USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 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 Set 1.1: A 11 LYS NZ :NH3+ 153:sc= 0.031 (180deg=0) USER MOD Set 1.2: A 29 ASN : amide:sc= -0.992 K(o=-0.96,f=-0.31) 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 45:sc= 0.41 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.061) USER MOD Single : A 42 CYS SG : rot 180:sc= -2.41 USER MOD Single : A 48 ASN : amide:sc= -0.673 K(o=-0.67,f=0) 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+ 180:sc= 0 (180deg=0) 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 14.847 -9.862 8.307 1.00 0.00 N ATOM 2 CA GLY A 1 13.486 -10.086 8.756 1.00 0.00 C ATOM 3 C GLY A 1 12.936 -11.421 8.293 1.00 0.00 C ATOM 4 O GLY A 1 12.468 -11.550 7.162 1.00 0.00 O ATOM 0 H1 GLY A 1 15.178 -8.937 8.649 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.464 -10.610 8.682 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.877 -9.878 7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.454 -10.041 9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.847 -9.285 8.384 1.00 0.00 H new ATOM 8 N SER A 2 12.995 -12.419 9.170 1.00 0.00 N ATOM 9 CA SER A 2 12.504 -13.753 8.844 1.00 0.00 C ATOM 10 C SER A 2 11.012 -13.721 8.529 1.00 0.00 C ATOM 11 O SER A 2 10.563 -14.292 7.535 1.00 0.00 O ATOM 12 CB SER A 2 12.772 -14.716 10.003 1.00 0.00 C ATOM 13 OG SER A 2 12.431 -16.045 9.650 1.00 0.00 O ATOM 0 H SER A 2 13.378 -12.329 10.111 1.00 0.00 H new ATOM 0 HA SER A 2 13.037 -14.103 7.960 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.824 -14.669 10.283 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.196 -14.409 10.876 1.00 0.00 H new ATOM 0 HG SER A 2 12.613 -16.641 10.406 1.00 0.00 H new ATOM 19 N SER A 3 10.248 -13.048 9.383 1.00 0.00 N ATOM 20 CA SER A 3 8.805 -12.944 9.200 1.00 0.00 C ATOM 21 C SER A 3 8.472 -12.382 7.821 1.00 0.00 C ATOM 22 O SER A 3 9.211 -11.562 7.278 1.00 0.00 O ATOM 23 CB SER A 3 8.194 -12.055 10.286 1.00 0.00 C ATOM 24 OG SER A 3 6.791 -12.240 10.366 1.00 0.00 O ATOM 0 H SER A 3 10.604 -12.566 10.209 1.00 0.00 H new ATOM 0 HA SER A 3 8.381 -13.945 9.278 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.650 -12.286 11.249 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.415 -11.009 10.071 1.00 0.00 H new ATOM 0 HG SER A 3 6.424 -11.663 11.068 1.00 0.00 H new ATOM 30 N GLY A 4 7.354 -12.833 7.259 1.00 0.00 N ATOM 31 CA GLY A 4 6.942 -12.365 5.949 1.00 0.00 C ATOM 32 C GLY A 4 5.518 -11.844 5.939 1.00 0.00 C ATOM 33 O GLY A 4 5.223 -10.829 5.309 1.00 0.00 O ATOM 0 H GLY A 4 6.727 -13.514 7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.617 -11.575 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.032 -13.180 5.231 1.00 0.00 H new ATOM 37 N SER A 5 4.629 -12.542 6.642 1.00 0.00 N ATOM 38 CA SER A 5 3.227 -12.148 6.707 1.00 0.00 C ATOM 39 C SER A 5 3.093 -10.632 6.813 1.00 0.00 C ATOM 40 O SER A 5 2.310 -10.015 6.093 1.00 0.00 O ATOM 41 CB SER A 5 2.543 -12.817 7.900 1.00 0.00 C ATOM 42 OG SER A 5 2.461 -14.220 7.723 1.00 0.00 O ATOM 0 H SER A 5 4.856 -13.382 7.174 1.00 0.00 H new ATOM 0 HA SER A 5 2.740 -12.474 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.097 -12.595 8.812 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.542 -12.405 8.027 1.00 0.00 H new ATOM 0 HG SER A 5 2.021 -14.623 8.501 1.00 0.00 H new ATOM 48 N SER A 6 3.866 -10.037 7.719 1.00 0.00 N ATOM 49 CA SER A 6 3.832 -8.595 7.922 1.00 0.00 C ATOM 50 C SER A 6 4.120 -7.855 6.620 1.00 0.00 C ATOM 51 O SER A 6 5.275 -7.685 6.230 1.00 0.00 O ATOM 52 CB SER A 6 4.849 -8.186 8.990 1.00 0.00 C ATOM 53 OG SER A 6 6.136 -8.700 8.692 1.00 0.00 O ATOM 0 H SER A 6 4.522 -10.533 8.322 1.00 0.00 H new ATOM 0 HA SER A 6 2.831 -8.324 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.894 -7.099 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.525 -8.551 9.964 1.00 0.00 H new ATOM 0 HG SER A 6 6.335 -8.554 7.744 1.00 0.00 H new ATOM 59 N GLY A 7 3.059 -7.414 5.951 1.00 0.00 N ATOM 60 CA GLY A 7 3.216 -6.698 4.698 1.00 0.00 C ATOM 61 C GLY A 7 1.907 -6.537 3.953 1.00 0.00 C ATOM 62 O GLY A 7 1.145 -7.495 3.810 1.00 0.00 O ATOM 0 H GLY A 7 2.093 -7.540 6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.641 -5.714 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.927 -7.230 4.066 1.00 0.00 H new ATOM 66 N ARG A 8 1.641 -5.325 3.479 1.00 0.00 N ATOM 67 CA ARG A 8 0.413 -5.042 2.746 1.00 0.00 C ATOM 68 C ARG A 8 0.696 -4.173 1.525 1.00 0.00 C ATOM 69 O ARG A 8 1.832 -3.757 1.295 1.00 0.00 O ATOM 70 CB ARG A 8 -0.601 -4.347 3.656 1.00 0.00 C ATOM 71 CG ARG A 8 -1.471 -5.310 4.448 1.00 0.00 C ATOM 72 CD ARG A 8 -2.840 -4.715 4.738 1.00 0.00 C ATOM 73 NE ARG A 8 -3.810 -5.736 5.125 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.920 -6.213 6.360 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.124 -5.765 7.321 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.827 -7.142 6.635 1.00 0.00 N ATOM 0 H ARG A 8 2.260 -4.522 3.590 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.004 -5.990 2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.068 -3.698 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.242 -3.707 3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.588 -6.239 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.976 -5.561 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.753 -3.977 5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.201 -4.188 3.854 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.437 -6.103 4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.425 -5.052 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.211 -6.133 8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.440 -7.490 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.911 -7.508 7.583 1.00 0.00 H new ATOM 90 N ARG A 9 -0.346 -3.903 0.744 1.00 0.00 N ATOM 91 CA ARG A 9 -0.208 -3.084 -0.455 1.00 0.00 C ATOM 92 C ARG A 9 -1.479 -2.276 -0.710 1.00 0.00 C ATOM 93 O ARG A 9 -2.588 -2.763 -0.494 1.00 0.00 O ATOM 94 CB ARG A 9 0.102 -3.965 -1.667 1.00 0.00 C ATOM 95 CG ARG A 9 1.419 -4.712 -1.556 1.00 0.00 C ATOM 96 CD ARG A 9 2.041 -4.951 -2.923 1.00 0.00 C ATOM 97 NE ARG A 9 1.516 -6.158 -3.560 1.00 0.00 N ATOM 98 CZ ARG A 9 2.086 -6.743 -4.606 1.00 0.00 C ATOM 99 NH1 ARG A 9 3.194 -6.238 -5.131 1.00 0.00 N ATOM 100 NH2 ARG A 9 1.549 -7.838 -5.130 1.00 0.00 N ATOM 0 H ARG A 9 -1.293 -4.239 0.920 1.00 0.00 H new ATOM 0 HA ARG A 9 0.618 -2.390 -0.299 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.705 -4.686 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.121 -3.343 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.110 -4.142 -0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.256 -5.667 -1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.850 -4.090 -3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.123 -5.037 -2.819 1.00 0.00 H new ATOM 0 HE ARG A 9 0.665 -6.573 -3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.611 -5.397 -4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.630 -6.690 -5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.697 -8.231 -4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.988 -8.287 -5.934 1.00 0.00 H new ATOM 114 N ALA A 10 -1.306 -1.042 -1.171 1.00 0.00 N ATOM 115 CA ALA A 10 -2.437 -0.169 -1.457 1.00 0.00 C ATOM 116 C ALA A 10 -2.371 0.366 -2.884 1.00 0.00 C ATOM 117 O ALA A 10 -1.313 0.780 -3.354 1.00 0.00 O ATOM 118 CB ALA A 10 -2.479 0.982 -0.462 1.00 0.00 C ATOM 0 H ALA A 10 -0.394 -0.625 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.351 -0.755 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.329 1.627 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.581 0.586 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.557 1.559 -0.534 1.00 0.00 H new ATOM 124 N LYS A 11 -3.510 0.350 -3.569 1.00 0.00 N ATOM 125 CA LYS A 11 -3.583 0.832 -4.943 1.00 0.00 C ATOM 126 C LYS A 11 -3.863 2.332 -4.979 1.00 0.00 C ATOM 127 O LYS A 11 -4.778 2.817 -4.312 1.00 0.00 O ATOM 128 CB LYS A 11 -4.672 0.081 -5.712 1.00 0.00 C ATOM 129 CG LYS A 11 -4.604 0.283 -7.216 1.00 0.00 C ATOM 130 CD LYS A 11 -5.846 -0.253 -7.907 1.00 0.00 C ATOM 131 CE LYS A 11 -7.013 0.715 -7.786 1.00 0.00 C ATOM 132 NZ LYS A 11 -6.999 1.737 -8.870 1.00 0.00 N ATOM 0 H LYS A 11 -4.395 0.008 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.619 0.648 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.591 -0.984 -5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.648 0.407 -5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.493 1.345 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.721 -0.219 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.629 -0.433 -8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.121 -1.213 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.951 0.160 -7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.974 1.212 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.969 