USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=23 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 Set 1.1: A 64 ASN : amide:sc= 0.0208 X(o=-0.38,f=-0.87) USER MOD Set 1.2: A 80 THR OG1 : rot 58:sc= -0.399! USER MOD Set 2.1: A 46 ASN : amide:sc= -0.0111 X(o=0.42,f=0.44) USER MOD Set 2.2: A 47 ASN : amide:sc= 0.434 X(o=0.42,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 30:sc=-0.00794 USER MOD Single : A 27 CYS SG : rot -159:sc= 0.897 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 0.342 (180deg=0.245) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc=-0.00439 (180deg=-0.111) USER MOD Single : A 38 TYR OH : rot 180:sc=-0.00233 USER MOD Single : A 39 THR OG1 : rot -71:sc= -0.661 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN :FLIP amide:sc= -2.24 F(o=-2.8,f=-2.2) USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 0.59 (180deg=0.565) USER MOD Single : A 69 GLN : amide:sc= -0.313 K(o=-0.31,f=-3.6!) USER MOD Single : A 70 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.74) USER MOD Single : A 72 GLN : amide:sc= 0.707 K(o=0.71,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.43) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -7:sc= 0.657 USER MOD Single : A 85 TYR OH : rot 0:sc= 0.196 USER MOD Single : A 86 TYR OH : rot 165:sc= -0.0409 USER MOD Single : A 91 HIS : no HD1:sc= -0.574 X(o=-0.57,f=-1) USER MOD Single : A 95 LYS NZ :NH3+ -114:sc= 0.0265 (180deg=-1.35) USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0.718 (180deg=0.641) USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= 0.607 (180deg=0.373) USER MOD Single : A 99 GLN : amide:sc= -0.073 X(o=-0.073,f=0) USER MOD Single : A 100 TYR OH : rot -58:sc= 0.821 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 161:sc= 0.0802 (180deg=0.019) USER MOD Single : A 121 LYS NZ :NH3+ -103:sc= -0.528 (180deg=-2.46!) USER MOD Single : A 123 ASN : amide:sc= -0.0734 K(o=-0.073,f=-2!) USER MOD Single : A 128 MET CE :methyl -172:sc= 0 (180deg=-0.14) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 135 LYS NZ :NH3+ 136:sc= 0.835 (180deg=0.0757) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -39.090 24.545 -47.841 1.00 0.00 N ATOM 2 CA MET A 1 -38.080 25.318 -47.077 1.00 0.00 C ATOM 3 C MET A 1 -36.824 24.457 -46.867 1.00 0.00 C ATOM 4 O MET A 1 -36.889 23.414 -46.205 1.00 0.00 O ATOM 5 CB MET A 1 -38.670 25.784 -45.712 1.00 0.00 C ATOM 6 CG MET A 1 -37.691 26.561 -44.813 1.00 0.00 C ATOM 7 SD MET A 1 -38.435 27.081 -43.251 1.00 0.00 S ATOM 8 CE MET A 1 -37.049 27.861 -42.423 1.00 0.00 C ATOM 0 H1 MET A 1 -39.939 25.128 -47.983 1.00 0.00 H new ATOM 0 H2 MET A 1 -38.696 24.277 -48.765 1.00 0.00 H new ATOM 0 H3 MET A 1 -39.344 23.687 -47.311 1.00 0.00 H new ATOM 0 HA MET A 1 -37.804 26.208 -47.643 1.00 0.00 H new ATOM 0 HB2 MET A 1 -39.540 26.412 -45.904 1.00 0.00 H new ATOM 0 HB3 MET A 1 -39.023 24.908 -45.168 1.00 0.00 H new ATOM 0 HG2 MET A 1 -36.822 25.937 -44.606 1.00 0.00 H new ATOM 0 HG3 MET A 1 -37.332 27.439 -45.349 1.00 0.00 H new ATOM 0 HE1 MET A 1 -37.368 28.227 -41.447 1.00 0.00 H new ATOM 0 HE2 MET A 1 -36.247 27.135 -42.294 1.00 0.00 H new ATOM 0 HE3 MET A 1 -36.689 28.696 -43.024 1.00 0.00 H new ATOM 20 N ALA A 2 -35.697 24.883 -47.468 1.00 0.00 N ATOM 21 CA ALA A 2 -34.396 24.220 -47.301 1.00 0.00 C ATOM 22 C ALA A 2 -33.855 24.493 -45.883 1.00 0.00 C ATOM 23 O ALA A 2 -33.344 25.587 -45.600 1.00 0.00 O ATOM 24 CB ALA A 2 -33.406 24.689 -48.385 1.00 0.00 C ATOM 0 H ALA A 2 -35.666 25.697 -48.082 1.00 0.00 H new ATOM 0 HA ALA A 2 -34.521 23.144 -47.419 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -32.449 24.187 -48.245 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -33.803 24.445 -49.370 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -33.265 25.767 -48.307 1.00 0.00 H new ATOM 30 N ALA A 3 -34.037 23.509 -44.991 1.00 0.00 N ATOM 31 CA ALA A 3 -33.613 23.596 -43.591 1.00 0.00 C ATOM 32 C ALA A 3 -32.078 23.503 -43.498 1.00 0.00 C ATOM 33 O ALA A 3 -31.513 22.400 -43.469 1.00 0.00 O ATOM 34 CB ALA A 3 -34.298 22.496 -42.762 1.00 0.00 C ATOM 0 H ALA A 3 -34.487 22.624 -45.225 1.00 0.00 H new ATOM 0 HA ALA A 3 -33.915 24.559 -43.180 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -33.976 22.570 -41.723 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -35.380 22.620 -42.816 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -34.024 21.518 -43.158 1.00 0.00 H new ATOM 40 N THR A 4 -31.415 24.668 -43.528 1.00 0.00 N ATOM 41 CA THR A 4 -29.954 24.759 -43.440 1.00 0.00 C ATOM 42 C THR A 4 -29.475 24.398 -42.015 1.00 0.00 C ATOM 43 O THR A 4 -29.966 24.951 -41.020 1.00 0.00 O ATOM 44 CB THR A 4 -29.437 26.176 -43.881 1.00 0.00 C ATOM 45 OG1 THR A 4 -28.009 26.262 -43.734 1.00 0.00 O ATOM 46 CG2 THR A 4 -30.112 27.334 -43.115 1.00 0.00 C ATOM 0 H THR A 4 -31.878 25.573 -43.614 1.00 0.00 H new ATOM 0 HA THR A 4 -29.527 24.035 -44.134 1.00 0.00 H new ATOM 0 HB THR A 4 -29.708 26.286 -44.931 1.00 0.00 H new ATOM 0 HG1 THR A 4 -27.704 27.150 -44.015 1.00 0.00 H new ATOM 0 HG21 THR A 4 -29.711 28.285 -43.466 1.00 0.00 H new ATOM 0 HG22 THR A 4 -31.188 27.307 -43.289 1.00 0.00 H new ATOM 0 HG23 THR A 4 -29.914 27.229 -42.048 1.00 0.00 H new ATOM 54 N ALA A 5 -28.549 23.421 -41.934 1.00 0.00 N ATOM 55 CA ALA A 5 -27.990 22.933 -40.659 1.00 0.00 C ATOM 56 C ALA A 5 -26.978 23.948 -40.092 1.00 0.00 C ATOM 57 O ALA A 5 -26.263 24.613 -40.854 1.00 0.00 O ATOM 58 CB ALA A 5 -27.341 21.553 -40.861 1.00 0.00 C ATOM 0 H ALA A 5 -28.168 22.948 -42.753 1.00 0.00 H new ATOM 0 HA ALA A 5 -28.797 22.827 -39.934 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -26.931 21.201 -39.914 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -28.091 20.847 -41.216 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -26.540 21.632 -41.596 1.00 0.00 H new ATOM 64 N ARG A 6 -26.930 24.069 -38.756 1.00 0.00 N ATOM 65 CA ARG A 6 -26.092 25.068 -38.065 1.00 0.00 C ATOM 66 C ARG A 6 -24.683 24.513 -37.782 1.00 0.00 C ATOM 67 O ARG A 6 -23.674 25.160 -38.084 1.00 0.00 O ATOM 68 CB ARG A 6 -26.770 25.485 -36.725 1.00 0.00 C ATOM 69 CG ARG A 6 -26.020 26.578 -35.924 1.00 0.00 C ATOM 70 CD ARG A 6 -26.060 27.957 -36.606 1.00 0.00 C ATOM 71 NE ARG A 6 -27.423 28.516 -36.604 1.00 0.00 N ATOM 72 CZ ARG A 6 -27.858 29.525 -37.371 1.00 0.00 C ATOM 73 NH1 ARG A 6 -27.076 30.094 -38.282 1.00 0.00 N ATOM 74 NH2 ARG A 6 -29.099 29.951 -37.231 1.00 0.00 N ATOM 0 H ARG A 6 -27.470 23.479 -38.123 1.00 0.00 H new ATOM 0 HA ARG A 6 -25.992 25.937 -38.715 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -27.778 25.841 -36.940 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -26.872 24.601 -36.096 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -26.459 26.658 -34.930 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -24.982 26.275 -35.790 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -25.384 28.640 -36.091 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -25.703 27.868 -37.632 1.00 0.00 H new ATOM 0 HE ARG A 6 -28.096 28.098 -35.961 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -26.119 29.764 -38.411 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -27.432 30.861 -38.853 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -29.714 29.513 -36.545 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -29.443 30.718 -37.808 1.00 0.00 H new ATOM 88 N GLU A 7 -24.637 23.296 -37.225 1.00 0.00 N ATOM 89 CA GLU A 7 -23.443 22.762 -36.535 1.00 0.00 C ATOM 90 C GLU A 7 -23.327 21.232 -36.699 1.00 0.00 C ATOM 91 O GLU A 7 -24.192 20.592 -37.315 1.00 0.00 O ATOM 92 CB GLU A 7 -23.550 23.153 -35.033 1.00 0.00 C ATOM 93 CG GLU A 7 -24.845 22.647 -34.356 1.00 0.00 C ATOM 94 CD GLU A 7 -25.106 23.269 -32.978 1.00 0.00 C ATOM 95 OE1 GLU A 7 -24.604 22.742 -31.966 1.00 0.00 O ATOM 96 OE2 GLU A 7 -25.829 24.291 -32.905 1.00 0.00 O ATOM 0 H GLU A 7 -25.425 22.648 -37.237 1.00 0.00 H new ATOM 0 HA GLU A 7 -22.542 23.188 -36.977 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -22.689 22.751 -34.499 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -23.503 24.238 -34.944 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -25.692 22.861 -35.007 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -24.790 21.563 -34.251 1.00 0.00 H new ATOM 103 N ASP A 8 -22.228 20.671 -36.148 1.00 0.00 N ATOM 104 CA ASP A 8 -21.971 19.219 -36.104 1.00 0.00 C ATOM 105 C ASP A 8 -20.789 18.933 -35.158 1.00 0.00 C ATOM 106 O ASP A 8 -19.649 19.309 -35.464 1.00 0.00 O ATOM 107 CB ASP A 8 -21.667 18.658 -37.522 1.00 0.00 C ATOM 108 CG ASP A 8 -21.431 17.134 -37.539 1.00 0.00 C ATOM 109 OD1 ASP A 8 -22.419 16.369 -37.553 1.00 0.00 O ATOM 110 OD2 ASP A 8 -20.259 16.693 -37.531 1.00 0.00 O ATOM 0 H ASP A 8 -21.487 21.223 -35.717 1.00 0.00 H new ATOM 0 HA ASP A 8 -22.867 18.722 -35.732 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -22.498 18.897 -38.185 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -20.786 19.159 -37.922 1.00 0.00 H new ATOM 115 N GLY A 9 -21.066 18.288 -34.009 1.00 0.00 N ATOM 116 CA GLY A 9 -20.021 17.867 -33.062 1.00 0.00 C ATOM 117 C GLY A 9 -20.287 18.336 -31.637 1.00 0.00 C ATOM 118 O GLY A 9 -21.423 18.219 -31.154 1.00 0.00 O ATOM 0 H GLY A 9 -22.012 18.047 -33.715 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -19.945 16.780 -33.073 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -19.059 18.257 -33.394 1.00 0.00 H new ATOM 122 N ALA A 10 -19.229 18.879 -30.987 1.00 0.00 N ATOM 123 CA ALA A 10 -19.221 19.294 -29.557 1.00 0.00 C ATOM 124 C ALA A 10 -19.379 18.069 -28.623 1.00 0.00 C ATOM 125 O ALA A 10 -20.037 18.135 -27.578 1.00 0.00 O ATOM 126 CB ALA A 10 -20.274 20.399 -29.279 1.00 0.00 C ATOM 0 H ALA A 10 -18.336 19.046 -31.450 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.249 19.736 -29.337 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.240 20.677 -28.226 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.055 21.273 -29.892 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -21.268 20.024 -29.523 1.00 0.00 H new ATOM 132 N THR A 11 -18.722 16.960 -29.009 1.00 0.00 N ATOM 133 CA THR A 11 -18.749 15.678 -28.272 1.00 0.00 C ATOM 134 C THR A 11 -17.315 15.278 -27.842 1.00 0.00 C ATOM 135 O THR A 11 -16.334 15.677 -28.484 1.00 0.00 O ATOM 136 CB THR A 11 -19.402 14.549 -29.151 1.00 0.00 C ATOM 137 OG1 THR A 11 -19.544 13.337 -28.391 1.00 0.00 O ATOM 138 CG2 THR A 11 -18.602 14.251 -30.436 1.00 0.00 C ATOM 0 H THR A 11 -18.149 16.926 -29.852 1.00 0.00 H new ATOM 0 HA THR A 11 -19.356 15.803 -27.376 1.00 0.00 H new ATOM 0 HB THR A 11 -20.381 14.923 -29.450 1.00 0.00 H new ATOM 0 HG1 THR A 11 -19.953 12.645 -28.952 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.101 13.464 -31.001 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.543 15.153 -31.045 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.596 13.925 -30.171 1.00 0.00 H new ATOM 146 N GLY A 12 -17.207 14.514 -26.734 1.00 0.00 N ATOM 147 CA GLY A 12 -15.920 13.981 -26.250 1.00 0.00 C ATOM 148 C GLY A 12 -15.641 14.404 -24.811 1.00 0.00 C ATOM 149 O GLY A 12 -15.092 15.486 -24.577 1.00 0.00 O ATOM 0 H GLY A 12 -18.005 14.252 -26.155 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.929 12.893 -26.314 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.115 14.332 -26.895 1.00 0.00 H new ATOM 153 N GLU A 13 -16.028 13.545 -23.846 1.00 0.00 N ATOM 154 CA GLU A 13 -15.882 13.818 -22.397 1.00 0.00 C ATOM 155 C GLU A 13 -15.778 12.497 -21.604 1.00 0.00 C ATOM 156 O GLU A 13 -16.251 11.448 -22.057 1.00 0.00 O ATOM 157 CB GLU A 13 -17.092 14.655 -21.878 1.00 0.00 C ATOM 158 CG GLU A 13 -18.476 13.995 -22.098 1.00 0.00 C ATOM 159 CD GLU A 13 -19.636 14.780 -21.461 1.00 0.00 C ATOM 160 OE1 GLU A 13 -20.097 15.778 -22.060 1.00 0.00 O ATOM 161 OE2 GLU A 13 -20.093 14.402 -20.361 1.00 0.00 O ATOM 0 H GLU A 13 -16.452 12.639 -24.048 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.966 14.389 -22.247 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.958 14.840 -20.812 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.084 15.626 -22.374 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.658 13.898 -23.168 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.459 12.987 -21.684 1.00 0.00 H new ATOM 168 N GLU A 14 -15.151 12.569 -20.418 1.00 0.00 N ATOM 169 CA GLU A 14 -15.070 11.452 -19.454 1.00 0.00 C ATOM 170 C GLU A 14 -15.155 12.000 -18.013 1.00 0.00 C ATOM 171 O GLU A 14 -14.993 13.207 -17.795 1.00 0.00 O ATOM 172 CB GLU A 14 -13.799 10.574 -19.709 1.00 0.00 C ATOM 173 CG GLU A 14 -12.453 11.323 -19.883 1.00 0.00 C ATOM 174 CD GLU A 14 -11.894 11.939 -18.589 1.00 0.00 C ATOM 175 OE1 GLU A 14 -11.366 11.186 -17.747 1.00 0.00 O ATOM 176 OE2 GLU A 14 -11.987 13.172 -18.406 1.00 0.00 O ATOM 0 H GLU A 14 -14.679 13.414 -20.095 1.00 0.00 H new ATOM 0 HA GLU A 14 -15.921 10.785 -19.597 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.695 9.878 -18.877 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.973 9.977 -20.604 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.716 10.630 -20.289 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.585 12.115 -20.620 1.00 0.00 H new ATOM 183 N ARG A 15 -15.423 11.118 -17.038 1.00 0.00 N ATOM 184 CA ARG A 15 -15.728 11.529 -15.647 1.00 0.00 C ATOM 185 C ARG A 15 -14.446 11.680 -14.787 1.00 0.00 C ATOM 186 O ARG A 15 -14.448 12.435 -13.809 1.00 0.00 O ATOM 187 CB ARG A 15 -16.734 10.525 -15.005 1.00 0.00 C ATOM 188 CG ARG A 15 -17.370 10.954 -13.646 1.00 0.00 C ATOM 189 CD ARG A 15 -18.225 12.248 -13.719 1.00 0.00 C ATOM 190 NE ARG A 15 -17.407 13.480 -13.802 1.00 0.00 N ATOM 191 CZ ARG A 15 -17.883 14.721 -13.998 1.00 0.00 C ATOM 192 NH1 ARG A 15 -19.183 14.954 -14.117 1.00 0.00 N ATOM 193 NH2 ARG A 15 -17.040 15.741 -14.071 1.00 0.00 N ATOM 0 H ARG A 15 -15.436 10.108 -17.183 1.00 0.00 H new ATOM 0 HA ARG A 15 -16.192 12.515 -15.680 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.539 10.345 -15.717 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.221 9.575 -14.857 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.995 10.140 -13.278 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.574 11.100 -12.916 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.881 12.195 -14.588 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.866 12.303 -12.839 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.397 13.378 -13.702 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.847 14.182 -14.060 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.519 15.906 -14.265 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.037 15.581 -13.979 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.394 16.686 -14.220 1.00 0.00 H new ATOM 207 N GLY A 16 -13.367 10.959 -15.160 1.00 0.00 N ATOM 208 CA GLY A 16 -12.067 11.069 -14.476 1.00 0.00 C ATOM 209 C GLY A 16 -12.075 10.506 -13.053 1.00 0.00 C ATOM 210 O GLY A 16 -12.126 11.262 -12.073 1.00 0.00 O ATOM 0 H GLY A 16 -13.374 10.294 -15.933 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.312 10.544 -15.061 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.771 12.118 -14.441 1.00 0.00 H new ATOM 214 N GLN A 17 -12.038 9.172 -12.945 1.00 0.00 N ATOM 215 CA GLN A 17 -12.047 8.456 -11.656 1.00 0.00 C ATOM 216 C GLN A 17 -10.612 8.289 -11.117 1.00 0.00 C ATOM 217 O GLN A 17 -9.662 8.115 -11.892 1.00 0.00 O ATOM 218 CB GLN A 17 -12.736 7.069 -11.834 1.00 0.00 C ATOM 219 CG GLN A 17 -12.857 6.233 -10.544 1.00 0.00 C ATOM 220 CD GLN A 17 -13.546 4.881 -10.754 1.00 0.00 C ATOM 221 OE1 GLN A 17 -14.764 4.761 -10.611 1.00 0.00 O ATOM 222 NE2 GLN A 17 -12.775 3.866 -11.122 1.00 0.00 N ATOM 0 H GLN A 17 -12.001 8.551 -13.754 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.611 9.040 -10.928 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.734 7.225 -12.243 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.176 6.494 -12.571 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.861 6.064 -10.135 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.414 6.804 -9.801 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.770 4.002 -11.231 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.187 2.949 -11.296 1.00 0.00 H new ATOM 231 N ARG A 18 -10.475 8.343 -9.778 1.00 0.00 N ATOM 232 CA ARG A 18 -9.206 8.078 -9.075 1.00 0.00 C ATOM 233 C ARG A 18 -9.472 7.165 -7.871 1.00 0.00 C ATOM 234 O ARG A 18 -10.557 7.198 -7.274 1.00 0.00 O ATOM 235 CB ARG A 18 -8.477 9.384 -8.623 1.00 0.00 C ATOM 236 CG ARG