4.814 -0.573 1.00 0.00 H new ATOM 1423 N ASP A 94 -2.247 4.526 2.210 1.00 0.00 N ATOM 1424 CA ASP A 94 -3.702 4.295 2.285 1.00 0.00 C ATOM 1425 C ASP A 94 -4.317 5.293 3.281 1.00 0.00 C ATOM 1426 O ASP A 94 -3.581 5.946 4.022 1.00 0.00 O ATOM 1427 CB ASP A 94 -3.952 2.811 2.718 1.00 0.00 C ATOM 1428 CG ASP A 94 -5.432 2.422 2.856 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -6.199 2.617 1.892 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -5.832 1.902 3.922 1.00 0.00 O ATOM 0 H ASP A 94 -1.879 5.048 3.005 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.176 4.453 1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.483 2.150 1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.454 2.637 3.672 1.00 0.00 H new ATOM 1435 N LYS A 95 -5.658 5.435 3.289 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.370 6.270 4.291 1.00 0.00 C ATOM 1437 C LYS A 95 -6.075 5.827 5.743 1.00 0.00 C ATOM 1438 O LYS A 95 -5.455 4.789 5.996 1.00 0.00 O ATOM 1439 CB LYS A 95 -7.909 6.196 4.090 1.00 0.00 C ATOM 1440 CG LYS A 95 -8.511 7.099 3.004 1.00 0.00 C ATOM 1441 CD LYS A 95 -10.057 7.003 3.013 1.00 0.00 C ATOM 1442 CE LYS A 95 -10.741 8.071 2.157 1.00 0.00 C ATOM 1443 NZ LYS A 95 -10.513 7.889 0.699 1.00 0.00 N ATOM 0 H LYS A 95 -6.275 4.983 2.614 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.006 7.286 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.172 5.164 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.387 6.441 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.204 8.132 3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.128 6.806 2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.354 6.017 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.412 7.090 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.813 8.055 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.377 9.054 2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.015 8.633 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.495 7.950 0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -10.869 6.957 0.406 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.587 6.623 6.688 1.00 0.00 N ATOM 1458 CA ASP A 96 -6.672 6.222 8.089 1.00 0.00 C ATOM 1459 C ASP A 96 -7.934 5.358 8.224 1.00 0.00 C ATOM 1460 O ASP A 96 -9.059 5.855 8.125 1.00 0.00 O ATOM 1461 CB ASP A 96 -6.716 7.478 9.010 1.00 0.00 C ATOM 1462 CG ASP A 96 -7.075 7.169 10.477 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -6.322 6.437 11.144 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -8.129 7.644 10.960 1.00 0.00 O ATOM 0 H ASP A 96 -6.951 7.557 6.501 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.798 5.650 8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.744 7.971 8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.444 8.184 8.610 1.00 0.00 H new ATOM 1469 N LYS A 97 -7.715 4.053 8.412 1.00 0.00 N ATOM 1470 CA LYS A 97 -8.774 3.032 8.535 1.00 0.00 C ATOM 1471 C LYS A 97 -8.451 2.145 9.738 1.00 0.00 C ATOM 1472 O LYS A 97 -8.644 0.914 9.691 1.00 0.00 O ATOM 1473 CB LYS A 97 -8.846 2.165 7.240 1.00 0.00 C ATOM 1474 CG LYS A 97 -9.135 2.926 5.929 1.00 0.00 C ATOM 1475 CD LYS A 97 -9.044 1.987 4.708 1.00 0.00 C ATOM 1476 CE LYS A 97 -9.305 2.692 3.377 1.00 0.00 C ATOM 1477 NZ LYS A 97 -8.944 1.824 2.229 1.00 0.00 N ATOM 0 H LYS A 97 -6.776 3.662 8.485 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.740 3.518 8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.900 1.636 7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.620 1.409 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.129 3.372 5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.424 3.744 5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.053 1.533 4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.763 1.177 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.357 2.969 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.728 3.616 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.440 2.152 1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.917 1.867 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.221 0.843 2.435 1.00 0.00 H new ATOM 1491 N LYS A 98 -7.918 2.792 10.802 1.00 0.00 N ATOM 1492 CA LYS A 98 -7.628 2.152 12.101 1.00 0.00 C ATOM 1493 C LYS A 98 -6.428 1.174 12.039 1.00 0.00 C ATOM 1494 O LYS A 98 -6.081 0.573 13.060 1.00 0.00 O ATOM 1495 CB LYS A 98 -8.897 1.425 12.641 1.00 0.00 C ATOM 1496 CG LYS A 98 -10.103 2.338 12.947 1.00 0.00 C ATOM 1497 CD LYS A 98 -9.902 3.175 14.223 1.00 0.00 C ATOM 1498 CE LYS A 98 -11.089 4.100 14.515 1.00 0.00 C ATOM 1499 NZ LYS A 98 -11.023 4.658 15.893 1.00 0.00 N ATOM 0 H LYS A 98 -7.676 3.783 10.779 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.345 2.949 12.789 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.205 0.677 11.910 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.628 0.889 13.551 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.273 3.005 12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.999 1.727 13.055 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.750 2.507 15.071 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.996 3.773 14.122 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.102 4.916 13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.021 3.548 14.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.985 4.862 16.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.573 3.967 16.