USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 0.0327 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.764 K(o=-0.76,f=-3) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0231 (180deg=-0.209) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 CYS SG : rot -116:sc= 0.932 USER MOD Single : A 48 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.06) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -131:sc= -1.57 (180deg=-4.04!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.655 -15.294 -0.861 1.00 0.00 N ATOM 2 CA GLY A 1 9.707 -14.870 0.153 1.00 0.00 C ATOM 3 C GLY A 1 10.039 -15.424 1.525 1.00 0.00 C ATOM 4 O GLY A 1 10.334 -16.610 1.668 1.00 0.00 O ATOM 0 H1 GLY A 1 10.384 -14.889 -1.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.608 -14.965 -0.605 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.653 -16.332 -0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.691 -13.781 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.706 -15.192 -0.133 1.00 0.00 H new ATOM 8 N SER A 2 9.993 -14.562 2.535 1.00 0.00 N ATOM 9 CA SER A 2 10.297 -14.970 3.902 1.00 0.00 C ATOM 10 C SER A 2 9.121 -14.679 4.830 1.00 0.00 C ATOM 11 O SER A 2 8.347 -13.751 4.596 1.00 0.00 O ATOM 12 CB SER A 2 11.549 -14.248 4.406 1.00 0.00 C ATOM 13 OG SER A 2 12.727 -14.915 3.984 1.00 0.00 O ATOM 0 H SER A 2 9.748 -13.577 2.433 1.00 0.00 H new ATOM 0 HA SER A 2 10.481 -16.044 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.555 -13.223 4.036 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.528 -14.194 5.494 1.00 0.00 H new ATOM 0 HG SER A 2 13.513 -14.433 4.317 1.00 0.00 H new ATOM 19 N SER A 3 8.995 -15.480 5.883 1.00 0.00 N ATOM 20 CA SER A 3 7.912 -15.312 6.846 1.00 0.00 C ATOM 21 C SER A 3 8.430 -14.706 8.147 1.00 0.00 C ATOM 22 O SER A 3 9.332 -15.251 8.782 1.00 0.00 O ATOM 23 CB SER A 3 7.241 -16.657 7.128 1.00 0.00 C ATOM 24 OG SER A 3 6.464 -17.081 6.021 1.00 0.00 O ATOM 0 H SER A 3 9.629 -16.251 6.091 1.00 0.00 H new ATOM 0 HA SER A 3 7.178 -14.630 6.416 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.001 -17.406 7.352 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.607 -16.573 8.011 1.00 0.00 H new ATOM 0 HG SER A 3 6.047 -17.944 6.225 1.00 0.00 H new ATOM 30 N GLY A 4 7.851 -13.575 8.538 1.00 0.00 N ATOM 31 CA GLY A 4 8.268 -12.913 9.761 1.00 0.00 C ATOM 32 C GLY A 4 7.423 -11.694 10.075 1.00 0.00 C ATOM 33 O GLY A 4 6.923 -11.548 11.192 1.00 0.00 O ATOM 0 H GLY A 4 7.101 -13.105 8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.208 -13.617 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.313 -12.615 9.671 1.00 0.00 H new ATOM 37 N SER A 5 7.264 -10.815 9.091 1.00 0.00 N ATOM 38 CA SER A 5 6.478 -9.601 9.272 1.00 0.00 C ATOM 39 C SER A 5 5.326 -9.545 8.272 1.00 0.00 C ATOM 40 O SER A 5 5.405 -10.116 7.185 1.00 0.00 O ATOM 41 CB SER A 5 7.367 -8.365 9.111 1.00 0.00 C ATOM 42 OG SER A 5 7.928 -7.975 10.353 1.00 0.00 O ATOM 0 H SER A 5 7.669 -10.921 8.161 1.00 0.00 H new ATOM 0 HA SER A 5 6.062 -9.614 10.279 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.164 -8.577 8.399 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.782 -7.543 8.699 1.00 0.00 H new ATOM 0 HG SER A 5 8.493 -7.185 10.223 1.00 0.00 H new ATOM 48 N SER A 6 4.256 -8.853 8.650 1.00 0.00 N ATOM 49 CA SER A 6 3.085 -8.726 7.790 1.00 0.00 C ATOM 50 C SER A 6 3.320 -7.679 6.705 1.00 0.00 C ATOM 51 O SER A 6 3.825 -6.590 6.975 1.00 0.00 O ATOM 52 CB SER A 6 1.856 -8.351 8.619 1.00 0.00 C ATOM 53 OG SER A 6 1.284 -9.494 9.230 1.00 0.00 O ATOM 0 H SER A 6 4.176 -8.372 9.546 1.00 0.00 H new ATOM 0 HA SER A 6 2.910 -9.689 7.310 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.137 -7.628 9.385 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.116 -7.868 7.980 1.00 0.00 H new ATOM 0 HG SER A 6 0.501 -9.227 9.755 1.00 0.00 H new ATOM 59 N GLY A 7 2.949 -8.019 5.474 1.00 0.00 N ATOM 60 CA GLY A 7 3.127 -7.099 4.365 1.00 0.00 C ATOM 61 C GLY A 7 1.836 -6.836 3.616 1.00 0.00 C ATOM 62 O GLY A 7 1.149 -7.772 3.203 1.00 0.00 O ATOM 0 H GLY A 7 2.529 -8.914 5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.524 -6.156 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.867 -7.505 3.675 1.00 0.00 H new ATOM 66 N ARG A 8 1.503 -5.562 3.442 1.00 0.00 N ATOM 67 CA ARG A 8 0.283 -5.181 2.740 1.00 0.00 C ATOM 68 C ARG A 8 0.604 -4.331 1.514 1.00 0.00 C ATOM 69 O ARG A 8 1.745 -3.910 1.320 1.00 0.00 O ATOM 70 CB ARG A 8 -0.650 -4.410 3.678 1.00 0.00 C ATOM 71 CG ARG A 8 -1.587 -5.303 4.473 1.00 0.00 C ATOM 72 CD ARG A 8 -2.556 -4.485 5.314 1.00 0.00 C ATOM 73 NE ARG A 8 -3.824 -5.180 5.517 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.889 -4.617 6.077 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.837 -3.356 6.487 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.008 -5.313 6.227 1.00 0.00 N ATOM 0 H ARG A 8 2.060 -4.776 3.777 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.216 -6.092 2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.049 -3.820 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.242 -3.707 3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.146 -5.944 3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.005 -5.958 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.103 -4.268 6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.741 -3.528 4.826 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.896 -6.151 5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.978 -2.817 6.372 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.656 -2.925 6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.052 -6.282 5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.825 -4.879 6.657 1.00 0.00 H new ATOM 90 N ARG A 9 -0.409 -4.084 0.691 1.00 0.00 N ATOM 91 CA ARG A 9 -0.234 -3.287 -0.519 1.00 0.00 C ATOM 92 C ARG A 9 -1.510 -2.520 -0.853 1.00 0.00 C ATOM 93 O ARG A 9 -2.606 -3.080 -0.831 1.00 0.00 O ATOM 94 CB ARG A 9 0.158 -4.184 -1.695 1.00 0.00 C ATOM 95 CG ARG A 9 1.517 -4.846 -1.528 1.00 0.00 C ATOM 96 CD ARG A 9 1.958 -5.539 -2.808 1.00 0.00 C ATOM 97 NE ARG A 9 2.932 -6.598 -2.549 1.00 0.00 N ATOM 98 CZ ARG A 9 3.704 -7.130 -3.489 1.00 0.00 C ATOM 99 NH1 ARG A 9 3.618 -6.707 -4.741 1.00 0.00 N ATOM 100 NH2 ARG A 9 4.566 -8.089 -3.175 1.00 0.00 N ATOM 0 H ARG A 9 -1.359 -4.424 0.839 1.00 0.00 H new ATOM 0 HA ARG A 9 0.565 -2.568 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.600 -4.957 -1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.162 -3.590 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.256 -4.097 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.472 -5.572 -0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.088 -5.962 -3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.392 -4.805 -3.487 1.00 0.00 H new ATOM 0 HE ARG A 9 3.023 -6.947 -1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.957 -5.970 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.213 -7.118 -5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.635 -8.417 -2.212 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.159 -8.498 -3.897 1.00 0.00 H new ATOM 114 N ALA A 10 -1.359 -1.237 -1.164 1.00 0.00 N ATOM 115 CA ALA A 10 -2.497 -0.394 -1.505 1.00 0.00 C ATOM 116 C ALA A 10 -2.411 0.088 -2.948 1.00 0.00 C ATOM 117 O ALA A 10 -1.359 0.003 -3.581 1.00 0.00 O ATOM 118 CB ALA A 10 -2.579 0.792 -0.554 1.00 0.00 C ATOM 0 H ALA A 10 -0.458 -0.759 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.403 -0.991 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.434 1.414 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.697 0.431 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.665 1.381 -0.628 1.00 0.00 H new ATOM 124 N LYS A 11 -3.526 0.593 -3.466 1.00 0.00 N ATOM 125 CA LYS A 11 -3.578 1.088 -4.838 1.00 0.00 C ATOM 126 C LYS A 11 -3.886 2.582 -4.864 1.00 0.00 C ATOM 127 O LYS A 11 -4.775 3.053 -4.156 1.00 0.00 O ATOM 128 CB LYS A 11 -4.634 0.324 -5.638 1.00 0.00 C ATOM 129 CG LYS A 11 -4.616 0.641 -7.124 1.00 0.00 C ATOM 130 CD LYS A 11 -5.928 0.263 -7.790 1.00 0.00 C ATOM 131 CE LYS A 11 -6.935 1.403 -7.725 1.00 0.00 C ATOM 132 NZ LYS A 11 -6.729 2.385 -8.824 1.00 0.00 N ATOM 0 H LYS A 11 -4.406 0.670 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.601 0.928 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.478 -0.746 -5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.621 0.556 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.427 1.705 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.796 0.104 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.745 -0.004 -8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.344 -0.619 -7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.946 0.999 -7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.849 1.910 -6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.633 2.845 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.041 