A 18 -9.171 10.229 -7.523 1.00 0.00 C ATOM 237 CD ARG A 18 -10.446 10.930 -8.005 1.00 0.00 C ATOM 238 NE ARG A 18 -11.052 11.775 -6.955 1.00 0.00 N ATOM 239 CZ ARG A 18 -11.531 13.015 -7.141 1.00 0.00 C ATOM 240 NH1 ARG A 18 -11.452 13.607 -8.326 1.00 0.00 N ATOM 241 NH2 ARG A 18 -12.085 13.666 -6.125 1.00 0.00 N ATOM 0 H ARG A 18 -11.246 8.573 -9.151 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.537 7.582 -9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.484 9.112 -8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.338 10.016 -9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.417 9.583 -6.681 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.470 10.979 -7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.213 11.545 -8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.169 10.182 -8.329 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.111 11.385 -6.014 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.022 13.119 -9.112 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.821 14.550 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.145 13.224 -5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.450 14.608 -6.262 1.00 0.00 H new ATOM 255 N GLY A 19 -8.471 6.349 -7.532 1.00 0.00 N ATOM 256 CA GLY A 19 -8.564 5.407 -6.427 1.00 0.00 C ATOM 257 C GLY A 19 -9.044 4.046 -6.867 1.00 0.00 C ATOM 258 O GLY A 19 -9.368 3.827 -8.043 1.00 0.00 O ATOM 0 H GLY A 19 -7.575 6.327 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.587 5.309 -5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.245 5.802 -5.673 1.00 0.00 H new ATOM 262 N CYS A 20 -9.069 3.131 -5.914 1.00 0.00 N ATOM 263 CA CYS A 20 -9.568 1.774 -6.102 1.00 0.00 C ATOM 264 C CYS A 20 -9.948 1.236 -4.727 1.00 0.00 C ATOM 265 O CYS A 20 -9.254 1.522 -3.764 1.00 0.00 O ATOM 266 CB CYS A 20 -8.502 0.877 -6.777 1.00 0.00 C ATOM 267 SG CYS A 20 -9.095 -0.792 -7.199 1.00 0.00 S ATOM 0 H CYS A 20 -8.737 3.311 -4.967 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.435 1.776 -6.762 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.152 1.367 -7.686 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.643 0.788 -6.112 1.00 0.00 H new ATOM 272 N GLU A 21 -11.029 0.443 -4.653 1.00 0.00 N ATOM 273 CA GLU A 21 -11.616 -0.044 -3.375 1.00 0.00 C ATOM 274 C GLU A 21 -10.595 -0.748 -2.432 1.00 0.00 C ATOM 275 O GLU A 21 -10.818 -0.812 -1.222 1.00 0.00 O ATOM 276 CB GLU A 21 -12.813 -0.983 -3.688 1.00 0.00 C ATOM 277 CG GLU A 21 -12.456 -2.197 -4.579 1.00 0.00 C ATOM 278 CD GLU A 21 -13.679 -3.061 -4.936 1.00 0.00 C ATOM 279 OE1 GLU A 21 -14.034 -3.962 -4.153 1.00 0.00 O ATOM 280 OE2 GLU A 21 -14.297 -2.835 -5.998 1.00 0.00 O ATOM 0 H GLU A 21 -11.530 0.115 -5.478 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.953 0.836 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.229 -1.347 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.595 -0.404 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.988 -1.842 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.720 -2.814 -4.065 1.00 0.00 H new ATOM 287 N HIS A 22 -9.492 -1.264 -3.009 1.00 0.00 N ATOM 288 CA HIS A 22 -8.403 -1.920 -2.261 1.00 0.00 C ATOM 289 C HIS A 22 -7.536 -0.887 -1.505 1.00 0.00 C ATOM 290 O HIS A 22 -7.244 -1.065 -0.320 1.00 0.00 O ATOM 291 CB HIS A 22 -7.528 -2.749 -3.238 1.00 0.00 C ATOM 292 CG HIS A 22 -8.272 -3.864 -3.928 1.00 0.00 C ATOM 293 ND1 HIS A 22 -8.587 -3.807 -5.274 1.00 0.00 N ATOM 294 CD2 HIS A 22 -8.737 -5.027 -3.413 1.00 0.00 C ATOM 295 CE1 HIS A 22 -9.236 -4.929 -5.527 1.00 0.00 C ATOM 296 NE2 HIS A 22 -9.347 -5.694 -4.436 1.00 0.00 N ATOM 0 H HIS A 22 -9.331 -1.237 -4.016 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.846 -2.583 -1.518 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.112 -2.082 -3.993 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.688 -3.172 -2.688 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.643 -5.362 -2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.629 -5.196 -6.497 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.802 -6.605 -4.379 1.00 0.00 H new ATOM 304 N TYR A 23 -7.098 0.174 -2.218 1.00 0.00 N ATOM 305 CA TYR A 23 -6.342 1.301 -1.619 1.00 0.00 C ATOM 306 C TYR A 23 -6.961 2.608 -2.128 1.00 0.00 C ATOM 307 O TYR A 23 -6.872 2.915 -3.329 1.00 0.00 O ATOM 308 CB TYR A 23 -4.832 1.260 -2.002 1.00 0.00 C ATOM 309 CG TYR A 23 -4.124 -0.082 -1.735 1.00 0.00 C ATOM 310 CD1 TYR A 23 -4.098 -1.076 -2.714 1.00 0.00 C ATOM 311 CD2 TYR A 23 -3.491 -0.356 -0.518 1.00 0.00 C ATOM 312 CE1 TYR A 23 -3.474 -2.285 -2.496 1.00 0.00 C ATOM 313 CE2 TYR A 23 -2.861 -1.570 -0.299 1.00 0.00 C ATOM 314 CZ TYR A 23 -2.858 -2.531 -1.291 1.00 0.00 C ATOM 315 OH TYR A 23 -2.221 -3.735 -1.085 1.00 0.00 O ATOM 0 H TYR A 23 -7.257 0.275 -3.221 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.403 1.227 -0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.736 1.499 -3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.312 2.043 -1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.578 -0.894 -3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.494 0.390 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.469 -3.038 -3.270 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.373 -1.765 0.645 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.880 -4.075 -1.939 1.00 0.00 H new ATOM 325 N ASP A 24 -7.566 3.379 -1.222 1.00 0.00 N ATOM 326 CA ASP A 24 -8.278 4.615 -1.572 1.00 0.00 C ATOM 327 C ASP A 24 -7.294 5.793 -1.554 1.00 0.00 C ATOM 328 O ASP A 24 -7.043 6.405 -0.503 1.00 0.00 O ATOM 329 CB ASP A 24 -9.467 4.858 -0.606 1.00 0.00 C ATOM 330 CG ASP A 24 -10.504 3.716 -0.571 1.00 0.00 C ATOM 331 OD1 ASP A 24 -10.829 3.151 -1.633 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.017 3.395 0.522 1.00 0.00 O ATOM 0 H ASP A 24 -7.578 3.166 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.691 4.520 -2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.077 5.009 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.971 5.781 -0.894 1.00 0.00 H new ATOM 337 N ARG A 25 -6.686 6.049 -2.719 1.00 0.00 N ATOM 338 CA ARG A 25 -5.722 7.142 -2.914 1.00 0.00 C ATOM 339 C ARG A 25 -5.880 7.727 -4.326 1.00 0.00 C ATOM 340 O ARG A 25 -6.302 7.026 -5.245 1.00 0.00 O ATOM 341 CB ARG A 25 -4.272 6.613 -2.721 1.00 0.00 C ATOM 342 CG ARG A 25 -3.786 5.639 -3.818 1.00 0.00 C ATOM 343 CD ARG A 25 -2.304 5.207 -3.684 1.00 0.00 C ATOM 344 NE ARG A 25 -2.136 3.992 -2.880 1.00 0.00 N ATOM 345 CZ ARG A 25 -1.412 2.915 -3.245 1.00 0.00 C ATOM 346 NH1 ARG A 25 -0.781 2.892 -4.415 1.00 0.00 N ATOM 347 NH2 ARG A 25 -1.331 1.862 -2.439 1.00 0.00 N ATOM 0 H ARG A 25 -6.850 5.498 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.915 7.923 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.592 7.464 -2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.209 6.111 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.414 4.748 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.928 6.108 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.888 5.040 -4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.733 6.018 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.603 3.959 -1.974 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.843 3.693 -5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.235 2.073 -4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.817 1.868 -1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.783 1.048 -2.717 1.00 0.00 H new ATOM 361 N GLY A 26 -5.486 8.991 -4.512 1.00 0.00 N ATOM 362 CA GLY A 26 -5.461 9.603 -5.849 1.00 0.00 C ATOM 363 C GLY A 26 -4.126 9.381 -6.542 1.00 0.00 C ATOM 364 O GLY A 26 -3.587 10.295 -7.176 1.00 0.00 O ATOM 0 H GLY A 26 -5.181 9.609 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.262 9.182 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.654 10.672 -5.764 1.00 0.00 H new ATOM 368 N CYS A 27 -3.598 8.142 -6.439 1.00 0.00 N ATOM 369 CA CYS A 27 -2.220 7.807 -6.843 1.00 0.00 C ATOM 370 C CYS A 27 -2.090 6.323 -7.273 1.00 0.00 C ATOM 371 O CYS A 27 -2.982 5.504 -7.018 1.00 0.00 O ATOM 372 CB CYS A 27 -1.268 8.132 -5.679 1.00 0.00 C ATOM 373 SG CYS A 27 -1.305 9.864 -5.153 1.00 0.00 S ATOM 0 H CYS A 27 -4.119 7.346 -6.072 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.952 8.406 -7.713 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.523 7.500 -4.828 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.251 7.875 -5.974 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.210 10.146 -4.512 1.00 0.00 H new ATOM 379 N LEU A 28 -0.962 5.993 -7.928 1.00 0.00 N ATOM 380 CA LEU A 28 -0.676 4.646 -8.485 1.00 0.00 C ATOM 381 C LEU A 28 0.678 4.122 -7.945 1.00 0.00 C ATOM 382 O LEU A 28 1.327 4.777 -7.129 1.00 0.00 O ATOM 383 CB LEU A 28 -0.663 4.714 -10.047 1.00 0.00 C ATOM 384 CG LEU A 28 -2.009 5.129 -10.742 1.00 0.00 C ATOM 385 CD1 LEU A 28 -1.812 5.528 -12.219 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.063 4.012 -10.627 1.00 0.00 C ATOM 0 H LEU A 28 -0.208 6.661 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.457 3.953 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.110 5.420 -10.351 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.369 3.736 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.371 6.010 -10.211 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.773 5.806 -12.652 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.128 6.375 -12.279 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.395 4.686 -12.771 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.984 4.329 -11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.689 3.108 -11.107 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.264 3.808 -9.575 1.00 0.00 H new ATOM 398 N LEU A 29 1.062 2.925 -8.408 1.00 0.00 N ATOM 399 CA LEU A 29 2.352 2.258 -8.101 1.00 0.00 C ATOM 400 C LEU A 29 3.015 1.942 -9.440 1.00 0.00 C ATOM 401 O LEU A 29 2.407 1.249 -10.272 1.00 0.00 O ATOM 402 CB LEU A 29 2.135 0.920 -7.321 1.00 0.00 C ATOM 403 CG LEU A 29 1.649 1.024 -5.838 1.00 0.00 C ATOM 404 CD1 LEU A 29 1.341 -0.374 -5.243 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.665 1.791 -4.953 1.00 0.00 C ATOM 0 H LEU A 29 0.471 2.370 -9.027 1.00 0.00 H new ATOM 0 HA LEU A 29 2.963 2.911 -7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.409 0.322 -7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.075 0.368 -7.330 1.00 0.00 H new ATOM 0 HG LEU A 29 0.721 1.596 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.006 -0.265 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.558 -0.855 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.242 -0.987 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.291 1.842 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.623 1.270 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.797 2.801 -5.342 1.00 0.00 H new ATOM 417 N LYS A 30 4.227 2.457 -9.669 1.00 0.00 N ATOM 418 CA LYS A 30 4.992 2.122 -10.871 1.00 0.00 C ATOM 419 C LYS A 30 5.777 0.832 -10.610 1.00 0.00 C ATOM 420 O LYS A 30 6.744 0.826 -9.838 1.00 0.00 O ATOM 421 CB LYS A 30 5.926 3.269 -11.293 1.00 0.00 C ATOM 422 CG LYS A 30 6.557 3.045 -12.676 1.00 0.00 C ATOM 423 CD LYS A 30 7.471 4.198 -13.104 1.00 0.00 C ATOM 424 CE LYS A 30 8.073 3.947 -14.482 1.00 0.00 C ATOM 425 NZ LYS A 30 9.146 4.920 -14.806 1.00 0.00 N ATOM 0 H LYS A 30 4.698 3.106 -9.038 1.00 0.00 H new ATOM 0 HA LYS A 30 4.302 1.968 -11.701 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.365 4.204 -11.302 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.717 3.379 -10.551 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.130 2.118 -12.663 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.766 2.920 -13.416 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.904 5.129 -13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.270 4.322 -12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.477 2.935 -14.522 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.289 4.008 -15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.706 4.565 -15.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.720 5.835 -15.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.764 5.043 -13.979 1.00 0.00 H new ATOM 439 N ALA A 31 5.323 -0.253 -11.246 1.00 0.00 N ATOM 440 CA ALA A 31 5.891 -1.594 -11.090 1.00 0.00 C ATOM 441 C ALA A 31 7.052 -1.764 -12.071 1.00 0.00 C ATOM 442 O ALA A 31 6.793 -1.955 -13.251 1.00 0.00 O ATOM 443 CB ALA A 31 4.801 -2.658 -11.339 1.00 0.00 C ATOM 0 H ALA A 31 4.537 -0.222 -11.895 1.00 0.00 H new ATOM 0 HA ALA A 31 6.265 -1.723 -10.074 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.230 -3.653 -11.221 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.992 -2.525 -10.621 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.410 -2.549 -12.351 1.00 0.00 H new ATOM 449 N PRO A 32 8.351 -1.736 -11.606 1.00 0.00 N ATOM 450 CA PRO A 32 9.540 -1.695 -12.511 1.00 0.00 C ATOM 451 C PRO A 32 9.707 -2.995 -13.327 1.00 0.00 C ATOM 452 O PRO A 32 10.449 -3.033 -14.307 1.00 0.00 O ATOM 453 CB PRO A 32 10.722 -1.481 -11.528 1.00 0.00 C ATOM 454 CG PRO A 32 10.252 -2.110 -10.254 1.00 0.00 C ATOM 455 CD PRO A 32 8.768 -1.808 -10.176 1.00 0.00 C ATOM 0 HA PRO A 32 9.461 -0.915 -13.268 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.635 -1.952 -11.893 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.942 -0.422 -11.393 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.434 -3.185 -10.257 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.782 -1.699 -9.395 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.228 -2.588 -9.639 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.576 -0.870 -9.654 1.00 0.00 H new ATOM 463 N CYS A 33 8.971 -4.041 -12.908 1.00 0.00 N ATOM 464 CA CYS A 33 8.942 -5.352 -13.569 1.00 0.00 C ATOM 465 C CYS A 33 8.344 -5.265 -14.996 1.00 0.00 C ATOM 466 O CYS A 33 8.593 -6.135 -15.832 1.00 0.00 O ATOM 467 CB CYS A 33 8.114 -6.294 -12.686 1.00 0.00 C ATOM 468 SG CYS A 33 6.516 -5.574 -12.193 1.00 0.00 S ATOM 0 H CYS A 33 8.370 -3.994 -12.085 1.00 0.00 H new ATOM 0 HA CYS A 33 9.958 -5.728 -13.687 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.937 -7.226 -13.223 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.686 -6.544 -11.792 1.00 0.00 H new ATOM 473 N CYS A 34 7.540 -4.207 -15.248 1.00 0.00 N ATOM 474 CA CYS A 34 6.923 -3.952 -16.573 1.00 0.00 C ATOM 475 C CYS A 34 6.625 -2.446 -16.793 1.00 0.00 C ATOM 476 O CYS A 34 6.011 -2.081 -17.801 1.00 0.00 O ATOM 477 CB CYS A 34 5.638 -4.806 -16.709 1.00 0.00 C ATOM 478 SG CYS A 34 4.484 -4.615 -15.319 1.00 0.00 S ATOM 0 H CYS A 34 7.301 -3.509 -14.544 1.00 0.00 H new ATOM 0 HA CYS A 34 7.632 -4.242 -17.349 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.128 -4.534 -17.633 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.918 -5.856 -16.796 1.00 0.00 H new ATOM 483 N ASP A 35 7.104 -1.589 -15.852 1.00 0.00 N ATOM 484 CA ASP A 35 6.903 -0.110 -15.846 1.00 0.00 C ATOM 485 C ASP A 35 5.412 0.306 -15.920 1.00 0.00 C ATOM 486 O ASP A 35 5.087 1.403 -16.388 1.00 0.00 O ATOM 487 CB ASP A 35 7.755 0.557 -16.968 1.00 0.00 C ATOM 488 CG ASP A 35 9.265 0.427 -16.713 1.00 0.00 C ATOM 489 OD1 ASP A 35 9.833 -0.663 -16.964 1.00 0.00 O ATOM 490 OD2 ASP A 35 9.888 1.400 -16.230 1.00 0.00 O ATOM 0 H ASP A 35 7.654 -1.913 -15.056 1.00 0.00 H new ATOM 0 HA ASP A 35 7.254 0.258 -14.882 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.511 0.099 -17.927 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.491 1.612 -17.042 1.00 0.00 H new ATOM 495 N LYS A 36 4.520 -0.555 -15.383 1.00 0.00 N ATOM 496 CA LYS A 36 3.053 -0.360 -15.460 1.00 0.00 C ATOM 497 C LYS A 36 2.490 0.226 -14.153 1.00 0.00 C ATOM 498 O LYS A 36 3.022 -0.012 -13.068 1.00 0.00 O ATOM 499 CB LYS A 36 2.361 -1.695 -15.825 1.00 0.00 C ATOM 500 CG LYS A 36 2.743 -2.222 -17.230 1.00 0.00 C ATOM 501 CD LYS A 36 1.977 -3.500 -17.637 1.00 0.00 C ATOM 502 CE LYS A 36 0.475 -3.267 -17.850 1.00 0.00 C ATOM 503 NZ LYS A 36 0.200 -2.297 -18.942 1.00 0.00 N ATOM 0 H LYS A 36 4.794 -1.402 -14.885 1.00 0.00 H new ATOM 0 HA LYS A 36 2.844 0.365 -16.246 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.622 -2.447 -15.080 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.280 -1.560 -15.777 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.550 -1.442 -17.967 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.813 -2.426 -17.254 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.410 -3.897 -18.555 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.114 -4.258 -16.866 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.008 -4.217 -18.081 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.032 -2.902 -16.