USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 39 HIS HD1 : B 39 HIS ND1 : B 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -85:sc= 0.642 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : +bothHN:sc= 0.176 K(o=0.18,f=-5.5!) USER MOD Single : A 45 THR OG1 : rot 77:sc= 0.0608 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.98) USER MOD Single : B 17 TYR OH : rot -169:sc= 0.715 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -85:sc= 0.571 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= -0.0652 K(o=-0.065,f=-2.9!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot 78:sc= 0.263 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 3.259 12.124 -11.546 1.00 0.00 C HETATM 2 O ACE A 0 3.508 12.315 -12.735 1.00 0.00 O HETATM 3 CH3 ACE A 0 2.433 13.122 -10.769 1.00 0.00 C HETATM 0 H1 ACE A 0 1.537 12.633 -10.387 1.00 0.00 H new HETATM 0 H2 ACE A 0 3.019 13.509 -9.935 1.00 0.00 H new HETATM 0 H3 ACE A 0 2.146 13.945 -11.424 1.00 0.00 H new ATOM 7 N ASP A 1 3.679 11.059 -10.865 1.00 0.00 N ATOM 8 CA ASP A 1 4.537 9.990 -11.418 1.00 0.00 C ATOM 9 C ASP A 1 4.203 8.587 -10.882 1.00 0.00 C ATOM 10 O ASP A 1 4.367 7.586 -11.583 1.00 0.00 O ATOM 11 CB ASP A 1 5.999 10.331 -11.098 1.00 0.00 C ATOM 12 CG ASP A 1 6.990 9.406 -11.826 1.00 0.00 C ATOM 13 OD1 ASP A 1 7.070 9.464 -13.078 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.715 8.642 -11.145 1.00 0.00 O ATOM 0 H ASP A 1 3.431 10.903 -9.888 1.00 0.00 H new ATOM 0 HA ASP A 1 4.358 9.951 -12.493 1.00 0.00 H new ATOM 0 HB2 ASP A 1 6.198 11.365 -11.379 1.00 0.00 H new ATOM 0 HB3 ASP A 1 6.160 10.256 -10.022 1.00 0.00 H new ATOM 19 N TYR A 2 3.677 8.522 -9.657 1.00 0.00 N ATOM 20 CA TYR A 2 3.287 7.283 -8.962 1.00 0.00 C ATOM 21 C TYR A 2 2.342 6.382 -9.771 1.00 0.00 C ATOM 22 O TYR A 2 2.407 5.164 -9.662 1.00 0.00 O ATOM 23 CB TYR A 2 2.649 7.628 -7.608 1.00 0.00 C ATOM 24 CG TYR A 2 1.235 8.189 -7.658 1.00 0.00 C ATOM 25 CD1 TYR A 2 1.015 9.578 -7.766 1.00 0.00 C ATOM 26 CD2 TYR A 2 0.133 7.311 -7.591 1.00 0.00 C ATOM 27 CE1 TYR A 2 -0.300 10.083 -7.820 1.00 0.00 C ATOM 28 CE2 TYR A 2 -1.182 7.813 -7.651 1.00 0.00 C ATOM 29 CZ TYR A 2 -1.402 9.203 -7.763 1.00 0.00 C ATOM 30 OH TYR A 2 -2.667 9.701 -7.820 1.00 0.00 O ATOM 0 H TYR A 2 3.503 9.357 -9.098 1.00 0.00 H new ATOM 0 HA TYR A 2 4.203 6.710 -8.822 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.639 6.728 -6.994 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.288 8.352 -7.102 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.855 10.256 -7.807 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.298 6.248 -7.493 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.465 11.147 -7.905 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.021 7.135 -7.611 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.311 8.964 -7.770 1.00 0.00 H new ATOM 40 N LEU A 3 1.486 6.985 -10.599 1.00 0.00 N ATOM 41 CA LEU A 3 0.501 6.314 -11.460 1.00 0.00 C ATOM 42 C LEU A 3 1.174 5.359 -12.451 1.00 0.00 C ATOM 43 O LEU A 3 0.786 4.196 -12.553 1.00 0.00 O ATOM 44 CB LEU A 3 -0.306 7.374 -12.238 1.00 0.00 C ATOM 45 CG LEU A 3 -1.193 8.276 -11.365 1.00 0.00 C ATOM 46 CD1 LEU A 3 -1.643 9.496 -12.167 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.440 7.540 -10.869 1.00 0.00 C ATOM 0 H LEU A 3 1.457 8.000 -10.694 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.160 5.727 -10.822 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.389 8.002 -12.796 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.936 6.867 -12.969 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.597 8.578 -10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.271 10.131 -11.542 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.769 10.059 -12.493 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.210 9.169 -13.038 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.040 8.213 -10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.029 7.206 -11.723 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.141 6.677 -10.274 1.00 0.00 H new ATOM 59 N ARG A 4 2.214 5.829 -13.150 1.00 0.00 N ATOM 60 CA ARG A 4 3.021 5.009 -14.068 1.00 0.00 C ATOM 61 C ARG A 4 3.713 3.868 -13.327 1.00 0.00 C ATOM 62 O ARG A 4 3.720 2.744 -13.821 1.00 0.00 O ATOM 63 CB ARG A 4 3.999 5.924 -14.830 1.00 0.00 C ATOM 64 CG ARG A 4 4.986 5.206 -15.770 1.00 0.00 C ATOM 65 CD ARG A 4 6.307 4.834 -15.071 1.00 0.00 C ATOM 66 NE ARG A 4 7.344 4.388 -16.024 1.00 0.00 N ATOM 67 CZ ARG A 4 8.102 5.150 -16.795 1.00 0.00 C ATOM 68 NH1 ARG A 4 7.975 6.447 -16.838 1.00 0.00 N ATOM 69 NH2 ARG A 4 9.021 4.619 -17.551 1.00 0.00 N ATOM 0 H ARG A 4 2.524 6.799 -13.095 1.00 0.00 H new ATOM 0 HA ARG A 4 2.376 4.527 -14.803 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.420 6.637 -15.417 