2.067 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.407 2.542 -8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.611 1.317 -9.738 1.00 0.00 H new ATOM 146 N ALA A 12 -3.072 3.058 -5.760 1.00 0.00 N ATOM 147 CA ALA A 12 -3.239 4.501 -5.886 1.00 0.00 C ATOM 148 C ALA A 12 -4.451 4.842 -6.745 1.00 0.00 C ATOM 149 O ALA A 12 -4.425 4.681 -7.966 1.00 0.00 O ATOM 150 CB ALA A 12 -1.982 5.128 -6.470 1.00 0.00 C ATOM 0 H ALA A 12 -2.309 2.671 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.407 4.910 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.120 6.206 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.135 4.924 -5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.788 4.705 -7.456 1.00 0.00 H new ATOM 156 N LEU A 13 -5.513 5.312 -6.101 1.00 0.00 N ATOM 157 CA LEU A 13 -6.737 5.676 -6.806 1.00 0.00 C ATOM 158 C LEU A 13 -6.481 6.810 -7.792 1.00 0.00 C ATOM 159 O LEU A 13 -7.103 6.878 -8.854 1.00 0.00 O ATOM 160 CB LEU A 13 -7.821 6.088 -5.810 1.00 0.00 C ATOM 161 CG LEU A 13 -8.060 5.129 -4.642 1.00 0.00 C ATOM 162 CD1 LEU A 13 -8.746 5.848 -3.492 1.00 0.00 C ATOM 163 CD2 LEU A 13 -8.884 3.932 -5.095 1.00 0.00 C ATOM 0 H LEU A 13 -5.551 5.450 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.077 4.803 -7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.560 7.065 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.758 6.208 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.094 4.767 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.908 5.150 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.118 6.671 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.706 6.240 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.044 3.260 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.847 4.275 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.352 3.402 -5.885 1.00 0.00 H new ATOM 175 N LEU A 14 -5.558 7.698 -7.439 1.00 0.00 N ATOM 176 CA LEU A 14 -5.216 8.829 -8.295 1.00 0.00 C ATOM 177 C LEU A 14 -3.729 9.153 -8.202 1.00 0.00 C ATOM 178 O LEU A 14 -3.002 8.557 -7.406 1.00 0.00 O ATOM 179 CB LEU A 14 -6.041 10.057 -7.904 1.00 0.00 C ATOM 180 CG LEU A 14 -5.680 10.712 -6.569 1.00 0.00 C ATOM 181 CD1 LEU A 14 -6.063 12.183 -6.576 1.00 0.00 C ATOM 182 CD2 LEU A 14 -6.362 9.986 -5.419 1.00 0.00 C ATOM 0 H LEU A 14 -5.033 7.657 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.446 8.556 -9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.939 10.804 -8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.092 9.769 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.601 10.640 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.799 12.632 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.529 12.694 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.137 12.279 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.095 10.465 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.443 10.027 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.038 8.945 -5.402 1.00 0.00 H new ATOM 194 N ASP A 15 -3.282 10.098 -9.021 1.00 0.00 N ATOM 195 CA ASP A 15 -1.880 10.502 -9.029 1.00 0.00 C ATOM 196 C ASP A 15 -1.587 11.470 -7.887 1.00 0.00 C ATOM 197 O ASP A 15 -2.425 12.298 -7.530 1.00 0.00 O ATOM 198 CB ASP A 15 -1.523 11.152 -10.368 1.00 0.00 C ATOM 199 CG ASP A 15 -0.262 11.990 -10.286 1.00 0.00 C ATOM 200 OD1 ASP A 15 0.835 11.434 -10.500 1.00 0.00 O ATOM 201 OD2 ASP A 15 -0.373 13.202 -10.010 1.00 0.00 O ATOM 0 H ASP A 15 -3.869 10.599 -9.688 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.269 9.610 -8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.392 10.376 -11.122 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.352 11.779 -10.697 1.00 0.00 H new ATOM 206 N PHE A 16 -0.392 11.358 -7.317 1.00 0.00 N ATOM 207 CA PHE A 16 0.012 12.221 -6.213 1.00 0.00 C ATOM 208 C PHE A 16 1.488 12.591 -6.323 1.00 0.00 C ATOM 209 O PHE A 16 2.361 11.723 -6.283 1.00 0.00 O ATOM 210 CB PHE A 16 -0.254 11.530 -4.874 1.00 0.00 C ATOM 211 CG PHE A 16 0.119 12.366 -3.683 1.00 0.00 C ATOM 212 CD1 PHE A 16 -0.559 13.543 -3.407 1.00 0.00 C ATOM 213 CD2 PHE A 16 1.147 11.977 -2.840 1.00 0.00 C ATOM 214 CE1 PHE A 16 -0.219 14.315 -2.311 1.00 0.00 C ATOM 215 CE2 PHE A 16 1.492 12.744 -1.743 1.00 0.00 C ATOM 216 CZ PHE A 16 0.808 13.915 -1.480 1.00 0.00 C ATOM 0 H PHE A 16 0.314 10.678 -7.601 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.578 13.136 -6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.311 11.273 -4.811 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.304 10.594 -4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.362 13.861 -4.055 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.686 11.063 -3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.756 15.229 -2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.295 12.428 -1.093 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.077 14.517 -0.625 1.00 0.00 H new ATOM 226 N GLU A 17 1.759 13.885 -6.463 1.00 0.00 N ATOM 227 CA GLU A 17 3.129 14.370 -6.581 1.00 0.00 C ATOM 228 C GLU A 17 3.634 14.905 -5.244 1.00 0.00 C ATOM 229 O GLU A 17 3.354 16.046 -4.876 1.00 0.00 O ATOM 230 CB GLU A 17 3.217 15.464 -7.647 1.00 0.00 C ATOM 231 CG GLU A 17 2.752 15.013 -9.022 1.00 0.00 C ATOM 232 CD GLU A 17 3.401 15.801 -10.144 1.00 0.00 C ATOM 233 OE1 GLU A 17 4.507 15.415 -10.575 1.00 0.00 O ATOM 234 OE2 GLU A 17 2.802 16.802 -10.589 1.00 0.00 O ATOM 0 H GLU A 17 1.048 14.616 -6.497 1.00 0.00 H new ATOM 0 HA GLU A 17 3.759 13.532 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.616 16.317 -7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.248 15.809 -7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.978 13.954 -9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.669 15.118 -9.088 1.00 0.00 H new ATOM 241 N ARG A 18 4.378 14.074 -4.523 1.00 0.00 N ATOM 242 CA ARG A 18 4.921 14.461 -3.227 1.00 0.00 C ATOM 243 C ARG A 18 5.601 15.826 -3.309 1.00 0.00 C ATOM 244 O ARG A 18 6.073 16.233 -4.371 1.00 0.00 O ATOM 245 CB ARG A 18 5.917 13.411 -2.732 1.00 0.00 C ATOM 246 CG ARG A 18 7.257 13.460 -3.447 1.00 0.00 C ATOM 247 CD ARG A 18 7.227 12.660 -4.740 1.00 0.00 C ATOM 248 NE ARG A 18 6.776 13.467 -5.872 1.00 0.00 N ATOM 249 CZ ARG A 18 7.025 13.159 -7.138 1.00 0.00 C ATOM 250 NH1 ARG A 18 7.715 12.068 -7.436 1.00 0.00 N ATOM 251 NH2 ARG A 18 6.580 13.944 -8.113 1.00 0.00 N ATOM 0 H ARG A 18 4.619 13.127 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 18 4.094 14.527 -2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.079 13.551 -1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.482 12.420 -2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.517 14.496 -3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.035 13.067 -2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.223 12.269 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.566 11.802 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 18 6.241 14.313 -5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.057 11.461 -6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.904 11.835 -8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.047 14.784 -7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.772 13.707 -9.086 1.00 0.00 H new ATOM 265 N HIS A 19 5.648 16.526 -2.180 1.00 0.00 N ATOM 266 CA HIS A 19 6.271 17.844 -2.124 1.00 0.00 C ATOM 267 C HIS A 19 7.589 17.789 -1.358 1.00 0.00 C ATOM 268 O HIS A 19 8.621 18.247 -1.848 1.00 0.00 O ATOM 269 CB HIS A 19 5.327 18.850 -1.464 1.00 0.00 C ATOM 270 CG HIS A 19 4.075 19.099 -2.249 1.00 0.00 C ATOM 271 ND1 HIS A 19 2.827 18.691 -1.827 1.00 0.00 N ATOM 272 CD2 HIS A 19 3.883 19.721 -3.437 1.00 0.00 C ATOM 273 CE1 HIS A 19 1.924 19.049 -2.720 1.00 0.00 C ATOM 274 NE2 HIS A 19 2.538 19.677 -3.707 1.00 0.00 N ATOM 0 H HIS A 19 5.263 16.203 -1.292 1.00 0.00 H new ATOM 0 HA HIS A 19 6.477 18.165 -3.145 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.058 18.487 -0.472 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.854 19.794 -1.326 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.646 20.168 -4.056 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.863 18.861 -2.655 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.086 20.066 -4.535 1.00 0.00 H new ATOM 283 N ASP A 20 7.546 17.230 -0.155 1.00 0.00 N ATOM 284 CA ASP A 20 8.737 17.115 0.678 1.00 0.00 C ATOM 285 C ASP A 20 9.461 15.799 0.414 1.00 0.00 C ATOM 286 O ASP A 20 8.830 14.762 0.209 1.00 0.00 O ATOM 287 CB ASP A 20 8.362 17.216 2.158 1.00 0.00 C ATOM 288 CG ASP A 20 9.579 17.311 3.059 1.00 0.00 C ATOM 289 OD1 ASP A 20 10.306 16.302 3.182 1.00 0.00 O ATOM 290 OD2 ASP A 20 9.805 18.394 3.640 1.00 0.00 O ATOM 0 H ASP A 20 6.699 16.849 0.266 1.00 0.00 H new ATOM 0 HA ASP A 20 9.408 17.935 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.731 18.092 2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.772 16.344 2.440 1.00 0.00 H new ATOM 295 N ASP A 21 10.789 15.849 