3.105 -8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.368 1.893 -9.666 1.00 0.00 H new ATOM 146 N ALA A 12 -3.146 3.320 -5.684 1.00 0.00 N ATOM 147 CA ALA A 12 -3.343 4.760 -5.805 1.00 0.00 C ATOM 148 C ALA A 12 -4.521 5.076 -6.722 1.00 0.00 C ATOM 149 O ALA A 12 -4.520 4.717 -7.899 1.00 0.00 O ATOM 150 CB ALA A 12 -2.076 5.425 -6.322 1.00 0.00 C ATOM 0 H ALA A 12 -2.404 2.945 -6.275 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.569 5.156 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.238 6.500 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.257 5.235 -5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.825 5.017 -7.301 1.00 0.00 H new ATOM 156 N LEU A 13 -5.525 5.752 -6.173 1.00 0.00 N ATOM 157 CA LEU A 13 -6.710 6.118 -6.941 1.00 0.00 C ATOM 158 C LEU A 13 -6.454 7.368 -7.777 1.00 0.00 C ATOM 159 O LEU A 13 -7.264 7.737 -8.628 1.00 0.00 O ATOM 160 CB LEU A 13 -7.897 6.352 -6.005 1.00 0.00 C ATOM 161 CG LEU A 13 -8.087 5.321 -4.893 1.00 0.00 C ATOM 162 CD1 LEU A 13 -8.863 5.923 -3.732 1.00 0.00 C ATOM 163 CD2 LEU A 13 -8.795 4.084 -5.426 1.00 0.00 C ATOM 0 H LEU A 13 -5.542 6.057 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.943 5.294 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.785 7.335 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.807 6.382 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.103 5.023 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.988 5.174 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.316 6.777 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.842 6.251 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.921 3.361 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.773 4.365 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.199 3.639 -6.223 1.00 0.00 H new ATOM 175 N LEU A 14 -5.320 8.016 -7.530 1.00 0.00 N ATOM 176 CA LEU A 14 -4.954 9.224 -8.262 1.00 0.00 C ATOM 177 C LEU A 14 -3.464 9.518 -8.116 1.00 0.00 C ATOM 178 O LEU A 14 -2.738 8.781 -7.451 1.00 0.00 O ATOM 179 CB LEU A 14 -5.772 10.414 -7.758 1.00 0.00 C ATOM 180 CG LEU A 14 -5.570 10.797 -6.292 1.00 0.00 C ATOM 181 CD1 LEU A 14 -5.799 12.288 -6.093 1.00 0.00 C ATOM 182 CD2 LEU A 14 -6.497 9.988 -5.396 1.00 0.00 C ATOM 0 H LEU A 14 -4.639 7.725 -6.829 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.171 9.061 -9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.533 11.280 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.828 10.194 -7.913 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.541 10.569 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.651 12.542 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.093 12.849 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.817 12.542 -6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.339 10.274 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.533 10.184 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.284 8.926 -5.516 1.00 0.00 H new ATOM 194 N ASP A 15 -3.017 10.601 -8.741 1.00 0.00 N ATOM 195 CA ASP A 15 -1.616 10.996 -8.679 1.00 0.00 C ATOM 196 C ASP A 15 -1.337 11.820 -7.427 1.00 0.00 C ATOM 197 O ASP A 15 -2.167 12.625 -7.003 1.00 0.00 O ATOM 198 CB ASP A 15 -1.232 11.796 -9.927 1.00 0.00 C ATOM 199 CG ASP A 15 -0.057 12.721 -9.682 1.00 0.00 C ATOM 200 OD1 ASP A 15 0.972 12.249 -9.156 1.00 0.00 O ATOM 201 OD2 ASP A 15 -0.166 13.919 -10.016 1.00 0.00 O ATOM 0 H ASP A 15 -3.606 11.221 -9.297 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.012 10.090 -8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.986 11.107 -10.735 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.089 12.382 -10.257 1.00 0.00 H new ATOM 206 N PHE A 16 -0.164 11.615 -6.836 1.00 0.00 N ATOM 207 CA PHE A 16 0.222 12.336 -5.630 1.00 0.00 C ATOM 208 C PHE A 16 1.677 12.792 -5.712 1.00 0.00 C ATOM 209 O PHE A 16 2.592 11.971 -5.763 1.00 0.00 O ATOM 210 CB PHE A 16 0.020 11.455 -4.396 1.00 0.00 C ATOM 211 CG PHE A 16 0.324 12.156 -3.103 1.00 0.00 C ATOM 212 CD1 PHE A 16 -0.563 13.080 -2.574 1.00 0.00 C ATOM 213 CD2 PHE A 16 1.498 11.893 -2.416 1.00 0.00 C ATOM 214 CE1 PHE A 16 -0.287 13.726 -1.384 1.00 0.00 C ATOM 215 CE2 PHE A 16 1.780 12.536 -1.225 1.00 0.00 C ATOM 216 CZ PHE A 16 0.887 13.454 -0.710 1.00 0.00 C ATOM 0 H PHE A 16 0.536 10.954 -7.174 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.413 13.218 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.011 11.103 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.656 10.574 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.482 13.298 -3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.201 11.177 -2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.988 14.442 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.698 12.320 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.106 13.959 0.219 1.00 0.00 H new ATOM 226 N GLU A 17 1.880 14.106 -5.723 1.00 0.00 N ATOM 227 CA GLU A 17 3.222 14.669 -5.800 1.00 0.00 C ATOM 228 C GLU A 17 3.783 14.931 -4.404 1.00 0.00 C ATOM 229 O GLU A 17 3.385 15.883 -3.733 1.00 0.00 O ATOM 230 CB GLU A 17 3.208 15.969 -6.608 1.00 0.00 C ATOM 231 CG GLU A 17 3.424 15.762 -8.097 1.00 0.00 C ATOM 232 CD GLU A 17 4.892 15.776 -8.481 1.00 0.00 C ATOM 233 OE1 GLU A 17 5.669 15.005 -7.879 1.00 0.00 O ATOM 234 OE2 GLU A 17 5.262 16.556 -9.382 1.00 0.00 O ATOM 0 H GLU A 17 1.133 14.799 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 17 3.864 13.945 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.253 16.472 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.983 16.633 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.983 14.811 -8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.901 16.543 -8.648 1.00 0.00 H new ATOM 241 N ARG A 18 4.709 14.078 -3.977 1.00 0.00 N ATOM 242 CA ARG A 18 5.324 14.216 -2.661 1.00 0.00 C ATOM 243 C ARG A 18 5.841 15.635 -2.448 1.00 0.00 C ATOM 244 O ARG A 18 6.830 16.045 -3.059 1.00 0.00 O ATOM 245 CB ARG A 18 6.469 13.215 -2.504 1.00 0.00 C ATOM 246 CG ARG A 18 7.729 13.608 -3.258 1.00 0.00 C ATOM 247 CD ARG A 18 8.558 12.389 -3.630 1.00 0.00 C ATOM 248 NE ARG A 18 9.809 12.757 -4.287 1.00 0.00 N ATOM 249 CZ ARG A 18 9.912 12.996 -5.591 1.00 0.00 C ATOM 250 NH1 ARG A 18 8.844 12.905 -6.371 1.00 0.00 N ATOM 251 NH2 ARG A 18 11.085 13.326 -6.114 1.00 0.00 N ATOM 0 H ARG A 18 5.049 13.286 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 18 4.563 14.009 -1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.707 13.111 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.136 12.238 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.458 14.155 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.326 14.282 -2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.777 11.812 -2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.978 11.744 -4.290 1.00 0.00 H new ATOM 0 HE ARG A 18 10.650 12.835 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.941 12.651 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.926 13.089 -7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.908 13.396 -5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.164 13.509 -7.114 1.00 0.00 H new ATOM 265 N HIS A 19 5.166 16.382 -1.581 1.00 0.00 N ATOM 266 CA HIS A 19 5.558 17.755 -1.286 1.00 0.00 C ATOM 267 C HIS A 19 6.976 17.808 -0.725 1.00 0.00 C ATOM 268 O HIS A 19 7.855 18.456 -1.294 1.00 0.00 O ATOM 269 CB HIS A 19 4.580 18.386 -0.294 1.00 0.00 C ATOM 270 CG HIS A 19 3.178 18.480 -0.812 1.00 0.00 C ATOM 271 ND1 HIS A 19 2.072 18.165 -0.051 1.00 0.00 N ATOM 272 CD2 HIS A 19 2.705 18.859 -2.022 1.00 0.00 C ATOM 273 CE1 HIS A 19 0.979 18.343 -0.771 1.00 0.00 C ATOM 274 NE2 HIS A 19 1.335 18.765 -1.971 1.00 0.00 N ATOM 0 H HIS A 19 4.344 16.059 -1.070 1.00 0.00 H new ATOM 0 HA HIS A 19 5.534 18.321 -2.217 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.580 17.801 0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.931 19.385 -0.036 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.294 19.176 -2.870 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.033 18.173 -0.436 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.697 18.985 -2.736 1.00 0.00 H new ATOM 283 N ASP A 20 7.191 17.124 0.393 1.00 0.00 N ATOM 284 CA ASP A 20 8.501 17.093 1.031 1.00 0.00 C ATOM 285 C ASP A 20 9.344 15.945 0.485 1.00 0.00 C ATOM 286 O ASP A 20 8.829 14.862 0.204 1.00 0.00 O ATOM 287 CB ASP A 20 8.352 16.955 2.546 1.00 0.00 C ATOM 288 CG ASP A 20 9.533 17.533 3.300 1.00 0.00 C ATOM 289 OD1 ASP A 20 10.002 18.627 2.921 1.00 0.00 O ATOM 290 OD2 ASP A 20 9.992 16.890 4.269 1.00 0.00 O ATOM 0 H ASP A 20 6.474 16.583 0.876 1.00 0.00 H new ATOM 0 HA ASP A 20 9.008 18.032 0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.439 17.458 2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.242 15.901 2.803 1.00 0.00 H new ATOM 295 N ASP A 21 10.640 16.188 0.334 1.00 0.00 N ATOM 296 CA