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.817 -2.300 -19.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.486 -1.344 -18.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.738 -2.567 -19.790 1.00 0.00 H new ATOM 517 N LEU A 37 1.378 0.969 -14.292 1.00 0.00 N ATOM 518 CA LEU A 37 0.851 1.871 -13.246 1.00 0.00 C ATOM 519 C LEU A 37 -0.486 1.338 -12.687 1.00 0.00 C ATOM 520 O LEU A 37 -1.511 1.403 -13.373 1.00 0.00 O ATOM 521 CB LEU A 37 0.638 3.307 -13.826 1.00 0.00 C ATOM 522 CG LEU A 37 1.897 4.089 -14.344 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.001 4.157 -13.275 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.434 3.542 -15.689 1.00 0.00 C ATOM 0 H LEU A 37 0.813 0.962 -15.141 1.00 0.00 H new ATOM 0 HA LEU A 37 1.580 1.913 -12.437 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.071 3.232 -14.651 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.164 3.912 -13.053 1.00 0.00 H new ATOM 0 HG LEU A 37 1.565 5.108 -14.541 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.856 4.706 -13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.620 4.667 -12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.310 3.147 -13.007 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.304 4.122 -15.996 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.719 2.497 -15.569 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.658 3.621 -16.450 1.00 0.00 H new ATOM 536 N TYR A 38 -0.466 0.804 -11.447 1.00 0.00 N ATOM 537 CA TYR A 38 -1.676 0.298 -10.747 1.00 0.00 C ATOM 538 C TYR A 38 -1.652 0.743 -9.279 1.00 0.00 C ATOM 539 O TYR A 38 -0.619 0.656 -8.641 1.00 0.00 O ATOM 540 CB TYR A 38 -1.747 -1.256 -10.792 1.00 0.00 C ATOM 541 CG TYR A 38 -1.882 -1.863 -12.191 1.00 0.00 C ATOM 542 CD1 TYR A 38 -0.760 -2.060 -13.000 1.00 0.00 C ATOM 543 CD2 TYR A 38 -3.124 -2.258 -12.694 1.00 0.00 C ATOM 544 CE1 TYR A 38 -0.877 -2.625 -14.249 1.00 0.00 C ATOM 545 CE2 TYR A 38 -3.240 -2.824 -13.949 1.00 0.00 C ATOM 546 CZ TYR A 38 -2.116 -3.009 -14.721 1.00 0.00 C ATOM 547 OH TYR A 38 -2.228 -3.589 -15.966 1.00 0.00 O ATOM 0 H TYR A 38 0.389 0.710 -10.899 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.549 0.708 -11.256 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.848 -1.658 -10.324 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.594 -1.583 -10.189 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.214 -1.764 -12.639 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.009 -2.118 -12.091 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.001 -2.768 -14.861 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.209 -3.120 -14.323 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.168 -3.800 -16.145 1.00 0.00 H new ATOM 557 N THR A 39 -2.800 1.202 -8.758 1.00 0.00 N ATOM 558 CA THR A 39 -2.975 1.553 -7.332 1.00 0.00 C ATOM 559 C THR A 39 -2.684 0.335 -6.416 1.00 0.00 C ATOM 560 O THR A 39 -2.147 0.477 -5.308 1.00 0.00 O ATOM 561 CB THR A 39 -4.436 2.068 -7.078 1.00 0.00 C ATOM 562 OG1 THR A 39 -4.756 3.124 -7.989 1.00 0.00 O ATOM 563 CG2 THR A 39 -4.642 2.573 -5.647 1.00 0.00 C ATOM 0 H THR A 39 -3.643 1.343 -9.315 1.00 0.00 H new ATOM 0 HA THR A 39 -2.264 2.343 -7.091 1.00 0.00 H new ATOM 0 HB THR A 39 -5.096 1.215 -7.235 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.252 3.929 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.669 2.917 -5.527 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.446 1.764 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.958 3.398 -5.450 1.00 0.00 H new ATOM 571 N CYS A 40 -3.033 -0.867 -6.907 1.00 0.00 N ATOM 572 CA CYS A 40 -2.913 -2.114 -6.139 1.00 0.00 C ATOM 573 C CYS A 40 -1.879 -3.054 -6.757 1.00 0.00 C ATOM 574 O CYS A 40 -1.621 -3.002 -7.963 1.00 0.00 O ATOM 575 CB CYS A 40 -4.262 -2.835 -6.103 1.00 0.00 C ATOM 576 SG CYS A 40 -5.682 -1.781 -5.774 1.00 0.00 S ATOM 0 H CYS A 40 -3.406 -0.999 -7.847 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.593 -1.849 -5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.414 -3.336 -7.059 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.221 -3.612 -5.339 1.00 0.00 H new ATOM 581 N ARG A 41 -1.348 -3.956 -5.918 1.00 0.00 N ATOM 582 CA ARG A 41 -0.416 -5.002 -6.360 1.00 0.00 C ATOM 583 C ARG A 41 -1.201 -6.154 -7.048 1.00 0.00 C ATOM 584 O ARG A 41 -0.738 -6.735 -8.033 1.00 0.00 O ATOM 585 CB ARG A 41 0.428 -5.517 -5.150 1.00 0.00 C ATOM 586 CG ARG A 41 -0.303 -6.503 -4.214 1.00 0.00 C ATOM 587 CD ARG A 41 0.493 -6.861 -2.950 1.00 0.00 C ATOM 588 NE ARG A 41 0.324 -5.856 -1.877 1.00 0.00 N ATOM 589 CZ ARG A 41 0.101 -6.149 -0.582 1.00 0.00 C ATOM 590 NH1 ARG A 41 0.060 -7.412 -0.166 1.00 0.00 N ATOM 591 NH2 ARG A 41 -0.086 -5.171 0.295 1.00 0.00 N ATOM 0 H ARG A 41 -1.552 -3.980 -4.919 1.00 0.00 H new ATOM 0 HA ARG A 41 0.277 -4.587 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.326 -6.002 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.755 -4.658 -4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.259 -6.070 -3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.523 -7.417 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.172 -7.837 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.550 -6.947 -3.201 1.00 0.00 H new ATOM 0 HE ARG A 41 0.380 -4.871 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.198 -8.173 -0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.110 -7.620 0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.061 -4.199 -0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.255 -5.391 1.276 1.00 0.00 H new ATOM 605 N LEU A 42 -2.416 -6.440 -6.521 1.00 0.00 N ATOM 606 CA LEU A 42 -3.285 -7.534 -7.007 1.00 0.00 C ATOM 607 C LEU A 42 -4.048 -7.136 -8.288 1.00 0.00 C ATOM 608 O LEU A 42 -4.360 -7.995 -9.110 1.00 0.00 O ATOM 609 CB LEU A 42 -4.285 -8.012 -5.910 1.00 0.00 C ATOM 610 CG LEU A 42 -5.403 -7.008 -5.436 1.00 0.00 C ATOM 611 CD1 LEU A 42 -6.628 -7.767 -4.873 1.00 0.00 C ATOM 612 CD2 LEU A 42 -4.874 -6.000 -4.381 1.00 0.00 C ATOM 0 H LEU A 42 -2.820 -5.916 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.625 -8.366 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.779 -8.911 -6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.705 -8.303 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.709 -6.442 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.384 -7.050 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.044 -8.412 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.320 -8.374 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.679 -5.328 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.514 -6.543 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.057 -5.420 -4.810 1.00 0.00 H new ATOM 624 N CYS A 43 -4.351 -5.828 -8.444 1.00 0.00 N ATOM 625 CA CYS A 43 -4.989 -5.301 -9.679 1.00 0.00 C ATOM 626 C CYS A 43 -3.999 -5.339 -10.869 1.00 0.00 C ATOM 627 O CYS A 43 -4.406 -5.493 -12.021 1.00 0.00 O ATOM 628 CB CYS A 43 -5.584 -3.888 -9.437 1.00 0.00 C ATOM 629 SG CYS A 43 -7.227 -3.926 -8.624 1.00 0.00 S ATOM 0 H CYS A 43 -4.166 -5.118 -7.736 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.824 -5.949 -9.945 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.894 -3.311 -8.821 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.670 -3.369 -10.391 1.00 0.00 H new ATOM 634 N HIS A 44 -2.693 -5.215 -10.558 1.00 0.00 N ATOM 635 CA HIS A 44 -1.593 -5.490 -11.513 1.00 0.00 C ATOM 636 C HIS A 44 -1.605 -6.983 -11.899 1.00 0.00 C ATOM 637 O HIS A 44 -1.672 -7.338 -13.079 1.00 0.00 O ATOM 638 CB HIS A 44 -0.237 -5.066 -10.861 1.00 0.00 C ATOM 639 CG HIS A 44 1.018 -5.694 -11.437 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.327 -7.023 -11.263 1.00 0.00 N ATOM 641 CD2 HIS A 44 2.077 -5.156 -12.116 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.510 -7.249 -11.809 1.00 0.00 C ATOM 643 NE2 HIS A 44 3.015 -6.167 -12.338 1.00 0.00 N ATOM 0 H HIS A 44 -2.368 -4.921 -9.637 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.726 -4.913 -12.428 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.144 -3.983 -10.941 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.281 -5.304 -9.798 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.744 -7.715 -10.793 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.172 -4.126 -12.427 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.999 -8.212 -11.817 1.00 0.00 H new ATOM 651 N ASP A 45 -1.584 -7.835 -10.855 1.00 0.00 N ATOM 652 CA ASP A 45 -1.521 -9.310 -10.974 1.00 0.00 C ATOM 653 C ASP A 45 -2.726 -9.883 -11.752 1.00 0.00 C ATOM 654 O ASP A 45 -2.616 -10.930 -12.395 1.00 0.00 O ATOM 655 CB ASP A 45 -1.445 -9.916 -9.545 1.00 0.00 C ATOM 656 CG ASP A 45 -1.397 -11.453 -9.517 1.00 0.00 C ATOM 657 OD1 ASP A 45 -0.324 -12.018 -9.776 1.00 0.00 O ATOM 658 OD2 ASP A 45 -2.437 -12.098 -9.252 1.00 0.00 O ATOM 0 H ASP A 45 -1.611 -7.514 -9.887 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.632 -9.580 -11.544 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.559 -9.526 -9.043 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.310 -9.580 -8.973 1.00 0.00 H new ATOM 663 N ASN A 46 -3.864 -9.170 -11.680 1.00 0.00 N ATOM 664 CA ASN A 46 -5.130 -9.548 -12.344 1.00 0.00 C ATOM 665 C ASN A 46 -4.974 -9.618 -13.878 1.00 0.00 C ATOM 666 O ASN A 46 -5.495 -10.533 -14.525 1.00 0.00 O ATOM 667 CB ASN A 46 -6.239 -8.527 -11.964 1.00 0.00 C ATOM 668 CG ASN A 46 -7.591 -8.786 -12.653 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.412 -9.565 -12.169 1.00 0.00 O ATOM 670 ND2 ASN A 46 -7.835 -8.133 -13.785 1.00 0.00 N ATOM 0 H ASN A 46 -3.934 -8.301 -11.151 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.410 -10.543 -11.999 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.383 -8.548 -10.884 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.898 -7.524 -12.220 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.720 -8.272 -14.274 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.138 -7.493 -14.165 1.00 0.00 H new ATOM 677 N ASN A 47 -4.244 -8.644 -14.439 1.00 0.00 N ATOM 678 CA ASN A 47 -4.100 -8.474 -15.900 1.00 0.00 C ATOM 679 C ASN A 47 -2.852 -9.201 -16.431 1.00 0.00 C ATOM 680 O ASN A 47 -2.808 -9.605 -17.600 1.00 0.00 O ATOM 681 CB ASN A 47 -4.026 -6.958 -16.246 1.00 0.00 C ATOM 682 CG ASN A 47 -5.319 -6.204 -15.904 1.00 0.00 C ATOM 683 OD1 ASN A 47 -6.223 -6.083 -16.733 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.425 -5.704 -14.683 1.00 0.00 N ATOM 0 H ASN A 47 -3.734 -7.948 -13.895 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.972 -8.916 -16.382 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.194 -6.507 -15.705 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.814 -6.843 -17.309 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.270 -5.204 -14.408 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.661 -5.819 -14.017 1.00 0.00 H new ATOM 691 N GLU A 48 -1.838 -9.352 -15.562 1.00 0.00 N ATOM 692 CA GLU A 48 -0.492 -9.818 -15.954 1.00 0.00 C ATOM 693 C GLU A 48 -0.195 -11.240 -15.465 1.00 0.00 C ATOM 694 O GLU A 48 -0.867 -11.760 -14.573 1.00 0.00 O ATOM 695 CB GLU A 48 0.539 -8.803 -15.412 1.00 0.00 C ATOM 696 CG GLU A 48 0.207 -7.362 -15.846 1.00 0.00 C ATOM 697 CD GLU A 48 1.169 -6.297 -15.331 1.00 0.00 C ATOM 698 OE1 GLU A 48 2.390 -6.535 -15.319 1.00 0.00 O ATOM 699 OE2 GLU A 48 0.704 -5.213 -14.939 1.00 0.00 O ATOM 0 H GLU A 48 -1.926 -9.155 -14.565 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.434 -9.870 -17.041 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.565 -8.858 -14.324 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.534 -9.070 -15.769 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.192 -7.321 -16.935 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.799 -7.118 -15.504 1.00 0.00 H new ATOM 706 N ASP A 49 0.839 -11.851 -16.074 1.00 0.00 N ATOM 707 CA ASP A 49 1.260 -13.246 -15.809 1.00 0.00 C ATOM 708 C ASP A 49 2.274 -13.334 -14.651 1.00 0.00 C ATOM 709 O ASP A 49 2.826 -14.410 -14.383 1.00 0.00 O ATOM 710 CB ASP A 49 1.869 -13.856 -17.100 1.00 0.00 C ATOM 711 CG ASP A 49 0.855 -13.954 -18.253 1.00 0.00 C ATOM 712 OD1 ASP A 49 0.690 -12.964 -19.008 1.00 0.00 O ATOM 713 OD2 ASP A 49 0.212 -15.015 -18.400 1.00 0.00 O ATOM 0 H ASP A 49 1.416 -11.385 -16.775 1.00 0.00 H new ATOM 0 HA ASP A 49 0.378 -13.812 -15.510 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.716 -13.248 -17.418 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.256 -14.850 -16.878 1.00 0.00 H new ATOM 718 N HIS A 50 2.504 -12.208 -13.960 1.00 0.00 N ATOM 719 CA HIS A 50 3.431 -12.138 -12.820 1.00 0.00 C ATOM 720 C HIS A 50 2.855 -11.212 -11.729 1.00 0.00 C ATOM 721 O HIS A 50 1.980 -10.378 -12.005 1.00 0.00 O ATOM 722 CB HIS A 50 4.843 -11.675 -13.294 1.00 0.00 C ATOM 723 CG HIS A 50 4.901 -10.284 -13.879 1.00 0.00 C ATOM 724 ND1 HIS A 50 4.484 -9.958 -15.146 1.00 0.00 N ATOM 725 CD2 HIS A 50 5.314 -9.123 -13.319 1.00 0.00 C ATOM 726 CE1 HIS A 50 4.644 -8.634 -15.305 1.00 0.00 C ATOM 727 NE2 HIS A 50 5.143 -8.069 -14.215 1.00 0.00 N ATOM 0 H HIS A 50 2.052 -11.319 -14.176 1.00 0.00 H new ATOM 0 HA HIS A 50 3.546 -13.131 -12.386 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.527 -11.724 -12.447 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.208 -12.381 -14.040 1.00 0.00 H new ATOM 0 HD1 HIS A 50 4.118 -10.606 -15.843 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.718 -9.027 -12.322 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.397 -8.097 -16.209 1.00 0.00 H new ATOM 735 N GLN A 51 3.356 -11.381 -10.498 1.00 0.00 N ATOM 736 CA GLN A 51 2.885 -10.643 -9.306 1.00 0.00 C ATOM 737 C GLN A 51 3.654 -9.326 -9.141 1.00 0.00 C ATOM 738 O GLN A 51 4.834 -9.234 -9.516 1.00 0.00 O ATOM 739 CB GLN A 51 3.066 -11.511 -8.029 1.00 0.00 C ATOM 740 CG GLN A 51 2.355 -12.872 -8.090 1.00 0.00 C ATOM 741 CD GLN A 51 2.618 -13.760 -6.872 1.00 0.00 C ATOM 742 OE1 GLN A 51 1.866 -13.743 -5.897 1.00 0.00 O ATOM 743 NE2 GLN A 51 3.704 -14.517 -6.909 1.00 0.00 N ATOM 0 H GLN A 51 4.108 -12.040 -10.294 1.00 0.00 H new ATOM 0 HA GLN A 51 1.827 -10.418 -9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.131 -11.676 -7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.692 -10.956 -7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.282 -12.707 -8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.676 -13.399 -8.989 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.305 -14.507 -7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.939 -15.110 -6.113 1.00 0.00 H new ATOM 752 N LEU A 52 2.969 -8.292 -8.622 1.00 0.00 N ATOM 753 CA LEU A 52 3.630 -7.045 -8.208 1.00 0.00 C ATOM 754 C LEU A 52 4.206 -7.269 -6.807 1.00 0.00 C ATOM 755 O LEU A 52 3.469 -7.269 -5.804 1.00 0.00 O ATOM 756 CB LEU A 52 2.650 -5.831 -8.252 1.00 0.00 C ATOM 757 CG LEU A 52 3.267 -4.377 -8.112 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.331 -3.297 -8.713 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.602 -4.006 -6.650 1.00 0.00 C ATOM 0 H LEU A 52 1.959 -8.297 -8.480 1.00 0.00 H new ATOM 0 HA LEU A 52 4.433 -6.797 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.105 -5.874 -9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.918 -5.962 -7.455 1.00 0.00 H new ATOM 0 HG LEU A 52 4.199 -4.401 -8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.788 -2.314 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.172 -3.502 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.374 -3.315 -8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.021 -3.000 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.694 -4.041 -6.048 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.328 -4.715 -6.252 1.00 0.00 H new ATOM 771 N ASP A 53 5.512 -7.535 -6.766 1.00 0.00 N ATOM 772 CA ASP A 53 6.286 -7.535 -5.535 1.00 0.00 C ATOM 773 C ASP A 53 6.368 -6.088 -5.025 1.00 0.00 C ATOM 774 O ASP A 53 7.020 -5.234 -5.644 1.00 0.00 O ATOM 775 CB ASP A 53 7.697 -8.124 -5.782 1.00 0.00 C ATOM 776 CG ASP A 53 7.676 -9.583 -6.286 1.00 0.00 C ATOM 777 OD1 ASP A 53 7.317 -9.806 -7.464 1.00 0.00 O ATOM 778 OD2 ASP A 53 8.007 -10.508 -5.506 1.00 0.00 O ATOM 0 H ASP A 53 6.062 -7.758 -7.596 1.00 0.00 H new ATOM 0 HA ASP A 53 5.804 -8.161 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.218 -7.504 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.269 -8.076 -4.856 1.00 0.00 H new ATOM 783 N ARG A 54 5.658 -5.819 -3.919 1.00 0.00 N ATOM 784 CA ARG A 54 5.478 -4.459 -3.360 1.00 0.00 C ATOM 785 C ARG A 54 6.805 -3.850 -2.861 1.00 0.00 C ATOM 786 O ARG A 54 6.904 -2.645 -2.654 1.00 0.00 O ATOM 787 CB ARG A 54 4.427 -4.507 -2.219 1.00 0.00 C ATOM 788 CG ARG A 54 4.850 -5.352 -0.993 1.00 0.00 C ATOM 789 CD ARG A 54 3.722 -5.517 0.040 1.00 0.00 C ATOM 790 NE ARG A 54 4.183 -6.231 1.248 1.00 0.00 N ATOM 791 CZ ARG A 54 3.627 -7.341 1.762 1.00 0.00 C ATOM 792 NH1 ARG A 54 2.628 -7.954 1.149 1.00 0.00 N ATOM 793 NH2 ARG A 54 4.101 -7.850 2.888 1.00 0.00 N ATOM 0 H ARG A 54 5.185 -6.543 -3.378 1.00 0.00 H new ATOM 0 HA ARG A 54 5.121 -3.809 -4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.221 -3.489 -1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.495 -4.908 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.173 -6.337 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.709 -4.882 -0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.341 -4.535 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.894 -6.063 -0.411 1.00 0.00 H new ATOM 0 HE ARG A 54 4.994 -5.848 1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.266 -7.585 0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.220 -8.796 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.885 -7.400 3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.683 -8.692 3.283 1.00 0.00 H new ATOM 807 N PHE A 55 7.818 -4.700 -2.672 1.00 0.00 N ATOM 808 CA PHE A 55 9.152 -4.279 -2.209 1.00 0.00 C ATOM 809 C PHE A 55 10.010 -3.733 -3.372 1.00 0.00 C ATOM 810 O PHE A 55 11.006 -3.039 -3.143 1.00 0.00 O ATOM 811 CB PHE A 55 9.844 -5.480 -1.520 1.00 0.00 C ATOM 812 CG PHE A 55 9.024 -6.071 -0.366 1.00 0.00 C ATOM 813 CD1 PHE A 55 8.863 -5.367 0.828 1.00 0.00 C ATOM 814 CD2 PHE A 55 8.398 -7.314 -0.482 1.00 0.00 C ATOM 815 CE1 PHE A 55 8.109 -5.889 1.863 1.00 0.00 C ATOM 816 CE2 PHE A 55 7.642 -7.833 0.555 1.00 0.00 C ATOM 817 CZ PHE A 55 7.500 -7.122 1.728 1.00 0.00 C ATOM 0 H PHE A 55 7.740 -5.704 -2.835 1.00 0.00 H new ATOM 0 HA PHE A 55 9.040 -3.464 -1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.029 -6.258 -2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.816 -5.163 -1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.333 -4.402 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.505 -7.880 -1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.996 -5.331 2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.163 -8.795 0.445 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.914 -7.528 2.539 1.00 0.00 H new ATOM 827 N LYS A 56 9.602 -4.046 -4.620 1.00 0.00 N ATOM 828 CA LYS A 56 10.364 -3.689 -5.833 1.00 0.00 C ATOM 829 C LYS A 56 9.962 -2.314 -6.399 1.00 0.00 C ATOM 830 O LYS A 56 10.757 -1.706 -7.124 1.00 0.00 O ATOM 831 CB LYS A 56 10.196 -4.787 -6.926 1.00 0.00 C ATOM 832 CG LYS A 56 10.666 -6.203 -6.506 1.00 0.00 C ATOM 833 CD LYS A 56 12.151 -6.267 -6.064 1.00 0.00 C ATOM 834 CE LYS A 56 13.140 -5.899 -7.184 1.00 0.00 C ATOM 835 NZ LYS A 56 14.545 -5.871 -6.690 1.00 0.00 N ATOM 0 H LYS A 56 8.738 -4.552 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 56 11.412 -3.625 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.145 -4.838 -7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.752 -4.484 -7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.038 -6.556 -5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.516 -6.887 -7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.301 -5.592 -5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.374 -7.273 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.054 -6.620 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.879 -4.924 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.183 -5.620 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.632 -5.165 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.802 -6.809 -6.321 1.00 0.00 H new ATOM 849 N VAL A 57 8.736 -1.831 -6.092 1.00 0.00 N ATOM 850 CA VAL A 57 8.247 -0.534 -6.619 1.00 0.00 C ATOM 851 C VAL A 57 9.056 0.652 -6.028 1.00 0.00 C ATOM 852 O VAL A 57 8.993 0.950 -4.832 1.00 0.00 O ATOM 853 CB VAL A 57 6.685 -0.332 -6.427 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.892 -1.298 -7.331 1.00 0.00 C ATOM 855 CG2 VAL A 57 6.242 -0.492 -4.961 1.00 0.00 C ATOM 0 H VAL A 57 8.072 -2.314 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 57 8.415 -0.555 -7.696 1.00 0.00 H new ATOM 0 HB VAL A 57 6.466 0.695 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.824 -1.141 -7.182 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.145 -1.110 -8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.147 -2.327 -7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.165 -0.343 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.495 -1.493 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.753 0.247 -4.344 1.00 0.00 H new ATOM 865 N LYS A 58 9.872 1.265 -6.896 1.00 0.00 N ATOM 866 CA LYS A 58 10.721 2.423 -6.561 1.00 0.00 C ATOM 867 C LYS A 58 9.920 3.722 -6.733 1.00 0.00 C ATOM 868 O LYS A 58 9.994 4.654 -5.916 1.00 0.00 O ATOM 869 CB LYS A 58 11.962 2.427 -7.496 1.00 0.00 C ATOM 870 CG LYS A 58 13.009 3.533 -7.213 1.00 0.00 C ATOM 871 CD LYS A 58 13.749 3.337 -5.868 1.00 0.00 C ATOM 872 CE LYS A 58 14.860 4.380 -5.642 1.00 0.00 C ATOM 873 NZ LYS A 58 15.628 4.111 -4.397 1.00 0.00 N ATOM 0 H LYS A 58 9.964 0.968 -7.867 1.00 0.00 H new ATOM 0 HA LYS A 58 11.050 2.354 -5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.454 1.458 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.619 2.531 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.738 3.551 -8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.512 4.503 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.030 3.395 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.183 2.338 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.539 4.378 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.418 5.375 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.366 4.835 -4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.985 4.138 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.071 3.172 -4.458 1.00 0.00 H new ATOM 887 N GLU A 59 9.146 3.746 -7.822 1.00 0.00 N ATOM 888 CA GLU A 59 8.384 4.911 -8.270 1.00 0.00 C ATOM 889 C GLU A 59 6.879 4.660 -8.144 1.00 0.00 C ATOM 890 O GLU A 59 6.426 3.534 -7.885 1.00 0.00 O ATOM 891 CB GLU A 59 8.770 5.248 -9.737 1.00 0.00 C ATOM 892 CG GLU A 59 10.218 5.737 -9.901 1.00 0.00 C ATOM 893 CD GLU A 59 10.644 5.944 -11.374 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.709 4.948 -12.131 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.924 7.095 -11.779 1.00 0.00 O ATOM 0 H GLU A 59 9.030 2.935 -8.430 1.00 0.00 H new ATOM 0 HA GLU A 59 8.628 5.762 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.624 4.361 -10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.093 6.014 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.337 6.677 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.890 5.016 -9.436 1.00 0.00 H new ATOM 902 N VAL A 60 6.129 5.746 -8.353 1.00 0.00 N ATOM 903 CA VAL A 60 4.658 5.822 -8.211 1.00 0.00 C ATOM 904 C VAL A 60 4.084 6.872 -9.204 1.00 0.00 C ATOM 905 O VAL A 60 4.844 7.503 -9.954 1.00 0.00 O ATOM 906 CB VAL A 60 4.251 6.209 -6.733 1.00 0.00 C ATOM 907 CG1 VAL A 60 4.419 5.036 -5.733 1.00 0.00 C ATOM 908 CG2 VAL A 60 5.041 7.446 -6.255 1.00 0.00 C ATOM 0 H VAL A 60 6.539 6.636 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 60 4.243 4.840 -8.437 1.00 0.00 H new ATOM 0 HB VAL A 60 3.188 6.451 -6.757 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.124 5.363 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.790 4.201 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.461 4.718 -5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.745 7.695 -5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.109 7.228 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.827 8.290 -6.911 1.00 0.00 H new ATOM 918 N GLN A 61 2.737 7.055 -9.195 1.00 0.00 N ATOM 919 CA GLN A 61 2.035 8.045 -10.065 1.00 0.00 C ATOM 920 C GLN A 61 0.944 8.817 -9.295 1.00 0.00 C ATOM 921 O GLN A 61 0.655 8.519 -8.145 1.00 0.00 O ATOM 922 CB GLN A 61 1.423 7.393 -11.360 1.00 0.00 C ATOM 923 CG GLN A 61 2.089 7.864 -12.670 1.00 0.00 C ATOM 924 CD GLN A 61 1.273 7.650 -13.955 1.00 0.00 C ATOM 925 OE1 GLN A 61 -0.045 7.771 -13.880 1.00 0.00 O flip ATOM 926 NE2 GLN A 61 1.836 7.435 -15.027 1.00 0.00 N flip ATOM 0 H GLN A 61 2.108 6.526 -8.590 1.00 0.00 H new ATOM 0 HA GLN A 61 2.802 8.752 -10.382 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.513 6.309 -11.287 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.358 7.622 -11.402 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.314 8.927 -12.579 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.041 7.345 -12.777 1.00 0.00 H new ATOM 0 HE21 GLN A 61 2.852 7.346 -15.061 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.287 7.346 -15.882 1.00 0.00 H new ATOM 935 N CYS A 62 0.386 9.844 -9.964 1.00 0.00 N ATOM 936 CA CYS A 62 -0.725 10.688 -9.456 1.00 0.00 C ATOM 937 C CYS A 62 -1.940 10.544 -10.405 1.00 0.00 C ATOM 938 O CYS A 62 -1.829 10.908 -11.563 1.00 0.00 O ATOM 939 CB CYS A 62 -0.226 12.154 -9.441 1.00 0.00 C ATOM 940 SG CYS A 62 -1.339 13.428 -8.747 1.00 0.00 S ATOM 0 H CYS A 62 0.699 10.120 -10.895 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.028 10.386 -8.454 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.708 12.184 -8.880 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.009 12.438 -10.467 1.00 0.00 H new ATOM 945 N ILE A 63 -3.090 10.010 -9.939 1.00 0.00 N ATOM 946 CA ILE A 63 -4.323 9.911 -10.785 1.00 0.00 C ATOM 947 C ILE A 63 -5.098 11.257 -10.694 1.00 0.00 C ATOM 948 O ILE A 63 -6.263 11.312 -10.273 1.00 0.00 O ATOM 949 CB ILE A 63 -5.277 8.702 -10.377 1.00 0.00 C ATOM 950 CG1 ILE A 63 -4.503 7.539 -9.707 1.00 0.00 C ATOM 951 CG2 ILE A 63 -6.042 8.163 -11.610 1.00 0.00 C ATOM 952 CD1 ILE A 63 -5.380 6.433 -9.130 1.00 0.00 C ATOM 0 H ILE A 63 -3.201 9.642 -8.994 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.004 9.710 -11.808 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.985 9.100 -9.650 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.827 7.101 -10.441 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.884 7.947 -8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.687 7.338 -11.306 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.650 8.960 -12.038 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.329 7.811 -12.355 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.749 5.665 -8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.038 6.851 -8.368 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.980 5.992 -9.926 1.00 0.00 H new ATOM 964 N ASN A 64 -4.404 12.338 -11.077 1.00 0.00 N ATOM 965 CA ASN A 64 -4.869 13.727 -10.900 1.00 0.00 C ATOM 966 C ASN A 64 -3.975 14.649 -11.742 1.00 0.00 C ATOM 967 O ASN A 64 -4.459 15.439 -12.558 1.00 0.00 O ATOM 968 CB ASN A 64 -4.808 14.130 -9.396 1.00 0.00 C ATOM 969 CG ASN A 64 -5.332 15.540 -9.097 1.00 0.00 C ATOM 970 OD1 ASN A 64 -6.207 16.063 -9.792 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.814 16.158 -8.045 1.00 0.00 N ATOM 0 H ASN A 64 -3.490 12.274 -11.525 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.904 13.818 -11.228 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.385 13.410 -8.816 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.775 14.059 -9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.138 17.091 -7.791 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.092 15.700 -7.489 1.00 0.00 H new ATOM 978 N CYS A 65 -2.654 14.526 -11.513 1.00 0.00 N ATOM 979 CA CYS A 65 -1.623 15.115 -12.376 1.00 0.00 C ATOM 980 C CYS A 65 -0.487 14.098 -12.484 1.00 0.00 C ATOM 981 O CYS A 65 0.487 14.190 -11.757 1.00 0.00 O ATOM 982 CB CYS A 65 -1.119 16.496 -11.854 1.00 0.00 C ATOM 983 SG CYS A 65 0.181 16.480 -10.554 1.00 0.00 S ATOM 0 H CYS A 65 -2.274 14.011 -10.718 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.043 15.324 -13.360 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.738 17.060 -12.705 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.978 17.044 -11.466 1.00 0.00 H new ATOM 988 N GLU A 66 -0.743 13.037 -13.283 1.00 0.00 N ATOM 989 CA GLU A 66 0.192 11.904 -13.587 1.00 0.00 C ATOM 990 C GLU A 66 1.687 12.282 -13.545 1.00 0.00 C ATOM 991 O GLU A 66 2.316 12.585 -14.557 1.00 0.00 O ATOM 992 CB GLU A 66 -0.203 11.243 -14.939 1.00 0.00 C ATOM 993 CG GLU A 66 -1.614 10.608 -14.925 1.00 0.00 C ATOM 994 CD GLU A 66 -1.984 9.913 -16.244 1.00 0.00 C ATOM 995 OE1 GLU A 66 -1.651 8.718 -16.419 1.00 0.00 O ATOM 996 OE2 GLU A 66 -2.595 10.565 -17.120 1.00 0.00 O ATOM 0 H GLU A 66 -1.640 12.933 -13.758 1.00 0.00 H new ATOM 0 HA GLU A 66 0.076 11.179 -12.782 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.159 11.993 -15.728 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.530 10.475 -15.187 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.670 9.883 -14.113 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.351 11.383 -14.712 1.00 0.00 H new ATOM 1003 N LYS A 67 2.189 12.313 -12.305 1.00 0.00 N ATOM 1004 CA LYS A 67 3.562 12.660 -11.956 1.00 0.00 C ATOM 1005 C LYS A 67 4.309 11.362 -11.671 1.00 0.00 C ATOM 1006 O LYS A 67 3.927 10.627 -10.747 1.00 0.00 O ATOM 1007 CB LYS A 67 3.545 13.562 -10.677 1.00 0.00 C ATOM 1008 CG LYS A 67 4.908 14.167 -10.251 1.00 0.00 C ATOM 1009 CD LYS A 67 5.394 15.272 -11.217 1.00 0.00 C ATOM 1010 CE LYS A 67 6.685 15.966 -10.741 1.00 0.00 C ATOM 1011 NZ LYS A 67 7.095 17.067 -11.657 1.00 0.00 N ATOM 0 H LYS A 67 1.622 12.087 -11.487 1.00 0.00 H new ATOM 0 HA LYS A 67 4.051 13.203 -12.765 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.844 14.380 -10.843 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.157 12.972 -9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.820 14.580 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.655 13.375 -10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.565 14.836 -12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.608 16.019 -11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.534 16.366 -9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.488 15.232 -10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.027 17.429 -11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.149 16.706 -12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.396 17.835 -11.611 1.00 0.00 H new ATOM 1025 N ILE A 68 5.350 11.074 -12.459 1.00 0.00 N ATOM 1026 CA ILE A 68 6.247 9.961 -12.163 1.00 0.00 C ATOM 1027 C ILE A 68 7.260 10.476 -11.133 1.00 0.00 C ATOM 1028 O ILE A 68 8.161 11.262 -11.448 1.00 0.00 O ATOM 1029 CB ILE A 68 6.990 9.416 -13.443 1.00 0.00 C ATOM 1030 CG1 ILE A 68 5.982 8.778 -14.460 1.00 0.00 C ATOM 1031 CG2 ILE A 68 8.093 8.398 -13.050 1.00 0.00 C ATOM 1032 CD1 ILE A 68 5.369 7.448 -14.019 1.00 0.00 C ATOM 0 H ILE A 68 5.589 11.596 -13.302 1.00 0.00 H new ATOM 0 HA ILE A 68 5.669 9.120 -11.780 1.00 0.00 H new ATOM 0 HB ILE A 68 7.467 10.264 -13.935 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.176 9.489 -14.643 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.495 8.627 -15.410 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.591 8.036 -13.949 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.822 8.884 -12.402 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.641 7.558 -12.522 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.687 7.089 -14.789 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.161 6.715 -13.866 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.822 7.591 -13.087 1.00 0.00 H new ATOM 1044 N GLN A 69 7.042 10.053 -9.898 1.00 0.00 N ATOM 1045 CA GLN A 69 7.844 10.447 -8.741 1.00 0.00 C ATOM 1046 C GLN A 69 8.202 9.187 -7.954 1.00 0.00 C ATOM 1047 O GLN A 69 7.694 8.113 -8.254 1.00 0.00 O ATOM 1048 CB GLN A 69 7.052 11.455 -7.855 1.00 0.00 C ATOM 1049 CG GLN A 69 5.737 10.898 -7.266 1.00 0.00 C ATOM 1050 CD GLN A 69 4.983 11.889 -6.374 1.00 0.00 C ATOM 1051 OE1 GLN A 69 4.112 12.630 -6.839 1.00 0.00 O ATOM 1052 NE2 GLN A 69 5.314 11.905 -5.085 1.00 0.00 N ATOM 0 H GLN A 69 6.285 9.411 -9.662 1.00 0.00 H new ATOM 0 HA GLN A 69 8.758 10.944 -9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.693 