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.571 6.500 -14.103 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.518 4.302 -16.159 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.200 5.848 -16.625 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.676 5.696 -14.515 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.120 4.042 -14.345 1.00 0.00 H new ATOM 0 HE ARG A 4 7.492 3.381 -16.095 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.271 6.910 -16.263 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.580 6.999 -17.446 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.160 3.609 -17.551 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.601 5.214 -18.143 1.00 0.00 H new ATOM 83 N GLU A 5 4.252 4.136 -12.136 1.00 0.00 N ATOM 84 CA GLU A 5 4.864 3.089 -11.302 1.00 0.00 C ATOM 85 C GLU A 5 3.832 2.026 -10.870 1.00 0.00 C ATOM 86 O GLU A 5 4.105 0.824 -10.945 1.00 0.00 O ATOM 87 CB GLU A 5 5.577 3.738 -10.109 1.00 0.00 C ATOM 88 CG GLU A 5 6.305 2.715 -9.230 1.00 0.00 C ATOM 89 CD GLU A 5 7.219 3.408 -8.200 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.706 4.053 -7.255 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.463 3.302 -8.324 1.00 0.00 O ATOM 0 H GLU A 5 4.279 5.068 -11.723 1.00 0.00 H new ATOM 0 HA GLU A 5 5.608 2.554 -11.892 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.294 4.473 -10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.848 4.278 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.575 2.094 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.899 2.051 -9.858 1.00 0.00 H new ATOM 98 N LEU A 6 2.626 2.466 -10.500 1.00 0.00 N ATOM 99 CA LEU A 6 1.471 1.628 -10.179 1.00 0.00 C ATOM 100 C LEU A 6 1.072 0.727 -11.346 1.00 0.00 C ATOM 101 O LEU A 6 1.141 -0.490 -11.215 1.00 0.00 O ATOM 102 CB LEU A 6 0.297 2.525 -9.725 1.00 0.00 C ATOM 103 CG LEU A 6 -0.004 2.379 -8.232 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.182 2.736 -7.333 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.162 3.295 -7.843 1.00 0.00 C ATOM 0 H LEU A 6 2.421 3.461 -10.413 1.00 0.00 H new ATOM 0 HA LEU A 6 1.745 0.961 -9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.532 3.566 -9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.594 2.271 -10.299 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.246 1.327 -8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.898 2.610 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.022 2.081 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.472 3.772 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.371 3.186 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.895 4.330 -8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.049 3.024 -8.416 1.00 0.00 H new ATOM 117 N LEU A 7 0.694 1.303 -12.490 1.00 0.00 N ATOM 118 CA LEU A 7 0.294 0.529 -13.668 1.00 0.00 C ATOM 119 C LEU A 7 1.385 -0.445 -14.133 1.00 0.00 C ATOM 120 O LEU A 7 1.082 -1.622 -14.317 1.00 0.00 O ATOM 121 CB LEU A 7 -0.165 1.426 -14.834 1.00 0.00 C ATOM 122 CG LEU A 7 -1.652 1.834 -14.743 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.826 3.215 -14.130 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.305 1.844 -16.124 1.00 0.00 C ATOM 0 H LEU A 7 0.657 2.313 -12.626 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.563 -0.065 -13.349 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.451 2.325 -14.855 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.004 0.902 -15.775 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.132 1.092 -14.105 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.887 3.462 -14.085 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.409 3.221 -13.123 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.307 3.953 -14.742 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.351 2.135 -16.030 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.787 2.556 -16.766 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.243 0.848 -16.563 1.00 0.00 H new ATOM 136 N LYS A 8 2.646 -0.013 -14.283 1.00 0.00 N ATOM 137 CA LYS A 8 3.734 -0.915 -14.717 1.00 0.00 C ATOM 138 C LYS A 8 3.976 -2.073 -13.745 1.00 0.00 C ATOM 139 O LYS A 8 4.233 -3.191 -14.190 1.00 0.00 O ATOM 140 CB LYS A 8 5.034 -0.131 -14.979 1.00 0.00 C ATOM 141 CG LYS A 8 4.996 0.777 -16.223 1.00 0.00 C ATOM 142 CD LYS A 8 4.670 0.017 -17.523 1.00 0.00 C ATOM 143 CE LYS A 8 4.901 0.870 -18.779 1.00 0.00 C ATOM 144 NZ LYS A 8 6.339 0.939 -19.159 1.00 0.00 N ATOM 0 H LYS A 8 2.941 0.948 -14.112 1.00 0.00 H new ATOM 0 HA LYS A 8 3.405 -1.363 -15.654 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.256 0.481 -14.105 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.855 -0.840 -15.088 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.252 1.559 -16.071 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.961 1.272 -16.332 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.286 -0.880 -17.579 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.631 -0.311 -17.497 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.328 0.455 -19.608 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.525 1.878 -18.