0.419 1.00 0.00 N ATOM 296 CA ASP A 21 11.599 14.660 0.180 1.00 0.00 C ATOM 297 C ASP A 21 11.034 13.457 0.928 1.00 0.00 C ATOM 298 O ASP A 21 11.068 12.332 0.429 1.00 0.00 O ATOM 299 CB ASP A 21 13.047 14.908 0.609 1.00 0.00 C ATOM 300 CG ASP A 21 13.772 15.858 -0.325 1.00 0.00 C ATOM 301 OD1 ASP A 21 13.403 15.914 -1.515 1.00 0.00 O ATOM 302 OD2 ASP A 21 14.710 16.542 0.135 1.00 0.00 O ATOM 0 H ASP A 21 11.327 16.699 0.586 1.00 0.00 H new ATOM 0 HA ASP A 21 11.576 14.445 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.059 15.317 1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.581 13.958 0.643 1.00 0.00 H new ATOM 307 N ASP A 22 10.514 13.702 2.125 1.00 0.00 N ATOM 308 CA ASP A 22 9.940 12.639 2.942 1.00 0.00 C ATOM 309 C ASP A 22 8.650 12.110 2.320 1.00 0.00 C ATOM 310 O ASP A 22 8.468 10.903 2.180 1.00 0.00 O ATOM 311 CB ASP A 22 9.668 13.145 4.359 1.00 0.00 C ATOM 312 CG ASP A 22 10.928 13.221 5.198 1.00 0.00 C ATOM 313 OD1 ASP A 22 11.851 12.416 4.957 1.00 0.00 O ATOM 314 OD2 ASP A 22 10.990 14.086 6.097 1.00 0.00 O ATOM 0 H ASP A 22 10.478 14.628 2.552 1.00 0.00 H new ATOM 0 HA ASP A 22 10.660 11.822 2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.209 14.132 4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.950 12.485 4.846 1.00 0.00 H new ATOM 319 N GLU A 23 7.761 13.026 1.949 1.00 0.00 N ATOM 320 CA GLU A 23 6.487 12.653 1.345 1.00 0.00 C ATOM 321 C GLU A 23 6.701 11.694 0.177 1.00 0.00 C ATOM 322 O GLU A 23 7.575 11.908 -0.664 1.00 0.00 O ATOM 323 CB GLU A 23 5.739 13.898 0.867 1.00 0.00 C ATOM 324 CG GLU A 23 5.187 14.749 1.999 1.00 0.00 C ATOM 325 CD GLU A 23 4.048 15.644 1.552 1.00 0.00 C ATOM 326 OE1 GLU A 23 4.026 16.031 0.366 1.00 0.00 O ATOM 327 OE2 GLU A 23 3.177 15.958 2.392 1.00 0.00 O ATOM 0 H GLU A 23 7.899 14.031 2.056 1.00 0.00 H new ATOM 0 HA GLU A 23 5.888 12.149 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.412 14.506 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.917 13.592 0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.840 14.099 2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.988 15.364 2.410 1.00 0.00 H new ATOM 334 N LEU A 24 5.898 10.637 0.133 1.00 0.00 N ATOM 335 CA LEU A 24 5.997 9.645 -0.932 1.00 0.00 C ATOM 336 C LEU A 24 4.911 9.860 -1.981 1.00 0.00 C ATOM 337 O LEU A 24 3.721 9.867 -1.665 1.00 0.00 O ATOM 338 CB LEU A 24 5.890 8.234 -0.351 1.00 0.00 C ATOM 339 CG LEU A 24 6.052 7.084 -1.347 1.00 0.00 C ATOM 340 CD1 LEU A 24 7.487 7.006 -1.843 1.00 0.00 C ATOM 341 CD2 LEU A 24 5.631 5.765 -0.713 1.00 0.00 C ATOM 0 H LEU A 24 5.171 10.445 0.822 1.00 0.00 H new ATOM 0 HA LEU A 24 6.968 9.761 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.646 8.124 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.919 8.135 0.133 1.00 0.00 H new ATOM 0 HG LEU A 24 5.404 7.275 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.583 6.182 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.753 7.941 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.155 6.839 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.753 4.958 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.252 5.566 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.586 5.825 -0.409 1.00 0.00 H new ATOM 353 N GLY A 25 5.329 10.032 -3.231 1.00 0.00 N ATOM 354 CA GLY A 25 4.378 10.244 -4.308 1.00 0.00 C ATOM 355 C GLY A 25 4.118 8.981 -5.107 1.00 0.00 C ATOM 356 O GLY A 25 4.723 7.940 -4.850 1.00 0.00 O ATOM 0 H GLY A 25 6.308 10.028 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.438 10.608 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.754 11.021 -4.974 1.00 0.00 H new ATOM 360 N PHE A 26 3.214 9.071 -6.077 1.00 0.00 N ATOM 361 CA PHE A 26 2.872 7.928 -6.913 1.00 0.00 C ATOM 362 C PHE A 26 1.941 8.343 -8.048 1.00 0.00 C ATOM 363 O PHE A 26 1.556 9.507 -8.155 1.00 0.00 O ATOM 364 CB PHE A 26 2.213 6.834 -6.072 1.00 0.00 C ATOM 365 CG PHE A 26 1.305 7.364 -5.000 1.00 0.00 C ATOM 366 CD1 PHE A 26 1.800 7.671 -3.743 1.00 0.00 C ATOM 367 CD2 PHE A 26 -0.045 7.558 -5.250 1.00 0.00 C ATOM 368 CE1 PHE A 26 0.967 8.160 -2.755 1.00 0.00 C ATOM 369 CE2 PHE A 26 -0.882 8.047 -4.266 1.00 0.00 C ATOM 370 CZ PHE A 26 -0.376 8.350 -3.017 1.00 0.00 C ATOM 0 H PHE A 26 2.705 9.925 -6.303 1.00 0.00 H new ATOM 0 HA PHE A 26 3.793 7.538 -7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.642 6.178 -6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.990 6.225 -5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.849 7.526 -3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.447 7.324 -6.225 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.366 8.393 -1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.932 8.192 -4.473 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.029 8.734 -2.247 1.00 0.00 H new ATOM 380 N ARG A 27 1.582 7.381 -8.892 1.00 0.00 N ATOM 381 CA ARG A 27 0.698 7.646 -10.021 1.00 0.00 C ATOM 382 C ARG A 27 -0.607 6.869 -9.883 1.00 0.00 C ATOM 383 O ARG A 27 -0.776 6.077 -8.955 1.00 0.00 O ATOM 384 CB ARG A 27 1.388 7.277 -11.335 1.00 0.00 C ATOM 385 CG ARG A 27 2.253 8.390 -11.904 1.00 0.00 C ATOM 386 CD ARG A 27 1.409 9.478 -12.546 1.00 0.00 C ATOM 387 NE ARG A 27 2.184 10.689 -12.806 1.00 0.00 N ATOM 388 CZ ARG A 27 2.953 10.855 -13.876 1.00 0.00 C ATOM 389 NH1 ARG A 27 3.050 9.890 -14.781 1.00 0.00 N ATOM 390 NH2 ARG A 27 3.626 11.985 -14.043 1.00 0.00 N ATOM 0 H ARG A 27 1.890 6.411 -8.815 1.00 0.00 H new ATOM 0 HA ARG A 27 0.468 8.711 -10.027 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.006 6.394 -11.175 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.630 7.006 -12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.862 8.822 -11.109 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.940 7.977 -12.643 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.990 9.108 -13.482 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.569 9.718 -11.894 1.00 0.00 H new ATOM 0 HE ARG A 27 2.132 11.449 -12.128 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.534 9.019 -14.656 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.641 10.019 -15.602 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.554 12.729 -13.349 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.216 12.110 -14.866 1.00 0.00 H new ATOM 404 N LYS A 28 -1.529 7.099 -10.812 1.00 0.00 N ATOM 405 CA LYS A 28 -2.819 6.419 -10.797 1.00 0.00 C ATOM 406 C LYS A 28 -2.663 4.948 -11.167 1.00 0.00 C ATOM 407 O LYS A 28 -1.871 4.599 -12.041 1.00 0.00 O ATOM 408 CB LYS A 28 -3.789 7.101 -11.765 1.00 0.00 C ATOM 409 CG LYS A 28 -5.216 6.595 -11.652 1.00 0.00 C ATOM 410 CD LYS A 28 -6.149 7.343 -12.588 1.00 0.00 C ATOM 411 CE LYS A 28 -7.562 7.414 -12.030 1.00 0.00 C ATOM 412 NZ LYS A 28 -8.223 6.080 -12.021 1.00 0.00 N ATOM 0 H LYS A 28 -1.406 7.752 -11.586 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.222 6.479 -9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.778 8.175 -11.581 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.438 6.949 -12.786 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.245 5.530 -11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.563 6.708 -10.625 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.770 8.352 -12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.165 6.848 -13.559 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.532 7.811 -11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.154 8.108 -12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.184 6.171 -11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.275 5.712 -12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.673 5.424 -11.431 1.00 0.00 H new ATOM 426 N ASN A 29 -3.427 4.090 -10.497 1.00 0.00 N ATOM 427 CA ASN A 29 -3.375 2.657 -10.759 1.00 0.00 C ATOM 428 C ASN A 29 -1.975 2.108 -10.504 1.00 0.00 C ATOM 429 O ASN A 29 -1.467 1.290 -11.272 1.00 0.00 O ATOM 430 CB ASN A 29 -3.796 2.363 -12.200 1.00 0.00 C ATOM 431 CG ASN A 29 -5.257 2.676 -12.452 1.00 0.00 C ATOM 432 OD1 ASN A 29 -6.146 2.053 -11.870 1.00 0.00 O ATOM 433 ND2 ASN A 29 -5.513 3.647 -13.321 1.00 0.00 N ATOM 0 H ASN A 29 -4.088 4.363 -9.770 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.069 2.164 -10.078 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.179 2.948 -12.882 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.609 1.313 -12.423 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.478 3.903 -13.530 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.745 4.136 -13.780 1.00 0.00 H new ATOM 440 N ASP A 30 -1.356 2.562 -9.420 1.00 0.00 N ATOM 441 CA ASP A 30 -0.013 2.116 -9.063 1.00 0.00 C ATOM 442 C ASP A 30 -0.028 1.356 -7.739 1.00 0.00 C ATOM 443 O ASP A 30 -0.788 1.690 -6.829 1.00 0.00 O ATOM 444 CB ASP A 30 0.936 3.311 -8.966 1.00 0.00 C ATOM 445 CG ASP A 30 1.246 3.913 -10.323 1.00 0.00 C ATOM 446 OD1 ASP A 30 0.293 4.263 -11.051 1.00 0.00 O ATOM 447 OD2 ASP A 30 2.444 4.035 -10.657 1.00 0.00 O ATOM 0 H ASP