11.780 -7.035 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.823 12.339 -8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.085 10.593 -8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.961 10.002 -6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.039 11.278 -4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.843 12.545 -4.445 1.00 0.00 H new ATOM 1061 N HIS A 70 9.094 9.309 -6.970 1.00 0.00 N ATOM 1062 CA HIS A 70 9.456 8.178 -6.090 1.00 0.00 C ATOM 1063 C HIS A 70 8.444 8.066 -4.935 1.00 0.00 C ATOM 1064 O HIS A 70 7.756 9.050 -4.613 1.00 0.00 O ATOM 1065 CB HIS A 70 10.909 8.339 -5.592 1.00 0.00 C ATOM 1066 CG HIS A 70 11.949 8.135 -6.670 1.00 0.00 C ATOM 1067 ND1 HIS A 70 13.159 7.518 -6.446 1.00 0.00 N ATOM 1068 CD2 HIS A 70 11.957 8.485 -7.983 1.00 0.00 C ATOM 1069 CE1 HIS A 70 13.857 7.505 -7.562 1.00 0.00 C ATOM 1070 NE2 HIS A 70 13.152 8.083 -8.508 1.00 0.00 N ATOM 0 H HIS A 70 9.584 10.178 -6.756 1.00 0.00 H new ATOM 0 HA HIS A 70 9.411 7.244 -6.650 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.030 9.336 -5.168 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.089 7.626 -4.787 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.163 8.989 -8.514 1.00 0.00 H new ATOM 0 HE1 HIS A 70 14.846 7.088 -7.680 1.00 0.00 H new ATOM 0 HE2 HIS A 70 13.448 8.211 -9.476 1.00 0.00 H new ATOM 1079 N ALA A 71 8.356 6.857 -4.337 1.00 0.00 N ATOM 1080 CA ALA A 71 7.328 6.507 -3.330 1.00 0.00 C ATOM 1081 C ALA A 71 7.312 7.489 -2.129 1.00 0.00 C ATOM 1082 O ALA A 71 8.198 7.456 -1.263 1.00 0.00 O ATOM 1083 CB ALA A 71 7.527 5.056 -2.868 1.00 0.00 C ATOM 0 H ALA A 71 8.999 6.092 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 71 6.351 6.598 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.769 4.803 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.437 4.386 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.517 4.948 -2.425 1.00 0.00 H new ATOM 1089 N GLN A 72 6.299 8.377 -2.128 1.00 0.00 N ATOM 1090 CA GLN A 72 6.139 9.469 -1.139 1.00 0.00 C ATOM 1091 C GLN A 72 4.672 9.525 -0.669 1.00 0.00 C ATOM 1092 O GLN A 72 3.800 8.986 -1.348 1.00 0.00 O ATOM 1093 CB GLN A 72 6.609 10.801 -1.809 1.00 0.00 C ATOM 1094 CG GLN A 72 6.733 12.029 -0.879 1.00 0.00 C ATOM 1095 CD GLN A 72 7.546 13.179 -1.507 1.00 0.00 C ATOM 1096 OE1 GLN A 72 8.765 13.261 -1.332 1.00 0.00 O ATOM 1097 NE2 GLN A 72 6.894 14.059 -2.253 1.00 0.00 N ATOM 0 H GLN A 72 5.554 8.358 -2.825 1.00 0.00 H new ATOM 0 HA GLN A 72 6.748 9.299 -0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.579 10.626 -2.275 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.910 11.047 -2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.736 12.391 -0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.206 11.725 0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.886 13.970 -2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.400 14.825 -2.697 1.00 0.00 H new ATOM 1106 N GLN A 73 4.407 10.139 0.511 1.00 0.00 N ATOM 1107 CA GLN A 73 3.040 10.201 1.090 1.00 0.00 C ATOM 1108 C GLN A 73 2.179 11.259 0.386 1.00 0.00 C ATOM 1109 O GLN A 73 0.951 11.158 0.370 1.00 0.00 O ATOM 1110 CB GLN A 73 3.085 10.484 2.617 1.00 0.00 C ATOM 1111 CG GLN A 73 1.729 10.282 3.342 1.00 0.00 C ATOM 1112 CD GLN A 73 1.766 10.595 4.842 1.00 0.00 C ATOM 1113 OE1 GLN A 73 2.804 10.480 5.493 1.00 0.00 O ATOM 1114 NE2 GLN A 73 0.621 10.946 5.409 1.00 0.00 N ATOM 0 H GLN A 73 5.119 10.597 1.079 1.00 0.00 H new ATOM 0 HA GLN A 73 2.583 9.224 0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.829 9.832 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.420 11.509 2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.979 10.915 2.869 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.407 9.250 3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.223 11.033 4.843 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.584 11.129 6.412 1.00 0.00 H new ATOM 1123 N THR A 74 2.830 12.286 -0.180 1.00 0.00 N ATOM 1124 CA THR A 74 2.150 13.339 -0.957 1.00 0.00 C ATOM 1125 C THR A 74 2.870 13.595 -2.292 1.00 0.00 C ATOM 1126 O THR A 74 4.059 13.325 -2.449 1.00 0.00 O ATOM 1127 CB THR A 74 2.022 14.679 -0.150 1.00 0.00 C ATOM 1128 OG1 THR A 74 3.283 15.025 0.440 1.00 0.00 O ATOM 1129 CG2 THR A 74 0.946 14.603 0.947 1.00 0.00 C ATOM 0 H THR A 74 3.840 12.412 -0.114 1.00 0.00 H new ATOM 0 HA THR A 74 1.143 12.975 -1.163 1.00 0.00 H new ATOM 0 HB THR A 74 1.718 15.449 -0.859 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.192 15.863 0.939 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.897 15.555 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.022 14.390 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.199 13.810 1.651 1.00 0.00 H new ATOM 1137 N CYS A 75 2.087 14.071 -3.259 1.00 0.00 N ATOM 1138 CA CYS A 75 2.566 14.532 -4.565 1.00 0.00 C ATOM 1139 C CYS A 75 3.057 15.960 -4.411 1.00 0.00 C ATOM 1140 O CYS A 75 2.251 16.851 -4.309 1.00 0.00 O ATOM 1141 CB CYS A 75 1.395 14.462 -5.574 1.00 0.00 C ATOM 1142 SG CYS A 75 1.664 15.220 -7.207 1.00 0.00 S ATOM 0 H CYS A 75 1.075 14.149 -3.155 1.00 0.00 H new ATOM 0 HA CYS A 75 3.382 13.908 -4.931 1.00 0.00 H new ATOM 0 HB2 CYS A 75 1.141 13.413 -5.725 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.527 14.938 -5.119 1.00 0.00 H new ATOM 1147 N GLU A 76 4.373 16.162 -4.361 1.00 0.00 N ATOM 1148 CA GLU A 76 5.006 17.509 -4.276 1.00 0.00 C ATOM 1149 C GLU A 76 4.463 18.501 -5.346 1.00 0.00 C ATOM 1150 O GLU A 76 4.479 19.719 -5.142 1.00 0.00 O ATOM 1151 CB GLU A 76 6.553 17.384 -4.407 1.00 0.00 C ATOM 1152 CG GLU A 76 7.066 16.869 -5.772 1.00 0.00 C ATOM 1153 CD GLU A 76 6.617 15.441 -6.111 1.00 0.00 C ATOM 1154 OE1 GLU A 76 7.098 14.495 -5.453 1.00 0.00 O ATOM 1155 OE2 GLU A 76 5.756 15.266 -7.007 1.00 0.00 O ATOM 0 H GLU A 76 5.049 15.399 -4.378 1.00 0.00 H new ATOM 0 HA GLU A 76 4.747 17.918 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.996 18.361 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.913 16.714 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.720 17.543 -6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.155 16.907 -5.777 1.00 0.00 H new ATOM 1162 N GLU A 77 3.985 17.945 -6.472 1.00 0.00 N ATOM 1163 CA GLU A 77 3.400 18.701 -7.587 1.00 0.00 C ATOM 1164 C GLU A 77 2.034 19.368 -7.226 1.00 0.00 C ATOM 1165 O GLU A 77 1.784 20.503 -7.639 1.00 0.00 O ATOM 1166 CB GLU A 77 3.243 17.752 -8.809 1.00 0.00 C ATOM 1167 CG GLU A 77 2.816 18.428 -10.127 1.00 0.00 C ATOM 1168 CD GLU A 77 3.840 19.451 -10.653 1.00 0.00 C ATOM 1169 OE1 GLU A 77 4.861 19.029 -11.241 1.00 0.00 O ATOM 1170 OE2 GLU A 77 3.625 20.672 -10.494 1.00 0.00 O ATOM 0 H GLU A 77 3.996 16.938 -6.634 1.00 0.00 H new ATOM 0 HA GLU A 77 4.077 19.521 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.192 17.242 -8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.508 16.986 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.659 17.661 -10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.859 18.928 -9.976 1.00 0.00 H new ATOM 1177 N CYS A 78 1.155 18.674 -6.449 1.00 0.00 N ATOM 1178 CA CYS A 78 -0.223 19.190 -6.159 1.00 0.00 C ATOM 1179 C CYS A 78 -0.785 18.675 -4.805 1.00 0.00 C ATOM 1180 O CYS A 78 -1.996 18.689 -4.586 1.00 0.00 O ATOM 1181 CB CYS A 78 -1.185 18.813 -7.313 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.700 17.065 -7.336 1.00 0.00 S ATOM 0 H CYS A 78 1.366 17.774 -6.018 1.00 0.00 H new ATOM 0 HA CYS A 78 -0.148 20.275 -6.080 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.075 19.439 -7.245 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -0.702 19.048 -8.262 1.00 0.00 H new ATOM 1187 N SER A 79 0.121 18.266 -3.901 1.00 0.00 N ATOM 1188 CA SER A 79 -0.174 17.729 -2.537 1.00 0.00 C ATOM 1189 C SER A 79 -1.220 16.573 -2.507 1.00 0.00 C ATOM 1190 O SER A 79 -1.894 16.384 -1.493 1.00 0.00 O ATOM 1191 CB SER A 79 -0.541 18.889 -1.559 1.00 0.00 C ATOM 1192 OG SER A 79 -1.743 19.555 -1.920 1.00 0.00 O ATOM 0 H SER A 79 1.122 18.296 -4.096 1.00 0.00 H new ATOM 0 HA SER A 79 0.747 17.260 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.642 18.489 -0.550 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.276 19.610 -1.536 1.00 0.00 H new ATOM 0 HG SER A 79 -2.052 19.224 -2.789 1.00 0.00 H new ATOM 1198 N THR A 80 -1.302 15.767 -3.600 1.00 0.00 N ATOM 1199 CA THR A 80 -2.201 14.583 -3.660 1.00 0.00 C ATOM 1200 C THR A 80 -1.789 13.534 -2.607 1.00 0.00 C ATOM 1201 O THR A 80 -0.635 13.092 -2.595 1.00 0.00 O ATOM 1202 CB THR A 80 -2.193 13.894 -5.068 1.00 0.00 C ATOM 1203 OG1 THR A 80 -2.463 14.860 -6.078 1.00 0.00 O ATOM 1204 CG2 THR A 80 -3.231 12.761 -5.170 1.00 0.00 C ATOM 0 H THR A 80 -0.757 15.916 -4.449 1.00 0.00 H new ATOM 0 HA THR A 80 -3.206 14.954 -3.459 1.00 0.00 H new ATOM 0 HB THR A 80 -1.204 13.458 -5.207 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.791 15.572 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.187 12.315 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.014 12.000 -4.421 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.229 13.165 -4.998 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.740 13.146 -1.749 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.497 12.196 -0.667 1.00 0.00 C ATOM 1214 C LEU A 81 -2.507 10.744 -1.205 1.00 0.00 C ATOM 1215 O LEU A 81 -3.483 10.298 -1.829 1.00 0.00 O ATOM 1216 CB LEU A 81 -3.553 12.391 0.456 1.00 0.00 C ATOM 1217 CG LEU A 81 -3.292 11.613 1.785 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -1.931 12.009 2.416 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -4.453 11.820 2.789 1.00 0.00 C ATOM 0 H LEU A 81 -3.701 13.485 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.510 12.383 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.616 13.454 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.526 12.091 0.068 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.245 10.552 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.781 11.449 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.126 11.780 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.928 13.077 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.245 11.267 3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.550 12.881 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.383 11.458 2.350 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.384 10.044 -0.986 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.212 8.614 -1.312 1.00 0.00 C ATOM 1233 C PHE A 82 -1.903 7.720 -0.267 1.00 0.00 C ATOM 1234 O PHE A 82 -2.121 6.535 -0.514 1.00 0.00 O ATOM 1235 CB PHE A 82 0.300 8.263 -1.409 1.00 0.00 C ATOM 1236 CG PHE A 82 1.000 8.830 -2.647 1.00 0.00 C ATOM 1237 CD1 PHE A 82 1.116 10.209 -2.848 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.539 7.985 -3.613 1.00 0.00 C ATOM 1239 CE1 PHE A 82 1.743 10.715 -3.968 1.00 0.00 C ATOM 1240 CE2 PHE A 82 2.161 8.498 -4.729 1.00 0.00 C ATOM 1241 CZ PHE A 82 2.268 9.861 -4.908 1.00 0.00 C ATOM 0 H PHE A 82 -0.552 10.461 -0.569 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.681 8.427 -2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.805 8.635 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.410 7.179 -1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.708 10.889 -2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 82 1.468 6.915 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.821 11.783 -4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.569 7.827 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.762 10.256 -5.783 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.217 8.291 0.902 1.00 0.00 N ATOM 1252 CA GLY A 83 -2.947 7.576 1.938 1.00 0.00 C ATOM 1253 C GLY A 83 -2.840 8.258 3.284 1.00 0.00 C ATOM 1254 O GLY A 83 -1.791 8.838 3.602 1.00 0.00 O ATOM 0 H GLY A 83 -1.973 9.250 1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.996 7.499 1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.562 6.559 2.016 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.935 8.195 4.068 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.966 8.709 5.455 1.00 0.00 C ATOM 1260 C GLU A 84 -2.954 7.933 6.312 1.00 0.00 C ATOM 1261 O GLU A 84 -2.295 8.495 7.195 1.00 0.00 O ATOM 1262 CB GLU A 84 -5.395 8.588 6.048 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.478 9.319 5.222 1.00 0.00 C ATOM 1264 CD GLU A 84 -7.910 9.177 5.769 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -8.311 8.060 6.145 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -8.658 10.176 5.790 1.00 0.00 O ATOM 0 H GLU A 84 -4.819 7.789 3.761 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.692 9.764 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.659 7.533 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.393 8.989 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.225 10.378 5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.455 8.939 4.201 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.853 6.627 6.024 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.830 5.747 6.588 1.00 0.00 C ATOM 1275 C TYR A 85 -0.712 5.538 5.540 1.00 0.00 C ATOM 1276 O TYR A 85 -0.977 5.092 4.412 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.458 4.384 7.004 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.581 3.613 7.998 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -1.650 3.910 9.355 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -0.656 2.645 7.589 1.00 0.00 C ATOM 1281 CE1 TYR A 85 -0.848 3.275 10.266 1.00 0.00 C ATOM 1282 CE2 TYR A 85 0.158 2.014 8.504 1.00 0.00 C ATOM 1283 CZ TYR A 85 0.054 2.335 9.842 1.00 0.00 C ATOM 1284 OH TYR A 85 0.869 1.730 10.759 1.00 0.00 O ATOM 0 H TYR A 85 -3.489 6.151 5.385 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.404 6.205 7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.438 4.559 7.449 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.616 3.774 6.115 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.351 4.657 9.698 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.580 2.390 6.542 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.927 3.515 11.316 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.872 1.273 8.176 1.00 0.00 H new ATOM 0 HH TYR A 85 0.676 2.084 11.652 1.00 0.00 H new ATOM 1294 N TYR A 86 0.528 5.892 5.919 1.00 0.00 N ATOM 1295 CA TYR A 86 1.731 5.692 5.090 1.00 0.00 C ATOM 1296 C TYR A 86 2.563 4.545 5.673 1.00 0.00 C ATOM 1297 O TYR A 86 2.610 4.376 6.903 1.00 0.00 O ATOM 1298 CB TYR A 86 2.574 6.997 5.061 1.00 0.00 C ATOM 1299 CG TYR A 86 3.891 6.918 4.251 1.00 0.00 C ATOM 1300 CD1 TYR A 86 3.885 7.011 2.858 1.00 0.00 C ATOM 1301 CD2 TYR A 86 5.138 6.754 4.878 1.00 0.00 C ATOM 1302 CE1 TYR A 86 5.058 6.946 2.128 1.00 0.00 C ATOM 1303 CE2 TYR A 86 6.308 6.687 4.145 1.00 0.00 C ATOM 1304 CZ TYR A 86 6.263 6.784 2.773 1.00 0.00 C ATOM 1305 OH TYR A 86 7.425 6.718 2.039 1.00 0.00 O ATOM 0 H TYR A 86 0.726 6.330 6.819 1.00 0.00 H new ATOM 0 HA TYR A 86 1.434 5.442 4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.960 7.797 4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.814 7.277 6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.946 7.136 2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.183 6.679 5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.028 7.022 1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 86 7.255 6.559 4.648 1.00 0.00 H new ATOM 0 HH TYR A 86 8.195 6.843 2.633 1.00 0.00 H new ATOM 1315 N CYS A 87 3.216 3.764 4.790 1.00 0.00 N ATOM 1316 CA CYS A 87 4.181 2.737 5.204 1.00 0.00 C ATOM 1317 C CYS A 87 5.076 2.374 4.003 1.00 0.00 C ATOM 1318 O CYS A 87 4.602 1.755 3.046 1.00 0.00 O ATOM 1319 CB CYS A 87 3.415 1.497 5.729 1.00 0.00 C ATOM 1320 SG CYS A 87 4.401 0.385 6.766 1.00 0.00 S ATOM 0 H CYS A 87 3.088 3.829 3.780 1.00 0.00 H new ATOM 0 HA CYS A 87 4.816 3.111 6.007 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.551 1.835 6.301 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.033 0.935 4.877 1.00 0.00 H new ATOM 1325 N ASP A 88 6.375 2.737 4.081 1.00 0.00 N ATOM 1326 CA ASP A 88 7.326 2.621 2.944 1.00 0.00 C ATOM 1327 C ASP A 88 7.855 1.188 2.795 1.00 0.00 C ATOM 1328 O ASP A 88 8.047 0.711 1.676 1.00 0.00 O ATOM 1329 CB ASP A 88 8.519 3.607 3.113 1.00 0.00 C ATOM 1330 CG ASP A 88 9.417 3.291 4.327 1.00 0.00 C ATOM 1331 OD1 ASP A 88 8.983 3.532 5.469 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.540 2.764 4.147 1.00 0.00 O ATOM 0 H ASP A 88 6.796 