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.465 5.536 15.886 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.782 1.048 10.853 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.709 0.059 10.621 1.00 0.00 C ATOM 1515 C GLN A 99 -3.408 0.472 11.340 1.00 0.00 C ATOM 1516 O GLN A 99 -3.060 1.662 11.400 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.442 -0.177 9.095 1.00 0.00 C ATOM 1518 CG GLN A 99 -3.807 0.992 8.301 1.00 0.00 C ATOM 1519 CD GLN A 99 -4.760 2.158 8.022 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -4.879 3.092 8.818 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -5.439 2.114 6.885 1.00 0.00 N ATOM 0 H GLN A 99 -5.991 1.626 10.039 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.054 -0.885 11.042 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.792 -1.046 8.996 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.390 -0.432 8.621 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.946 1.367 8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.433 0.609 7.352 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.317 1.326 6.248 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.084 2.868 6.646 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.698 -0.524 11.885 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.429 -0.320 12.611 1.00 0.00 C ATOM 1532 C TYR A 100 -0.316 -1.122 11.933 1.00 0.00 C ATOM 1533 O TYR A 100 -0.589 -2.106 11.227 1.00 0.00 O ATOM 1534 CB TYR A 100 -1.570 -0.759 14.096 1.00 0.00 C ATOM 1535 CG TYR A 100 -1.609 -2.290 14.328 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -2.714 -3.066 13.940 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -0.526 -2.961 14.919 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -2.726 -4.435 14.132 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -0.545 -4.328 15.109 1.00 0.00 C ATOM 1540 CZ TYR A 100 -1.643 -5.061 14.715 1.00 0.00 C ATOM 1541 OH TYR A 100 -1.654 -6.428 14.915 1.00 0.00 O ATOM 0 H TYR A 100 -2.986 -1.501 11.837 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.179 0.741 12.588 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.737 -0.343 14.662 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.482 -0.322 14.503 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.567 -2.586 13.485 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.340 -2.396 15.231 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.584 -5.015 13.825 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.300 -4.822 15.566 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.762 -6.792 14.734 1.00 0.00 H new ATOM 1551 N HIS A 101 0.934 -0.713 12.170 1.00 0.00 N ATOM 1552 CA HIS A 101 2.114 -1.441 11.702 1.00 0.00 C ATOM 1553 C HIS A 101 2.588 -2.408 12.800 1.00 0.00 C ATOM 1554 O HIS A 101 3.003 -1.989 13.888 1.00 0.00 O ATOM 1555 CB HIS A 101 3.224 -0.456 11.240 1.00 0.00 C ATOM 1556 CG HIS A 101 4.529 -1.121 10.876 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.792 -1.665 9.612 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.574 -1.396 11.704 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.970 -2.253 9.774 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.466 -2.117 10.999 1.00 0.00 N ATOM 0 H HIS A 101 1.155 0.134 12.693 1.00 0.00 H new ATOM 0 HA HIS A 101 1.857 -2.038 10.827 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.862 0.104 10.378 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.407 0.267 12.035 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.670 -1.092 12.736 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.477 -2.790 8.986 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.353 -2.488 11.340 1.00 0.00 H new ATOM 1568 N CYS A 102 2.472 -3.707 12.492 1.00 0.00 N ATOM 1569 CA CYS A 102 2.931 -4.807 13.343 1.00 0.00 C ATOM 1570 C CYS A 102 4.473 -4.887 13.234 1.00 0.00 C ATOM 1571 O CYS A 102 4.994 -5.424 12.249 1.00 0.00 O ATOM 1572 CB CYS A 102 2.245 -6.128 12.875 1.00 0.00 C ATOM 1573 SG CYS A 102 1.713 -7.234 14.217 1.00 0.00 S ATOM 0 H CYS A 102 2.046 -4.027 11.622 1.00 0.00 H new ATOM 0 HA CYS A 102 2.664 -4.645 14.387 1.00 0.00 H new ATOM 0 HB2 CYS A 102 1.376 -5.873 12.268 1.00 0.00 H new ATOM 0 HB3 CYS A 102 2.936 -6.670 12.230 1.00 0.00 H new ATOM 1578 N GLU A 103 5.181 -4.298 14.217 1.00 0.00 N ATOM 1579 CA GLU A 103 6.652 -4.076 14.152 1.00 0.00 C ATOM 1580 C GLU A 103 7.486 -5.388 14.132 1.00 0.00 C ATOM 1581 O GLU A 103 8.545 -5.428 13.497 1.00 0.00 O ATOM 1582 CB GLU A 103 7.128 -3.077 15.273 1.00 0.00 C ATOM 1583 CG GLU A 103 6.404 -3.158 16.644 1.00 0.00 C ATOM 1584 CD GLU A 103 6.587 -4.497 17.378 1.00 0.00 C ATOM 1585 OE1 GLU A 103 7.623 -4.688 18.041 1.00 0.00 O ATOM 1586 OE2 GLU A 103 5.702 -5.363 17.283 1.00 0.00 O ATOM 0 H GLU A 103 4.757 -3.960 15.081 1.00 0.00 H new ATOM 0 HA GLU A 103 6.846 -3.609 13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.192 -3.240 15.442 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.018 -2.062 14.891 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.769 -2.354 17.283 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.339 -2.984 16.490 1.00 0.00 H new ATOM 1593 N ASN A 104 7.004 -6.454 14.807 1.00 0.00 N ATOM 1594 CA ASN A 104 7.685 -7.781 14.801 1.00 0.00 C ATOM 1595 C ASN A 104 7.480 -8.502 13.448 1.00 0.00 C ATOM 1596 O ASN A 104 8.351 -9.250 12.996 1.00 0.00 O ATOM 1597 CB ASN A 104 7.188 -8.682 15.975 1.00 0.00 C ATOM 1598 CG ASN A 104 7.500 -8.147 17.381 1.00 0.00 C ATOM 1599 OD1 ASN A 104 6.712 -8.328 18.311 1.00 0.00 O ATOM 1600 ND2 ASN A 104 8.656 -7.522 17.561 1.00 0.00 N ATOM 0 H ASN A 104 6.149 -6.429 15.363 1.00 0.00 H new ATOM 0 HA ASN A 104 8.751 -7.601 14.940 1.00 0.00 H new ATOM 0 HB2 ASN A 104 6.110 -8.811 15.883 1.00 0.00 H new ATOM 0 HB3 ASN A 104 7.637 -9.670 15.870 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.911 -7.178 18.487 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.290 -7.386 16.774 1.00 0.00 H new ATOM 1607 N CYS A 105 6.318 -8.263 12.817 1.00 0.00 N ATOM 1608 CA CYS A 105 5.967 -8.838 11.500 1.00 0.00 C ATOM 1609 C CYS A 105 6.597 -8.033 10.349 1.00 0.00 C ATOM 1610 O CYS A 105 6.764 -8.549 9.238 1.00 0.00 O ATOM 1611 CB CYS A 105 4.431 -8.909 11.351 1.00 0.00 C ATOM 1612 SG CYS A 105 3.659 -10.160 12.421 1.00 0.00 S ATOM 0 H CYS A 105 5.590 -7.663 13.205 1.00 0.00 H new ATOM 0 HA CYS A 105 6.373 -9.848 11.446 1.00 0.00 H new ATOM 0 HB2 CYS A 105 4.006 -7.932 11.581 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.184 -9.128 10.312 1.00 0.00 H new ATOM 1617 N GLY A 106 6.909 -6.755 10.628 1.00 0.00 N ATOM 1618 CA GLY A 106 7.594 -5.880 9.662 1.00 0.00 C ATOM 1619 C GLY A 106 6.663 -5.328 8.585 1.00 0.00 C ATOM 1620 O GLY A 106 7.113 -4.714 7.613 1.00 0.00 O ATOM 0 H GLY A 106 6.696 -6.305 11.518 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.053 -5.049 10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.401 -6.437 9.185 1.00 0.00 H new ATOM 1624 N ILE A 107 5.347 -5.515 8.792 1.00 0.00 N ATOM 1625 CA ILE A 107 4.280 -5.091 7.856 1.00 0.00 C ATOM 1626 C ILE A 107 3.123 -4.461 8.646 1.00 0.00 C ATOM 1627 O ILE A 107 3.073 -4.560 9.876 1.00 0.00 O ATOM 1628 CB ILE A 107 3.720 -6.310 7.014 1.00 0.00 C ATOM 1629 CG1 ILE A 107 3.253 -7.460 7.974 1.00 0.00 C ATOM 1630 CG2 ILE A 107 4.764 -6.808 5.977 1.00 0.00 C ATOM 1631 CD1 ILE A 107 2.599 -8.646 7.294 1.00 0.00 C ATOM 0 H ILE A 107 4.985 -5.973 9.628 1.00 0.00 H new ATOM 0 HA ILE A 107 4.714 -4.367 7.167 1.00 0.00 H new ATOM 0 HB ILE A 107 2.853 -5.972 6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.117 -7.815 8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 107 2.551 -7.045 8.697 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.349 -7.645 5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 107 5.010 -5.998 5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.666 -7.131 6.496 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.313 -9.384 8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.711 -8.313 6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 107 3.301 -9.096 6.592 1.00 0.00 H new ATOM 1643 N CYS A 108 2.201 -3.804 7.927 1.00 0.00 N ATOM 1644 CA CYS A 108 0.916 -3.337 8.483 1.00 0.00 C ATOM 1645 C CYS A 108 -0.238 -4.003 7.735 1.00 0.00 C ATOM 1646 O CYS A 108 -0.092 -4.403 6.574 1.00 0.00 O ATOM 1647 CB CYS A 108 0.801 -1.788 8.444 1.00 0.00 C ATOM 1648 SG CYS A 108 1.868 -0.966 7.255 1.00 0.00 S ATOM 0 H CYS A 108 2.323 -3.579 6.940 1.00 0.00 H new ATOM 0 HA CYS A 108 0.867 -3.625 9.533 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.233 -1.523 8.223 1.00 0.00 H new ATOM 0 HB3 CYS A 108 1.025 -1.399 9.437 1.00 0.00 H new ATOM 1653 N ARG A 109 -1.380 -4.089 8.419 1.00 0.00 N ATOM 1654 CA ARG A 109 -2.561 -4.826 7.957 1.00 0.00 C ATOM 1655 C ARG A 109 -3.801 -4.042 8.418 1.00 0.00 C ATOM 1656 O ARG A 109 -3.776 -3.441 9.506 1.00 0.00 O ATOM 1657 CB ARG A 109 -2.500 -6.272 8.562 1.00 0.00 C ATOM 1658 CG ARG A 109 -3.456 -7.341 7.957 1.00 0.00 C ATOM 1659 CD ARG A 109 -4.881 -7.326 8.536 1.00 0.00 C ATOM 1660 NE ARG A 109 -5.704 -8.404 7.961 1.00 0.00 N ATOM 1661 CZ ARG A 109 -6.951 -8.725 8.339 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -7.615 -7.987 9.221 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -7.543 -9.778 7.791 1.00 0.00 N ATOM 0 H ARG A 109 -1.514 -3.641 9.326 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.602 -4.924 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.478 -6.637 8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.708 -6.200 9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -3.514 -7.189 6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.023 -8.329 8.117 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -4.837 -7.438 9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -5.348 -6.362 8.334 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.290 -8.955 7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.178 -7.159 9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.562 -8.249 9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.051 -10.333 7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.491 -10.033 8.070 1.00 0.00 H new ATOM 1677 N ILE A 110 -4.867 -4.044 7.588 1.00 0.00 N ATOM 1678 CA ILE A 110 -6.127 -3.336 7.897 1.00 0.00 C ATOM 1679 C ILE A 110 -6.779 -3.999 9.135 1.00 0.00 C ATOM 1680 O ILE A 110 -7.338 -5.103 9.042 1.00 0.00 O ATOM 1681 CB ILE A 110 -7.116 -3.325 6.659 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -6.422 -2.726 5.379 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -8.426 -2.560 6.990 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -5.969 -1.272 5.501 1.00 0.00 C ATOM 0 H ILE A 110 -4.878 -4.532 6.693 1.00 0.00 H new ATOM 0 HA ILE A 110 -5.904 -2.292 8.118 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.380 -4.360 6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.555 -3.340 5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.114 -2.804 4.541 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.083 -2.571 6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -8.927 -3.042 7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.189 -1.529 7.253 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -5.504 -0.956 4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -6.831 -0.639 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -5.248 -1.183 6.313 1.00 0.00 H new ATOM 1696 N GLY A 111 -6.657 -3.325 10.293 1.00 0.00 N ATOM 1697 CA GLY A 111 -6.974 -3.913 11.586 1.00 0.00 C ATOM 1698 C GLY A 111 -6.953 -2.857 12.668 1.00 0.00 C ATOM 1699 O GLY A 111 -5.910 -2.219 12.843 1.00 0.00 O ATOM 0 H GLY A 111 -6.335 -2.359 10.348 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.957 -4.383 11.547 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.255 -4.698 11.821 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.077 -2.646 13.424 1.00 0.00 N ATOM 1704 CA PRO A 112 -8.158 -1.582 14.439 1.00 0.00 C ATOM 1705 C PRO A 112 -7.247 -1.881 15.627 1.00 0.00 C ATOM 1706 O PRO A 112 -7.491 -2.813 16.365 1.00 0.00 O ATOM 1707 CB PRO A 112 -9.652 -1.562 14.834 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.120 -2.959 14.576 1.00 0.00 C ATOM 1709 CD PRO A 112 -9.334 -3.449 13.376 1.00 0.00 C ATOM 0 HA PRO A 112 -7.821 -0.613 14.070 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -9.783 -1.285 15.880 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.211 -0.839 14.240 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -9.945 -3.595 15.443 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.191 -2.981 14.376 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.129 -4.518 13.441 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -9.879 -3.285 12.446 1.00 0.00 H new ATOM 1717 N LYS A 113 -6.203 -1.067 15.798 1.00 0.00 N ATOM 1718 CA LYS A 113 -5.154 -1.292 16.821 1.00 0.00 C ATOM 1719 C LYS A 113 -5.732 -1.433 18.260 1.00 0.00 C ATOM 1720 O LYS A 113 -5.126 -2.082 19.123 1.00 0.00 O ATOM 1721 CB LYS A 113 -4.096 -0.161 16.740 1.00 0.00 C ATOM 1722 CG LYS A 113 -4.635 1.274 16.997 1.00 0.00 C ATOM 1723 CD LYS A 113 -3.813 2.373 16.268 1.00 0.00 C ATOM 1724 CE LYS A 113 -3.927 2.259 14.734 1.00 0.00 C ATOM 1725 NZ LYS A 113 -3.198 3.331 14.012 1.00 0.00 N ATOM 0 H LYS A 113 -6.052 -0.230 15.235 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.675 -2.246 16.602 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.309 -0.370 17.464 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.636 -0.187 15.752 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.674 1.329 16.671 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.626 1.473 18.069 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.161 3.356 16.585 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.766 2.296 16.560 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.541 1.290 14.419 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.979 2.290 14.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.991 3.017 13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.785 4.189 13.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.307 3.539 14.507 1.00 0.00 H new ATOM 1739 N GLU A 114 -6.914 -0.826 18.482 1.00 0.00 N ATOM 1740 CA GLU A 114 -7.696 -0.977 19.723 1.00 0.00 C ATOM 1741 C GLU A 114 -8.343 -2.386 19.819 1.00 0.00 C ATOM 1742 O GLU A 114 -8.299 -3.022 20.875 1.00 0.00 O ATOM 1743 CB GLU A 114 -8.780 0.144 19.841 1.00 0.00 C ATOM 1744 CG GLU A 114 -9.731 0.325 18.616 1.00 0.00 C ATOM 1745 CD GLU A 114 -9.266 1.399 17.604 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -8.446 1.088 16.713 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -9.721 2.567 17.703 1.00 0.00 O ATOM 0 H GLU A 114 -7.356 -0.212 17.798 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.007 -0.873 20.561 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.391 -0.063 20.720 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.273 1.092 20.022 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.824 -0.630 18.098 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.725 0.589 18.978 1.00 0.00 H new ATOM 1754 N ASP A 115 -8.918 -2.866 18.701 1.00 0.00 N ATOM 1755 CA ASP A 115 -9.633 -4.173 18.631 1.00 0.00 C ATOM 1756 C ASP A 115 -8.881 -5.187 17.741 1.00 0.00 C ATOM 1757 O ASP A 115 -9.499 -5.957 16.993 1.00 0.00 O ATOM 1758 CB ASP A 115 -11.089 -3.965 18.116 1.00 0.00 C ATOM 1759 CG ASP A 115 -11.986 -3.227 19.123 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -12.489 -3.875 20.068 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -12.200 -2.003 18.976 1.00 0.00 O ATOM 0 H ASP A 115 -8.905 -2.364 17.813 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.670 -4.587 19.639 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -11.061 -3.402 17.183 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -11.530 -4.936 17.889 1.00 0.00 H new ATOM 1766 N PHE A 116 -7.547 -5.206 17.863 1.00 0.00 N ATOM 1767 CA PHE A 116 -6.673 -6.131 17.107 1.00 0.00 C ATOM 1768 C PHE A 116 -5.398 -6.361 17.935 1.00 0.00 C ATOM 1769 O PHE A 116 -4.918 -5.434 18.603 1.00 0.00 O ATOM 1770 CB PHE A 116 -6.336 -5.527 15.699 1.00 0.00 C ATOM 1771 CG PHE A 116 -6.219 -6.532 14.550 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -7.347 -6.903 13.811 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -4.991 -7.081 14.184 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -7.250 -7.797 12.758 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -4.896 -7.968 13.132 1.00 0.00 C ATOM 1776 CZ PHE A 116 -6.021 -8.324 12.415 1.00 0.00 C ATOM 0 H PHE A 116 -7.037 -4.582 18.488 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.175 -7.084 16.939 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -7.107 -4.800 15.443 