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.445 1.525 -20.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.884 1.360 -18.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.694 -0.020 -19.352 1.00 0.00 H new ATOM 158 N GLY A 9 3.846 -1.843 -12.439 1.00 0.00 N ATOM 159 CA GLY A 9 4.092 -2.857 -11.422 1.00 0.00 C ATOM 160 C GLY A 9 2.926 -3.786 -11.136 1.00 0.00 C ATOM 161 O GLY A 9 3.108 -4.994 -10.985 1.00 0.00 O ATOM 0 H GLY A 9 3.565 -0.940 -12.057 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.947 -3.458 -11.732 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.373 -2.357 -10.495 1.00 0.00 H new ATOM 165 N GLU A 10 1.712 -3.251 -11.149 1.00 0.00 N ATOM 166 CA GLU A 10 0.496 -4.058 -11.168 1.00 0.00 C ATOM 167 C GLU A 10 0.459 -4.937 -12.420 1.00 0.00 C ATOM 168 O GLU A 10 0.127 -6.119 -12.298 1.00 0.00 O ATOM 169 CB GLU A 10 -0.748 -3.157 -11.120 1.00 0.00 C ATOM 170 CG GLU A 10 -0.969 -2.381 -9.811 1.00 0.00 C ATOM 171 CD GLU A 10 -1.818 -3.183 -8.831 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.481 -4.226 -8.245 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.024 -2.998 -8.564 1.00 0.00 O ATOM 0 H GLU A 10 1.541 -2.245 -11.147 1.00 0.00 H new ATOM 0 HA GLU A 10 0.497 -4.701 -10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.684 -2.439 -11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.627 -3.775 -11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.006 -2.148 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.458 -1.431 -10.027 1.00 0.00 H new ATOM 180 N LEU A 11 0.863 -4.435 -13.604 1.00 0.00 N ATOM 181 CA LEU A 11 0.820 -5.296 -14.792 1.00 0.00 C ATOM 182 C LEU A 11 1.851 -6.441 -14.764 1.00 0.00 C ATOM 183 O LEU A 11 1.577 -7.543 -15.243 1.00 0.00 O ATOM 184 CB LEU A 11 0.772 -4.433 -16.057 1.00 0.00 C ATOM 185 CG LEU A 11 2.075 -4.320 -16.855 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.288 -5.471 -17.847 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.075 -3.028 -17.669 1.00 0.00 C ATOM 0 H LEU A 11 1.206 -3.486 -13.757 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.111 -5.864 -14.795 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.002 -4.835 -16.716 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.457 -3.429 -15.774 1.00 0.00 H new ATOM 0 HG LEU A 11 2.875 -4.345 -16.115 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.230 -5.325 -18.377 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.318 -6.417 -17.306 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.467 -5.490 -18.564 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.004 -2.954 -18.234 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.231 -3.032 -18.358 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.990 -2.174 -16.997 1.00 0.00 H new ATOM 199 N GLN A 12 2.992 -6.222 -14.109 1.00 0.00 N ATOM 200 CA GLN A 12 4.038 -7.217 -13.875 1.00 0.00 C ATOM 201 C GLN A 12 3.535 -8.406 -13.033 1.00 0.00 C ATOM 202 O GLN A 12 4.025 -9.525 -13.184 1.00 0.00 O ATOM 203 CB GLN A 12 5.246 -6.521 -13.220 1.00 0.00 C ATOM 204 CG GLN A 12 6.530 -7.365 -13.249 1.00 0.00 C ATOM 205 CD GLN A 12 7.722 -6.594 -12.680 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.748 -6.198 -11.522 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.748 -6.332 -13.463 1.00 0.00 N ATOM 0 H GLN A 12 3.221 -5.311 -13.712 1.00 0.00 H new ATOM 0 HA GLN A 12 4.341 -7.642 -14.832 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.431 -5.575 -13.730 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.001 -6.283 -12.185 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.379 -8.279 -12.674 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.746 -7.665 -14.274 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.746 -6.653 -14.431 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.545 -5.808 -13.101 1.00 0.00 H new ATOM 216 N GLY A 13 2.508 -8.192 -12.201 1.00 0.00 N ATOM 217 CA GLY A 13 1.891 -9.229 -11.378 1.00 0.00 C ATOM 218 C GLY A 13 0.923 -10.095 -12.181 1.00 0.00 C ATOM 219 O GLY A 13 0.862 -11.303 -11.951 1.00 0.00 O ATOM 0 H GLY A 13 2.078 -7.275 -12.082 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.668 -9.859 -10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.359 -8.764 -10.548 1.00 0.00 H new ATOM 223 N ILE A 14 0.232 -9.517 -13.176 1.00 0.00 N ATOM 224 CA ILE A 14 -0.722 -10.261 -14.026 1.00 0.00 C ATOM 225 C ILE A 14 -0.043 -11.456 -14.701 1.00 0.00 C ATOM 226 O ILE A 14 -0.557 -12.578 -14.674 1.00 0.00 O ATOM 227 CB ILE A 14 -1.369 -9.352 -15.097 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.120 -8.149 -14.496 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.308 -10.141 -16.030 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.333 -8.508 -13.633 1.00 0.00 C ATOM 0 H ILE A 14 0.315 -8.529 -13.416 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.511 -10.626 -13.369 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.537 -8.961 -15.682 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.422 -7.569 -13.892 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.450 -7.503 -15.309 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.741 -9.465 -16.767 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.743 -10.920 -16.541 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.105 -10.597 -15.443 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.794 -7.595 -13.256 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.057 -9.059 -14.234 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.013 -9.126 -12.794 1.00 0.00 H new ATOM 242 N LYS A 15 1.141 -11.220 -15.280 1.00 0.00 N ATOM 243 CA LYS A 15 1.889 -12.246 -16.017 1.00 0.00 C ATOM 244 C LYS A 15 2.461 -13.340 -15.115 1.00 0.00 C ATOM 245 O LYS A 15 2.586 -14.489 -15.538 1.00 0.00 O ATOM 246 CB LYS A 15 2.979 -11.597 -16.895 1.00 0.00 C ATOM 247 CG LYS A 15 2.578 -11.518 -18.378 1.00 0.00 C ATOM 248 CD LYS A 15 1.336 -10.655 -18.653 1.00 0.00 C ATOM 249 CE LYS A 15 1.020 -10.685 -20.155 1.00 0.00 C ATOM 250 NZ LYS A 15 -0.198 -9.898 -20.482 1.00 0.00 N ATOM 0 H LYS A 15 1.607 -10.313 -15.251 1.00 0.00 H new ATOM 0 HA LYS A 15 1.176 -12.750 -16.670 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.187 -10.593 -16.525 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.902 -12.169 -16.803 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.417 -11.119 -18.948 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.394 -12.527 -18.747 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.486 -11.029 -18.083 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.512 -9.630 -18.327 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.869 -10.288 -20.712 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.882 -11.717 -20.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.377 -9.944 -21.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.013 -10.292 -19.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.057 -8.907 -20.199 1.00 0.00 H new ATOM 264 N GLN A 16 2.769 -13.002 -13.865 1.00 0.00 N ATOM 265 CA GLN A 16 3.358 -13.907 -12.889 1.00 0.00 C ATOM 266 C GLN A 16 2.321 -14.802 -12.205 1.00 0.00 C ATOM 267 O GLN A 16 2.564 -15.991 -11.995 1.00 0.00 O ATOM 268 CB GLN A 16 4.146 -13.067 -11.888 1.00 0.00 C ATOM 269 CG GLN A 16 5.451 -12.605 -12.552 1.00 0.00 C ATOM 270 CD GLN A 16 6.451 -12.018 -11.567 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.227 -11.008 -10.912 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.608 -12.632 -11.462 1.00 0.00 N ATOM 0 H GLN A 16 2.610 -12.064 -13.496 1.00 0.00 H new ATOM 0 HA GLN A 16 4.026 -14.601 -13.399 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.558 -12.206 -11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.363 -13.651 -10.993 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.909 -13.451 -13.064 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.220 -11.859 -13.312 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.791 -13.473 -12.009 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.324 -12.268 -10.833 1.00 0.00 H new ATOM 281 N TYR A 17 1.134 -14.265 -11.935 1.00 0.00 N ATOM 282 CA TYR A 17 0.006 -15.030 -11.415 1.00 0.00 C ATOM 283 C TYR A 17 -0.470 -16.141 -12.348 1.00 0.00 C ATOM 284 O TYR A 17 -0.887 -17.193 -11.855 1.00 0.00 O ATOM 285 CB TYR A 17 -1.161 -14.097 -11.071 1.00 0.00 C ATOM 286 CG TYR A 17 -1.026 -13.421 -9.717 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.766 -14.182 -8.558 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.179 -12.027 -9.615 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.598 -13.546 -7.315 1.00 0.00 C ATOM 290 CE2 TYR A 17 -1.008 -11.386 -8.374 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.697 -12.142 -7.224 1.00 0.00 C ATOM 292 OH TYR A 17 -0.558 -11.527 -6.020 1.00 0.00 O ATOM 0 H TYR A 17 0.927 -13.276 -12.073 1.00 0.00 H new ATOM 0 HA TYR A 17 0.370 -15.522 -10.513 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.242 -13.331 -11.843 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.089 -14.668 -11.091 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.696 -15.258 -8.626 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.428 -11.447 -10.491 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.393 -14.132 -6.431 