ASP A 21 11.555 15.176 -0.179 1.00 0.00 C ATOM 297 C ASP A 21 11.298 13.826 0.486 1.00 0.00 C ATOM 298 O ASP A 21 11.481 12.774 -0.131 1.00 0.00 O ATOM 299 CB ASP A 21 13.005 15.603 0.052 1.00 0.00 C ATOM 300 CG ASP A 21 13.506 16.552 -1.020 1.00 0.00 C ATOM 301 OD1 ASP A 21 13.270 16.275 -2.215 1.00 0.00 O ATOM 302 OD2 ASP A 21 14.134 17.572 -0.663 1.00 0.00 O ATOM 0 H ASP A 21 11.082 17.079 0.560 1.00 0.00 H new ATOM 0 HA ASP A 21 11.381 15.074 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.088 16.084 1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.642 14.719 0.077 1.00 0.00 H new ATOM 307 N ASP A 22 10.876 13.862 1.743 1.00 0.00 N ATOM 308 CA ASP A 22 10.595 12.642 2.492 1.00 0.00 C ATOM 309 C ASP A 22 9.304 11.993 2.004 1.00 0.00 C ATOM 310 O ASP A 22 9.252 10.783 1.786 1.00 0.00 O ATOM 311 CB ASP A 22 10.494 12.947 3.987 1.00 0.00 C ATOM 312 CG ASP A 22 11.784 13.510 4.552 1.00 0.00 C ATOM 313 OD1 ASP A 22 12.107 14.677 4.244 1.00 0.00 O ATOM 314 OD2 ASP A 22 12.470 12.786 5.302 1.00 0.00 O ATOM 0 H ASP A 22 10.720 14.723 2.267 1.00 0.00 H new ATOM 0 HA ASP A 22 11.417 11.945 2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.686 13.659 4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.233 12.035 4.524 1.00 0.00 H new ATOM 319 N GLU A 23 8.265 12.803 1.837 1.00 0.00 N ATOM 320 CA GLU A 23 6.973 12.306 1.378 1.00 0.00 C ATOM 321 C GLU A 23 7.148 11.330 0.218 1.00 0.00 C ATOM 322 O GLU A 23 8.136 11.388 -0.516 1.00 0.00 O ATOM 323 CB GLU A 23 6.077 13.469 0.948 1.00 0.00 C ATOM 324 CG GLU A 23 5.287 14.084 2.092 1.00 0.00 C ATOM 325 CD GLU A 23 4.270 15.103 1.615 1.00 0.00 C ATOM 326 OE1 GLU A 23 3.837 15.008 0.448 1.00 0.00 O ATOM 327 OE2 GLU A 23 3.909 15.996 2.411 1.00 0.00 O ATOM 0 H GLU A 23 8.292 13.807 2.013 1.00 0.00 H new ATOM 0 HA GLU A 23 6.500 11.780 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.694 14.241 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.382 13.118 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.775 13.294 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.976 14.562 2.789 1.00 0.00 H new ATOM 334 N LEU A 24 6.183 10.431 0.058 1.00 0.00 N ATOM 335 CA LEU A 24 6.230 9.440 -1.011 1.00 0.00 C ATOM 336 C LEU A 24 5.216 9.768 -2.102 1.00 0.00 C ATOM 337 O LEU A 24 4.009 9.783 -1.858 1.00 0.00 O ATOM 338 CB LEU A 24 5.959 8.043 -0.451 1.00 0.00 C ATOM 339 CG LEU A 24 6.081 6.886 -1.443 1.00 0.00 C ATOM 340 CD1 LEU A 24 7.492 6.811 -2.004 1.00 0.00 C ATOM 341 CD2 LEU A 24 5.698 5.571 -0.779 1.00 0.00 C ATOM 0 H LEU A 24 5.358 10.368 0.655 1.00 0.00 H new ATOM 0 HA LEU A 24 7.228 9.462 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.650 7.863 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.953 8.031 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 24 5.393 7.067 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.560 5.982 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.730 7.743 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.199 6.654 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.791 4.759 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.361 5.384 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.668 5.628 -0.427 1.00 0.00 H new ATOM 353 N GLY A 25 5.714 10.029 -3.307 1.00 0.00 N ATOM 354 CA GLY A 25 4.837 10.353 -4.418 1.00 0.00 C ATOM 355 C GLY A 25 4.574 9.159 -5.315 1.00 0.00 C ATOM 356 O GLY A 25 5.482 8.381 -5.606 1.00 0.00 O ATOM 0 H GLY A 25 6.708 10.022 -3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.890 10.729 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.282 11.155 -5.007 1.00 0.00 H new ATOM 360 N PHE A 26 3.327 9.013 -5.751 1.00 0.00 N ATOM 361 CA PHE A 26 2.947 7.904 -6.618 1.00 0.00 C ATOM 362 C PHE A 26 2.089 8.392 -7.782 1.00 0.00 C ATOM 363 O PHE A 26 1.831 9.588 -7.918 1.00 0.00 O ATOM 364 CB PHE A 26 2.187 6.843 -5.821 1.00 0.00 C ATOM 365 CG PHE A 26 1.342 7.413 -4.716 1.00 0.00 C ATOM 366 CD1 PHE A 26 1.919 7.828 -3.528 1.00 0.00 C ATOM 367 CD2 PHE A 26 -0.030 7.536 -4.870 1.00 0.00 C ATOM 368 CE1 PHE A 26 1.144 8.352 -2.511 1.00 0.00 C ATOM 369 CE2 PHE A 26 -0.810 8.061 -3.857 1.00 0.00 C ATOM 370 CZ PHE A 26 -0.222 8.470 -2.677 1.00 0.00 C ATOM 0 H PHE A 26 2.563 9.648 -5.518 1.00 0.00 H new ATOM 0 HA PHE A 26 3.859 7.463 -7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.549 6.277 -6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.902 6.139 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.987 7.741 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.495 7.218 -5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.606 8.669 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.878 8.151 -3.988 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.829 8.882 -1.885 1.00 0.00 H new ATOM 380 N ARG A 27 1.652 7.458 -8.620 1.00 0.00 N ATOM 381 CA ARG A 27 0.826 7.792 -9.773 1.00 0.00 C ATOM 382 C ARG A 27 -0.492 7.022 -9.740 1.00 0.00 C ATOM 383 O ARG A 27 -0.649 6.073 -8.972 1.00 0.00 O ATOM 384 CB ARG A 27 1.575 7.486 -11.071 1.00 0.00 C ATOM 385 CG ARG A 27 2.694 8.468 -11.375 1.00 0.00 C ATOM 386 CD ARG A 27 2.176 9.696 -12.107 1.00 0.00 C ATOM 387 NE ARG A 27 3.259 10.489 -12.680 1.00 0.00 N ATOM 388 CZ ARG A 27 3.077 11.676 -13.252 1.00 0.00 C ATOM 389 NH1 ARG A 27 1.862 12.200 -13.327 1.00 0.00 N ATOM 390 NH2 ARG A 27 4.113 12.337 -13.751 1.00 0.00 N ATOM 0 H ARG A 27 1.857 6.464 -8.522 1.00 0.00 H new ATOM 0 HA ARG A 27 0.605 8.859 -9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.992 6.481 -11.012 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.866 7.489 -11.899 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.174 8.773 -10.445 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.456 7.977 -11.981 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.496 9.385 -12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.601 10.313 -11.417 1.00 0.00 H new ATOM 0 HE ARG A 27 4.206 10.113 -12.640 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.063 11.693 -12.946 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.725 13.110 -13.766 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.049 11.935 -13.696 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.974 13.247 -14.190 1.00 0.00 H new ATOM 404 N LYS A 28 -1.436 7.439 -10.578 1.00 0.00 N ATOM 405 CA LYS A 28 -2.739 6.789 -10.646 1.00 0.00 C ATOM 406 C LYS A 28 -2.598 5.330 -11.066 1.00 0.00 C ATOM 407 O LYS A 28 -1.852 5.010 -11.990 1.00 0.00 O ATOM 408 CB LYS A 28 -3.650 7.529 -11.628 1.00 0.00 C ATOM 409 CG LYS A 28 -5.070 6.993 -11.661 1.00 0.00 C ATOM 410 CD LYS A 28 -5.863 7.588 -12.813 1.00 0.00 C ATOM 411 CE LYS A 28 -7.240 6.951 -12.931 1.00 0.00 C ATOM 412 NZ LYS A 28 -8.183 7.806 -13.704 1.00 0.00 N ATOM 0 H LYS A 28 -1.322 8.224 -11.219 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.185 6.820 -9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.675 8.586 -11.362 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.222 7.463 -12.628 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.048 5.907 -11.755 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.568 7.221 -10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.970 8.663 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.315 7.447 -13.744 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.150 5.979 -13.416 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.644 6.773 -11.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.109 7.337 -13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.289 8.724 -13.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.810 7.955 -14.663 1.00 0.00 H new ATOM 426 N ASN A 29 -3.322 4.449 -10.382 1.00 0.00 N ATOM 427 CA ASN A 29 -3.278 3.024 -10.685 1.00 0.00 C ATOM 428 C ASN A 29 -1.884 2.456 -10.435 1.00 0.00 C ATOM 429 O ASN A 29 -1.366 1.677 -11.236 1.00 0.00 O ATOM 430 CB ASN A 29 -3.686 2.778 -12.139 1.00 0.00 C ATOM 431 CG ASN A 29 -5.077 3.300 -12.446 1.00 0.00 C ATOM 432 OD1 ASN A 29 -5.804 3.723 -11.547 1.00 0.00 O ATOM 433 ND2 ASN A 29 -5.452 3.272 -13.718 1.00 0.00 N ATOM 0 H ASN A 29 -3.946 4.698 -9.614 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.982 2.517 -10.025 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.966 3.259 -12.802 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.648 1.709 -12.348 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.377 3.610 -13.985 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.816 2.912 -14.429 1.00 0.00 H new ATOM 440 N ASP A 30 -1.281 2.853 -9.320 1.00 0.00 N ATOM 441 CA ASP A 30 0.051 2.384 -8.961 1.00 0.00 C ATOM 442 C ASP A 30 0.024 1.625 -7.638 1.00 0.00 C ATOM 443 O ASP A 30 -0.770 1.937 -6.749 1.00 0.00 O ATOM 444 CB ASP A 30 1.022 3.562 -8.867 1.00 0.00 C ATOM 445 CG ASP A 30 1.400 4.111 -10.229 1.00 0.00 C ATOM 446 OD1 ASP A 30 0.485 4.486 -10.992 1.00 0.00 O ATOM 447 OD2 ASP A 30 2.610 4.165 -10.532 1.00 