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -5.396 -4.981 15.775 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -8.310 -6.485 14.066 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.101 -6.808 14.732 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -8.134 -8.081 12.206 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.936 -8.386 12.868 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.940 -9.013 11.588 1.00 0.00 H new ATOM 1786 N PHE A 117 -4.858 -7.583 17.893 1.00 0.00 N ATOM 1787 CA PHE A 117 -3.656 -7.968 18.656 1.00 0.00 C ATOM 1788 C PHE A 117 -2.761 -8.872 17.799 1.00 0.00 C ATOM 1789 O PHE A 117 -3.247 -9.581 16.915 1.00 0.00 O ATOM 1790 CB PHE A 117 -4.040 -8.700 19.982 1.00 0.00 C ATOM 1791 CG PHE A 117 -4.576 -10.134 19.817 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -5.829 -10.371 19.254 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -3.816 -11.242 20.214 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -6.302 -11.658 19.092 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -4.295 -12.530 20.051 1.00 0.00 C ATOM 1796 CZ PHE A 117 -5.540 -12.737 19.492 1.00 0.00 C ATOM 0 H PHE A 117 -5.241 -8.340 17.327 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.112 -7.060 18.915 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.162 -8.731 20.627 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.794 -8.106 20.499 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.438 -9.536 18.940 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.842 -11.089 20.654 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.274 -11.821 18.650 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.695 -13.373 20.361 1.00 0.00 H new ATOM 0 HZ PHE A 117 -5.917 -13.741 19.368 1.00 0.00 H new ATOM 1806 N HIS A 118 -1.455 -8.834 18.073 1.00 0.00 N ATOM 1807 CA HIS A 118 -0.484 -9.801 17.550 1.00 0.00 C ATOM 1808 C HIS A 118 -0.271 -10.897 18.610 1.00 0.00 C ATOM 1809 O HIS A 118 -0.147 -10.594 19.801 1.00 0.00 O ATOM 1810 CB HIS A 118 0.853 -9.081 17.192 1.00 0.00 C ATOM 1811 CG HIS A 118 2.015 -10.003 16.875 1.00 0.00 C ATOM 1812 ND1 HIS A 118 2.196 -10.556 15.618 1.00 0.00 N ATOM 1813 CD2 HIS A 118 2.973 -10.481 17.712 1.00 0.00 C ATOM 1814 CE1 HIS A 118 3.236 -11.371 15.760 1.00 0.00 C ATOM 1815 NE2 HIS A 118 3.732 -11.348 16.995 1.00 0.00 N ATOM 0 H HIS A 118 -1.036 -8.122 18.672 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.858 -10.260 16.635 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.680 -8.432 16.334 1.00 0.00 H new ATOM 0 HB3 HIS A 118 1.136 -8.438 18.026 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.105 -10.220 18.752 1.00 0.00 H new ATOM 0 HE1 HIS A 118 3.634 -11.983 14.964 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.531 -11.881 17.338 1.00 0.00 H new ATOM 1823 N CYS A 119 -0.257 -12.164 18.173 1.00 0.00 N ATOM 1824 CA CYS A 119 0.066 -13.302 19.046 1.00 0.00 C ATOM 1825 C CYS A 119 1.593 -13.450 19.195 1.00 0.00 C ATOM 1826 O CYS A 119 2.278 -13.829 18.238 1.00 0.00 O ATOM 1827 CB CYS A 119 -0.511 -14.602 18.477 1.00 0.00 C ATOM 1828 SG CYS A 119 -2.310 -14.789 18.564 1.00 0.00 S ATOM 0 H CYS A 119 -0.468 -12.428 17.211 1.00 0.00 H new ATOM 0 HA CYS A 119 -0.378 -13.110 20.023 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.209 -14.682 17.433 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -0.054 -15.439 19.006 1.00 0.00 H new ATOM 1833 N LEU A 120 2.115 -13.126 20.390 1.00 0.00 N ATOM 1834 CA LEU A 120 3.548 -13.308 20.726 1.00 0.00 C ATOM 1835 C LEU A 120 3.861 -14.797 20.991 1.00 0.00 C ATOM 1836 O LEU A 120 5.020 -15.213 20.916 1.00 0.00 O ATOM 1837 CB LEU A 120 3.963 -12.449 21.969 1.00 0.00 C ATOM 1838 CG LEU A 120 3.997 -10.884 21.779 1.00 0.00 C ATOM 1839 CD1 LEU A 120 2.586 -10.276 21.607 1.00 0.00 C ATOM 1840 CD2 LEU A 120 4.760 -10.196 22.940 1.00 0.00 C ATOM 0 H LEU A 120 1.563 -12.732 21.151 1.00 0.00 H new ATOM 0 HA LEU A 120 4.128 -12.967 19.868 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.275 -12.676 22.783 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.953 -12.773 22.289 1.00 0.00 H new ATOM 0 HG LEU A 120 4.538 -10.694 20.852 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.668 -9.197 21.480 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.108 -10.709 20.729 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.986 -10.493 22.491 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.767 -9.118 22.782 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.265 -10.421 23.885 1.00 0.00 H new ATOM 0 HD23 LEU A 120 5.785 -10.565 22.971 1.00 0.00 H new ATOM 1852 N LYS A 121 2.814 -15.592 21.320 1.00 0.00 N ATOM 1853 CA LYS A 121 2.960 -17.028 21.648 1.00 0.00 C ATOM 1854 C LYS A 121 2.422 -17.962 20.539 1.00 0.00 C ATOM 1855 O LYS A 121 2.557 -19.188 20.660 1.00 0.00 O ATOM 1856 CB LYS A 121 2.261 -17.336 22.999 1.00 0.00 C ATOM 1857 CG LYS A 121 2.806 -16.535 24.208 1.00 0.00 C ATOM 1858 CD LYS A 121 2.252 -17.041 25.566 1.00 0.00 C ATOM 1859 CE LYS A 121 2.694 -18.484 25.873 1.00 0.00 C ATOM 1860 NZ LYS A 121 2.195 -18.964 27.186 1.00 0.00 N ATOM 0 H LYS A 121 1.852 -15.257 21.365 1.00 0.00 H new ATOM 0 HA LYS A 121 4.028 -17.228 21.729 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.195 -17.132 22.896 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.362 -18.400 23.210 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.894 -16.598 24.219 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.549 -15.483 24.086 1.00 0.00 H new ATOM 0 HD2 LYS A 121 2.592 -16.381 26.364 1.00 0.00 H new ATOM 0 HD3 LYS A 121 1.163 -16.991 25.554 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.333 -19.146 25.086 1.00 0.00 H new ATOM 0 HE3 LYS A 121 3.783 -18.538 25.