3.118 4.928 1.00 0.00 H new ATOM 0 HA ASP A 88 6.777 2.880 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.126 3.587 2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.130 4.620 3.214 1.00 0.00 H new ATOM 1337 N ILE A 89 8.071 0.513 3.942 1.00 0.00 N ATOM 1338 CA ILE A 89 8.641 -0.848 3.990 1.00 0.00 C ATOM 1339 C ILE A 89 7.690 -1.859 3.319 1.00 0.00 C ATOM 1340 O ILE A 89 8.128 -2.761 2.602 1.00 0.00 O ATOM 1341 CB ILE A 89 8.970 -1.261 5.478 1.00 0.00 C ATOM 1342 CG1 ILE A 89 10.010 -0.262 6.097 1.00 0.00 C ATOM 1343 CG2 ILE A 89 9.471 -2.729 5.587 1.00 0.00 C ATOM 1344 CD1 ILE A 89 10.413 -0.543 7.540 1.00 0.00 C ATOM 0 H ILE A 89 7.855 0.897 4.862 1.00 0.00 H new ATOM 0 HA ILE A 89 9.577 -0.853 3.431 1.00 0.00 H new ATOM 0 HB ILE A 89 8.043 -1.206 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.908 -0.271 5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.596 0.745 6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.684 -2.964 6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.702 -3.405 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.379 -2.848 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.134 0.205 7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 89 9.531 -0.502 8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.863 -1.534 7.606 1.00 0.00 H new ATOM 1356 N CYS A 90 6.380 -1.676 3.543 1.00 0.00 N ATOM 1357 CA CYS A 90 5.340 -2.487 2.884 1.00 0.00 C ATOM 1358 C CYS A 90 4.935 -1.870 1.529 1.00 0.00 C ATOM 1359 O CYS A 90 4.364 -2.559 0.691 1.00 0.00 O ATOM 1360 CB CYS A 90 4.104 -2.590 3.784 1.00 0.00 C ATOM 1361 SG CYS A 90 4.434 -3.130 5.482 1.00 0.00 S ATOM 0 H CYS A 90 6.012 -0.969 4.180 1.00 0.00 H new ATOM 0 HA CYS A 90 5.750 -3.482 2.708 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.615 -1.616 3.817 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.399 -3.285 3.329 1.00 0.00 H new ATOM 1366 N HIS A 91 5.187 -0.552 1.362 1.00 0.00 N ATOM 1367 CA HIS A 91 4.784 0.236 0.161 1.00 0.00 C ATOM 1368 C HIS A 91 3.254 0.308 -0.035 1.00 0.00 C ATOM 1369 O HIS A 91 2.788 0.774 -1.087 1.00 0.00 O ATOM 1370 CB HIS A 91 5.489 -0.275 -1.136 1.00 0.00 C ATOM 1371 CG HIS A 91 6.833 0.350 -1.423 1.00 0.00 C ATOM 1372 ND1 HIS A 91 8.038 -0.232 -1.097 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.141 1.512 -2.048 1.00 0.00 C ATOM 1374 CE1 HIS A 91 9.021 0.540 -1.511 1.00 0.00 C ATOM 1375 NE2 HIS A 91 8.504 1.605 -2.092 1.00 0.00 N ATOM 0 H HIS A 91 5.680 0.005 2.060 1.00 0.00 H new ATOM 0 HA HIS A 91 5.123 1.254 0.353 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.617 -1.355 -1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.831 -0.091 -1.985 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.438 2.233 -2.440 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.075 0.335 -1.394 1.00 0.00 H new ATOM 0 HE2 HIS A 91 9.034 2.372 -2.506 1.00 0.00 H new ATOM 1384 N LEU A 92 2.469 -0.115 0.977 1.00 0.00 N ATOM 1385 CA LEU A 92 1.009 -0.026 0.912 1.00 0.00 C ATOM 1386 C LEU A 92 0.607 1.331 1.502 1.00 0.00 C ATOM 1387 O LEU A 92 0.916 1.648 2.664 1.00 0.00 O ATOM 1388 CB LEU A 92 0.315 -1.258 1.591 1.00 0.00 C ATOM 1389 CG LEU A 92 0.402 -1.431 3.157 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.771 -0.726 3.902 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.465 -2.929 3.550 1.00 0.00 C ATOM 0 H LEU A 92 2.827 -0.519 1.843 1.00 0.00 H new ATOM 0 HA LEU A 92 0.659 -0.072 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.741 -1.227 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.732 -2.158 1.139 1.00 0.00 H new ATOM 0 HG LEU A 92 1.325 -0.944 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.662 -0.876 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.753 0.341 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.719 -1.149 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.524 -3.018 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.431 -3.437 3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.346 -3.387 3.099 1.00 0.00 H new ATOM 1403 N PHE A 93 0.061 2.181 0.634 1.00 0.00 N ATOM 1404 CA PHE A 93 -0.412 3.521 0.983 1.00 0.00 C ATOM 1405 C PHE A 93 -1.936 3.504 0.827 1.00 0.00 C ATOM 1406 O PHE A 93 -2.437 3.137 -0.234 1.00 0.00 O ATOM 1407 CB PHE A 93 0.257 4.579 0.050 1.00 0.00 C ATOM 1408 CG PHE A 93 1.781 4.443 -0.118 1.00 0.00 C ATOM 1409 CD1 PHE A 93 2.607 4.117 0.965 1.00 0.00 C ATOM 1410 CD2 PHE A 93 2.386 4.651 -1.362 1.00 0.00 C ATOM 1411 CE1 PHE A 93 3.972 3.997 0.802 1.00 0.00 C ATOM 1412 CE2 PHE A 93 3.756 4.531 -1.520 1.00 0.00 C ATOM 1413 CZ PHE A 93 4.550 4.203 -0.435 1.00 0.00 C ATOM 0 H PHE A 93 -0.068 1.953 -0.352 1.00 0.00 H new ATOM 0 HA PHE A 93 -0.147 3.792 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.207 4.515 -0.934 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.039 5.573 0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.170 3.958 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.774 4.910 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.593 3.740 1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.205 4.693 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.619 4.108 -0.555 1.00 0.00 H new ATOM 1423 N ASP A 94 -2.665 3.848 1.877 1.00 0.00 N ATOM 1424 CA ASP A 94 -4.133 3.691 1.911 1.00 0.00 C ATOM 1425 C ASP A 94 -4.717 4.609 2.979 1.00 0.00 C ATOM 1426 O ASP A 94 -3.991 5.061 3.865 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.482 2.189 2.186 1.00 0.00 C ATOM 1428 CG ASP A 94 -5.988 1.867 2.320 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -6.801 2.416 1.543 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -6.359 1.040 3.185 1.00 0.00 O ATOM 0 H ASP A 94 -2.271 4.243 2.731 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.569 3.972 0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.070 1.585 1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.980 1.880 3.103 1.00 0.00 H new ATOM 1435 N LYS A 95 -6.024 4.908 2.868 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.773 5.577 3.937 1.00 0.00 C ATOM 1437 C LYS A 95 -6.684 4.755 5.236 1.00 0.00 C ATOM 1438 O LYS A 95 -6.436 3.542 5.212 1.00 0.00 O ATOM 1439 CB LYS A 95 -8.263 5.757 3.542 1.00 0.00 C ATOM 1440 CG LYS A 95 -8.553 6.888 2.537 1.00 0.00 C ATOM 1441 CD LYS A 95 -10.060 6.980 2.182 1.00 0.00 C ATOM 1442 CE LYS A 95 -10.965 7.234 3.401 1.00 0.00 C ATOM 1443 NZ LYS A 95 -10.637 8.498 4.111 1.00 0.00 N ATOM 0 H LYS A 95 -6.582 4.694 2.042 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.332 6.561 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.624 4.819 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.841 5.943 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.221 7.838 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.976 6.721 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.206 7.782 1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.368 6.053 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.005 7.265 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.874 6.399 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.274 8.279 5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.914 9.019 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.494 9.082 4.194 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.913 5.416 6.356 1.00 0.00 N ATOM 1458 CA ASP A 96 -6.915 4.772 7.655 1.00 0.00 C ATOM 1459 C ASP A 96 -8.312 4.200 7.901 1.00 0.00 C ATOM 1460 O ASP A 96 -9.286 4.940 8.065 1.00 0.00 O ATOM 1461 CB ASP A 96 -6.516 5.774 8.766 1.00 0.00 C ATOM 1462 CG ASP A 96 -6.706 5.181 10.179 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -6.004 4.204 10.525 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -7.591 5.652 10.929 1.00 0.00 O ATOM 0 H ASP A 96 -7.103 6.418 6.390 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.181 3.967 7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.474 6.066 8.633 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.116 6.679 8.670 1.00 0.00 H new ATOM 1469 N LYS A 97 -8.394 2.869 7.886 1.00 0.00 N ATOM 1470 CA LYS A 97 -9.585 2.124 8.305 1.00 0.00 C ATOM 1471 C LYS A 97 -9.232 1.461 9.637 1.00 0.00 C ATOM 1472 O LYS A 97 -9.301 0.224 9.788 1.00 0.00 O ATOM 1473 CB LYS A 97 -10.015 1.071 7.231 1.00 0.00 C ATOM 1474 CG LYS A 97 -10.423 1.631 5.841 1.00 0.00 C ATOM 1475 CD LYS A 97 -9.225 1.999 4.935 1.00 0.00 C ATOM 1476 CE LYS A 97 -9.643 2.326 3.488 1.00 0.00 C ATOM 1477 NZ LYS A 97 -10.762 3.292 3.420 1.00 0.00 N ATOM 0 H LYS A 97 -7.627 2.270 7.579 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.440 2.790 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.191 0.371 7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.854 0.500 7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.039 0.891 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.042 2.517 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.705 2.858 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.517 1.171 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.786 2.731 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.932 1.405 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.946 3.541 2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.615 2.865 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.512 4.151 3.951 1.00 0.00 H new ATOM 1491 N LYS A 98 -8.772 2.325 10.580 1.00 0.00 N ATOM 1492 CA LYS A 98 -8.321 1.930 11.923 1.00 0.00 C ATOM 1493 C LYS A 98 -7.073 1.021 11.873 1.00 0.00 C ATOM 1494 O LYS A 98 -6.693 0.435 12.893 1.00 0.00 O ATOM 1495 CB LYS A 98 -9.501 1.267 12.703 1.00 0.00 C ATOM 1496 CG LYS A 98 -10.734 2.180 12.985 1.00 0.00 C ATOM 1497 CD LYS A 98 -10.644 2.977 14.316 1.00 0.00 C ATOM 1498 CE LYS A 98 -9.507 4.007 14.363 1.00 0.00 C ATOM 1499 NZ LYS A 98 -9.418 4.678 15.687 1.00 0.00 N ATOM 0 H LYS A 98 -8.707 3.330 10.417 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.015 2.827 12.461 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.839 0.397 12.140 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.120 0.901 13.656 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.848 2.883 12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.632 1.563 13.004 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.591 3.491 14.482 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.515 2.274 15.138 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.561 3.513 14.143 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.664 4.756 13.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.467 5.081 15.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.126 5.438 15.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.599 3.984 16.441 1.00 0.00 H new ATOM 1513 N GLN A 99 -6.392 0.993 10.696 1.00 0.00 N ATOM 1514 CA GLN A 99 -5.318 0.020 10.400 1.00 0.00 C ATOM 1515 C GLN A 99 -4.004 0.402 11.113 1.00 0.00 C ATOM 1516 O GLN A 99 -3.743 1.584 11.387 1.00 0.00 O ATOM 1517 CB GLN A 99 -5.084 -0.120 8.864 1.00 0.00 C ATOM 1518 CG GLN A 99 -4.537 1.144 8.163 1.00 0.00 C ATOM 1519 CD GLN A 99 -4.110 0.888 6.711 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -2.970 0.500 6.447 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -5.006 1.115 5.764 1.00 0.00 N ATOM 0 H GLN A 99 -6.575 1.644 9.932 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.645 -0.947 10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.388 -0.941 8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.027 -0.398 8.393 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.301 1.921 8.179 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.684 1.524 8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.942 1.436 6.013 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.761 0.969 4.785 1.00 0.00 H new ATOM 1530 N TYR A 100 -3.173 -0.617 11.360 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.970 -0.523 12.209 1.00 0.00 C ATOM 1532 C TYR A 100 -0.834 -1.348 11.588 1.00 0.00 C ATOM 1533 O TYR A 100 -1.093 -2.421 11.021 1.00 0.00 O ATOM 1534 CB TYR A 100 -2.307 -1.075 13.631 1.00 0.00 C ATOM 1535 CG TYR A 100 -2.755 -2.561 13.650 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -4.064 -2.931 13.310 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -1.854 -3.588 13.957 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -4.448 -4.255 13.283 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -2.235 -4.911 13.918 1.00 0.00 C ATOM 1540 CZ TYR A 100 -3.529 -5.239 13.581 1.00 0.00 C ATOM 1541 OH TYR A 100 -3.902 -6.563 13.530 1.00 0.00 O ATOM 0 H TYR A 100 -3.316 -1.549 10.971 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.653 0.517 12.285 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.430 -0.964 14.268 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.097 -0.464 14.067 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.785 -2.165 13.065 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.840 -3.338 14.230 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.464 -4.520 13.030 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.522 -5.688 14.151 1.00 0.00 H new ATOM 0 HH TYR A 100 -4.652 -6.715 14.142 1.00 0.00 H new ATOM 1551 N HIS A 101 0.420 -0.858 11.672 1.00 0.00 N ATOM 1552 CA HIS A 101 1.599 -1.669 11.314 1.00 0.00 C ATOM 1553 C HIS A 101 2.177 -2.293 12.583 1.00 0.00 C ATOM 1554 O HIS A 101 2.636 -1.592 13.491 1.00 0.00 O ATOM 1555 CB HIS A 101 2.697 -0.874 10.530 1.00 0.00 C ATOM 1556 CG HIS A 101 3.913 -1.728 10.166 1.00 0.00 C ATOM 1557 ND1 HIS A 101 3.991 -2.460 8.973 1.00 0.00 N ATOM 1558 CD2 HIS A 101 4.989 -2.035 10.942 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.086 -3.196 9.124 1.00 0.00 C ATOM 1560 NE2 HIS A 101 5.711 -2.967 10.278 1.00 0.00 N ATOM 0 H HIS A 101 0.640 0.088 11.982 1.00 0.00 H new ATOM 0 HA HIS A 101 1.263 -2.447 10.628 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.260 -0.467 9.618 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.023 -0.027 11.133 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.223 -1.613 11.908 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.434 -3.906 8.388 1.00 0.00 H new ATOM 0 HE2 HIS A 101 6.571 -3.410 10.600 1.00 0.00 H new ATOM 1568 N CYS A 102 2.123 -3.616 12.622 1.00 0.00 N ATOM 1569 CA CYS A 102 2.788 -4.429 13.631 1.00 0.00 C ATOM 1570 C CYS A 102 4.102 -4.942 13.046 1.00 0.00 C ATOM 1571 O CYS A 102 4.076 -5.631 12.019 1.00 0.00 O ATOM 1572 CB CYS A 102 1.883 -5.612 13.986 1.00 0.00 C ATOM 1573 SG CYS A 102 2.566 -6.778 15.199 1.00 0.00 S ATOM 0 H CYS A 102 1.604 -4.167 11.938 1.00 0.00 H new ATOM 0 HA CYS A 102 2.987 -3.844 14.529 1.00 0.00 H new ATOM 0 HB2 CYS A 102 0.940 -5.224 14.371 1.00 0.00 H new ATOM 0 HB3 CYS A 102 1.653 -6.159 13.072 1.00 0.00 H new ATOM 1578 N GLU A 103 5.243 -4.584 13.665 1.00 0.00 N ATOM 1579 CA GLU A 103 6.577 -5.043 13.216 1.00 0.00 C ATOM 1580 C GLU A 103 6.785 -6.533 13.542 1.00 0.00 C ATOM 1581 O GLU A 103 7.535 -7.223 12.851 1.00 0.00 O ATOM 1582 CB GLU A 103 7.699 -4.186 13.851 1.00 0.00 C ATOM 1583 CG GLU A 103 7.581 -2.678 13.561 1.00 0.00 C ATOM 1584 CD GLU A 103 8.805 -1.878 14.031 1.00 0.00 C ATOM 1585 OE1 GLU A 103 8.976 -1.694 15.253 1.00 0.00 O ATOM 1586 OE2 GLU A 103 9.603 -1.431 13.178 1.00 0.00 O ATOM 0 H GLU A 103 5.270 -3.975 14.483 1.00 0.00 H new ATOM 0 HA GLU A 103 6.625 -4.921 12.134 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.691 -4.339 14.930 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.663 -4.541 13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.446 -2.529 12.490 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.689 -2.288 14.051 1.00 0.00 H new ATOM 1593 N ASN A 104 6.088 -7.017 14.588 1.00 0.00 N ATOM 1594 CA ASN A 104 6.129 -8.428 15.012 1.00 0.00 C ATOM 1595 C ASN A 104 5.411 -9.354 13.995 1.00 0.00 C ATOM 1596 O ASN A 104 5.851 -10.479 13.756 1.00 0.00 O ATOM 1597 CB ASN A 104 5.507 -8.557 16.415 1.00 0.00 C ATOM 1598 CG ASN A 104 6.316 -7.875 17.525 1.00 0.00 C ATOM 1599 OD1 ASN A 104 6.160 -6.683 17.789 1.00 0.00 O ATOM 1600 ND2 ASN A 104 7.185 -8.623 18.177 1.00 0.00 N ATOM 0 H ASN A 104 5.478 -6.437 15.164 1.00 0.00 H new ATOM 0 HA ASN A 104 7.170 -8.750 15.049 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.504 -8.130 16.397 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.399 -9.614 16.657 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.750 -8.216 18.923 1.00 0.00 H new ATOM 0 HD22 ASN A 104 7.292 -9.608 17.936 1.00 0.00 H new ATOM 1607 N CYS A 105 