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.115 -10.314 -8.302 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.653 -10.558 -6.135 1.00 0.00 H new ATOM 302 N ARG A 18 -0.380 -15.965 -13.677 1.00 0.00 N ATOM 303 CA ARG A 18 -0.791 -17.035 -14.601 1.00 0.00 C ATOM 304 C ARG A 18 0.105 -18.279 -14.511 1.00 0.00 C ATOM 305 O ARG A 18 -0.374 -19.396 -14.703 1.00 0.00 O ATOM 306 CB ARG A 18 -0.968 -16.517 -16.030 1.00 0.00 C ATOM 307 CG ARG A 18 -1.759 -17.531 -16.879 1.00 0.00 C ATOM 308 CD ARG A 18 -2.278 -16.951 -18.203 1.00 0.00 C ATOM 309 NE ARG A 18 -3.585 -17.539 -18.567 1.00 0.00 N ATOM 310 CZ ARG A 18 -3.838 -18.757 -19.015 1.00 0.00 C ATOM 311 NH1 ARG A 18 -2.894 -19.598 -19.329 1.00 0.00 N ATOM 312 NH2 ARG A 18 -5.068 -19.162 -19.147 1.00 0.00 N ATOM 0 H ARG A 18 -0.036 -15.116 -14.126 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.775 -17.371 -14.275 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.491 -15.561 -16.014 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.008 -16.339 -16.482 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.122 -18.389 -17.093 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.604 -17.899 -16.297 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.374 -15.869 -18.116 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.556 -17.144 -18.996 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.394 -16.927 -18.459 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.916 -19.326 -19.233 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.133 -20.529 -19.671 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.839 -18.539 -18.905 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.261 -20.102 -19.493 1.00 0.00 H new ATOM 326 N GLU A 19 1.376 -18.108 -14.139 1.00 0.00 N ATOM 327 CA GLU A 19 2.288 -19.226 -13.852 1.00 0.00 C ATOM 328 C GLU A 19 1.962 -19.973 -12.543 1.00 0.00 C ATOM 329 O GLU A 19 2.266 -21.158 -12.409 1.00 0.00 O ATOM 330 CB GLU A 19 3.728 -18.695 -13.773 1.00 0.00 C ATOM 331 CG GLU A 19 4.636 -19.226 -14.892 1.00 0.00 C ATOM 332 CD GLU A 19 4.254 -18.681 -16.284 1.00 0.00 C ATOM 333 OE1 GLU A 19 3.399 -19.294 -16.968 1.00 0.00 O ATOM 334 OE2 GLU A 19 4.832 -17.655 -16.719 1.00 0.00 O ATOM 0 H GLU A 19 1.806 -17.190 -14.027 1.00 0.00 H new ATOM 0 HA GLU A 19 2.166 -19.942 -14.665 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.709 -17.606 -13.817 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.156 -18.968 -12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.669 -18.957 -14.673 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.586 -20.315 -14.907 1.00 0.00 H new ATOM 341 N ALA A 20 1.379 -19.282 -11.558 1.00 0.00 N ATOM 342 CA ALA A 20 1.274 -19.775 -10.184 1.00 0.00 C ATOM 343 C ALA A 20 0.127 -20.774 -9.933 1.00 0.00 C ATOM 344 O ALA A 20 0.307 -21.702 -9.141 1.00 0.00 O ATOM 345 CB ALA A 20 1.182 -18.550 -9.270 1.00 0.00 C ATOM 0 H ALA A 20 0.965 -18.360 -11.694 1.00 0.00 H new ATOM 0 HA ALA A 20 2.162 -20.368 -9.967 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.102 -18.875 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.076 -17.938 -9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.302 -17.963 -9.535 1.00 0.00 H new ATOM 351 N LEU A 21 -1.022 -20.677 -10.624 1.00 0.00 N ATOM 352 CA LEU A 21 -2.072 -21.713 -10.528 1.00 0.00 C ATOM 353 C LEU A 21 -1.563 -23.081 -10.999 1.00 0.00 C ATOM 354 O LEU A 21 -1.933 -24.106 -10.438 1.00 0.00 O ATOM 355 CB LEU A 21 -3.329 -21.302 -11.309 1.00 0.00 C ATOM 356 CG LEU A 21 -4.522 -22.265 -11.162 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.115 -22.225 -9.756 1.00 0.00 C ATOM 358 CD2 LEU A 21 -5.631 -21.887 -12.140 1.00 0.00 C ATOM 0 H LEU A 21 -1.248 -19.903 -11.248 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.340 -21.804 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.637 -20.310 -10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.073 -21.221 -12.365 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.143 -23.266 -11.368 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.954 -22.918 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.353 -22.512 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.462 -21.215 -9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.468 -22.576 -12.025 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.967 -20.871 -11.934 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.251 -21.944 -13.160 1.00 0.00 H new ATOM 370 N GLU A 22 -0.645 -23.107 -11.963 1.00 0.00 N ATOM 371 CA GLU A 22 -0.030 -24.345 -12.471 1.00 0.00 C ATOM 372 C GLU A 22 0.772 -25.135 -11.419 1.00 0.00 C ATOM 373 O GLU A 22 1.025 -26.331 -11.583 1.00 0.00 O ATOM 374 CB GLU A 22 0.891 -23.984 -13.638 1.00 0.00 C ATOM 375 CG GLU A 22 0.370 -24.566 -14.960 1.00 0.00 C ATOM 