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.519 -19.939 27.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 2.560 -18.350 27.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.155 -18.940 27.192 1.00 0.00 H new ATOM 1874 N CYS A 122 1.814 -17.396 19.469 1.00 0.00 N ATOM 1875 CA CYS A 122 1.332 -18.189 18.304 1.00 0.00 C ATOM 1876 C CYS A 122 1.094 -17.312 17.054 1.00 0.00 C ATOM 1877 O CYS A 122 -0.037 -17.191 16.574 1.00 0.00 O ATOM 1878 CB CYS A 122 0.079 -19.064 18.665 1.00 0.00 C ATOM 1879 SG CYS A 122 -1.198 -18.249 19.686 1.00 0.00 S ATOM 0 H CYS A 122 1.644 -16.394 19.385 1.00 0.00 H new ATOM 0 HA CYS A 122 2.133 -18.881 18.045 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -0.385 -19.399 17.737 1.00 0.00 H new ATOM 0 HB3 CYS A 122 0.422 -19.955 19.190 1.00 0.00 H new ATOM 1884 N ASN A 123 2.181 -16.644 16.607 1.00 0.00 N ATOM 1885 CA ASN A 123 2.330 -16.022 15.257 1.00 0.00 C ATOM 1886 C ASN A 123 1.223 -14.994 14.879 1.00 0.00 C ATOM 1887 O ASN A 123 1.405 -13.780 15.049 1.00 0.00 O ATOM 1888 CB ASN A 123 2.440 -17.127 14.155 1.00 0.00 C ATOM 1889 CG ASN A 123 3.610 -18.096 14.354 1.00 0.00 C ATOM 1890 OD1 ASN A 123 4.653 -17.729 14.894 1.00 0.00 O ATOM 1891 ND2 ASN A 123 3.445 -19.341 13.917 1.00 0.00 N ATOM 0 H ASN A 123 3.009 -16.515 17.188 1.00 0.00 H new ATOM 0 HA ASN A 123 3.253 -15.445 15.311 1.00 0.00 H new ATOM 0 HB2 ASN A 123 1.511 -17.696 14.133 1.00 0.00 H new ATOM 0 HB3 ASN A 123 2.542 -16.646 13.182 1.00 0.00 H new ATOM 0 HD21 ASN A 123 4.196 -20.023 14.025 1.00 0.00 H new ATOM 0 HD22 ASN A 123 2.568 -19.614 13.474 1.00 0.00 H new ATOM 1898 N LEU A 124 0.073 -15.520 14.392 1.00 0.00 N ATOM 1899 CA LEU A 124 -0.987 -14.752 13.691 1.00 0.00 C ATOM 1900 C LEU A 124 -1.518 -13.553 14.511 1.00 0.00 C ATOM 1901 O LEU A 124 -1.626 -13.617 15.737 1.00 0.00 O ATOM 1902 CB LEU A 124 -2.163 -15.708 13.327 1.00 0.00 C ATOM 1903 CG LEU A 124 -3.303 -15.112 12.432 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -2.761 -14.650 11.061 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -4.464 -16.120 12.257 1.00 0.00 C ATOM 0 H LEU A 124 -0.149 -16.512 14.477 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.537 -14.335 12.790 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.749 -16.578 12.817 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.610 -16.066 14.254 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.696 -14.235 12.946 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.578 -14.242 10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.002 -13.882 11.210 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.321 -15.499 10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.239 -15.677 11.631 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.090 -17.027 11.783 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.882 -16.366 13.233 1.00 0.00 H new ATOM 1917 N CYS A 125 -1.839 -12.462 13.807 1.00 0.00 N ATOM 1918 CA CYS A 125 -2.431 -11.253 14.391 1.00 0.00 C ATOM 1919 C CYS A 125 -3.946 -11.280 14.101 1.00 0.00 C ATOM 1920 O CYS A 125 -4.343 -11.271 12.930 1.00 0.00 O ATOM 1921 CB CYS A 125 -1.745 -9.990 13.783 1.00 0.00 C ATOM 1922 SG CYS A 125 -0.186 -10.360 12.906 1.00 0.00 S ATOM 0 H CYS A 125 -1.693 -12.393 12.800 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.277 -11.218 15.470 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -2.436 -9.508 13.092 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -1.543 -9.276 14.581 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.785 -11.338 15.157 1.00 0.00 N ATOM 1928 CA LEU A 126 -6.257 -11.491 15.015 1.00 0.00 C ATOM 1929 C LEU A 126 -6.997 -10.322 15.677 1.00 0.00 C ATOM 1930 O LEU A 126 -6.373 -9.382 16.161 1.00 0.00 O ATOM 1931 CB LEU A 126 -6.740 -12.843 15.620 1.00 0.00 C ATOM 1932 CG LEU A 126 -5.948 -14.125 15.176 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -4.764 -14.431 16.123 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -6.869 -15.347 15.015 1.00 0.00 C ATOM 0 H LEU A 126 -4.469 -11.281 16.125 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.487 -11.488 13.950 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.691 -12.769 16.706 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.789 -12.980 15.357 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.529 -13.906 14.194 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.244 -15.325 15.779 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.073 -13.588 16.126 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.139 -14.596 17.133 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.278 -16.210 14.707 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.358 -15.562 15.965 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.625 -15.136 14.258 1.00 0.00 H new ATOM 1946 N ALA A 127 -8.337 -10.406 15.699 1.00 0.00 N ATOM 1947 CA ALA A 127 -9.213 -9.352 16.253 1.00 0.00 C ATOM 1948 C ALA A 127 -9.506 -9.598 17.747 1.00 0.00 C ATOM 1949 O ALA A 127 -9.313 -10.711 18.250 1.00 0.00 O ATOM 1950 CB ALA A 127 -10.518 -9.273 15.450 1.00 0.00 C ATOM 0 H ALA A 127 -8.849 -11.209 15.332 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.692 -8.398 16.171 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -11.155 -8.493 15.867 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -10.292 -9.039 14.410 