0.00 O ATOM 0 H ASP A 30 -1.695 3.500 -8.648 1.00 0.00 H new ATOM 0 HA ASP A 30 0.391 1.704 -9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.570 4.355 -8.272 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.924 3.245 -8.343 1.00 0.00 H new ATOM 452 N ILE A 31 0.893 0.627 -7.514 1.00 0.00 N ATOM 453 CA ILE A 31 0.968 -0.176 -6.300 1.00 0.00 C ATOM 454 C ILE A 31 2.087 0.311 -5.388 1.00 0.00 C ATOM 455 O ILE A 31 3.221 0.505 -5.828 1.00 0.00 O ATOM 456 CB ILE A 31 1.193 -1.664 -6.623 1.00 0.00 C ATOM 457 CG1 ILE A 31 0.146 -2.158 -7.623 1.00 0.00 C ATOM 458 CG2 ILE A 31 1.149 -2.494 -5.349 1.00 0.00 C ATOM 459 CD1 ILE A 31 -1.265 -2.139 -7.079 1.00 0.00 C ATOM 0 H ILE A 31 1.555 0.355 -8.240 1.00 0.00 H new ATOM 0 HA ILE A 31 0.012 -0.065 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 31 2.179 -1.777 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.190 -1.538 -8.519 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.396 -3.175 -7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.310 -3.544 -5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.930 -2.156 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.176 -2.377 -4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.954 -2.502 -7.842 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.325 -2.782 -6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.534 -1.120 -6.802 1.00 0.00 H new ATOM 471 N ILE A 32 1.762 0.506 -4.114 1.00 0.00 N ATOM 472 CA ILE A 32 2.742 0.968 -3.139 1.00 0.00 C ATOM 473 C ILE A 32 2.790 0.041 -1.928 1.00 0.00 C ATOM 474 O ILE A 32 1.767 -0.234 -1.300 1.00 0.00 O ATOM 475 CB ILE A 32 2.431 2.399 -2.662 1.00 0.00 C ATOM 476 CG1 ILE A 32 2.370 3.355 -3.856 1.00 0.00 C ATOM 477 CG2 ILE A 32 3.476 2.862 -1.660 1.00 0.00 C ATOM 478 CD1 ILE A 32 1.487 4.559 -3.622 1.00 0.00 C ATOM 0 H ILE A 32 0.828 0.351 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 32 3.711 0.963 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 32 1.459 2.399 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.379 3.695 -4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.006 2.812 -4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.242 3.875 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.476 2.193 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.460 2.850 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.492 5.192 -4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.469 4.229 -3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.863 5.126 -2.770 1.00 0.00 H new ATOM 490 N THR A 33 3.987 -0.438 -1.604 1.00 0.00 N ATOM 491 CA THR A 33 4.171 -1.333 -0.468 1.00 0.00 C ATOM 492 C THR A 33 3.971 -0.595 0.851 1.00 0.00 C ATOM 493 O THR A 33 4.417 0.541 1.011 1.00 0.00 O ATOM 494 CB THR A 33 5.571 -1.974 -0.478 1.00 0.00 C ATOM 495 OG1 THR A 33 5.756 -2.729 -1.680 1.00 0.00 O ATOM 496 CG2 THR A 33 5.761 -2.878 0.730 1.00 0.00 C ATOM 0 H THR A 33 4.844 -0.221 -2.113 1.00 0.00 H new ATOM 0 HA THR A 33 3.420 -2.118 -0.559 1.00 0.00 H new ATOM 0 HB THR A 33 6.312 -1.176 -0.434 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.649 -3.132 -1.679 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.757 -3.319 0.701 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.650 -2.293 1.643 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.013 -3.670 0.713 1.00 0.00 H new ATOM 504 N ILE A 34 3.299 -1.248 1.794 1.00 0.00 N ATOM 505 CA ILE A 34 3.042 -0.655 3.099 1.00 0.00 C ATOM 506 C ILE A 34 4.001 -1.202 4.150 1.00 0.00 C ATOM 507 O ILE A 34 3.922 -2.371 4.531 1.00 0.00 O ATOM 508 CB ILE A 34 1.595 -0.911 3.559 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.605 -0.341 2.541 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.361 -0.301 4.933 1.00 0.00 C ATOM 511 CD1 ILE A 34 -0.824 -0.318 3.035 1.00 0.00 C ATOM 0 H ILE A 34 2.923 -2.189 1.677 1.00 0.00 H new ATOM 0 HA ILE A 34 3.196 0.419 2.993 1.00 0.00 H new ATOM 0 HB ILE A 34 1.436 -1.987 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.907 0.673 2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.655 -0.933 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.334 -0.490 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.047 -0.749 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.534 0.774 4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.470 0.098 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.145 -1.333 3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.889 0.298 3.932 1.00 0.00 H new ATOM 523 N ILE A 35 4.909 -0.350 4.617 1.00 0.00 N ATOM 524 CA ILE A 35 5.882 -0.747 5.625 1.00 0.00 C ATOM 525 C ILE A 35 5.327 -0.554 7.032 1.00 0.00 C ATOM 526 O ILE A 35 5.136 -1.518 7.773 1.00 0.00 O ATOM 527 CB ILE A 35 7.192 0.051 5.490 1.00 0.00 C ATOM 528 CG1 ILE A 35 7.734 -0.056 4.062 1.00 0.00 C ATOM 529 CG2 ILE A 35 8.223 -0.447 6.492 1.00 0.00 C ATOM 530 CD1 ILE A 35 8.394 -1.384 3.763 1.00 0.00 C ATOM 0 H ILE A 35 4.990 0.620 4.312 1.00 0.00 H new ATOM 0 HA ILE A 35 6.091 -1.804 5.460 1.00 0.00 H new ATOM 0 HB ILE A 35 6.985 1.100 5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.916 0.100 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.455 0.744 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.143 0.127 6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.836 -0.324 7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.430 -1.501 6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.754 -1.388 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.234 -1.534 4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.671 -2.188 3.897 1.00 0.00 H new ATOM 542 N SER A 36 5.066 0.699 7.393 1.00 0.00 N ATOM 543 CA SER A 36 4.532 1.020 8.711 1.00 0.00 C ATOM 544 C SER A 36 3.273 1.873 8.595 1.00 0.00 C ATOM 545 O SER A 36 2.903 2.305 7.504 1.00 0.00 O ATOM 546 CB SER A 36 5.585 1.752 9.545 1.00 0.00 C ATOM 547 OG SER A 36 5.399 1.508 10.930 1.00 0.00 O ATOM 0 H SER A 36 5.216 1.508 6.791 1.00 0.00 H new ATOM 0 HA SER A 36 4.270 0.086 9.208 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.581 1.426 9.246 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.528 2.823 9.350 1.00 0.00 H new ATOM 0 HG SER A 36 6.085 1.985 11.441 1.00 0.00 H new ATOM 553 N GLN A 37 2.622 2.113 9.728 1.00 0.00 N ATOM 554 CA GLN A 37 1.404 2.914 9.753 1.00 0.00 C ATOM 555 C GLN A 37 1.464 3.962 10.861 1.00 0.00 C ATOM 556 O GLN A 37 0.885 3.784 11.931 1.00 0.00 O ATOM 557 CB GLN A 37 0.182 2.017 9.951 1.00 0.00 C ATOM 558 CG GLN A 37 -0.036 1.026 8.820 1.00 0.00 C ATOM 559 CD GLN A 37 -1.444 0.467 8.795 1.00 0.00 C ATOM 560 OE1 GLN A 37 -1.906 -0.125 9.770 1.00 0.00 O ATOM 561 NE2 GLN A 37 -2.136 0.653 7.677 1.00 0.00 N ATOM 0 H GLN A 37 2.917 1.765 10.640 1.00 0.00 H new ATOM 0 HA GLN A 37 1.318 3.427 8.795 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.292 1.469 10.887 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.705 2.643 10.050 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.173 1.515 7.869 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.675 0.205 8.920 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.714 1.150 6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.090 0.299 7.603 1.00 0.00 H new ATOM 570 N LYS A 38 2.172 5.055 10.596 1.00 0.00 N ATOM 571 CA LYS A 38 2.310 6.133 11.569 1.00 0.00 C ATOM 572 C LYS A 38 0.965 6.462 12.209 1.00 0.00 C ATOM 573 O LYS A 38 0.768 6.251 13.405 1.00 0.00 O ATOM 574 CB LYS A 38 2.887 7.382 10.899 1.00 0.00 C ATOM 575 CG LYS A 38 4.389 7.317 10.684 1.00 0.00 C ATOM 576 CD LYS A 38 4.970 8.689 10.383 1.00 0.00 C ATOM 577 CE LYS A 38 5.267 9.460 11.660 1.00 0.00 C ATOM 578 NZ LYS A 38 6.437 8.898 12.389 1.00 0.00 N ATOM 0 H LYS A 38 2.659 5.218 9.715 1.00 0.00 H new ATOM 0 HA LYS A 38 2.993 5.799 12.350 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.396 7.527 9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.653 8.253 11.511 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.867 6.906 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.610 6.639 9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.886 8.578 9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.270 9.255 9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.459 10.505 11.417 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.391 9.439 12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.796 9.602 13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.147 8.041 12.