A 30 -1.762 3.238 -8.773 1.00 0.00 H new ATOM 0 HA ASP A 30 0.340 1.444 -9.845 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.492 4.073 -8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.865 2.997 -8.490 1.00 0.00 H new ATOM 452 N ILE A 31 0.813 0.333 -7.642 1.00 0.00 N ATOM 453 CA ILE A 31 0.896 -0.474 -6.431 1.00 0.00 C ATOM 454 C ILE A 31 2.022 0.011 -5.523 1.00 0.00 C ATOM 455 O ILE A 31 3.178 0.095 -5.940 1.00 0.00 O ATOM 456 CB ILE A 31 1.123 -1.962 -6.759 1.00 0.00 C ATOM 457 CG1 ILE A 31 0.009 -2.480 -7.673 1.00 0.00 C ATOM 458 CG2 ILE A 31 1.192 -2.783 -5.480 1.00 0.00 C ATOM 459 CD1 ILE A 31 -1.367 -2.399 -7.051 1.00 0.00 C ATOM 0 H ILE A 31 1.447 0.043 -8.387 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.058 -0.365 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 31 2.074 -2.063 -7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.014 -1.907 -8.600 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.219 -3.516 -7.938 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.353 -3.832 -5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.016 -2.426 -4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.256 -2.680 -4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.107 -2.782 -7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.390 -2.995 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.598 -1.361 -6.812 1.00 0.00 H new ATOM 471 N ILE A 32 1.677 0.328 -4.280 1.00 0.00 N ATOM 472 CA ILE A 32 2.658 0.801 -3.312 1.00 0.00 C ATOM 473 C ILE A 32 2.689 -0.094 -2.077 1.00 0.00 C ATOM 474 O ILE A 32 1.663 -0.324 -1.437 1.00 0.00 O ATOM 475 CB ILE A 32 2.365 2.249 -2.875 1.00 0.00 C ATOM 476 CG1 ILE A 32 2.339 3.177 -4.092 1.00 0.00 C ATOM 477 CG2 ILE A 32 3.403 2.719 -1.867 1.00 0.00 C ATOM 478 CD1 ILE A 32 1.514 4.427 -3.880 1.00 0.00 C ATOM 0 H ILE A 32 0.725 0.266 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 32 3.629 0.768 -3.806 1.00 0.00 H new ATOM 0 HB ILE A 32 1.385 2.277 -2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.360 3.463 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.942 2.630 -4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.182 3.744 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.378 2.072 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.394 2.679 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.540 5.038 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.483 4.150 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.923 4.996 -3.045 1.00 0.00 H new ATOM 490 N THR A 33 3.876 -0.596 -1.748 1.00 0.00 N ATOM 491 CA THR A 33 4.042 -1.465 -0.590 1.00 0.00 C ATOM 492 C THR A 33 3.954 -0.673 0.710 1.00 0.00 C ATOM 493 O THR A 33 4.580 0.378 0.850 1.00 0.00 O ATOM 494 CB THR A 33 5.390 -2.208 -0.634 1.00 0.00 C ATOM 495 OG1 THR A 33 5.424 -3.095 -1.758 1.00 0.00 O ATOM 496 CG2 THR A 33 5.617 -2.996 0.646 1.00 0.00 C ATOM 0 H THR A 33 4.735 -0.415 -2.267 1.00 0.00 H new ATOM 0 HA THR A 33 3.232 -2.194 -0.624 1.00 0.00 H new ATOM 0 HB THR A 33 6.184 -1.467 -0.731 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.285 -3.562 -1.780 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.576 -3.512 0.591 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.620 -2.315 1.497 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.818 -3.727 0.770 1.00 0.00 H new ATOM 504 N ILE A 34 3.175 -1.184 1.657 1.00 0.00 N ATOM 505 CA ILE A 34 3.008 -0.523 2.946 1.00 0.00 C ATOM 506 C ILE A 34 3.983 -1.079 3.978 1.00 0.00 C ATOM 507 O ILE A 34 3.862 -2.228 4.405 1.00 0.00 O ATOM 508 CB ILE A 34 1.570 -0.681 3.475 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.562 -0.194 2.433 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.400 0.083 4.780 1.00 0.00 C ATOM 511 CD1 ILE A 34 -0.878 -0.315 2.881 1.00 0.00 C ATOM 0 H ILE A 34 2.650 -2.053 1.557 1.00 0.00 H new ATOM 0 HA ILE A 34 3.215 0.536 2.789 1.00 0.00 H new ATOM 0 HB ILE A 34 1.384 -1.738 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.773 0.848 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.697 -0.765 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.379 -0.038 5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.097 -0.306 5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.602 1.141 4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.536 0.049 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.107 -1.360 3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.030 0.279 3.783 1.00 0.00 H new ATOM 523 N ILE A 35 4.945 -0.256 4.377 1.00 0.00 N ATOM 524 CA ILE A 35 5.939 -0.665 5.364 1.00 0.00 C ATOM 525 C ILE A 35 5.417 -0.469 6.782 1.00 0.00 C ATOM 526 O ILE A 35 5.222 -1.434 7.522 1.00 0.00 O ATOM 527 CB ILE A 35 7.253 0.122 5.198 1.00 0.00 C ATOM 528 CG1 ILE A 35 7.771 -0.005 3.764 1.00 0.00 C ATOM 529 CG2 ILE A 35 8.295 -0.372 6.190 1.00 0.00 C ATOM 530 CD1 ILE A 35 8.341 -1.369 3.447 1.00 0.00 C ATOM 0 H ILE A 35 5.059 0.698 4.033 1.00 0.00 H new ATOM 0 HA ILE A 35 6.136 -1.724 5.195 1.00 0.00 H new ATOM 0 HB ILE A 35 7.057 1.175 5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.957 0.210 3.072 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.540 0.749 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.218 0.194 6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.924 -0.234 7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.491 -1.430 6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.689 -1.387 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.176 -1.578 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.569 -2.126 3.583 1.00 0.00 H new ATOM 542 N SER A 36 5.192 0.786 7.157 1.00 0.00 N ATOM 543 CA SER A 36 4.695 1.111 8.489 1.00 0.00 C ATOM 544 C SER A 36 3.409 1.927 8.406 1.00 0.00 C ATOM 545 O SER A 36 3.173 2.632 7.426 1.00 0.00 O ATOM 546 CB SER A 36 5.754 1.883 9.279 1.00 0.00 C ATOM 547 OG SER A 36 5.642 1.626 10.667 1.00 0.00 O ATOM 0 H SER A 36 5.346 1.596 6.556 1.00 0.00 H new ATOM 0 HA SER A 36 4.478 0.176 9.006 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.748 1.601 8.933 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.643 2.951 9.094 1.00 0.00 H new ATOM 0 HG SER A 36 6.331 2.129 11.150 1.00 0.00 H new ATOM 553 N GLN A 37 2.583 1.826 9.441 1.00 0.00 N ATOM 554 CA GLN A 37 1.321 2.555 9.486 1.00 0.00 C ATOM 555 C GLN A 37 1.343 3.616 10.581 1.00 0.00 C ATOM 556 O GLN A 37 0.798 3.415 11.667 1.00 0.00 O ATOM 557 CB GLN A 37 0.158 1.590 9.718 1.00 0.00 C ATOM 558 CG GLN A 37 -0.096 0.651 8.550 1.00 0.00 C ATOM 559 CD GLN A 37 -1.411 -0.094 8.674 1.00 0.00 C ATOM 560 OE1 GLN A 37 -1.838 -0.444 9.775 1.00 0.00 O ATOM 561 NE2 GLN A 37 -2.062 -0.340 7.543 1.00 0.00 N ATOM 0 H GLN A 37 2.765 1.246 10.260 1.00 0.00 H new ATOM 0 HA GLN A 37 1.185 3.053 8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.360 0.999 10.611 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.747 2.165 9.914 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.093 1.223 7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.720 -0.069 8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.672 -0.032 6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.952 -0.837 7.565 1.00 0.00 H new ATOM 570 N LYS A 38 1.977 4.747 10.291 1.00 0.00 N ATOM 571 CA LYS A 38 2.070 5.842 11.249 1.00 0.00 C ATOM 572 C LYS A 38 0.761 6.006 12.015 1.00 0.00 C ATOM 573 O LYS A 38 0.759 6.112 13.242 1.00 0.00 O ATOM 574 CB LYS A 38 2.421 7.146 10.532 1.00 0.00 C ATOM 575 CG LYS A 38 3.188 8.130 11.400 1.00 0.00 C ATOM 576 CD LYS A 38 4.665 7.780 11.466 1.00 0.00 C ATOM 577 CE LYS A 38 5.439 8.790 12.301 1.00 0.00 C ATOM 578 NZ LYS A 38 6.910 8.641 12.127 1.00 0.00 N ATOM 0 H LYS A 38 2.435 4.929 9.398 1.00 0.00 H new ATOM 0 HA LYS A 38 2.860 5.603 11.961 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.014 6.916 9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.502 7.619 10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.069 9.138 11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.768 8.133 12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.786 6.784 11.893 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.078 7.747 10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.140 9.800 12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.183 8.664 13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.402 9.346 12.