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -11.036 -10.231 15.502 1.00 0.00 H new ATOM 1956 N MET A 128 -9.977 -8.540 18.434 1.00 0.00 N ATOM 1957 CA MET A 128 -10.431 -8.597 19.845 1.00 0.00 C ATOM 1958 C MET A 128 -11.611 -9.583 19.993 1.00 0.00 C ATOM 1959 O MET A 128 -11.725 -10.312 20.983 1.00 0.00 O ATOM 1960 CB MET A 128 -10.852 -7.178 20.305 1.00 0.00 C ATOM 1961 CG MET A 128 -11.087 -7.006 21.815 1.00 0.00 C ATOM 1962 SD MET A 128 -9.594 -7.283 22.806 1.00 0.00 S ATOM 1963 CE MET A 128 -8.434 -6.114 22.088 1.00 0.00 C ATOM 0 H MET A 128 -10.056 -7.609 18.024 1.00 0.00 H new ATOM 0 HA MET A 128 -9.613 -8.951 20.472 1.00 0.00 H new ATOM 0 HB2 MET A 128 -10.082 -6.472 19.994 1.00 0.00 H new ATOM 0 HB3 MET A 128 -11.767 -6.903 19.780 1.00 0.00 H new ATOM 0 HG2 MET A 128 -11.460 -6.000 22.006 1.00 0.00 H new ATOM 0 HG3 MET A 128 -11.863 -7.700 22.137 1.00 0.00 H new ATOM 0 HE1 MET A 128 -7.566 -6.015 22.740 1.00 0.00 H new ATOM 0 HE2 MET A 128 -8.114 -6.473 21.110 1.00 0.00 H new ATOM 0 HE3 MET A 128 -8.917 -5.143 21.977 1.00 0.00 H new ATOM 1973 N ASN A 129 -12.464 -9.595 18.957 1.00 0.00 N ATOM 1974 CA ASN A 129 -13.632 -10.489 18.857 1.00 0.00 C ATOM 1975 C ASN A 129 -13.210 -11.953 18.594 1.00 0.00 C ATOM 1976 O ASN A 129 -13.972 -12.881 18.868 1.00 0.00 O ATOM 1977 CB ASN A 129 -14.556 -9.999 17.707 1.00 0.00 C ATOM 1978 CG ASN A 129 -15.050 -8.562 17.907 1.00 0.00 C ATOM 1979 OD1 ASN A 129 -14.393 -7.603 17.492 1.00 0.00 O ATOM 1980 ND2 ASN A 129 -16.199 -8.402 18.544 1.00 0.00 N ATOM 0 H ASN A 129 -12.362 -8.976 18.153 1.00 0.00 H new ATOM 0 HA ASN A 129 -14.164 -10.460 19.808 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -14.016 -10.064 16.762 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -15.415 -10.665 17.630 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -16.567 -7.464 18.705 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -16.717 -9.216 18.874 1.00 0.00 H new ATOM 1987 N LEU A 130 -11.981 -12.136 18.083 1.00 0.00 N ATOM 1988 CA LEU A 130 -11.479 -13.437 17.593 1.00 0.00 C ATOM 1989 C LEU A 130 -10.385 -14.004 18.538 1.00 0.00 C ATOM 1990 O LEU A 130 -9.768 -15.041 18.253 1.00 0.00 O ATOM 1991 CB LEU A 130 -10.949 -13.228 16.144 1.00 0.00 C ATOM 1992 CG LEU A 130 -10.568 -14.511 15.339 1.00 0.00 C ATOM 1993 CD1 LEU A 130 -11.711 -15.544 15.366 1.00 0.00 C ATOM 1994 CD2 LEU A 130 -10.159 -14.158 13.890 1.00 0.00 C ATOM 0 H LEU A 130 -11.300 -11.381 17.996 1.00 0.00 H new ATOM 0 HA LEU A 130 -12.281 -14.175 17.582 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -11.708 -12.687 15.580 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -10.070 -12.585 16.194 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.704 -14.966 15.823 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.417 -16.426 14.798 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -11.919 -15.829 16.397 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -12.606 -15.108 14.922 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -9.899 -15.070 13.353 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.991 -13.665 13.387 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.298 -13.489 13.908 1.00 0.00 H new ATOM 2006 N GLN A 131 -10.190 -13.326 19.676 1.00 0.00 N ATOM 2007 CA GLN A 131 -9.206 -13.703 20.707 1.00 0.00 C ATOM 2008 C GLN A 131 -9.391 -15.147 21.215 1.00 0.00 C ATOM 2009 O GLN A 131 -8.434 -15.915 21.264 1.00 0.00 O ATOM 2010 CB GLN A 131 -9.310 -12.725 21.902 1.00 0.00 C ATOM 2011 CG GLN A 131 -8.648 -11.353 21.678 1.00 0.00 C ATOM 2012 CD GLN A 131 -8.646 -10.440 22.911 1.00 0.00 C ATOM 2013 OE1 GLN A 131 -7.700 -9.682 23.124 1.00 0.00 O ATOM 2014 NE2 GLN A 131 -9.714 -10.457 23.700 1.00 0.00 N ATOM 0 H GLN A 131 -10.718 -12.486 19.913 1.00 0.00 H new ATOM 0 HA GLN A 131 -8.221 -13.647 20.243 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -10.363 -12.570 22.135 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -8.856 -13.193 22.776 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -7.619 -11.509 21.355 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -9.164 -10.843 20.864 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -10.485 -11.095 23.501 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -9.764 -9.832 24.505 1.00 0.00 H new ATOM 2023 N GLY A 132 -10.630 -15.487 21.593 1.00 0.00 N ATOM 2024 CA GLY A 132 -10.940 -16.790 22.195 1.00 0.00 C ATOM 2025 C GLY A 132 -11.082 -17.919 21.178 1.00 0.00 C ATOM 2026 O GLY A 132 -11.271 -19.077 21.561 1.00 0.00 O ATOM 0 H GLY A 132 -11.438 -14.873 21.492 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -10.154 -17.049 22.904 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -11.866 -16.706 22.763 1.00 0.00 H new ATOM 2030 N ARG A 133 -11.007 -17.581 19.876 1.00 0.00 N ATOM 2031 CA ARG A 133 -11.176 -18.548 18.768 1.00 0.00 C ATOM 2032 C ARG A 133 -9.941 -18.531 17.842 1.00 0.00 C ATOM 2033 O ARG A 133 -10.023 -19.004 16.702 1.00 0.00 O ATOM 2034 CB ARG A 133 -12.463 -18.223 17.933 1.00 0.00 C ATOM 2035 CG ARG A 133 -13.810 -18.200 18.712 1.00 0.00 C ATOM 2036 CD ARG A 133 -14.064 -16.882 19.465 1.00 0.00 C ATOM 2037 NE ARG A 133 -15.277 -16.944 20.296 1.00 0.00 N ATOM 2038 CZ ARG A 133 -15.955 -15.883 20.765 1.00 0.00 C ATOM 2039 NH1 ARG A 133 -15.627 -14.643 20.419 1.00 0.00 N ATOM 2040 NH2 ARG A 133 -16.992 -16.079 21.564 1.00 0.00 N ATOM 0 H ARG A 133 -10.827 -16.628 19.560 1.00 0.00 H new ATOM 0 HA ARG A 133 -11.283 -19.541 19.205 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -12.326 -17.251 17.460 