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.187 8.657 11.709 1.00 0.00 H new ATOM 592 N ASP A 39 0.042 6.979 11.405 1.00 0.00 N ATOM 593 CA ASP A 39 -1.285 7.336 11.891 1.00 0.00 C ATOM 594 C ASP A 39 -2.369 6.655 11.062 1.00 0.00 C ATOM 595 O ASP A 39 -2.139 6.278 9.913 1.00 0.00 O ATOM 596 CB ASP A 39 -1.475 8.853 11.857 1.00 0.00 C ATOM 597 CG ASP A 39 -0.382 9.590 12.606 1.00 0.00 C ATOM 598 OD1 ASP A 39 0.619 8.946 12.980 1.00 0.00 O ATOM 599 OD2 ASP A 39 -0.529 10.813 12.817 1.00 0.00 O ATOM 0 H ASP A 39 0.189 7.160 10.412 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.371 6.992 12.922 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.493 9.191 10.821 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.443 9.105 12.291 1.00 0.00 H new ATOM 604 N GLU A 40 -3.550 6.501 11.654 1.00 0.00 N ATOM 605 CA GLU A 40 -4.669 5.864 10.969 1.00 0.00 C ATOM 606 C GLU A 40 -4.921 6.520 9.613 1.00 0.00 C ATOM 607 O GLU A 40 -5.602 5.955 8.756 1.00 0.00 O ATOM 608 CB GLU A 40 -5.932 5.941 11.827 1.00 0.00 C ATOM 609 CG GLU A 40 -6.035 4.830 12.860 1.00 0.00 C ATOM 610 CD GLU A 40 -5.001 4.959 13.961 1.00 0.00 C ATOM 611 OE1 GLU A 40 -5.065 5.946 14.722 1.00 0.00 O ATOM 612 OE2 GLU A 40 -4.126 4.072 14.059 1.00 0.00 O ATOM 0 H GLU A 40 -3.756 6.808 12.605 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.413 4.817 10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.956 6.904 12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.806 5.903 11.177 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.032 4.840 13.300 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.915 3.866 12.365 1.00 0.00 H new ATOM 619 N HIS A 41 -4.368 7.714 9.428 1.00 0.00 N ATOM 620 CA HIS A 41 -4.534 8.447 8.178 1.00 0.00 C ATOM 621 C HIS A 41 -3.233 8.460 7.380 1.00 0.00 C ATOM 622 O HIS A 41 -3.220 8.143 6.190 1.00 0.00 O ATOM 623 CB HIS A 41 -4.989 9.879 8.457 1.00 0.00 C ATOM 624 CG HIS A 41 -6.059 9.975 9.501 1.00 0.00 C ATOM 625 ND1 HIS A 41 -7.401 9.842 9.214 1.00 0.00 N ATOM 626 CD2 HIS A 41 -5.980 10.189 10.835 1.00 0.00 C ATOM 627 CE1 HIS A 41 -8.102 9.972 10.328 1.00 0.00 C ATOM 628 NE2 HIS A 41 -7.262 10.183 11.325 1.00 0.00 N ATOM 0 H HIS A 41 -3.801 8.194 10.127 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.298 7.941 7.588 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.129 10.469 8.774 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.356 10.322 7.531 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -5.076 10.337 11.407 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -9.177 9.915 10.409 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -7.524 10.319 12.301 1.00 0.00 H new ATOM 637 N CYS A 42 -2.143 8.829 8.042 1.00 0.00 N ATOM 638 CA CYS A 42 -0.837 8.886 7.395 1.00 0.00 C ATOM 639 C CYS A 42 -0.124 7.540 7.490 1.00 0.00 C ATOM 640 O CYS A 42 0.184 7.065 8.584 1.00 0.00 O ATOM 641 CB CYS A 42 0.024 9.978 8.030 1.00 0.00 C ATOM 642 SG CYS A 42 -0.648 11.647 7.847 1.00 0.00 S ATOM 0 H CYS A 42 -2.137 9.093 9.027 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.991 9.122 6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.144 9.760 9.091 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.018 9.947 7.584 1.00 0.00 H new ATOM 0 HG CYS A 42 0.164 12.366 7.130 1.00 0.00 H new ATOM 648 N TRP A 43 0.134 6.931 6.339 1.00 0.00 N ATOM 649 CA TRP A 43 0.809 5.639 6.293 1.00 0.00 C ATOM 650 C TRP A 43 2.158 5.754 5.592 1.00 0.00 C ATOM 651 O TRP A 43 2.364 6.643 4.766 1.00 0.00 O ATOM 652 CB TRP A 43 -0.065 4.608 5.577 1.00 0.00 C ATOM 653 CG TRP A 43 -1.350 4.318 6.294 1.00 0.00 C ATOM 654 CD1 TRP A 43 -1.657 4.637 7.586 1.00 0.00 C ATOM 655 CD2 TRP A 43 -2.499 3.651 5.759 1.00 0.00 C ATOM 656 NE1 TRP A 43 -2.926 4.206 7.887 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.464 3.599 6.782 1.00 0.00 C ATOM 658 CE3 TRP A 43 -2.805 3.094 4.514 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -4.712 3.011 6.598 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -4.044 2.509 4.333 1.00 0.00 C ATOM 661 CH2 TRP A 43 -4.986 2.474 5.370 1.00 0.00 C ATOM 0 H TRP A 43 -0.114 7.310 5.425 1.00 0.00 H new ATOM 0 HA TRP A 43 0.980 5.310 7.318 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.291 4.968 4.573 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.497 3.681 5.464 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.999 5.152 8.270 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.392 4.319 8.787 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.086 3.120 3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.438 2.980 7.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.290 2.072 3.377 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -5.948 2.014 5.196 1.00 0.00 H new ATOM 672 N VAL A 44 3.073 4.849 5.926 1.00 0.00 N ATOM 673 CA VAL A 44 4.402 4.849 5.326 1.00 0.00 C ATOM 674 C VAL A 44 4.615 3.612 4.461 1.00 0.00 C ATOM 675 O VAL A 44 4.550 2.484 4.946 1.00 0.00 O ATOM 676 CB VAL A 44 5.502 4.905 6.403 1.00 0.00 C ATOM 677 CG1 VAL A 44 6.878 4.760 5.768 1.00 0.00 C ATOM 678 CG2 VAL A 44 5.407 6.199 7.196 1.00 0.00 C ATOM 0 H VAL A 44 2.918 4.107 6.608 1.00 0.00 H new ATOM 0 HA VAL A 44 4.468 5.740 4.702 1.00 0.00 H new ATOM 0 HB VAL A 44 5.355 4.073 7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.643 4.802 6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.940 3.804 5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.038 5.570 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.192 6.221 7.952 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.528 7.048 6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.433 6.257 7.682 1.00 0.00 H new ATOM 688 N GLY A 45 4.869 3.834 3.174 1.00 0.00 N ATOM 689 CA GLY A 45 5.087 2.728 2.260 1.00 0.00 C ATOM 690 C GLY A 45 6.398 2.845 1.509 1.00 0.00 C ATOM 691 O GLY A 45 7.233 3.688 1.837 1.00 0.00 O ATOM 0 H GLY A 45 4.928 4.759 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.074 1.792 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.265 2.684 1.545 1.00 0.00 H new ATOM 695 N GLU A 46 6.581 1.998 0.502 1.00 0.00 N ATOM 696 CA GLU A 46 7.802 2.011 -0.295 1.00 0.00 C ATOM 697 C GLU A 46 7.479 2.002 -1.785 1.00 0.00 C ATOM 698 O GLU A 46 6.655 1.211 -2.249 1.00 0.00 O ATOM 699 CB GLU A 46 8.678 0.807 0.056 1.00 0.00 C ATOM 700 CG GLU A 46 10.159 1.038 -0.196 1.00 0.00 C ATOM 701 CD GLU A 46 10.898 -0.241 -0.541 1.00 0.00 C ATOM 702 OE1 GLU A 46 10.905 -0.618 -1.732 1.00 0.00 O ATOM 703 OE2 GLU A 46 11.471 -0.861 0.379 1.00 0.00 O ATOM 0 H GLU A 46 5.900 1.294 0.218 1.00 0.00 H new ATOM 0 HA GLU A 46 8.346 2.927 -0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.532 0.556 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.349 -0.053 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.278 1.753 -1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.609 1.486 0.690 1.00 0.00 H new ATOM 710 N LEU A 47 8.133 2.885 -2.532 1.00 0.00 N ATOM 711 CA LEU A 47 7.916 2.979 -3.972 1.00 0.00 C ATOM 712 C LEU A 47 8.995 3.834 -4.630 1.00 0.00 C ATOM 713 O LEU A 47 9.523 4.762 -4.020 1.00 0.00 O ATOM 714 CB LEU A 47 6.535 3.570 -4.262 1.00 0.00 C ATOM 715 CG LEU A 47 6.127 3.634 -5.734 1.00 0.00 C ATOM 716 CD1 LEU A 47 5.589 2.289 -6.197 1.00 0.00 C ATOM 717 CD2 LEU A 47 5.095 4.728 -5.954 1.00 0.00 C ATOM 0 H LEU A 47 8.818 3.546 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 47 7.969 1.973 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.791 2.982 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.501 4.579 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 47 7.010 3.872 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.304 2.353 -7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.360 1.528 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.718 2.021 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.816 4.759 -7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.211 4.521 -5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.516 5.690 -5.662 1.00 0.00 H new ATOM 729 N ASN A 48 9.315 3.514 -5.879 1.00 0.00 N ATOM 730 CA ASN A 48 10.330 4.252 -6.622 1.00 0.00 C ATOM 731 C ASN A 48 11.650 4.279 -5.858 1.00 0.00 C ATOM 732 O ASN A 48 12.463 5.185 -6.035 1.00 0.00 O ATOM 733 CB ASN A 48 9.855 5.681 -6.891 1.00 0.00 C ATOM 734 CG ASN A 48 8.580 5.722 -7.712 1.00 0.00 C ATOM 735 OD1 ASN A 48 7.609 6.381 -7.341 1.00 0.00 O ATOM 736 ND2 ASN A 48 8.577 5.014 -8.837 1.00 0.00 N ATOM 0 H ASN A 48 8.886 2.748 -6.398 1.00 0.00 H new ATOM 0 HA ASN A 48 10.491 3.744 -7.573 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.689 6.191 -5.942 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.639 6.229 -7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.747 5.003 -9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.404 4.482 -9.107 1.00 0.00 H new ATOM 743 N GLY A 49 11.856 3.279 -5.006 1.00 0.00 N ATOM 744 CA GLY A 49 13.079 3.206 -4.229 1.00 0.00 C ATOM 745 C GLY A 49 13.116 4.227 -3.109 1.00 0.00 C ATOM 746 O GLY A 49 14.185 4.557 -2.594 1.00 0.00 O ATOM 0 H GLY A 49 11.197 2.518 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.179 2.206 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.934 3.362 -4.887 1.00 0.00 H new ATOM 750 N LEU A 50 11.946 4.730 -2.732 1.00 0.00 N ATOM 751 CA LEU A 50 11.848 5.721 -1.666 1.00 0.00 C ATOM 752 C LEU A 