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.199 7.686 12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.158 8.786 11.127 1.00 0.00 H new ATOM 592 N ASP A 39 -0.348 6.026 11.286 1.00 0.00 N ATOM 593 CA ASP A 39 -1.664 6.175 11.896 1.00 0.00 C ATOM 594 C ASP A 39 -2.768 5.851 10.895 1.00 0.00 C ATOM 595 O ASP A 39 -2.529 5.796 9.689 1.00 0.00 O ATOM 596 CB ASP A 39 -1.843 7.597 12.432 1.00 0.00 C ATOM 597 CG ASP A 39 -1.063 7.837 13.708 1.00 0.00 C ATOM 598 OD1 ASP A 39 -1.320 7.129 14.704 1.00 0.00 O ATOM 599 OD2 ASP A 39 -0.194 8.734 13.712 1.00 0.00 O ATOM 0 H ASP A 39 -0.362 5.941 10.270 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.735 5.471 12.725 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.522 8.311 11.674 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.901 7.782 12.616 1.00 0.00 H new ATOM 604 N GLU A 40 -3.978 5.636 11.404 1.00 0.00 N ATOM 605 CA GLU A 40 -5.118 5.316 10.554 1.00 0.00 C ATOM 606 C GLU A 40 -5.284 6.359 9.452 1.00 0.00 C ATOM 607 O GLU A 40 -5.995 6.134 8.471 1.00 0.00 O ATOM 608 CB GLU A 40 -6.397 5.231 11.389 1.00 0.00 C ATOM 609 CG GLU A 40 -7.459 4.328 10.785 1.00 0.00 C ATOM 610 CD GLU A 40 -8.599 4.044 11.746 1.00 0.00 C ATOM 611 OE1 GLU A 40 -8.782 4.833 12.696 1.00 0.00 O ATOM 612 OE2 GLU A 40 -9.306 3.035 11.547 1.00 0.00 O ATOM 0 H GLU A 40 -4.193 5.678 12.400 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.932 4.348 10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.147 4.867 12.386 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.809 6.233 11.510 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.856 4.794 9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.001 3.386 10.482 1.00 0.00 H new ATOM 619 N HIS A 41 -4.624 7.500 9.622 1.00 0.00 N ATOM 620 CA HIS A 41 -4.698 8.578 8.642 1.00 0.00 C ATOM 621 C HIS A 41 -3.456 8.594 7.755 1.00 0.00 C ATOM 622 O HIS A 41 -3.555 8.518 6.530 1.00 0.00 O ATOM 623 CB HIS A 41 -4.853 9.927 9.346 1.00 0.00 C ATOM 624 CG HIS A 41 -6.107 10.037 10.159 1.00 0.00 C ATOM 625 ND1 HIS A 41 -6.986 11.093 10.045 1.00 0.00 N ATOM 626 CD2 HIS A 41 -6.627 9.216 11.100 1.00 0.00 C ATOM 627 CE1 HIS A 41 -7.993 10.917 10.882 1.00 0.00 C ATOM 628 NE2 HIS A 41 -7.799 9.784 11.534 1.00 0.00 N ATOM 0 H HIS A 41 -4.033 7.702 10.428 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.570 8.403 8.012 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -3.993 10.090 9.996 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -4.843 10.721 8.599 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.200 8.286 11.446 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -8.832 11.585 11.011 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -8.419 9.395 12.244 1.00 0.00 H new ATOM 637 N CYS A 42 -2.289 8.693 8.383 1.00 0.00 N ATOM 638 CA CYS A 42 -1.029 8.720 7.651 1.00 0.00 C ATOM 639 C CYS A 42 -0.373 7.343 7.645 1.00 0.00 C ATOM 640 O CYS A 42 -0.213 6.715 8.692 1.00 0.00 O ATOM 641 CB CYS A 42 -0.078 9.746 8.269 1.00 0.00 C ATOM 642 SG CYS A 42 -0.040 9.723 10.076 1.00 0.00 S ATOM 0 H CYS A 42 -2.190 8.756 9.396 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.243 9.006 6.621 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.929 9.565 7.893 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.369 10.742 7.935 1.00 0.00 H new ATOM 0 HG CYS A 42 0.794 10.624 10.504 1.00 0.00 H new ATOM 648 N TRP A 43 0.001 6.876 6.458 1.00 0.00 N ATOM 649 CA TRP A 43 0.637 5.572 6.316 1.00 0.00 C ATOM 650 C TRP A 43 2.021 5.706 5.691 1.00 0.00 C ATOM 651 O TRP A 43 2.350 6.738 5.106 1.00 0.00 O ATOM 652 CB TRP A 43 -0.234 4.647 5.464 1.00 0.00 C ATOM 653 CG TRP A 43 -1.501 4.230 6.146 1.00 0.00 C ATOM 654 CD1 TRP A 43 -1.797 4.352 7.475 1.00 0.00 C ATOM 655 CD2 TRP A 43 -2.644 3.621 5.535 1.00 0.00 C ATOM 656 NE1 TRP A 43 -3.052 3.855 7.725 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.593 3.401 6.552 1.00 0.00 C ATOM 658 CE3 TRP A 43 -2.957 3.239 4.227 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -4.832 2.818 6.298 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -4.187 2.660 3.979 1.00 0.00 C ATOM 661 CH2 TRP A 43 -5.113 2.456 5.010 1.00 0.00 C ATOM 0 H TRP A 43 -0.126 7.381 5.581 1.00 0.00 H new ATOM 0 HA TRP A 43 0.749 5.140 7.310 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.482 5.151 4.530 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.340 3.758 5.204 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.140 4.777 8.219 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.508 3.828 8.637 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.250 3.394 3.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.547 2.657 7.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.439 2.360 2.973 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.067 2.004 4.783 1.00 0.00 H new ATOM 672 N VAL A 44 2.826 4.655 5.816 1.00 0.00 N ATOM 673 CA VAL A 44 4.175 4.657 5.261 1.00 0.00 C ATOM 674 C VAL A 44 4.377 3.488 4.305 1.00 0.00 C ATOM 675 O VAL A 44 4.288 2.326 4.701 1.00 0.00 O ATOM 676 CB VAL A 44 5.239 4.586 6.373 1.00 0.00 C ATOM 677 CG1 VAL A 44 6.633 4.484 5.773 1.00 0.00 C ATOM 678 CG2 VAL A 44 5.133 5.794 7.290 1.00 0.00 C ATOM 0 H VAL A 44 2.568 3.793 6.296 1.00 0.00 H new ATOM 0 HA VAL A 44 4.292 5.593 4.715 1.00 0.00 H new ATOM 0 HB VAL A 44 5.058 3.690 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.371 4.435 6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.701 3.584 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.827 5.360 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.892 5.727 8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.287 6.705 6.711 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.144 5.818 7.748 1.00 0.00 H new ATOM 688 N GLY A 45 4.649 3.803 3.042 1.00 0.00 N ATOM 689 CA GLY A 45 4.859 2.767 2.048 1.00 0.00 C ATOM 690 C GLY A 45 6.239 2.834 1.424 1.00 0.00 C ATOM 691 O GLY A 45 7.123 3.523 1.932 1.00 0.00 O ATOM 0 H GLY A 45 4.728 4.757 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.720 1.790 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.105 2.860 1.266 1.00 0.00 H new ATOM 695 N GLU A 46 6.423 2.114 0.321 1.00 0.00 N ATOM 696 CA GLU A 46 7.707 2.093 -0.370 1.00 0.00 C ATOM 697 C GLU A 46 7.510 1.971 -1.878 1.00 0.00 C ATOM 698 O GLU A 46 6.849 1.048 -2.357 1.00 0.00 O ATOM 699 CB GLU A 46 8.567 0.936 0.139 1.00 0.00 C ATOM 700 CG GLU A 46 10.059 1.169 -0.021 1.00 0.00 C ATOM 701 CD GLU A 46 10.884 0.378 0.975 1.00 0.00 C ATOM 702 OE1 GLU A 46 10.481 0.305 2.154 1.00 0.00 O ATOM 703 OE2 GLU A 46 11.934 -0.167 0.575 1.00 0.00 O ATOM 0 H GLU A 46 5.701 1.539 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 46 8.218 3.033 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.346 0.766 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.291 0.027 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.359 0.896 -1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.272 2.231 0.099 1.00 0.00 H new ATOM 710 N LEU A 47 8.089 2.906 -2.623 1.00 0.00 N ATOM 711 CA LEU A 47 7.978 2.903 -4.078 1.00 0.00 C ATOM 712 C LEU A 47 9.133 3.672 -4.712 1.00 0.00 C ATOM 713 O LEU A 47 9.635 4.640 -4.142 1.00 0.00 O ATOM 714 CB LEU A 47 6.645 3.515 -4.508 1.00 0.00 C ATOM 715 CG LEU A 47 6.176 3.176 -5.923 1.00 0.00 C ATOM 716 CD1 LEU A 47 5.359 1.893 -5.921 1.00 0.00 C ATOM 717 CD2 LEU A 47 5.366 4.325 -6.508 1.00 0.00 C ATOM 0 H LEU A 47 8.640 3.676 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 47 8.022 1.869 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.877 3.193 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.721 4.599 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 47 7.055 3.023 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.034 1.667 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.971 1.073 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.486 2.018 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.041 4.065 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.493 4.511 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.983 5.223 -6.546 1.00 0.00 H new ATOM 729 N ASN A 48 9.546 3.236 -5.899 1.00 0.00 N ATOM 730 CA ASN A 48 10.638 3.886 -6.613 1.00 0.00 C ATOM 731 C ASN A 48 11.834 4.109 -5.691 1.00 0.00 C ATOM 732 O ASN A 48 12.552 5.099 -5.817 1.00 0.00 O ATOM 733 CB ASN A 48 10.173 5.222 -7.195 1.00 0.00 C ATOM 734 CG ASN A 48 9.460 5.056 -8.524 1.00 0.00 C ATOM 735 OD1 ASN A 48 10.033 5.307 -9.584 1.00 0.00 O ATOM 736 ND2 ASN A 48 8.203 4.633 -8.471 1.00 0.00 N ATOM 0 H ASN A 48 9.141 2.436 -6.385 1.00 0.00 H new ATOM 0 HA ASN A 48 10.946 3.231 -7.428 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.505 5.712 -6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.034 5.877 -7.327 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.672 4.504 -9.332 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.768 4.437 -7.569 1.00 0.00 H new ATOM 743 N GLY A 49 12.042 3.178 -4.763 1.00 0.00 N ATOM 744 CA GLY A 49 13.151 3.291 -3.834 1.00 0.00 C ATOM 745 C GLY A 49 12.971 4.434 -2.854 1.00 0.00 C ATOM 746 O GLY A 49 13.948 5.041 -2.411 1.00 0.00 O ATOM 0 H GLY A 49 11.462 2.348 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.256 2.357 -3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 49 14.076 3.437 -4.392 1.00 0.00 H new ATOM 750 N LEU A 50 11.722 4.730 -2.516 1.00 0.00 N ATOM 751 CA LEU A 50 11.418 5.809 -1.582 1.00 0.00 C ATOM 752 C LEU A 50 10.455 5.337 -0.497 1.00 0.00 C ATOM 753 O LEU A 50 9.402 4.769 -0.792 1.00 0.00 