4.285 -8.878 13.415 1.00 0.00 N ATOM 1608 CA CYS A 105 3.622 -9.569 12.271 1.00 0.00 C ATOM 1609 C CYS A 105 4.357 -9.223 10.959 1.00 0.00 C ATOM 1610 O CYS A 105 4.336 -9.994 10.000 1.00 0.00 O ATOM 1611 CB CYS A 105 2.116 -9.196 12.161 1.00 0.00 C ATOM 1612 SG CYS A 105 1.071 -9.819 13.518 1.00 0.00 S ATOM 0 H CYS A 105 3.814 -8.024 13.714 1.00 0.00 H new ATOM 0 HA CYS A 105 3.677 -10.643 12.450 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.027 -8.110 12.122 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.729 -9.581 11.218 1.00 0.00 H new ATOM 1617 N GLY A 106 4.994 -8.039 10.948 1.00 0.00 N ATOM 1618 CA GLY A 106 5.808 -7.571 9.817 1.00 0.00 C ATOM 1619 C GLY A 106 5.003 -6.840 8.750 1.00 0.00 C ATOM 1620 O GLY A 106 5.549 -6.458 7.711 1.00 0.00 O ATOM 0 H GLY A 106 4.958 -7.380 11.726 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.588 -6.907 10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.308 -8.426 9.362 1.00 0.00 H new ATOM 1624 N ILE A 107 3.696 -6.618 9.019 1.00 0.00 N ATOM 1625 CA ILE A 107 2.743 -6.052 8.032 1.00 0.00 C ATOM 1626 C ILE A 107 1.793 -5.045 8.704 1.00 0.00 C ATOM 1627 O ILE A 107 1.778 -4.888 9.933 1.00 0.00 O ATOM 1628 CB ILE A 107 1.859 -7.175 7.341 1.00 0.00 C ATOM 1629 CG1 ILE A 107 1.052 -7.981 8.423 1.00 0.00 C ATOM 1630 CG2 ILE A 107 2.716 -8.115 6.449 1.00 0.00 C ATOM 1631 CD1 ILE A 107 -0.028 -8.891 7.865 1.00 0.00 C ATOM 0 H ILE A 107 3.272 -6.825 9.923 1.00 0.00 H new ATOM 0 HA ILE A 107 3.349 -5.557 7.273 1.00 0.00 H new ATOM 0 HB ILE A 107 1.145 -6.682 6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.751 -8.583 9.003 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.591 -7.274 9.113 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.074 -8.870 5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.201 -7.532 5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.475 -8.604 7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.530 -9.405 8.685 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.754 -8.296 7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.424 -9.626 7.199 1.00 0.00 H new ATOM 1643 N CYS A 108 1.000 -4.374 7.857 1.00 0.00 N ATOM 1644 CA CYS A 108 -0.167 -3.579 8.262 1.00 0.00 C ATOM 1645 C CYS A 108 -1.375 -4.052 7.449 1.00 0.00 C ATOM 1646 O CYS A 108 -1.298 -4.140 6.219 1.00 0.00 O ATOM 1647 CB CYS A 108 0.086 -2.060 8.075 1.00 0.00 C ATOM 1648 SG CYS A 108 1.161 -1.639 6.691 1.00 0.00 S ATOM 0 H CYS A 108 1.156 -4.369 6.849 1.00 0.00 H new ATOM 0 HA CYS A 108 -0.360 -3.727 9.325 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.873 -1.560 7.937 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.524 -1.663 8.991 1.00 0.00 H new ATOM 1653 N ARG A 109 -2.470 -4.373 8.148 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.690 -4.933 7.544 1.00 0.00 C ATOM 1655 C ARG A 109 -4.899 -4.251 8.215 1.00 0.00 C ATOM 1656 O ARG A 109 -4.801 -3.820 9.378 1.00 0.00 O ATOM 1657 CB ARG A 109 -3.681 -6.497 7.722 1.00 0.00 C ATOM 1658 CG ARG A 109 -4.658 -7.308 6.813 1.00 0.00 C ATOM 1659 CD ARG A 109 -6.100 -7.403 7.348 1.00 0.00 C ATOM 1660 NE ARG A 109 -7.018 -8.020 6.369 1.00 0.00 N ATOM 1661 CZ ARG A 109 -8.349 -8.150 6.528 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -8.955 -7.699 7.618 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -9.076 -8.724 5.578 1.00 0.00 N ATOM 0 H ARG A 109 -2.537 -4.251 9.158 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.746 -4.742 6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -2.668 -6.855 7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.916 -6.723 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.680 -6.848 5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.264 -8.316 6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -6.107 -7.987 8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.458 -6.405 7.601 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.612 -8.376 5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -8.412 -7.245 8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.964 -7.806 7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.627 -9.066 4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -10.084 -8.823 5.697 1.00 0.00 H new ATOM 1677 N ILE A 110 -6.014 -4.139 7.464 1.00 0.00 N ATOM 1678 CA ILE A 110 -7.256 -3.496 7.932 1.00 0.00 C ATOM 1679 C ILE A 110 -7.802 -4.211 9.195 1.00 0.00 C ATOM 1680 O ILE A 110 -8.199 -5.377 9.135 1.00 0.00 O ATOM 1681 CB ILE A 110 -8.352 -3.482 6.794 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -7.803 -2.808 5.485 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -9.654 -2.789 7.277 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -7.312 -1.371 5.652 1.00 0.00 C ATOM 0 H ILE A 110 -6.077 -4.495 6.510 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.019 -2.464 8.191 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.596 -4.518 6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.982 -3.413 5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.590 -2.821 4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.389 -2.795 6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.054 -3.325 8.138 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.435 -1.760 7.561 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.953 -0.995 4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.132 -0.745 6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.500 -1.346 6.378 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.776 -3.494 10.323 1.00 0.00 N ATOM 1697 CA GLY A 111 -8.179 -4.024 11.617 1.00 0.00 C ATOM 1698 C GLY A 111 -8.079 -2.938 12.658 1.00 0.00 C ATOM 1699 O GLY A 111 -7.079 -2.222 12.644 1.00 0.00 O ATOM 0 H GLY A 111 -7.471 -2.521 10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.201 -4.400 11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.543 -4.865 11.892 1.00 0.00 H new ATOM 1703 N PRO A 112 -9.085 -2.758 13.568 1.00 0.00 N ATOM 1704 CA PRO A 112 -9.014 -1.710 14.588 1.00 0.00 C ATOM 1705 C PRO A 112 -7.926 -2.022 15.628 1.00 0.00 C ATOM 1706 O PRO A 112 -8.003 -3.015 16.353 1.00 0.00 O ATOM 1707 CB PRO A 112 -10.440 -1.667 15.173 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.963 -3.054 14.971 1.00 0.00 C ATOM 1709 CD PRO A 112 -10.339 -3.551 13.679 1.00 0.00 C ATOM 0 HA PRO A 112 -8.724 -0.736 14.195 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.429 -1.396 16.229 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -11.058 -0.930 14.661 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.694 -3.698 15.808 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -12.051 -3.055 14.905 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -10.135 -4.621 13.718 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.996 -3.383 12.826 1.00 0.00 H new ATOM 1717 N LYS A 113 -6.910 -1.152 15.650 1.00 0.00 N ATOM 1718 CA LYS A 113 -5.694 -1.298 16.477 1.00 0.00 C ATOM 1719 C LYS A 113 -6.021 -1.369 17.986 1.00 0.00 C ATOM 1720 O LYS A 113 -5.287 -1.978 18.766 1.00 0.00 O ATOM 1721 CB LYS A 113 -4.742 -0.109 16.179 1.00 0.00 C ATOM 1722 CG LYS A 113 -5.342 1.293 16.482 1.00 0.00 C ATOM 1723 CD LYS A 113 -4.522 2.456 15.874 1.00 0.00 C ATOM 1724 CE LYS A 113 -4.517 2.418 14.341 1.00 0.00 C ATOM 1725 NZ LYS A 113 -3.813 3.574 13.738 1.00 0.00 N ATOM 0 H LYS A 113 -6.905 -0.305 15.082 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.210 -2.240 16.219 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.831 -0.234 16.765 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.453 -0.147 15.129 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.360 1.335 16.096 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.405 1.428 17.562 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.936 3.406 16.211 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.497 2.407 16.241 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -4.042 1.495 14.007 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.545 2.396 13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.557 3.350 12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.436 4.406 13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.951 3.778 14.282 1.00 0.00 H new ATOM 1739 N GLU A 114 -7.128 -0.719 18.364 1.00 0.00 N ATOM 1740 CA GLU A 114 -7.683 -0.745 19.729 1.00 0.00 C ATOM 1741 C GLU A 114 -8.211 -2.148 20.098 1.00 0.00 C ATOM 1742 O GLU A 114 -8.044 -2.595 21.236 1.00 0.00 O ATOM 1743 CB GLU A 114 -8.811 0.325 19.882 1.00 0.00 C ATOM 1744 CG GLU A 114 -9.862 0.373 18.728 1.00 0.00 C ATOM 1745 CD GLU A 114 -9.539 1.425 17.641 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -9.969 2.590 17.779 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -8.834 1.106 16.662 1.00 0.00 O ATOM 0 H GLU A 114 -7.676 -0.148 17.720 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.876 -0.503 20.421 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.336 0.141 20.819 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.346 1.307 19.965 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.924 -0.611 18.263 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.844 0.588 19.150 1.00 0.00 H new ATOM 1754 N ASP A 115 -8.842 -2.828 19.128 1.00 0.00 N ATOM 1755 CA ASP A 115 -9.428 -4.169 19.331 1.00 0.00 C ATOM 1756 C ASP A 115 -8.440 -5.281 18.906 1.00 0.00 C ATOM 1757 O ASP A 115 -8.745 -6.461 19.012 1.00 0.00 O ATOM 1758 CB ASP A 115 -10.776 -4.264 18.553 1.00 0.00 C ATOM 1759 CG ASP A 115 -11.531 -5.604 18.736 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -11.987 -5.892 19.859 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -11.688 -6.359 17.754 1.00 0.00 O ATOM 0 H ASP A 115 -8.962 -2.467 18.181 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.627 -4.318 20.392 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -11.425 -3.449 18.875 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.579 -4.115 17.491 1.00 0.00 H new ATOM 1766 N PHE A 116 -7.234 -4.900 18.452 1.00 0.00 N ATOM 1767 CA PHE A 116 -6.181 -5.864 18.068 1.00 0.00 C ATOM 1768 C PHE A 116 -4.953 -5.735 18.978 1.00 0.00 C ATOM 1769 O PHE A 116 -4.476 -4.631 19.258 1.00 0.00 O ATOM 1770 CB PHE A 116 -5.788 -5.696 16.572 1.00 0.00 C ATOM 1771 CG PHE A 116 -6.659 -6.521 15.626 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -6.305 -7.829 15.301 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -7.832 -6.008 15.080 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -7.087 -8.592 14.464 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -8.613 -6.773 14.238 1.00 0.00 C ATOM 1776 CZ PHE A 116 -8.243 -8.066 13.932 1.00 0.00 C ATOM 0 H PHE A 116 -6.960 -3.924 18.340 1.00 0.00 H new ATOM 0 HA PHE A 116 -6.586 -6.868 18.197 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -5.862 -4.643 16.299 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -4.745 -5.986 16.442 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -5.401 -8.252 15.713 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -8.135 -4.999 15.318 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.794 -9.603 14.224 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -9.517 -6.358 13.817 1.00 0.00 H new ATOM 0 HZ PHE A 116 -8.858 -8.664 13.277 1.00 0.00 H new ATOM 1786 N PHE A 117 -4.451 -6.897 19.419 1.00 0.00 N ATOM 1787 CA PHE A 117 -3.216 -7.031 20.208 1.00 0.00 C ATOM 1788 C PHE A 117 -2.340 -8.110 19.554 1.00 0.00 C ATOM 1789 O PHE A 117 -2.857 -9.009 18.870 1.00 0.00 O ATOM 1790 CB PHE A 117 -3.540 -7.413 21.687 1.00 0.00 C ATOM 1791 CG PHE A 117 -4.161 -8.806 21.869 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -5.520 -9.021 21.642 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -3.376 -9.904 22.237 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -6.070 -10.276 21.780 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -3.930 -11.158 22.368 1.00 0.00 C ATOM 1796 CZ PHE A 117 -5.276 -11.342 22.141 1.00 0.00 C ATOM 0 H PHE A 117 -4.903 -7.792 19.233 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.686 -6.079 20.224 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.621 -7.361 22.271 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.222 -6.669 22.099 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.150 -8.192 21.354 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.321 -9.766 22.421 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.125 -10.425 21.605 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.310 -11.996 22.648 1.00 0.00 H new ATOM 0 HZ PHE A 117 -5.710 -12.325 22.246 1.00 0.00 H new ATOM 1806 N HIS A 118 -1.023 -8.030 19.765 1.00 0.00 N ATOM 1807 CA HIS A 118 -0.089 -9.068 19.312 1.00 0.00 C ATOM 1808 C HIS A 118 0.073 -10.139 20.409 1.00 0.00 C ATOM 1809 O HIS A 118 0.126 -9.813 21.600 1.00 0.00 O ATOM 1810 CB HIS A 118 1.279 -8.444 18.939 1.00 0.00 C ATOM 1811 CG HIS A 118 2.215 -9.427 18.289 1.00 0.00 C ATOM 1812 ND1 HIS A 118 1.988 -9.839 16.995 1.00 0.00 N ATOM 1813 CD2 HIS A 118 3.260 -10.114 18.808 1.00 0.00 C ATOM 1814 CE1 HIS A 118 2.880 -10.794 16.781 1.00 0.00 C ATOM 1815 NE2 HIS A 118 3.669 -10.985 17.843 1.00 0.00 N ATOM 0 H HIS A 118 -0.576 -7.252 20.250 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.492 -9.544 18.418 1.00 0.00 H new ATOM 0 HB2 HIS A 118 1.117 -7.604 18.264 1.00 0.00 H new ATOM 0 HB3 HIS A 118 1.747 -8.045 19.838 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.686 -9.995 19.793 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.960 -11.351 15.859 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.433 -11.656 17.917 1.00 0.00 H new ATOM 1823 N CYS A 119 0.151 -11.411 19.996 1.00 0.00 N ATOM 1824 CA CYS A 119 0.378 -12.547 20.914 1.00 0.00 C ATOM 1825 C CYS A 119 1.805 -13.083 20.666 1.00 0.00 C ATOM 1826 O CYS A 119 2.239 -13.140 19.508 1.00 0.00 O ATOM 1827 CB CYS A 119 -0.705 -13.621 20.658 1.00 0.00 C ATOM 1828 SG CYS A 119 -0.806 -14.955 21.895 1.00 0.00 S ATOM 0 H CYS A 119 0.059 -11.687 19.018 1.00 0.00 H new ATOM 0 HA CYS A 119 0.301 -12.246 21.959 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -1.675 -13.126 20.604 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -0.522 -14.070 19.682 1.00 0.00 H new ATOM 1833 N LEU A 120 2.538 -13.439 21.748 1.00 0.00 N ATOM 1834 CA LEU A 120 3.972 -13.836 21.666 1.00 0.00 C ATOM 1835 C LEU A 120 4.121 -15.117 20.817 1.00 0.00 C ATOM 1836 O LEU A 120 4.872 -15.145 19.829 1.00 0.00 O ATOM 1837 CB LEU A 120 4.608 -14.016 23.085 1.00 0.00 C ATOM 1838 CG LEU A 120 4.815 -12.701 23.927 1.00 0.00 C ATOM 1839 CD1 LEU A 120 3.479 -12.096 24.421 1.00 0.00 C ATOM 1840 CD2 LEU A 120 5.783 -12.935 25.114 1.00 0.00 C ATOM 0 H LEU A 120 2.160 -13.461 22.695 1.00 0.00 H new ATOM 0 HA LEU A 120 4.518 -13.030 21.177 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.977 -14.695 23.659 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.576 -14.503 22.967 1.00 0.00 H new ATOM 0 HG LEU A 120 5.268 -11.973 23.253 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.680 -11.192 24.996 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.852 -11.850 23.564 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.963 -12.820 25.052 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.903 -12.007 25.674 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.375 -13.704 25.770 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.752 -13.258 24.735 1.00 0.00 H new ATOM 1852 N LYS A 121 3.412 -16.177 21.230 1.00 0.00 N ATOM 1853 CA LYS A 121 3.106 -17.315 20.353 1.00 0.00 C ATOM 1854 C LYS A 121 1.761 -16.998 19.682 1.00 0.00 C ATOM 1855 O LYS A 121 0.934 -16.343 20.307 1.00 0.00 O ATOM 1856 CB LYS A 121 3.051 -18.647 21.155 1.00 0.00 C ATOM 1857 CG LYS A 121 3.153 -19.910 20.269 1.00 0.00 C ATOM 1858 CD LYS A 121 3.130 -21.249 21.047 1.00 0.00 C ATOM 1859 CE LYS A 121 4.295 -21.448 22.048 1.00 0.00 C ATOM 1860 NZ LYS A 121 4.156 -20.650 23.299 1.00 0.00 N ATOM 0 H LYS A 121 3.037 -16.269 22.174 1.00 0.00 H new ATOM 0 HA LYS A 121 3.885 -17.454 19.604 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.863 -18.657 21.882 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.119 -18.683 21.718 1.00 0.00 H new ATOM 0 HG2 LYS A 121 2.328 -19.905 19.556 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.075 -19.858 19.690 1.00 0.00 H new ATOM 0 HD2 LYS A 121 2.188 -21.319 21.591 1.00 0.00 H new ATOM 0 HD3 LYS A 121 3.145 -22.069 20.329 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.362 -22.504 22.308 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.232 -21.180 21.