50 10.934 5.229 -0.547 1.00 0.00 C ATOM 753 O LEU A 50 10.094 4.355 -0.759 1.00 0.00 O ATOM 754 CB LEU A 50 11.324 7.046 -2.222 1.00 0.00 C ATOM 755 CG LEU A 50 11.820 7.432 -3.616 1.00 0.00 C ATOM 756 CD1 LEU A 50 10.967 8.548 -4.196 1.00 0.00 C ATOM 757 CD2 LEU A 50 13.283 7.849 -3.565 1.00 0.00 C ATOM 0 H LEU A 50 11.052 4.468 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 50 12.845 5.875 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.235 7.002 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.596 7.841 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 50 11.733 6.561 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.335 8.809 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.932 8.214 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.021 9.422 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.619 8.120 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.394 8.706 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.885 7.020 -3.192 1.00 0.00 H new ATOM 769 N ARG A 51 11.103 5.799 0.642 1.00 0.00 N ATOM 770 CA ARG A 51 10.293 5.420 1.793 1.00 0.00 C ATOM 771 C ARG A 51 9.841 6.653 2.571 1.00 0.00 C ATOM 772 O ARG A 51 10.640 7.295 3.252 1.00 0.00 O ATOM 773 CB ARG A 51 11.080 4.484 2.711 1.00 0.00 C ATOM 774 CG ARG A 51 10.206 3.508 3.480 1.00 0.00 C ATOM 775 CD ARG A 51 10.851 3.097 4.794 1.00 0.00 C ATOM 776 NE ARG A 51 11.142 4.249 5.644 1.00 0.00 N ATOM 777 CZ ARG A 51 11.939 4.196 6.706 1.00 0.00 C ATOM 778 NH1 ARG A 51 12.520 3.053 7.047 1.00 0.00 N ATOM 779 NH2 ARG A 51 12.156 5.286 7.430 1.00 0.00 N ATOM 0 H ARG A 51 11.794 6.525 0.833 1.00 0.00 H new ATOM 0 HA ARG A 51 9.408 4.899 1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.798 3.922 2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.653 5.082 3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.236 3.964 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.024 2.623 2.870 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.189 2.413 5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.774 2.554 4.591 1.00 0.00 H new ATOM 0 HE ARG A 51 10.710 5.143 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.355 2.212 6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.131 3.015 7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.711 6.167 7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.768 5.244 8.245 1.00 0.00 H new ATOM 793 N GLY A 52 8.557 6.978 2.463 1.00 0.00 N ATOM 794 CA GLY A 52 8.023 8.132 3.161 1.00 0.00 C ATOM 795 C GLY A 52 6.572 7.948 3.562 1.00 0.00 C ATOM 796 O GLY A 52 6.031 6.847 3.467 1.00 0.00 O ATOM 0 H GLY A 52 7.877 6.463 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.621 8.323 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.112 9.011 2.523 1.00 0.00 H new ATOM 800 N TRP A 53 5.944 9.027 4.012 1.00 0.00 N ATOM 801 CA TRP A 53 4.548 8.978 4.431 1.00 0.00 C ATOM 802 C TRP A 53 3.629 9.486 3.324 1.00 0.00 C ATOM 803 O TRP A 53 4.075 10.157 2.393 1.00 0.00 O ATOM 804 CB TRP A 53 4.344 9.809 5.699 1.00 0.00 C ATOM 805 CG TRP A 53 4.534 11.280 5.483 1.00 0.00 C ATOM 806 CD1 TRP A 53 5.713 11.929 5.249 1.00 0.00 C ATOM 807 CD2 TRP A 53 3.513 12.285 5.482 1.00 0.00 C ATOM 808 NE1 TRP A 53 5.486 13.277 5.103 1.00 0.00 N ATOM 809 CE2 TRP A 53 4.145 13.520 5.241 1.00 0.00 C ATOM 810 CE3 TRP A 53 2.128 12.261 5.660 1.00 0.00 C ATOM 811 CZ2 TRP A 53 3.438 14.717 5.174 1.00 0.00 C ATOM 812 CZ3 TRP A 53 1.428 13.449 5.594 1.00 0.00 C ATOM 813 CH2 TRP A 53 2.082 14.665 5.353 1.00 0.00 C ATOM 0 H TRP A 53 6.378 9.946 4.096 1.00 0.00 H new ATOM 0 HA TRP A 53 4.295 7.939 4.641 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.339 9.632 6.083 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.042 9.468 6.464 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.681 11.453 5.188 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.200 13.982 4.921 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.614 11.330 5.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.942 15.654 4.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.357 13.441 5.731 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.506 15.577 5.308 1.00 0.00 H new ATOM 824 N PHE A 54 2.344 9.162 3.431 1.00 0.00 N ATOM 825 CA PHE A 54 1.364 9.584 2.439 1.00 0.00 C ATOM 826 C PHE A 54 -0.057 9.379 2.956 1.00 0.00 C ATOM 827 O PHE A 54 -0.322 8.516 3.793 1.00 0.00 O ATOM 828 CB PHE A 54 1.561 8.808 1.134 1.00 0.00 C ATOM 829 CG PHE A 54 1.377 7.327 1.285 1.00 0.00 C ATOM 830 CD1 PHE A 54 0.108 6.781 1.417 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.471 6.477 1.295 1.00 0.00 C ATOM 832 CE1 PHE A 54 -0.064 5.417 1.556 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.303 5.110 1.433 1.00 0.00 C ATOM 834 CZ PHE A 54 1.035 4.582 1.564 1.00 0.00 C ATOM 0 H PHE A 54 1.958 8.608 4.196 1.00 0.00 H new ATOM 0 HA PHE A 54 1.512 10.647 2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.857 9.180 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.562 9.005 0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.755 7.430 1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.466 6.885 1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.057 5.005 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.164 4.457 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.902 3.516 1.673 1.00 0.00 H new ATOM 844 N PRO A 55 -0.994 10.193 2.448 1.00 0.00 N ATOM 845 CA PRO A 55 -2.404 10.121 2.843 1.00 0.00 C ATOM 846 C PRO A 55 -3.086 8.856 2.333 1.00 0.00 C ATOM 847 O PRO A 55 -3.120 8.600 1.130 1.00 0.00 O ATOM 848 CB PRO A 55 -3.019 11.361 2.190 1.00 0.00 C ATOM 849 CG PRO A 55 -2.135 11.655 1.028 1.00 0.00 C ATOM 850 CD PRO A 55 -0.750 11.245 1.447 1.00 0.00 C ATOM 0 HA PRO A 55 -2.522 10.090 3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.044 11.173 1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.051 12.200 2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.455 11.102 0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.168 12.714 0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.169 10.871 0.604 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.194 12.082 1.870 1.00 0.00 H new ATOM 858 N ALA A 56 -3.627 8.068 3.257 1.00 0.00 N ATOM 859 CA ALA A 56 -4.310 6.831 2.900 1.00 0.00 C ATOM 860 C ALA A 56 -5.589 7.115 2.122 1.00 0.00 C ATOM 861 O ALA A 56 -6.034 6.298 1.315 1.00 0.00 O ATOM 862 CB ALA A 56 -4.618 6.018 4.149 1.00 0.00 C ATOM 0 H ALA A 56 -3.605 8.265 4.258 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.647 6.251 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.128 5.097 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.688 5.775 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.259 6.599 4.813 1.00 0.00 H new ATOM 868 N LYS A 57 -6.182 8.278 2.370 1.00 0.00 N ATOM 869 CA LYS A 57 -7.412 8.672 1.693 1.00 0.00 C ATOM 870 C LYS A 57 -7.182 8.826 0.193 1.00 0.00 C ATOM 871 O LYS A 57 -8.129 8.989 -0.576 1.00 0.00 O ATOM 872 CB LYS A 57 -7.940 9.985 2.277 1.00 0.00 C ATOM 873 CG LYS A 57 -6.950 11.132 2.191 1.00 0.00 C ATOM 874 CD LYS A 57 -7.211 12.176 3.264 1.00 0.00 C ATOM 875 CE LYS A 57 -6.669 13.538 2.860 1.00 0.00 C ATOM 876 NZ LYS A 57 -7.602 14.262 1.953 1.00 0.00 N ATOM 0 H LYS A 57 -5.830 8.965 3.036 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.152 7.887 1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.853 10.265 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.209 9.826 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.936 10.747 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.014 11.596 1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.283 12.250 3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.748 11.862 4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.493 14.138 3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.706 13.413 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.195 15.185 1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.751 13.702 1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.513 14.405 2.434 1.00 0.00 H new ATOM 890 N PHE A 58 -5.919 8.773 -0.216 1.00 0.00 N ATOM 891 CA PHE A 58 -5.564 8.907 -1.625 1.00 0.00 C ATOM 892 C PHE A 58 -5.467 7.538 -2.293 1.00 0.00 C ATOM 893 O PHE A 58 -5.613 7.417 -3.509 1.00 0.00 O ATOM 894 CB PHE A 58 -4.238 9.654 -1.771 1.00 0.00 C ATOM 895 CG PHE A 58 -4.385 11.148 -1.742 1.00 0.00 C ATOM 896 CD1 PHE A 58 -4.905 11.785 -0.627 1.00 0.00 C ATOM 897 CD2 PHE A 58 -4.003 11.916 -2.829 1.00 0.00 C ATOM 898 CE1 PHE A 58 -5.042 13.160 -0.599 1.00 0.00 C ATOM 899 CE2 PHE A 58 -4.137 13.292 -2.807 1.00 0.00 C ATOM 900 CZ PHE A 58 -4.657 13.914 -1.690 1.00 0.00 C ATOM 0 H PHE A 58 -5.124 8.638 0.408 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.350 9.479 -2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.567 9.347 -0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.767 