O ATOM 754 CB LEU A 50 10.817 7.001 -2.329 1.00 0.00 C ATOM 755 CG LEU A 50 11.529 7.414 -3.617 1.00 0.00 C ATOM 756 CD1 LEU A 50 10.762 8.524 -4.319 1.00 0.00 C ATOM 757 CD2 LEU A 50 12.956 7.854 -3.321 1.00 0.00 C ATOM 0 H LEU A 50 10.903 4.239 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 50 12.349 6.117 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.780 6.768 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.803 7.857 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 50 11.567 6.550 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.284 8.805 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.760 8.174 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.692 9.390 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.447 8.144 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.941 8.703 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.503 7.030 -2.863 1.00 0.00 H new ATOM 769 N ARG A 51 10.821 5.575 0.757 1.00 0.00 N ATOM 770 CA ARG A 51 9.990 5.175 1.886 1.00 0.00 C ATOM 771 C ARG A 51 9.628 6.380 2.749 1.00 0.00 C ATOM 772 O ARG A 51 10.467 6.910 3.475 1.00 0.00 O ATOM 773 CB ARG A 51 10.712 4.125 2.732 1.00 0.00 C ATOM 774 CG ARG A 51 9.773 3.156 3.433 1.00 0.00 C ATOM 775 CD ARG A 51 10.435 2.517 4.644 1.00 0.00 C ATOM 776 NE ARG A 51 11.435 1.524 4.261 1.00 0.00 N ATOM 777 CZ ARG A 51 12.280 0.965 5.119 1.00 0.00 C ATOM 778 NH1 ARG A 51 12.247 1.301 6.401 1.00 0.00 N ATOM 779 NH2 ARG A 51 13.162 0.069 4.696 1.00 0.00 N ATOM 0 H ARG A 51 11.689 6.043 1.018 1.00 0.00 H new ATOM 0 HA ARG A 51 9.070 4.743 1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.392 3.561 2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.323 4.631 3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.871 3.683 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.462 2.379 2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.906 3.291 5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.674 2.044 5.266 1.00 0.00 H new ATOM 0 HE ARG A 51 11.487 1.245 3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.571 1.990 6.730 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.897 0.870 7.058 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.192 -0.191 3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.810 -0.359 5.356 1.00 0.00 H new ATOM 793 N GLY A 52 8.371 6.807 2.664 1.00 0.00 N ATOM 794 CA GLY A 52 7.921 7.946 3.442 1.00 0.00 C ATOM 795 C GLY A 52 6.453 7.855 3.806 1.00 0.00 C ATOM 796 O GLY A 52 5.838 6.796 3.674 1.00 0.00 O ATOM 0 H GLY A 52 7.657 6.384 2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.515 8.017 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.096 8.861 2.876 1.00 0.00 H new ATOM 800 N TRP A 53 5.890 8.966 4.270 1.00 0.00 N ATOM 801 CA TRP A 53 4.484 9.005 4.658 1.00 0.00 C ATOM 802 C TRP A 53 3.617 9.511 3.509 1.00 0.00 C ATOM 803 O TRP A 53 4.119 10.100 2.552 1.00 0.00 O ATOM 804 CB TRP A 53 4.297 9.897 5.885 1.00 0.00 C ATOM 805 CG TRP A 53 4.354 11.360 5.572 1.00 0.00 C ATOM 806 CD1 TRP A 53 5.440 12.064 5.135 1.00 0.00 C ATOM 807 CD2 TRP A 53 3.279 12.300 5.669 1.00 0.00 C ATOM 808 NE1 TRP A 53 5.105 13.385 4.956 1.00 0.00 N ATOM 809 CE2 TRP A 53 3.786 13.555 5.277 1.00 0.00 C ATOM 810 CE3 TRP A 53 1.938 12.205 6.049 1.00 0.00 C ATOM 811 CZ2 TRP A 53 2.996 14.702 5.255 1.00 0.00 C ATOM 812 CZ3 TRP A 53 1.155 13.343 6.027 1.00 0.00 C ATOM 813 CH2 TRP A 53 1.686 14.579 5.632 1.00 0.00 C ATOM 0 H TRP A 53 6.385 9.850 4.386 1.00 0.00 H new ATOM 0 HA TRP A 53 4.172 7.990 4.905 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.337 9.669 6.347 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.068 9.660 6.618 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.419 11.644 4.956 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.737 14.119 4.636 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.520 11.257 6.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.403 15.655 4.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.117 13.279 6.319 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.049 15.451 5.625 1.00 0.00 H new ATOM 824 N PHE A 54 2.312 9.279 3.612 1.00 0.00 N ATOM 825 CA PHE A 54 1.376 9.712 2.582 1.00 0.00 C ATOM 826 C PHE A 54 -0.066 9.508 3.036 1.00 0.00 C ATOM 827 O PHE A 54 -0.368 8.638 3.853 1.00 0.00 O ATOM 828 CB PHE A 54 1.625 8.945 1.281 1.00 0.00 C ATOM 829 CG PHE A 54 1.358 7.471 1.394 1.00 0.00 C ATOM 830 CD1 PHE A 54 0.061 6.995 1.494 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.404 6.562 1.400 1.00 0.00 C ATOM 832 CE1 PHE A 54 -0.189 5.639 1.599 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.160 5.204 1.502 1.00 0.00 C ATOM 834 CZ PHE A 54 0.862 4.742 1.603 1.00 0.00 C ATOM 0 H PHE A 54 1.880 8.794 4.398 1.00 0.00 H new ATOM 0 HA PHE A 54 1.536 10.776 2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.993 9.362 0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.659 9.096 0.972 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.765 7.691 1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.421 6.918 1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.205 5.281 1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.984 4.506 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.669 3.682 1.685 1.00 0.00 H new ATOM 844 N PRO A 55 -0.978 10.329 2.497 1.00 0.00 N ATOM 845 CA PRO A 55 -2.403 10.261 2.833 1.00 0.00 C ATOM 846 C PRO A 55 -3.068 9.003 2.282 1.00 0.00 C ATOM 847 O PRO A 55 -3.226 8.853 1.071 1.00 0.00 O ATOM 848 CB PRO A 55 -2.987 11.509 2.167 1.00 0.00 C ATOM 849 CG PRO A 55 -2.052 11.810 1.045 1.00 0.00 C ATOM 850 CD PRO A 55 -0.688 11.390 1.518 1.00 0.00 C ATOM 0 HA PRO A 55 -2.566 10.222 3.910 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.998 11.327 1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.046 12.342 2.868 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.337 11.267 0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.069 12.871 0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.074 11.022 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.147 12.220 1.973 1.00 0.00 H new ATOM 858 N ALA A 56 -3.455 8.103 3.180 1.00 0.00 N ATOM 859 CA ALA A 56 -4.104 6.860 2.783 1.00 0.00 C ATOM 860 C ALA A 56 -5.335 7.132 1.926 1.00 0.00 C ATOM 861 O ALA A 56 -5.569 6.457 0.923 1.00 0.00 O ATOM 862 CB ALA A 56 -4.485 6.047 4.013 1.00 0.00 C ATOM 0 H ALA A 56 -3.330 8.212 4.187 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.397 6.285 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.969 5.121 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.588 5.813 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.171 6.624 4.633 1.00 0.00 H new ATOM 868 N LYS A 57 -6.120 8.126 2.327 1.00 0.00 N ATOM 869 CA LYS A 57 -7.329 8.490 1.595 1.00 0.00 C ATOM 870 C LYS A 57 -7.068 8.513 0.093 1.00 0.00 C ATOM 871 O LYS A 57 -7.930 8.132 -0.701 1.00 0.00 O ATOM 872 CB LYS A 57 -7.837 9.858 2.057 1.00 0.00 C ATOM 873 CG LYS A 57 -6.840 10.982 1.835 1.00 0.00 C ATOM 874 CD LYS A 57 -7.147 12.181 2.718 1.00 0.00 C ATOM 875 CE LYS A 57 -8.126 13.131 2.047 1.00 0.00 C ATOM 876 NZ LYS A 57 -8.735 14.080 3.021 1.00 0.00 N ATOM 0 H LYS A 57 -5.941 8.694 3.155 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.090 7.738 1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.760 10.092 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.083 9.806 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.832 10.623 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.859 11.285 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.562 11.839 3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.223 12.711 2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.611 13.692 1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.913 12.556 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.396 14.711 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.248 13.546 3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.986 14.647 3.468 1.00 0.00 H new ATOM 890 N PHE A 58 -5.877 8.958 -0.290 1.00 0.00 N ATOM 891 CA PHE A 58 -5.504 9.030 -1.698 1.00 0.00 C ATOM 892 C PHE A 58 -5.434 7.635 -2.314 1.00 0.00 C ATOM 893 O PHE A 58 -5.782 7.440 -3.478 1.00 0.00 O ATOM 894 CB PHE A 58 -4.157 9.737 -1.855 1.00 0.00 C ATOM 895 CG PHE A 58 -4.270 11.233 -1.927 1.00 0.00 C ATOM 896 CD1 PHE A 58 -4.715 11.961 -0.834 1.00 0.00 C ATOM 897 CD2 PHE A 58 -3.931 11.911 -3.086 1.00 0.00 C ATOM 898 CE1 PHE A 58 -4.821 13.337 -0.899 1.00 0.00 C ATOM 899 CE2 PHE A 58 -4.034 13.289 -3.155 1.00 0.00 C ATOM 900 CZ PHE A 58 -4.479 14.002 -2.060 1.00 0.00 C ATOM 0 H PHE A 58 -5.153 9.275 0.355 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.270 9.602 -2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.515 9.469 -1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.668 9.374 -2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.982 11.447 