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -12.545 -18.958 17.132 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -14.628 -18.372 18.012 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -13.822 -19.024 19.425 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -13.205 -16.654 20.095 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -14.158 -16.067 18.747 1.00 0.00 H new ATOM 0 HE ARG A 133 -15.633 -17.869 20.536 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -14.845 -14.481 19.784 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -16.157 -13.853 20.788 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -17.269 -17.028 21.817 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -17.515 -15.281 21.926 1.00 0.00 H new ATOM 2054 N HIS A 134 -8.792 -17.999 18.343 1.00 0.00 N ATOM 2055 CA HIS A 134 -7.574 -17.798 17.524 1.00 0.00 C ATOM 2056 C HIS A 134 -6.962 -19.127 17.010 1.00 0.00 C ATOM 2057 O HIS A 134 -6.147 -19.765 17.686 1.00 0.00 O ATOM 2058 CB HIS A 134 -6.509 -16.919 18.269 1.00 0.00 C ATOM 2059 CG HIS A 134 -5.933 -17.456 19.565 1.00 0.00 C ATOM 2060 ND1 HIS A 134 -4.619 -17.191 19.938 1.00 0.00 N ATOM 2061 CD2 HIS A 134 -6.548 -18.121 20.582 1.00 0.00 C ATOM 2062 CE1 HIS A 134 -4.513 -17.677 21.157 1.00 0.00 C ATOM 2063 NE2 HIS A 134 -5.638 -18.249 21.582 1.00 0.00 N ATOM 0 H HIS A 134 -8.689 -17.702 19.314 1.00 0.00 H new ATOM 0 HA HIS A 134 -7.893 -17.248 16.639 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -5.681 -16.742 17.582 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -6.962 -15.950 18.479 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -7.567 -18.479 20.591 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -3.611 -17.618 21.748 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -5.788 -18.698 22.486 1.00 0.00 H new ATOM 2071 N LYS A 135 -7.403 -19.561 15.809 1.00 0.00 N ATOM 2072 CA LYS A 135 -6.835 -20.740 15.140 1.00 0.00 C ATOM 2073 C LYS A 135 -5.550 -20.312 14.408 1.00 0.00 C ATOM 2074 O LYS A 135 -5.581 -19.856 13.254 1.00 0.00 O ATOM 2075 CB LYS A 135 -7.856 -21.401 14.175 1.00 0.00 C ATOM 2076 CG LYS A 135 -7.359 -22.741 13.563 1.00 0.00 C ATOM 2077 CD LYS A 135 -8.400 -23.416 12.635 1.00 0.00 C ATOM 2078 CE LYS A 135 -9.694 -23.817 13.366 1.00 0.00 C ATOM 2079 NZ LYS A 135 -9.457 -24.818 14.438 1.00 0.00 N ATOM 0 H LYS A 135 -8.152 -19.108 15.286 1.00 0.00 H new ATOM 0 HA LYS A 135 -6.592 -21.499 15.884 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -8.787 -21.580 14.712 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -8.083 -20.705 13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -6.445 -22.557 12.998 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -7.103 -23.428 14.370 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -8.647 -22.735 11.820 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -7.955 -24.303 12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -10.153 -22.928 13.799 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -10.403 -24.223 12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -10.367 -25.104 14.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -8.982 -25.651 14.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -8.856 -24.400 15.177 1.00 0.00 H new ATOM 2093 N CYS A 136 -4.428 -20.401 15.132 1.00 0.00 N ATOM 2094 CA CYS A 136 -3.121 -19.930 14.666 1.00 0.00 C ATOM 2095 C CYS A 136 -2.262 -21.126 14.221 1.00 0.00 C ATOM 2096 O CYS A 136 -1.594 -21.770 15.038 1.00 0.00 O ATOM 2097 CB CYS A 136 -2.443 -19.132 15.795 1.00 0.00 C ATOM 2098 SG CYS A 136 -3.512 -17.835 16.514 1.00 0.00 S ATOM 0 H CYS A 136 -4.403 -20.807 16.068 1.00 0.00 H new ATOM 0 HA CYS A 136 -3.242 -19.273 13.804 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -2.139 -19.820 16.584 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -1.535 -18.670 15.408 1.00 0.00 H new ATOM 2103 N ILE A 137 -2.360 -21.460 12.924 1.00 0.00 N ATOM 2104 CA ILE A 137 -1.583 -22.536 12.284 1.00 0.00 C ATOM 2105 C ILE A 137 -0.769 -21.911 11.123 1.00 0.00 C ATOM 2106 O ILE A 137 0.462 -21.753 11.258 1.00 0.00 O ATOM 2107 CB ILE A 137 -2.524 -23.700 11.764 1.00 0.00 C ATOM 2108 CG1 ILE A 137 -3.424 -24.253 12.925 1.00 0.00 C ATOM 2109 CG2 ILE A 137 -1.690 -24.837 11.109 1.00 0.00 C ATOM 2110 CD1 ILE A 137 -4.415 -25.338 12.525 1.00 0.00 C ATOM 2111 OXT ILE A 137 -1.378 -21.514 10.103 1.00 0.00 O ATOM 0 H ILE A 137 -2.991 -20.983 12.280 1.00 0.00 H new ATOM 0 HA ILE A 137 -0.909 -22.988 13.012 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.182 -23.287 11.000 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.776 -24.648 13.707 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -3.978 -23.421 13.360 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.359 -25.624 10.760 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -1.129 -24.437 10.265 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -0.997 -25.249 11.843 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -4.986 -25.650 13.400 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -5.095 -24.948 11.768 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -3.874 -26.194 12.121 1.00 0.00 H new TER 2123 ILE A 137 HETATM 2124 ZN ZN A 138 4.772 -7.860 -13.052 1.00 0.00 ZN HETATM 2125 ZN ZN A 139 -7.527 -3.067 -5.880 1.00 0.00 ZN HETATM 2126 ZN ZN A 140 -0.485 15.326 -8.610 1.00 0.00 ZN HETATM 2127 ZN ZN A 141 4.190 -0.912 7.668 1.00 0.00 ZN HETATM 2128 ZN ZN A 142 1.835 -9.560 13.807 1.00 0.00 ZN HETATM 2129 ZN ZN A 143 -2.949 -17.029 18.659 1.00 0.00 ZN