9.361 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.207 11.201 0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.595 11.434 -3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.450 13.645 0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.835 13.879 -3.662 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.763 14.989 -1.669 1.00 0.00 H new ATOM 910 N VAL A 59 -5.220 6.510 -1.487 1.00 0.00 N ATOM 911 CA VAL A 59 -5.103 5.149 -1.999 1.00 0.00 C ATOM 912 C VAL A 59 -6.143 4.232 -1.364 1.00 0.00 C ATOM 913 O VAL A 59 -6.854 4.629 -0.442 1.00 0.00 O ATOM 914 CB VAL A 59 -3.699 4.570 -1.739 1.00 0.00 C ATOM 915 CG1 VAL A 59 -2.626 5.556 -2.180 1.00 0.00 C ATOM 916 CG2 VAL A 59 -3.534 4.212 -0.271 1.00 0.00 C ATOM 0 H VAL A 59 -5.097 6.593 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.274 5.200 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.586 3.659 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.641 5.131 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.734 5.758 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.734 6.486 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.537 3.805 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.666 5.106 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.280 3.468 0.008 1.00 0.00 H new ATOM 926 N GLU A 60 -6.224 3.004 -1.866 1.00 0.00 N ATOM 927 CA GLU A 60 -7.179 2.030 -1.348 1.00 0.00 C ATOM 928 C GLU A 60 -6.481 0.723 -0.987 1.00 0.00 C ATOM 929 O GLU A 60 -5.712 0.178 -1.779 1.00 0.00 O ATOM 930 CB GLU A 60 -8.281 1.766 -2.377 1.00 0.00 C ATOM 931 CG GLU A 60 -9.534 1.144 -1.782 1.00 0.00 C ATOM 932 CD GLU A 60 -10.347 2.132 -0.969 1.00 0.00 C ATOM 933 OE1 GLU A 60 -10.673 3.213 -1.504 1.00 0.00 O ATOM 934 OE2 GLU A 60 -10.658 1.826 0.201 1.00 0.00 O ATOM 0 H GLU A 60 -5.641 2.660 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.627 2.444 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.547 2.706 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.892 1.107 -3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.153 0.744 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.252 0.303 -1.148 1.00 0.00 H new ATOM 941 N VAL A 61 -6.753 0.226 0.214 1.00 0.00 N ATOM 942 CA VAL A 61 -6.153 -1.019 0.682 1.00 0.00 C ATOM 943 C VAL A 61 -6.680 -2.213 -0.106 1.00 0.00 C ATOM 944 O VAL A 61 -7.814 -2.201 -0.586 1.00 0.00 O ATOM 945 CB VAL A 61 -6.424 -1.245 2.180 1.00 0.00 C ATOM 946 CG1 VAL A 61 -5.723 -2.505 2.666 1.00 0.00 C ATOM 947 CG2 VAL A 61 -5.986 -0.035 2.990 1.00 0.00 C ATOM 0 H VAL A 61 -7.386 0.666 0.882 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.078 -0.931 0.526 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.497 -1.378 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.926 -2.648 3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.091 -3.365 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.648 -2.406 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.185 -0.213 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.919 0.133 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.540 0.844 2.659 1.00 0.00 H new ATOM 957 N LEU A 62 -5.850 -3.243 -0.234 1.00 0.00 N ATOM 958 CA LEU A 62 -6.231 -4.446 -0.964 1.00 0.00 C ATOM 959 C LEU A 62 -6.077 -5.686 -0.087 1.00 0.00 C ATOM 960 O LEU A 62 -4.977 -6.008 0.361 1.00 0.00 O ATOM 961 CB LEU A 62 -5.383 -4.593 -2.227 1.00 0.00 C ATOM 962 CG LEU A 62 -4.891 -3.290 -2.859 1.00 0.00 C ATOM 963 CD1 LEU A 62 -3.603 -3.526 -3.634 1.00 0.00 C ATOM 964 CD2 LEU A 62 -5.961 -2.701 -3.767 1.00 0.00 C ATOM 0 H LEU A 62 -4.909 -3.268 0.159 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.279 -4.351 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.515 -5.208 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.965 -5.137 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.686 -2.576 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.268 -2.588 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.836 -3.903 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.782 -4.256 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.594 -1.774 -4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.197 -3.411 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.859 -2.495 -3.185 1.00 0.00 H new ATOM 976 N ASP A 63 -7.186 -6.377 0.151 1.00 0.00 N ATOM 977 CA ASP A 63 -7.173 -7.583 0.970 1.00 0.00 C ATOM 978 C ASP A 63 -7.079 -8.832 0.098 1.00 0.00 C ATOM 979 O ASP A 63 -8.090 -9.454 -0.224 1.00 0.00 O ATOM 980 CB ASP A 63 -8.431 -7.649 1.840 1.00 0.00 C ATOM 981 CG ASP A 63 -8.455 -6.569 2.903 1.00 0.00 C ATOM 982 OD1 ASP A 63 -7.869 -5.492 2.669 1.00 0.00 O ATOM 983 OD2 ASP A 63 -9.058 -6.802 3.971 1.00 0.00 O ATOM 0 H ASP A 63 -8.105 -6.123 -0.211 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.295 -7.544 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.313 -7.552 1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.488 -8.627 2.318 1.00 0.00 H new ATOM 988 N GLU A 64 -5.855 -9.192 -0.279 1.00 0.00 N ATOM 989 CA GLU A 64 -5.629 -10.364 -1.115 1.00 0.00 C ATOM 990 C GLU A 64 -5.878 -11.649 -0.330 1.00 0.00 C ATOM 991 O GLU A 64 -4.952 -12.242 0.221 1.00 0.00 O ATOM 992 CB GLU A 64 -4.201 -10.359 -1.665 1.00 0.00 C ATOM 993 CG GLU A 64 -3.994 -9.389 -2.816 1.00 0.00 C ATOM 994 CD GLU A 64 -2.875 -9.814 -3.744 1.00 0.00 C ATOM 995 OE1 GLU A 64 -1.874 -10.373 -3.248 1.00 0.00 O ATOM 996 OE2 GLU A 64 -2.996 -9.588 -4.966 1.00 0.00 O ATOM 0 H GLU A 64 -5.007 -8.689 -0.019 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.332 -10.325 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.512 -10.106 -0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.946 -11.365 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.920 -9.304 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.773 -8.399 -2.416 1.00 0.00 H new ATOM 1003 N ARG A 65 -7.136 -12.072 -0.283 1.00 0.00 N ATOM 1004 CA ARG A 65 -7.510 -13.284 0.436 1.00 0.00 C ATOM 1005 C ARG A 65 -8.057 -14.338 -0.523 1.00 0.00 C ATOM 1006 O ARG A 65 -8.947 -14.060 -1.325 1.00 0.00 O ATOM 1007 CB ARG A 65 -8.551 -12.966 1.509 1.00 0.00 C ATOM 1008 CG ARG A 65 -9.859 -12.429 0.949 1.00 0.00 C ATOM 1009 CD ARG A 65 -10.726 -11.824 2.041 1.00 0.00 C ATOM 1010 NE ARG A 65 -11.708 -10.885 1.504 1.00 0.00 N ATOM 1011 CZ ARG A 65 -12.347 -9.986 2.244 1.00 0.00 C ATOM 1012 NH1 ARG A 65 -12.108 -9.903 3.546 1.00 0.00 N ATOM 1013 NH2 ARG A 65 -13.225 -9.166 1.682 1.00 0.00 N ATOM 0 H ARG A 65 -7.915 -11.593 -0.735 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.616 -13.682 0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.755 -13.869 2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.135 -12.235 2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.649 -11.675 0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.403 -13.235 0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.242 -12.621 2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.092 -11.311 2.765 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.914 -10.922 0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.432 -10.531 3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.600 -9.212 4.112 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.410 -9.225 0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.715 -8.476 2.251 1.00 0.00 H new ATOM 1027 N SER A 66 -7.517 -15.550 -0.432 1.00 0.00 N ATOM 1028 CA SER A 66 -7.948 -16.645 -1.293 1.00 0.00 C ATOM 1029 C SER A 66 -8.241 -17.897 -0.475 1.00 0.00 C ATOM 1030 O SER A 66 -7.388 -18.382 0.269 1.00 0.00 O ATOM 1031 CB SER A 66 -6.877 -16.947 -2.344 1.00 0.00 C ATOM 1032 OG SER A 66 -7.292 -17.989 -3.210 1.00 0.00 O ATOM 0 H SER A 66 -6.781 -15.798 0.229 1.00 0.00 H new ATOM 0 HA SER A 66 -8.865 -16.339 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.669 -16.048 -2.925 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.947 -17.229 -1.850 1.00 0.00 H new ATOM 0 HG SER A 66 -6.591 -18.162 -3.873 1.00 0.00 H new ATOM 1038 N LYS A 67 -9.456 -18.419 -0.617 1.00 0.00 N ATOM 1039 CA LYS A 67 -9.864 -19.615 0.109 1.00 0.00 C ATOM 1040 C LYS A 67 -10.909 -20.399 -0.680 1.00 0.00 C ATOM 1041 O LYS A 67 -11.292 -20.004 -1.781 1.00 0.00 O ATOM 1042 CB LYS A 67 -10.425 -19.239 1.482 1.00 0.00 C ATOM 1043 CG LYS A 67 -11.806 -18.610 1.424 1.00 0.00 C ATOM 1044 CD LYS A 67 -12.307 -18.235 2.809 1.00 0.00 C ATOM 1045 CE LYS A 67 -11.491 -17.099 3.408 1.00 0.00 C ATOM 1046 NZ LYS A 67 -10.224 -17.588 4.017 1.00 0.00 N ATOM 0 H LYS A 67 -10.174 -18.032 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.985 -20.245 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.468 -20.133 2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.739 -18.545 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.776 -17.721 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.505 -19.306 