0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.582 11.358 -3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.171 13.893 -0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.767 13.806 -4.065 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.560 15.078 -2.111 1.00 0.00 H new ATOM 910 N VAL A 59 -4.979 6.668 -1.522 1.00 0.00 N ATOM 911 CA VAL A 59 -4.863 5.291 -1.988 1.00 0.00 C ATOM 912 C VAL A 59 -5.926 4.403 -1.350 1.00 0.00 C ATOM 913 O VAL A 59 -6.685 4.849 -0.490 1.00 0.00 O ATOM 914 CB VAL A 59 -3.471 4.708 -1.678 1.00 0.00 C ATOM 915 CG1 VAL A 59 -2.378 5.620 -2.218 1.00 0.00 C ATOM 916 CG2 VAL A 59 -3.305 4.495 -0.180 1.00 0.00 C ATOM 0 H VAL A 59 -4.685 6.813 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.009 5.310 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.383 3.741 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.402 5.192 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.487 5.719 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.461 6.602 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.316 4.083 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.413 5.448 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.067 3.801 0.175 1.00 0.00 H new ATOM 926 N GLU A 60 -5.974 3.146 -1.777 1.00 0.00 N ATOM 927 CA GLU A 60 -6.945 2.196 -1.249 1.00 0.00 C ATOM 928 C GLU A 60 -6.267 0.890 -0.847 1.00 0.00 C ATOM 929 O GLU A 60 -5.538 0.288 -1.637 1.00 0.00 O ATOM 930 CB GLU A 60 -8.038 1.920 -2.283 1.00 0.00 C ATOM 931 CG GLU A 60 -9.043 0.870 -1.841 1.00 0.00 C ATOM 932 CD GLU A 60 -9.602 1.144 -0.458 1.00 0.00 C ATOM 933 OE1 GLU A 60 -9.739 2.333 -0.098 1.00 0.00 O ATOM 934 OE2 GLU A 60 -9.903 0.171 0.265 1.00 0.00 O ATOM 0 H GLU A 60 -5.351 2.762 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.399 2.637 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.566 2.849 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.572 1.596 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.862 0.831 -2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.566 -0.110 -1.849 1.00 0.00 H new ATOM 941 N VAL A 61 -6.509 0.457 0.386 1.00 0.00 N ATOM 942 CA VAL A 61 -5.923 -0.778 0.892 1.00 0.00 C ATOM 943 C VAL A 61 -6.371 -1.978 0.066 1.00 0.00 C ATOM 944 O VAL A 61 -7.393 -1.928 -0.620 1.00 0.00 O ATOM 945 CB VAL A 61 -6.298 -1.015 2.366 1.00 0.00 C ATOM 946 CG1 VAL A 61 -5.792 -2.370 2.837 1.00 0.00 C ATOM 947 CG2 VAL A 61 -5.748 0.102 3.242 1.00 0.00 C ATOM 0 H VAL A 61 -7.107 0.944 1.053 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.841 -0.670 0.813 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.385 -1.011 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.067 -2.518 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.239 -3.157 2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.707 -2.407 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.022 -0.082 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.662 0.132 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.165 1.056 2.920 1.00 0.00 H new ATOM 957 N LEU A 62 -5.601 -3.058 0.137 1.00 0.00 N ATOM 958 CA LEU A 62 -5.918 -4.274 -0.604 1.00 0.00 C ATOM 959 C LEU A 62 -5.571 -5.517 0.212 1.00 0.00 C ATOM 960 O LEU A 62 -4.448 -5.658 0.696 1.00 0.00 O ATOM 961 CB LEU A 62 -5.162 -4.296 -1.935 1.00 0.00 C ATOM 962 CG LEU A 62 -4.859 -2.933 -2.556 1.00 0.00 C ATOM 963 CD1 LEU A 62 -3.633 -3.017 -3.453 1.00 0.00 C ATOM 964 CD2 LEU A 62 -6.062 -2.423 -3.338 1.00 0.00 C ATOM 0 H LEU A 62 -4.753 -3.117 0.700 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.990 -4.280 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.219 -4.823 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.743 -4.878 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.649 -2.227 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.432 -2.038 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.773 -3.337 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.815 -3.737 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.828 -1.451 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.304 -3.128 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.916 -2.324 -2.668 1.00 0.00 H new ATOM 976 N ASP A 63 -6.540 -6.412 0.356 1.00 0.00 N ATOM 977 CA ASP A 63 -6.336 -7.645 1.110 1.00 0.00 C ATOM 978 C ASP A 63 -6.400 -8.860 0.192 1.00 0.00 C ATOM 979 O ASP A 63 -7.455 -9.471 0.028 1.00 0.00 O ATOM 980 CB ASP A 63 -7.384 -7.769 2.217 1.00 0.00 C ATOM 981 CG ASP A 63 -7.002 -6.999 3.465 1.00 0.00 C ATOM 982 OD1 ASP A 63 -5.852 -7.151 3.927 1.00 0.00 O ATOM 983 OD2 ASP A 63 -7.854 -6.245 3.980 1.00 0.00 O ATOM 0 H ASP A 63 -7.475 -6.308 -0.039 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.345 -7.607 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.343 -7.405 1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.519 -8.821 2.470 1.00 0.00 H new ATOM 988 N GLU A 64 -5.263 -9.205 -0.407 1.00 0.00 N ATOM 989 CA GLU A 64 -5.191 -10.346 -1.310 1.00 0.00 C ATOM 990 C GLU A 64 -5.451 -11.650 -0.561 1.00 0.00 C ATOM 991 O GLU A 64 -5.589 -11.658 0.662 1.00 0.00 O ATOM 992 CB GLU A 64 -3.823 -10.400 -1.993 1.00 0.00 C ATOM 993 CG GLU A 64 -3.722 -9.516 -3.224 1.00 0.00 C ATOM 994 CD GLU A 64 -2.565 -9.900 -4.125 1.00 0.00 C ATOM 995 OE1 GLU A 64 -2.603 -11.009 -4.700 1.00 0.00 O ATOM 996 OE2 GLU A 64 -1.622 -9.092 -4.258 1.00 0.00 O ATOM 0 H GLU A 64 -4.380 -8.710 -0.282 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.963 -10.224 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.057 -10.101 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.609 -11.430 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.653 -9.577 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.606 -8.478 -2.913 1.00 0.00 H new ATOM 1003 N ARG A 65 -5.514 -12.751 -1.304 1.00 0.00 N ATOM 1004 CA ARG A 65 -5.757 -14.060 -0.710 1.00 0.00 C ATOM 1005 C ARG A 65 -6.985 -14.026 0.197 1.00 0.00 C ATOM 1006 O ARG A 65 -7.011 -14.672 1.245 1.00 0.00 O ATOM 1007 CB ARG A 65 -4.534 -14.519 0.084 1.00 0.00 C ATOM 1008 CG ARG A 65 -4.365 -16.028 0.125 1.00 0.00 C ATOM 1009 CD ARG A 65 -2.922 -16.420 0.401 1.00 0.00 C ATOM 1010 NE ARG A 65 -2.537 -16.154 1.784 1.00 0.00 N ATOM 1011 CZ ARG A 65 -1.276 -16.089 2.198 1.00 0.00 C ATOM 1012 NH1 ARG A 65 -0.284 -16.269 1.338 1.00 0.00 N ATOM 1013 NH2 ARG A 65 -1.006 -15.843 3.474 1.00 0.00 N ATOM 0 H ARG A 65 -5.400 -12.762 -2.318 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.943 -14.769 -1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.640 -14.074 -0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.612 -14.143 1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.011 -16.447 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.684 -16.457 -0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.787 -17.480 0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.262 -15.871 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.277 -16.010 2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.488 -16.458 0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.683 -16.219 1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.767 -15.704 4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.037 -15.793 3.790 1.00 0.00 H new ATOM 1027 N SER A 66 -7.997 -13.269 -0.213 1.00 0.00 N ATOM 1028 CA SER A 66 -9.225 -13.147 0.565 1.00 0.00 C ATOM 1029 C SER A 66 -10.429 -13.621 -0.244 1.00 0.00 C ATOM 1030 O SER A 66 -10.426 -13.568 -1.475 1.00 0.00 O ATOM 1031 CB SER A 66 -9.431 -11.698 1.008 1.00 0.00 C ATOM 1032 OG SER A 66 -8.766 -11.439 2.232 1.00 0.00 O ATOM 0 H SER A 66 -7.991 -12.731 -1.079 1.00 0.00 H new ATOM 0 HA SER A 66 -9.131 -13.779 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.058 -11.023 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.496 -11.497 1.120 1.00 0.00 H new ATOM 0 HG SER A 66 -8.912 -10.506 2.492 1.00 0.00 H new ATOM 1038 N LYS A 67 -11.458 -14.083 0.457 1.00 0.00 N ATOM 1039 CA LYS A 67 -12.671 -14.566 -0.192 1.00 0.00 C ATOM 1040 C LYS A 67 -13.361 -13.444 -0.960 1.00 0.00 C ATOM 1041 O LYS A 67 -13.515 -12.335 -0.450 1.00 0.00 O ATOM 1042 CB LYS A 67 -13.631 -15.154 0.845 1.00 0.00 C ATOM 1043 CG LYS A 67 -15.000 -15.495 0.282 1.00 0.00 C ATOM 1044 CD LYS A 67 -15.046 -16.920 -0.244 1.00 0.00 C ATOM 1045 CE LYS A 67 -14.650 -16.984 -1.712 1.00 0.00 C ATOM 1046 NZ LYS A 67 -14.662 -18.381 -2.229 1.00 0.00 N ATOM 0 H LYS A 67 -11.476 -14.133 1.476 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.388 -15.346 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.187 -16.055 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.750 -14.442 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.756 -15.368 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.247 -14.801 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.375 -17.548 0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.051 -17.323 -0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.335 -16.373 -2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.655 -16.558 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.387 -18.382 -3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.990 -18.958 -1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.618 -18.779 -2.132 1.00 0.00 H new ATOM 1060 N GLU A 68 -13.775 -13.739 -2.188 1.00 0.00 N ATOM 1061 CA GLU A 68 -14.448 -12.753 -3.026 1.00 0.00 C ATOM 1062 C GLU A 68 -15.296 -13.435 -4.095 1.00 0.00 C ATOM 1063 O GLU A 68 -15.083 -14.603 -4.420 1.00 0.00 O ATOM 1064 CB GLU A 68 -13.426 -11.827 -3.684 1.00 0.00 C ATOM 1065 CG GLU A 68 -13.981 -10.455 -4.032 1.00 0.00 C ATOM 1066 CD GLU A 68 -14.620 -9.766 -2.842 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -13.932 -9.600 -1.813 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -15.808 -9.393 -2.939 1.00 0.00 O ATOM 0 H GLU A 68 -13.656 -14.653 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 68 -15.105 -12.161 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.574 -11.706 -3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.052 -12.299 -4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.177 -9.830 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.719 -10.557 -4.828 1.00 0.00 H new ATOM 1075 N TYR A 69 -16.259 -12.698 -4.637 1.00 0.00 N ATOM 1076 CA TYR A 69 -17.142 -13.232 -5.668 1.00 0.00 C ATOM 1077 C TYR A 69 -17.034 -12.416 -6.952 1.00 0.00 C ATOM 1078 O TYR A 69 -17.793 -11.470 -7.165 1.00 0.00 O ATOM 1079 CB TYR A 69 -18.590 -13.242 -5.175 1.00 0.00 C ATOM 1080 CG TYR A 69 -18.732 -13.646 -3.725 1.00 0.00 C ATOM 1081 CD1 TYR A 69 -18.132 -14.803 -3.243 1.00 0.00 C ATOM 1082 CD2 TYR A 69 -19.468 -12.870 -2.837 1.00 0.00 C ATOM 1083 CE1 TYR A 69 -18.261 -15.176 -1.919 1.00 0.00 C ATOM 1084 CE2 TYR A 69 -19.600 -13.236 -1.511 1.00 0.00 C ATOM 1085 CZ TYR A 69 -18.995 -14.390 -1.058 1.00 0.00 C ATOM 1086 OH TYR A 69 -19.127 -14.757 0.263 1.00 0.00 O ATOM 0 H TYR A 69 -16.448 -11.729 -4.380 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.833 -14.255 -5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -19.018 -12.249 -5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -19.171 -13.927 -5.793 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -17.555 -15.421 -3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -19.944 -11.967 -3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -17.789 -16.079 -1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.174 -12.622 -0.833 1.00 0.00 H new ATOM 0 HH TYR A 69 -19.674 -14.094 0.734 1.00 0.00 H new ATOM 1096 N SER A 70 -16.088 -12.789 -7.808 1.00 0.00 N ATOM 1097 CA SER A 70 -15.879 -12.091 -9.070 1.00 0.00 C ATOM 1098 C SER A 70 -15.783 -13.079 -10.228 1.00 0.00 C ATOM 1099 O SER A 70 -15.809 -14.294 -10.025 1.00 0.00 O ATOM 1100 CB SER A 70 -14.607 -11.243 -9.003 1.00 0.00 C ATOM 1101 OG SER A 70 -14.689 -10.133 -9.881 1.00 0.00 O ATOM 0 H SER A 70 -15.454 -13.572 -7.650 1.00 0.00 H new ATOM 0 HA SER A 70 -16.735 -11.438 -9.242 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.452 -10.893 -7.982 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.744 -11.855 -9.264 1.00 0.00 H new ATOM 0 HG SER A 70 -13.865 -9.605 -9.819 1.00 0.00 H new ATOM 1107 N ILE A 71 -15.673 -12.551 -11.441 1.00 0.00 N ATOM 1108 CA ILE A 71 -15.574 -13.385 -12.632 1.00 0.00 C ATOM 1109 C ILE A 71 -14.360 -14.306 -12.558 1.00 0.00 C ATOM 1110 O ILE A 71 -13.266 -13.879 -12.192 1.00 0.00 O ATOM 1111 CB ILE A 71 -15.478 -12.532 -13.912 1.00 0.00 C ATOM 1112 CG1 ILE A 71 -16.675 -11.586 -14.011 1.00 0.00 C ATOM 1113 CG2 ILE A 71 -15.400 -13.427 -15.139 1.00 0.00 C ATOM 1114 CD1 ILE A 71 -16.375 -10.308 -14.761 1.00 0.00 C ATOM 0 H ILE A 71 -15.650 -11.548 -11.626 1.00 0.00 H new ATOM 0 HA ILE A 71 -16.483 -13.985 -12.673 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.569 -11.933 -13.865 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -17.497 -12.104 -14.506 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -17.015 -11.337 -13.006 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -15.333 -12.810 -16.035 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.518 -14.064 -15.069 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -16.293 -14.049 -15.193 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -17.269 -9.686 -14.792 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -15.575 -9.768 -14.255 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -16.064 -10.547 -15.778 1.00 0.00 H new ATOM 1126 N ALA A 72 -14.563 -15.572 -12.909 1.00 0.00 N ATOM 1127 CA ALA A 72 -13.486 -16.554 -12.885 1.00 0.00 C ATOM 1128 C ALA A 72 -12.359 -16.155 -13.831 1.00 0.00 C ATOM 1129 O ALA A 72 -12.551 -15.337 -14.731 1.00 0.00 O ATOM 1130 CB ALA A 72 -14.020 -17.931 -13.247 1.00 0.00 C ATOM 0 H ALA A 72 -15.464 -15.941 -13.213 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.081 -16.588 -11.874 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.205 -18.655 -13.225 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.785 -18.225 -12.529 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.453 -17.902 -14.247 1.00 0.00 H new ATOM 1136 N SER A 73 -11.182 -16.738 -13.624 1.00 0.00 N ATOM 1137 CA SER A 73 -10.023 -16.439 -14.456 1.00 0.00 C ATOM 1138 C SER A 73 -9.600 -17.666 -15.258 1.00 0.00 C ATOM 1139 O SER A 73 -9.451 -18.758 -14.710 1.00 0.00 O ATOM 1140 CB SER A 73 -8.858 -15.954 -13.591 1.00 0.00 C ATOM 1141 OG SER A 73 -8.212 -17.040 -12.951 1.00 0.00 O ATOM 0 H SER A 73 -11.006 -17.420 -12.887 1.00 0.00 H new ATOM 0 HA SER A 73 -10.301 -15.649 -15.153 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.141 -15.414 -14.210 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.225 -15.252 -12.842 1.00 0.00 H new ATOM 0 HG SER A 73 -7.470 -16.704 -12.406 1.00 0.00 H new ATOM 1147 N GLY A 74 -9.407 -17.476 -16.559 1.00 0.00 N ATOM 1148 CA GLY A 74 -9.003 -18.577 -17.416 1.00 0.00 C ATOM 1149 C GLY A 74 -7.735 -19.251 -16.934 1.00 0.00 C ATOM 1150 O GLY A 74 -7.149 -18.869 -15.922 1.00 0.00 O ATOM 0 H GLY A 74 -9.523 -16.581 -17.035 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.807 -19.312 -17.461 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.851 -18.207 -18.430 1.00 0.00 H new ATOM 1154 N PRO A 75 -7.291 -20.283 -17.670 1.00 0.00 N ATOM 1155 CA PRO A 75 -6.080 -21.035 -17.328 1.00 0.00 C ATOM 1156 C PRO A 75 -4.811 -20.216 -17.537 1.00 0.00 C ATOM 1157 O PRO A 75 -3.706 -20.690 -17.275 1.00 0.00 O ATOM 1158 CB PRO A 75 -6.116 -22.220 -18.296 1.00 0.00 C ATOM 1159 CG PRO A 75 -6.918 -21.739 -19.456 1.00 0.00 C ATOM 1160 CD PRO A 75 -7.939 -20.793 -18.889 1.00 0.00 C ATOM 0 HA PRO A 75 -6.062 -21.324 -16.277 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.111 -22.511 -18.603 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.574 -23.095 -17.834 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.284 -21.237 -20.187 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -7.400 -22.571 -19.969 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.173 -19.989 -19.587 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.876 -21.301 -18.663 1.00 0.00 H new ATOM 1168 N SER A 76 -4.978 -18.984 -18.008 1.00 0.00 N ATOM 1169 CA SER A 76 -3.845 -18.101 -18.254 1.00 0.00 C ATOM 1170 C SER A 76 -2.748 -18.323 -17.219 1.00 0.00 C ATOM 1171 O SER A 76 -1.571 -18.433 -17.560 1.00 0.00 O ATOM 1172 CB SER A 76 -4.297 -16.638 -18.229 1.00 0.00 C ATOM 1173 OG SER A 76 -5.149 -16.349 -19.325 1.00 0.00 O ATOM 0 H SER A 76 -5.887 -18.575 -18.227 1.00 0.00 H new ATOM 0 HA SER A 76 -3.442 -18.334 -19.240 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.818 -16.431 -17.294 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.425 -15.984 -18.259 1.00 0.00 H new ATOM 0 HG SER A 76 -5.425 -15.410 -19.286 1.00 0.00 H new ATOM 1179 N SER A 77 -3.142 -18.388 -15.952 1.00 0.00 N ATOM 1180 CA SER A 77 -2.193 -18.594 -14.864 1.00 0.00 C ATOM 1181 C SER A 77 -1.997 -20.081 -14.590 1.00 0.00 C ATOM 1182 O SER A 77 -2.881 -20.896 -14.851 1.00 0.00 O ATOM 1183 CB SER A 77 -2.677 -17.889 -13.596 1.00 0.00 C ATOM 1184 OG SER A 77 -2.491 -16.488 -13.688 1.00 0.00 O ATOM 0 H SER A 77 -4.113 -18.301 -15.653 1.00 0.00 H new ATOM 0 HA SER A 77 -1.236 -18.168 -15.164 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.732 -18.109 -13.434 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.135 -18.275 -12.732 1.00 0.00 H new ATOM 0 HG SER A 77 -2.810 -16.061 -12.866 1.00 0.00 H new ATOM 1190 N GLY A 78 -0.828 -20.430 -14.057 1.00 0.00 N ATOM 1191 CA GLY A 78 -0.534 -21.817 -13.755 1.00 0.00 C ATOM 1192 C GLY A 78 -0.671 -22.716 -14.969 1.00 0.00 C ATOM 1193 O GLY A 78 -1.563 -23.563 -15.025 1.00 0.00 O ATOM 0 H GLY A 78 -0.080 -19.775 -13.830 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.480 -21.893 -13.363 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.206 -22.165 -12.971 1.00 0.00 H new TER 1197 GLY A 78