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.788 -19.825 23.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.172 -20.328 23.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.411 -21.240 24.117 1.00 0.00 H new ATOM 1874 N CYS A 122 1.539 -17.512 18.458 1.00 0.00 N ATOM 1875 CA CYS A 122 0.556 -16.982 17.488 1.00 0.00 C ATOM 1876 C CYS A 122 1.148 -15.679 16.915 1.00 0.00 C ATOM 1877 O CYS A 122 0.923 -14.591 17.462 1.00 0.00 O ATOM 1878 CB CYS A 122 -0.895 -16.732 18.055 1.00 0.00 C ATOM 1879 SG CYS A 122 -1.459 -17.858 19.381 1.00 0.00 S ATOM 0 H CYS A 122 2.047 -18.324 18.106 1.00 0.00 H new ATOM 0 HA CYS A 122 0.403 -17.746 16.726 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -0.942 -15.710 18.432 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -1.601 -16.799 17.227 1.00 0.00 H new ATOM 1884 N ASN A 123 1.933 -15.809 15.826 1.00 0.00 N ATOM 1885 CA ASN A 123 2.722 -14.698 15.219 1.00 0.00 C ATOM 1886 C ASN A 123 1.831 -13.596 14.590 1.00 0.00 C ATOM 1887 O ASN A 123 2.336 -12.552 14.152 1.00 0.00 O ATOM 1888 CB ASN A 123 3.695 -15.278 14.149 1.00 0.00 C ATOM 1889 CG ASN A 123 4.767 -16.230 14.711 1.00 0.00 C ATOM 1890 OD1 ASN A 123 4.595 -16.862 15.755 1.00 0.00 O ATOM 1891 ND2 ASN A 123 5.878 -16.360 14.002 1.00 0.00 N ATOM 0 H ASN A 123 2.044 -16.695 15.332 1.00 0.00 H new ATOM 0 HA ASN A 123 3.284 -14.222 16.023 1.00 0.00 H new ATOM 0 HB2 ASN A 123 3.113 -15.810 13.397 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.191 -14.451 13.641 1.00 0.00 H new ATOM 0 HD21 ASN A 123 6.613 -16.993 14.317 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.999 -15.827 13.141 1.00 0.00 H new ATOM 1898 N LEU A 124 0.516 -13.840 14.559 1.00 0.00 N ATOM 1899 CA LEU A 124 -0.486 -12.903 14.041 1.00 0.00 C ATOM 1900 C LEU A 124 -1.018 -12.027 15.200 1.00 0.00 C ATOM 1901 O LEU A 124 -0.803 -12.338 16.380 1.00 0.00 O ATOM 1902 CB LEU A 124 -1.637 -13.717 13.373 1.00 0.00 C ATOM 1903 CG LEU A 124 -2.720 -12.906 12.585 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -2.098 -12.132 11.398 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -3.870 -13.826 12.112 1.00 0.00 C ATOM 0 H LEU A 124 0.111 -14.712 14.900 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.044 -12.244 13.294 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.189 -14.437 12.688 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.142 -14.289 14.151 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.141 -12.170 13.270 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.879 -11.581 10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.349 -11.434 11.771 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.628 -12.836 10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.607 -13.236 11.568 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.470 -14.601 11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.344 -14.290 12.977 1.00 0.00 H new ATOM 1917 N CYS A 125 -1.670 -10.908 14.858 1.00 0.00 N ATOM 1918 CA CYS A 125 -2.435 -10.109 15.825 1.00 0.00 C ATOM 1919 C CYS A 125 -3.882 -10.603 15.855 1.00 0.00 C ATOM 1920 O CYS A 125 -4.513 -10.773 14.806 1.00 0.00 O ATOM 1921 CB CYS A 125 -2.372 -8.609 15.499 1.00 0.00 C ATOM 1922 SG CYS A 125 -0.902 -7.804 16.175 1.00 0.00 S ATOM 0 H CYS A 125 -1.683 -10.533 13.910 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.989 -10.236 16.811 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -2.388 -8.476 14.417 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -3.262 -8.119 15.893 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.380 -10.848 17.072 1.00 0.00 N ATOM 1928 CA LEU A 126 -5.729 -11.377 17.310 1.00 0.00 C ATOM 1929 C LEU A 126 -6.593 -10.287 17.951 1.00 0.00 C ATOM 1930 O LEU A 126 -6.064 -9.320 18.511 1.00 0.00 O ATOM 1931 CB LEU A 126 -5.674 -12.648 18.216 1.00 0.00 C ATOM 1932 CG LEU A 126 -4.777 -13.844 17.709 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -4.957 -14.115 16.201 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -3.286 -13.645 18.067 1.00 0.00 C ATOM 0 H LEU A 126 -3.852 -10.683 17.929 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.172 -11.671 16.358 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.316 -12.348 19.201 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.691 -13.017 18.346 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.126 -14.730 18.239 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.319 -14.946 15.902 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.998 -14.366 15.998 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.681 -13.225 15.636 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.707 -14.492 17.699 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.920 -12.728 17.606 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.178 -13.575 19.149 1.00 0.00 H new ATOM 1946 N ALA A 127 -7.913 -10.450 17.847 1.00 0.00 N ATOM 1947 CA ALA A 127 -8.889 -9.485 18.388 1.00 0.00 C ATOM 1948 C ALA A 127 -9.210 -9.776 19.864 1.00 0.00 C ATOM 1949 O ALA A 127 -8.960 -10.883 20.353 1.00 0.00 O ATOM 1950 CB ALA A 127 -10.170 -9.506 17.542 1.00 0.00 C ATOM 0 H ALA A 127 -8.342 -11.253 17.386 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.446 -8.490 18.340 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -10.886 -8.791 17.948 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.931 -9.236 16.513 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.604 -10.506 17.564 1.00 0.00 H new ATOM 1956 N MET A 128 -9.768 -8.766 20.565 1.00 0.00 N ATOM 1957 CA MET A 128 -10.319 -8.929 21.932 1.00 0.00 C ATOM 1958 C MET A 128 -11.600 -9.801 21.908 1.00 0.00 C ATOM 1959 O MET A 128 -12.052 -10.292 22.947 1.00 0.00 O ATOM 1960 CB MET A 128 -10.599 -7.540 22.584 1.00 0.00 C ATOM 1961 CG MET A 128 -9.348 -6.787 23.083 1.00 0.00 C ATOM 1962 SD MET A 128 -8.077 -6.592 21.816 1.00 0.00 S ATOM 1963 CE MET A 128 -6.856 -5.580 22.650 1.00 0.00 C ATOM 0 H MET A 128 -9.850 -7.816 20.202 1.00 0.00 H new ATOM 0 HA MET A 128 -9.575 -9.442 22.541 1.00 0.00 H new ATOM 0 HB2 MET A 128 -11.116 -6.913 21.858 1.00 0.00 H new ATOM 0 HB3 MET A 128 -11.279 -7.681 23.425 1.00 0.00 H new ATOM 0 HG2 MET A 128 -9.645 -5.802 23.444 1.00 0.00 H new ATOM 0 HG3 MET A 128 -8.925 -7.323 23.932 1.00 0.00 H new ATOM 0 HE1 MET A 128 -6.092 -5.270 21.937 1.00 0.00 H new ATOM 0 HE2 MET A 128 -7.340 -4.698 23.070 1.00 0.00 H new ATOM 0 HE3 MET A 128 -6.392 -6.156 23.451 1.00 0.00 H new ATOM 1973 N ASN A 129 -12.185 -9.961 20.709 1.00 0.00 N ATOM 1974 CA ASN A 129 -13.275 -10.926 20.446 1.00 0.00 C ATOM 1975 C ASN A 129 -12.718 -12.366 20.369 1.00 0.00 C ATOM 1976 O ASN A 129 -13.420 -13.342 20.668 1.00 0.00 O ATOM 1977 CB ASN A 129 -13.973 -10.541 19.115 1.00 0.00 C ATOM 1978 CG ASN A 129 -15.150 -11.448 18.723 1.00 0.00 C ATOM 1979 OD1 ASN A 129 -16.288 -11.227 19.143 1.00 0.00 O ATOM 1980 ND2 ASN A 129 -14.891 -12.459 17.902 1.00 0.00 N ATOM 0 H ASN A 129 -11.915 -9.422 19.886 1.00 0.00 H new ATOM 0 HA ASN A 129 -13.998 -10.891 21.261 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -14.332 -9.515 19.192 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -13.234 -10.560 18.314 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -15.644 -13.078 17.602 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -13.939 -12.616 17.571 1.00 0.00 H new ATOM 1987 N LEU A 130 -11.440 -12.476 19.970 1.00 0.00 N ATOM 1988 CA LEU A 130 -10.771 -13.764 19.700 1.00 0.00 C ATOM 1989 C LEU A 130 -9.823 -14.180 20.849 1.00 0.00 C ATOM 1990 O LEU A 130 -9.344 -15.317 20.864 1.00 0.00 O ATOM 1991 CB LEU A 130 -9.992 -13.656 18.354 1.00 0.00 C ATOM 1992 CG LEU A 130 -9.312 -14.959 17.820 1.00 0.00 C ATOM 1993 CD1 LEU A 130 -10.331 -16.104 17.641 1.00 0.00 C ATOM 1994 CD2 LEU A 130 -8.547 -14.684 16.513 1.00 0.00 C ATOM 0 H LEU A 130 -10.835 -11.668 19.824 1.00 0.00 H new ATOM 0 HA LEU A 130 -11.532 -14.541 19.628 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -10.683 -13.297 17.591 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -9.221 -12.894 18.469 1.00 0.00 H new ATOM 0 HG LEU A 130 -8.592 -15.284 18.571 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -9.819 -16.991 17.269 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.797 -16.330 18.600 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -11.097 -15.801 16.928 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.083 -15.606 16.162 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -9.240 -14.316 15.756 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -7.775 -13.935 16.694 1.00 0.00 H new ATOM 2006 N GLN A 131 -9.575 -13.280 21.821 1.00 0.00 N ATOM 2007 CA GLN A 131 -8.583 -13.533 22.896 1.00 0.00 C ATOM 2008 C GLN A 131 -8.957 -14.767 23.753 1.00 0.00 C ATOM 2009 O GLN A 131 -10.129 -14.971 24.089 1.00 0.00 O ATOM 2010 CB GLN A 131 -8.384 -12.281 23.781 1.00 0.00 C ATOM 2011 CG GLN A 131 -9.612 -11.825 24.587 1.00 0.00 C ATOM 2012 CD GLN A 131 -9.290 -10.707 25.582 1.00 0.00 C ATOM 2013 OE1 GLN A 131 -9.363 -9.524 25.254 1.00 0.00 O ATOM 2014 NE2 GLN A 131 -8.920 -11.073 26.806 1.00 0.00 N ATOM 0 H GLN A 131 -10.042 -12.376 21.888 1.00 0.00 H new ATOM 0 HA GLN A 131 -7.634 -13.756 22.408 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -7.569 -12.478 24.478 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -8.065 -11.456 23.143 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -10.384 -11.481 23.899 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -10.023 -12.678 25.127 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -8.869 -12.062 27.049 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.688 -10.364 27.502 1.00 0.00 H new ATOM 2023 N GLY A 132 -7.948 -15.614 24.043 1.00 0.00 N ATOM 2024 CA GLY A 132 -8.147 -16.866 24.790 1.00 0.00 C ATOM 2025 C GLY A 132 -8.464 -18.060 23.884 1.00 0.00 C ATOM 2026 O GLY A 132 -8.121 -19.203 24.207 1.00 0.00 O ATOM 0 H GLY A 132 -6.980 -15.448 23.767 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -7.249 -17.084 25.368 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -8.961 -16.732 25.503 1.00 0.00 H new ATOM 2030 N ARG A 133 -9.111 -17.779 22.736 1.00 0.00 N ATOM 2031 CA ARG A 133 -9.583 -18.795 21.772 1.00 0.00 C ATOM 2032 C ARG A 133 -8.430 -19.327 20.895 1.00 0.00 C ATOM 2033 O ARG A 133 -8.565 -20.379 20.260 1.00 0.00 O ATOM 2034 CB ARG A 133 -10.697 -18.161 20.898 1.00 0.00 C ATOM 2035 CG ARG A 133 -11.913 -17.640 21.710 1.00 0.00 C ATOM 2036 CD ARG A 133 -12.853 -16.740 20.885 1.00 0.00 C ATOM 2037 NE ARG A 133 -13.317 -17.382 19.641 1.00 0.00 N ATOM 2038 CZ ARG A 133 -13.983 -16.759 18.647 1.00 0.00 C ATOM 2039 NH1 ARG A 133 -14.300 -15.468 18.729 1.00 0.00 N ATOM 2040 NH2 ARG A 133 -14.327 -17.442 17.569 1.00 0.00 N ATOM 0 H ARG A 133 -9.324 -16.824 22.447 1.00 0.00 H new ATOM 0 HA ARG A 133 -9.980 -19.651 22.318 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -10.272 -17.335 20.328 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -11.044 -18.901 20.176 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -12.478 -18.490 22.092 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -11.552 -17.082 22.574 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -13.717 -16.471 21.493 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.336 -15.813 20.638 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.119 -18.376 19.523 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -14.039 -14.930 19.555 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -14.804 -15.017 17.965 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -14.089 -18.431 17.494 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -14.831 -16.980 16.812 1.00 0.00 H new ATOM 2054 N HIS A 134 -7.299 -18.592 20.867 1.00 0.00 N ATOM 2055 CA HIS A 134 -6.071 -19.019 20.156 1.00 0.00 C ATOM 2056 C HIS A 134 -5.229 -19.925 21.060 1.00 0.00 C ATOM 2057 O HIS A 134 -4.907 -19.549 22.192 1.00 0.00 O ATOM 2058 CB HIS A 134 -5.213 -17.817 19.600 1.00 0.00 C ATOM 2059 CG HIS A 134 -5.243 -16.521 20.387 1.00 0.00 C ATOM 2060 ND1 HIS A 134 -4.111 -15.923 20.930 1.00 0.00 N ATOM 2061 CD2 HIS A 134 -6.292 -15.679 20.572 1.00 0.00 C ATOM 2062 CE1 HIS A 134 -4.519 -14.760 21.395 1.00 0.00 C ATOM 2063 NE2 HIS A 134 -5.823 -14.568 21.203 1.00 0.00 N ATOM 0 H HIS A 134 -7.209 -17.689 21.334 1.00 0.00 H new ATOM 0 HA HIS A 134 -6.394 -19.579 19.279 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -4.176 -18.146 19.530 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -5.548 -17.604 18.585 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -7.314 -15.858 20.273 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -3.870 -14.044 21.877 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -6.365 -13.748 21.476 1.00 0.00 H new ATOM 2071 N LYS A 135 -4.902 -21.126 20.542 1.00 0.00 N ATOM 2072 CA LYS A 135 -4.045 -22.101 21.221 1.00 0.00 C ATOM 2073 C LYS A 135 -2.594 -21.582 21.233 1.00 0.00 C ATOM 2074 O LYS A 135 -1.908 -21.581 20.206 1.00 0.00 O ATOM 2075 CB LYS A 135 -4.145 -23.480 20.512 1.00 0.00 C ATOM 2076 CG LYS A 135 -3.260 -24.593 21.125 1.00 0.00 C ATOM 2077 CD LYS A 135 -3.338 -25.928 20.344 1.00 0.00 C ATOM 2078 CE LYS A 135 -2.888 -25.792 18.875 1.00 0.00 C ATOM 2079 NZ LYS A 135 -1.499 -25.261 18.745 1.00 0.00 N ATOM 0 H LYS A 135 -5.232 -21.443 19.631 1.00 0.00 H new ATOM 0 HA LYS A 135 -4.375 -22.231 22.252 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -5.184 -23.809 20.533 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.872 -23.354 19.464 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.225 -24.253 21.150 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -3.565 -24.764 22.157 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -2.715 -26.671 20.842 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -4.362 -26.300 20.372 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -2.947 -26.766 18.389 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -3.576 -25.131 18.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -0.983 -25.810 18.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -1.535 -24.263 18.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -1.010 -25.340 19.660 1.00 0.00 H new ATOM 2093 N CYS A 136 -2.154 -21.117 22.403 1.00 0.00 N ATOM 2094 CA CYS A 136 -0.841 -20.475 22.584 1.00 0.00 C ATOM 2095 C CYS A 136 0.219 -21.500 23.055 1.00 0.00 C ATOM 2096 O CYS A 136 1.196 -21.136 23.727 1.00 0.00 O ATOM 2097 CB CYS A 136 -1.011 -19.308 23.578 1.00 0.00 C ATOM 2098 SG CYS A 136 -2.430 -18.226 23.178 1.00 0.00 S ATOM 0 H CYS A 136 -2.700 -21.173 23.263 1.00 0.00 H new ATOM 0 HA CYS A 136 -0.477 -20.082 21.635 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -1.140 -19.710 24.583 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -0.099 -18.712 23.588 1.00 0.00 H new ATOM 2103 N ILE A 137 0.033 -22.780 22.652 1.00 0.00 N ATOM 2104 CA ILE A 137 1.011 -23.873 22.856 1.00 0.00 C ATOM 2105 C ILE A 137 1.149 -24.684 21.530 1.00 0.00 C ATOM 2106 O ILE A 137 0.188 -25.378 21.125 1.00 0.00 O ATOM 2107 CB ILE A 137 0.650 -24.820 24.088 1.00 0.00 C ATOM 2108 CG1 ILE A 137 -0.874 -25.199 24.105 1.00 0.00 C ATOM 2109 CG2 ILE A 137 1.085 -24.182 25.435 1.00 0.00 C ATOM 2110 CD1 ILE A 137 -1.296 -26.160 25.208 1.00 0.00 C ATOM 2111 OXT ILE A 137 2.205 -24.587 20.871 1.00 0.00 O ATOM 0 H ILE A 137 -0.812 -23.085 22.170 1.00 0.00 H new ATOM 0 HA ILE A 137 1.969 -23.423 23.114 1.00 0.00 H new ATOM 0 HB ILE A 137 1.212 -25.745 23.959 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -1.458 -24.283 24.201 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -1.132 -25.641 23.143 1.00 0.00 H new ATOM 0 HG21 ILE A 137 0.825 -24.851 26.255 1.00 0.00 H new ATOM 0 HG22 ILE A 137 2.162 -24.017 25.428 1.00 0.00 H new ATOM 0 HG23 ILE A 137 0.573 -23.229 25.568 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -2.365 -26.356 25.130 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.747 -27.096 25.105 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -1.078 -25.717 26.180 1.00 0.00 H new TER 2123 ILE A 137 HETATM 2124 ZN ZN A 138 4.717 -6.147 -13.541 1.00 0.00 ZN HETATM 2125 ZN ZN A 139 -7.654 -2.579 -6.717 1.00 0.00 ZN HETATM 2126 ZN ZN A 140 -0.312 15.548 -8.467 1.00 0.00 ZN HETATM 2127 ZN ZN A 141 3.485 -1.725 7.053 1.00 0.00 ZN HETATM 2128 ZN ZN A 142 1.184 -8.610 15.507 1.00 0.00 ZN HETATM 2129 ZN ZN A 143 -2.218 -16.766 21.335 1.00 0.00 ZN