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.355 -17.940 2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.256 -19.105 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.263 -16.368 2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.084 -16.586 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.123 -17.192 4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.244 -18.626 4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.419 -17.288 3.431 1.00 0.00 H new ATOM 1060 N GLU A 68 -11.364 -21.510 -0.110 1.00 0.00 N ATOM 1061 CA GLU A 68 -12.365 -22.347 -0.761 1.00 0.00 C ATOM 1062 C GLU A 68 -13.640 -22.419 0.073 1.00 0.00 C ATOM 1063 O GLU A 68 -13.600 -22.320 1.300 1.00 0.00 O ATOM 1064 CB GLU A 68 -11.813 -23.756 -0.990 1.00 0.00 C ATOM 1065 CG GLU A 68 -12.795 -24.692 -1.672 1.00 0.00 C ATOM 1066 CD GLU A 68 -12.137 -25.960 -2.179 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -11.291 -26.520 -1.451 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -12.469 -26.393 -3.302 1.00 0.00 O ATOM 0 H GLU A 68 -11.056 -21.851 0.800 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.606 -21.897 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.909 -23.689 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.523 -24.184 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.588 -24.954 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.266 -24.173 -2.507 1.00 0.00 H new ATOM 1075 N TYR A 69 -14.772 -22.592 -0.601 1.00 0.00 N ATOM 1076 CA TYR A 69 -16.060 -22.674 0.076 1.00 0.00 C ATOM 1077 C TYR A 69 -16.436 -24.125 0.359 1.00 0.00 C ATOM 1078 O TYR A 69 -16.288 -24.994 -0.500 1.00 0.00 O ATOM 1079 CB TYR A 69 -17.147 -22.009 -0.769 1.00 0.00 C ATOM 1080 CG TYR A 69 -17.138 -20.499 -0.690 1.00 0.00 C ATOM 1081 CD1 TYR A 69 -15.951 -19.786 -0.792 1.00 0.00 C ATOM 1082 CD2 TYR A 69 -18.317 -19.785 -0.514 1.00 0.00 C ATOM 1083 CE1 TYR A 69 -15.936 -18.406 -0.719 1.00 0.00 C ATOM 1084 CE2 TYR A 69 -18.313 -18.406 -0.442 1.00 0.00 C ATOM 1085 CZ TYR A 69 -17.121 -17.720 -0.544 1.00 0.00 C ATOM 1086 OH TYR A 69 -17.111 -16.346 -0.472 1.00 0.00 O ATOM 0 H TYR A 69 -14.823 -22.678 -1.616 1.00 0.00 H new ATOM 0 HA TYR A 69 -15.976 -22.148 1.027 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.022 -22.311 -1.809 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.121 -22.375 -0.446 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.022 -20.320 -0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -19.253 -20.318 -0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -15.003 -17.868 -0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -19.239 -17.867 -0.306 1.00 0.00 H new ATOM 0 HH TYR A 69 -18.026 -16.018 -0.349 1.00 0.00 H new ATOM 1096 N SER A 70 -16.924 -24.380 1.568 1.00 0.00 N ATOM 1097 CA SER A 70 -17.319 -25.725 1.967 1.00 0.00 C ATOM 1098 C SER A 70 -18.143 -26.397 0.871 1.00 0.00 C ATOM 1099 O SER A 70 -18.637 -25.735 -0.042 1.00 0.00 O ATOM 1100 CB SER A 70 -18.121 -25.681 3.268 1.00 0.00 C ATOM 1101 OG SER A 70 -17.988 -26.891 3.991 1.00 0.00 O ATOM 0 H SER A 70 -17.056 -23.671 2.290 1.00 0.00 H new ATOM 0 HA SER A 70 -16.413 -26.309 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 70 -17.779 -24.848 3.882 1.00 0.00 H new ATOM 0 HB3 SER A 70 -19.173 -25.501 3.044 1.00 0.00 H new ATOM 0 HG SER A 70 -18.509 -26.836 4.819 1.00 0.00 H new ATOM 1107 N ILE A 71 -18.285 -27.712 0.970 1.00 0.00 N ATOM 1108 CA ILE A 71 -19.050 -28.474 -0.011 1.00 0.00 C ATOM 1109 C ILE A 71 -20.395 -27.813 -0.290 1.00 0.00 C ATOM 1110 O ILE A 71 -21.368 -28.036 0.428 1.00 0.00 O ATOM 1111 CB ILE A 71 -19.289 -29.921 0.462 1.00 0.00 C ATOM 1112 CG1 ILE A 71 -17.955 -30.622 0.722 1.00 0.00 C ATOM 1113 CG2 ILE A 71 -20.104 -30.686 -0.570 1.00 0.00 C ATOM 1114 CD1 ILE A 71 -17.016 -30.593 -0.463 1.00 0.00 C ATOM 0 H ILE A 71 -17.881 -28.274 1.719 1.00 0.00 H new ATOM 0 HA ILE A 71 -18.460 -28.493 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.852 -29.896 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -17.466 -30.150 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -18.146 -31.659 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -20.265 -31.707 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -21.067 -30.194 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -19.565 -30.706 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -16.090 -31.108 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -17.485 -31.091 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -16.794 -29.559 -0.726 1.00 0.00 H new ATOM 1126 N ALA A 72 -20.442 -27.002 -1.341 1.00 0.00 N ATOM 1127 CA ALA A 72 -21.670 -26.313 -1.721 1.00 0.00 C ATOM 1128 C ALA A 72 -22.330 -26.985 -2.919 1.00 0.00 C ATOM 1129 O ALA A 72 -21.690 -27.743 -3.648 1.00 0.00 O ATOM 1130 CB ALA A 72 -21.380 -24.851 -2.028 1.00 0.00 C ATOM 0 H ALA A 72 -19.644 -26.805 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 72 -22.362 -26.368 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -22.305 -24.348 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -20.961 -24.370 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -20.667 -24.786 -2.850 1.00 0.00 H new ATOM 1136 N SER A 73 -23.614 -26.705 -3.115 1.00 0.00 N ATOM 1137 CA SER A 73 -24.363 -27.288 -4.223 1.00 0.00 C ATOM 1138 C SER A 73 -23.529 -27.293 -5.499 1.00 0.00 C ATOM 1139 O SER A 73 -23.468 -28.296 -6.211 1.00 0.00 O ATOM 1140 CB SER A 73 -25.662 -26.512 -4.452 1.00 0.00 C ATOM 1141 OG SER A 73 -26.311 -26.942 -5.636 1.00 0.00 O ATOM 0 H SER A 73 -24.158 -26.078 -2.522 1.00 0.00 H new ATOM 0 HA SER A 73 -24.605 -28.319 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 73 -26.326 -26.649 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 73 -25.445 -25.446 -4.519 1.00 0.00 H new ATOM 0 HG SER A 73 -27.139 -26.432 -5.759 1.00 0.00 H new ATOM 1147 N GLY A 74 -22.886 -26.165 -5.784 1.00 0.00 N ATOM 1148 CA GLY A 74 -22.062 -26.060 -6.974 1.00 0.00 C ATOM 1149 C GLY A 74 -21.814 -24.621 -7.383 1.00 0.00 C ATOM 1150 O GLY A 74 -22.502 -24.071 -8.242 1.00 0.00 O ATOM 0 H GLY A 74 -22.921 -25.321 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -21.107 -26.553 -6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -22.546 -26.590 -7.795 1.00 0.00 H new ATOM 1154 N PRO A 75 -20.812 -23.989 -6.757 1.00 0.00 N ATOM 1155 CA PRO A 75 -20.453 -22.596 -7.043 1.00 0.00 C ATOM 1156 C PRO A 75 -19.827 -22.431 -8.422 1.00 0.00 C ATOM 1157 O PRO A 75 -18.676 -22.808 -8.640 1.00 0.00 O ATOM 1158 CB PRO A 75 -19.437 -22.259 -5.949 1.00 0.00 C ATOM 1159 CG PRO A 75 -18.848 -23.572 -5.562 1.00 0.00 C ATOM 1160 CD PRO A 75 -19.951 -24.582 -5.721 1.00 0.00 C ATOM 0 HA PRO A 75 -21.326 -21.943 -7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -18.672 -21.575 -6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.917 -21.774 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -17.997 -23.820 -6.196 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -18.484 -23.549 -4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -19.564 -25.554 -6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -20.493 -24.735 -4.788 1.00 0.00 H new ATOM 1168 N SER A 76 -20.590 -21.863 -9.351 1.00 0.00 N ATOM 1169 CA SER A 76 -20.110 -21.651 -10.712 1.00 0.00 C ATOM 1170 C SER A 76 -20.336 -20.207 -11.148 1.00 0.00 C ATOM 1171 O SER A 76 -21.045 -19.450 -10.486 1.00 0.00 O ATOM 1172 CB SER A 76 -20.813 -22.605 -11.678 1.00 0.00 C ATOM 1173 OG SER A 76 -20.455 -23.951 -11.417 1.00 0.00 O ATOM 0 H SER A 76 -21.544 -21.541 -9.186 1.00 0.00 H new ATOM 0 HA SER A 76 -19.039 -21.854 -10.730 1.00 0.00 H new ATOM 0 HB2 SER A 76 -21.893 -22.489 -11.587 1.00 0.00 H new ATOM 0 HB3 SER A 76 -20.550 -22.348 -12.704 1.00 0.00 H new ATOM 0 HG SER A 76 -20.919 -24.541 -12.047 1.00 0.00 H new ATOM 1179 N SER A 77 -19.729 -19.833 -12.270 1.00 0.00 N ATOM 1180 CA SER A 77 -19.861 -18.479 -12.796 1.00 0.00 C ATOM 1181 C SER A 77 -20.570 -18.488 -14.148 1.00 0.00 C ATOM 1182 O SER A 77 -20.253 -19.293 -15.021 1.00 0.00 O ATOM 1183 CB SER A 77 -18.485 -17.826 -12.933 1.00 0.00 C ATOM 1184 OG SER A 77 -18.596 -16.499 -13.416 1.00 0.00 O ATOM 0 H SER A 77 -19.141 -20.448 -12.832 1.00 0.00 H new ATOM 0 HA SER A 77 -20.461 -17.900 -12.094 1.00 0.00 H new ATOM 0 HB2 SER A 77 -17.982 -17.823 -11.966 1.00 0.00 H new ATOM 0 HB3 SER A 77 -17.867 -18.413 -13.612 1.00 0.00 H new ATOM 0 HG SER A 77 -17.703 -16.103 -13.493 1.00 0.00 H new ATOM 1190 N GLY A 78 -21.532 -17.583 -14.310 1.00 0.00 N ATOM 1191 CA GLY A 78 -22.270 -17.502 -15.556 1.00 0.00 C ATOM 1192 C GLY A 78 -21.536 -16.705 -16.616 1.00 0.00 C ATOM 1193 O GLY A 78 -20.309 -16.609 -16.589 1.00 0.00 O ATOM 0 H GLY A 78 -21.812 -16.906 -13.601 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.458 -18.509 -15.929 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -23.241 -17.044 -15.370 1.00 0.00 H new TER 1197 GLY A 78