376 CD GLU A 22 1.237 -24.130 -16.156 1.00 0.00 C ATOM 377 OE1 GLU A 22 2.399 -24.567 -16.277 1.00 0.00 O ATOM 378 OE2 GLU A 22 0.733 -23.352 -17.017 1.00 0.00 O ATOM 0 H GLU A 22 -0.300 -22.264 -12.422 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.847 -24.998 -12.778 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.969 -22.900 -13.721 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.895 -24.362 -13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.356 -25.654 -14.898 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.659 -24.243 -15.119 1.00 0.00 H new ATOM 385 N TYR A 23 1.135 -24.459 -10.331 1.00 0.00 N ATOM 386 CA TYR A 23 2.002 -24.915 -9.242 1.00 0.00 C ATOM 387 C TYR A 23 1.232 -25.098 -7.920 1.00 0.00 C ATOM 388 O TYR A 23 1.816 -25.505 -6.912 1.00 0.00 O ATOM 389 CB TYR A 23 3.162 -23.907 -9.086 1.00 0.00 C ATOM 390 CG TYR A 23 4.526 -24.493 -9.393 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.229 -25.189 -8.390 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.086 -24.349 -10.679 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.495 -25.741 -8.669 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.353 -24.899 -10.960 1.00 0.00 C ATOM 395 CZ TYR A 23 7.060 -25.598 -9.957 1.00 0.00 C ATOM 396 OH TYR A 23 8.282 -26.132 -10.236 1.00 0.00 O ATOM 0 H TYR A 23 0.807 -23.506 -10.174 1.00 0.00 H new ATOM 0 HA TYR A 23 2.399 -25.899 -9.493 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.985 -23.058 -9.746 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.163 -23.523 -8.066 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.797 -25.300 -7.406 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.545 -23.818 -11.448 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.034 -26.273 -7.899 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.784 -24.786 -11.944 1.00 0.00 H new ATOM 0 HH TYR A 23 8.517 -25.941 -11.168 1.00 0.00 H new ATOM 406 N THR A 24 -0.075 -24.801 -7.915 1.00 0.00 N ATOM 407 CA THR A 24 -0.909 -24.725 -6.699 1.00 0.00 C ATOM 408 C THR A 24 -2.318 -25.300 -6.871 1.00 0.00 C ATOM 409 O THR A 24 -2.851 -25.892 -5.932 1.00 0.00 O ATOM 410 CB THR A 24 -1.051 -23.271 -6.221 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.689 -22.487 -7.200 1.00 0.00 O ATOM 412 CG2 THR A 24 0.275 -22.584 -5.895 1.00 0.00 C ATOM 0 H THR A 24 -0.595 -24.603 -8.770 1.00 0.00 H new ATOM 0 HA THR A 24 -0.383 -25.335 -5.965 1.00 0.00 H new ATOM 0 HB THR A 24 -1.636 -23.341 -5.304 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.025 -22.166 -7.845 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.084 -21.563 -5.566 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.783 -23.132 -5.102 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.904 -22.567 -6.785 1.00 0.00 H new ATOM 420 N HIS A 25 -2.914 -25.158 -8.062 1.00 0.00 N ATOM 421 CA HIS A 25 -4.299 -25.520 -8.423 1.00 0.00 C ATOM 422 C HIS A 25 -5.340 -25.103 -7.357 1.00 0.00 C ATOM 423 O HIS A 25 -6.316 -25.813 -7.101 1.00 0.00 O ATOM 424 CB HIS A 25 -4.339 -26.986 -8.891 1.00 0.00 C ATOM 425 CG HIS A 25 -3.679 -27.170 -10.241 1.00 0.00 C ATOM 426 ND1 HIS A 25 -4.336 -27.224 -11.461 1.00 0.00 N ATOM 427 CD2 HIS A 25 -2.333 -27.252 -10.485 1.00 0.00 C ATOM 428 CE1 HIS A 25 -3.409 -27.344 -12.432 1.00 0.00 C ATOM 429 NE2 HIS A 25 -2.185 -27.366 -11.857 1.00 0.00 N ATOM 0 H HIS A 25 -2.411 -24.761 -8.855 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.624 -24.926 -9.277 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.839 -27.615 -8.155 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.375 -27.321 -8.946 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.542 -27.232 -9.750 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.610 -27.411 -13.491 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.298 -27.452 -12.353 1.00 0.00 H new ATOM 438 N ASN A 26 -5.129 -23.934 -6.738 1.00 0.00 N ATOM 439 CA ASN A 26 -5.925 -23.391 -5.628 1.00 0.00 C ATOM 440 C ASN A 26 -6.901 -22.288 -6.088 1.00 0.00 C ATOM 441 O ASN A 26 -6.566 -21.505 -6.981 1.00 0.00 O ATOM 442 CB ASN A 26 -4.958 -22.876 -4.534 1.00 0.00 C ATOM 443 CG ASN A 26 -4.931 -23.790 -3.310 1.00 0.00 C ATOM 444 OD1 ASN A 26 -4.964 -25.008 -3.400 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.910 -23.240 -2.116 1.00 0.00 N ATOM 0 H ASN A 26 -4.366 -23.314 -7.008 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.550 -24.186 -5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.953 -22.797 -4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.257 -21.873 -4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.921 -23.829 -1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.882 -22.225 -2.023 1.00 0.00 H new ATOM 452 N PRO A 27 -8.073 -22.147 -5.432 1.00 0.00 N ATOM 453 CA PRO A 27 -9.085 -21.148 -5.791 1.00 0.00 C ATOM 454 C PRO A 27 -8.666 -19.705 -5.466 1.00 0.00 C ATOM 455 O PRO A 27 -9.365 -18.762 -5.836 1.00 0.00 O ATOM 456 CB PRO A 27 -10.339 -21.555 -5.005 1.00 0.00 C ATOM 457 CG PRO A 27 -9.769 -22.218 -3.754 1.00 0.00 C ATOM 458 CD PRO A 27 -8.531 -22.934 -4.290 1.00 0.00 C ATOM 0 HA PRO A 27 -9.247 -21.139 -6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.956 -20.692 -4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.965 -22.242 -5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.514 -21.486 -2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.478 -22.914 -3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.757 -22.999 -3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.770 -23.954 -4.590 1.00 0.00 H new ATOM 466 N VAL A 28 -7.539 -19.505 -4.772 1.00 0.00 N ATOM 467 CA VAL A 28 -7.094 -18.185 -4.320 1.00 0.00 C ATOM 468 C VAL A 28 -6.571 -17.337 -5.480 1.00 0.00 C ATOM 469 O VAL A 28 -6.895 -16.157 -5.551 1.00 0.00 O ATOM 470 CB VAL A 28 -6.067 -18.301 -3.182 1.00 0.00 C ATOM 471 CG1 VAL A 28 -6.131 -17.033 -2.341 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.315 -19.466 -2.206 1.00 0.00 C ATOM 0 H VAL A 28 -6.907 -20.261 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.963 -17.665 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.108 -18.468 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.408 -17.099 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.898 -16.170 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.133 -16.921 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.541 -19.468 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.292 -19.346 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.288 -20.409 -2.751 1.00 0.00 H new ATOM 482 N LEU A 29 -5.867 -17.917 -6.459 1.00 0.00 N ATOM 483 CA LEU A 29 -5.454 -17.210 -7.677 1.00 0.00 C ATOM 484 C LEU A 29 -6.668 -16.663 -8.452 1.00 0.00 C ATOM 485 O LEU A 29 -6.637 -15.526 -8.923 1.00 0.00 O ATOM 486 CB LEU A 29 -4.643 -18.176 -8.553 1.00 0.00 C ATOM 487 CG LEU A 29 -3.218 -18.538 -8.103 1.00 0.00 C ATOM 488 CD1 LEU A 29 -2.283 -17.354 -8.312 1.00 0.00 C ATOM 489 CD2 LEU A 29 -3.065 -19.024 -6.665 1.00 0.00 C ATOM 0 H LEU A 29 -5.567 -18.891 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.840 -16.353 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.210 -19.102 -8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.578 -17.746 -9.552 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.957 -19.389 -8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.277 -17.623 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.266 -17.086 -9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.636 -16.504 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.017 -19.248 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.407 -18.248 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.662 -19.924 -6.520 1.00 0.00 H new ATOM 501 N ALA A 30 -7.766 -17.429 -8.487 1.00 0.00 N ATOM 502 CA ALA A 30 -9.066 -17.036 -9.045 1.00 0.00 C ATOM 503 C ALA A 30 -9.806 -15.933 -8.243 1.00 0.00 C ATOM 504 O ALA A 30 -10.924 -15.553 -8.603 1.00 0.00 O ATOM 505 CB ALA A 30 -9.918 -18.302 -9.220 1.00 0.00 C ATOM 0 H ALA A 30 -7.773 -18.378 -8.112 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.885 -16.566 -10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.890 -18.032 -9.634 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.413 -18.990 -9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.057 -18.784 -8.252 1.00 0.00 H new ATOM 511 N LYS A 31 -9.177 -15.380 -7.194 1.00 0.00 N ATOM 512 CA LYS A 31 -9.536 -14.123 -6.528 1.00 0.00 C ATOM 513 C LYS A 31 -8.426 -13.078 -6.646 1.00 0.00 C ATOM 514 O LYS A 31 -8.720 -11.926 -6.949 1.00 0.00 O ATOM 515 CB LYS A 31 -9.863 -14.358 -5.041 1.00 0.00 C ATOM 516 CG LYS A 31 -11.051 -15.299 -4.798 1.00 0.00 C ATOM 517 CD LYS A 31 -11.358 -15.380 -3.295 1.00 0.00 C ATOM 518 CE LYS A 31 -12.548 -16.312 -3.041 1.00 0.00 C ATOM 519 NZ LYS A 31 -12.899 -16.366 -1.596 1.00 0.00 N ATOM 0 H LYS A 31 -8.363 -15.822 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.422 -13.742 -7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.982 -14.769 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.073 -13.397 -4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.927 -14.939 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.824 -16.292 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.482 -15.744 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.578 -14.385 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.410 -15.968 -3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.309 -17.314 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.708 -17.005 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.084 -16.717 -1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.151 -15.413 -1.264 1.00 0.00 H new ATOM 533 N ILE A 32 -7.162 -13.470 -6.460 1.00 0.00 N ATOM 534 CA ILE A 32 -6.036 -12.528 -6.400 1.00 0.00 C ATOM 535 C ILE A 32 -5.837 -11.813 -7.737 1.00 0.00 C ATOM 536 O ILE A 32 -6.094 -10.614 -7.838 1.00 0.00 O ATOM 537 CB ILE A 32 -4.725 -13.195 -5.923 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.792 -13.892 -4.547 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.652 -12.104 -5.813 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.772 -15.040 -4.456 1.00 0.00 C ATOM 0 H ILE A 32 -6.889 -14.446 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.297 -11.781 -5.651 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.510 -13.971 -6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.597 -13.165 -3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.797 -14.281 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.715 -12.548 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.505 -11.639 -6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.973 -11.349 -5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.842 -15.512 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.984 -15.777 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.766 -14.645 -4.597 1.00 0.00 H new ATOM 552 N LEU A 33 -5.429 -12.537 -8.784 1.00 0.00 N ATOM 553 CA LEU A 33 -5.234 -11.942 -10.112 1.00 0.00 C ATOM 554 C LEU A 33 -6.570 -11.514 -10.741 1.00 0.00 C ATOM 555 O LEU A 33 -6.597 -10.622 -11.583 1.00 0.00 O ATOM 556 CB LEU A 33 -4.420 -12.901 -11.000 1.00 0.00 C ATOM 557 CG LEU A 33 -5.264 -14.011 -11.647 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.642 -13.701 -13.097 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.603 -15.390 -11.631 1.00 0.00 C ATOM 0 H LEU A 33 -5.227 -13.536 -8.739 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.655 -11.024 -10.012 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.929 -12.326 -11.785 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.633 -13.358 -10.400 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.155 -14.039 -11.020 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.237 -14.520 -13.501 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.222 -12.779 -13.133 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.736 -13.583 -13.692 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.263 -16.116 -12.106 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.659 -15.348 -12.175 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.414 -15.691 -10.601 1.00 0.00 H new ATOM 571 N GLU A 34 -7.676 -12.132 -10.311 1.00 0.00 N ATOM 572 CA GLU A 34 -9.024 -11.756 -10.732 1.00 0.00 C ATOM 573 C GLU A 34 -9.344 -10.313 -10.302 1.00 0.00 C ATOM 574 O GLU A 34 -9.934 -9.551 -11.069 1.00 0.00 O ATOM 575 CB GLU A 34 -10.035 -12.769 -10.171 1.00 0.00 C ATOM 576 CG GLU A 34 -11.439 -12.672 -10.784 1.00 0.00 C ATOM 577 CD GLU A 34 -11.483 -13.233 -12.221 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.221 -12.473 -13.182 1.00 0.00 O ATOM 579 OE2 GLU A 34 -11.793 -14.437 -12.402 1.00 0.00 O ATOM 0 H GLU A 34 -7.657 -12.913 -9.656 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.090 -11.781 -11.820 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.650 -13.776 -10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.112 -12.627 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.146 -13.219 -10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.760 -11.630 -10.792 1.00 0.00 H new ATOM 586 N ASP A 35 -8.882 -9.896 -9.117 1.00 0.00 N ATOM 587 CA ASP A 35 -8.889 -8.495 -8.712 1.00 0.00 C ATOM 588 C ASP A 35 -7.839 -7.648 -9.425 1.00 0.00 C ATOM 589 O ASP A 35 -8.186 -6.577 -9.921 1.00 0.00 O ATOM 590 CB ASP A 35 -8.678 -8.392 -7.204 1.00 0.00 C ATOM 591 CG ASP A 35 -9.781 -8.983 -6.317 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.965 -9.030 -6.740 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.444 -9.327 -5.156 1.00 0.00 O ATOM 0 H ASP A 35 -8.493 -10.525 -8.415 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.864 -8.099 -8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.739 -8.887 -6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.561 -7.339 -6.947 1.00 0.00 H new ATOM 598 N GLU A 36 -6.588 -8.103 -9.552 1.00 0.00 N ATOM 599 CA GLU A 36 -5.567 -7.333 -10.268 1.00 0.00 C ATOM 600 C GLU A 36 -5.961 -6.981 -11.713 1.00 0.00 C ATOM 601 O GLU A 36 -5.522 -5.956 -12.239 1.00 0.00 O ATOM 602 CB GLU A 36 -4.230 -8.077 -10.286 1.00 0.00 C ATOM 603 CG GLU A 36 -3.646 -8.426 -8.917 1.00 0.00 C ATOM 604 CD GLU A 36 -3.270 -7.238 -8.039 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.519 -6.044 -8.333 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.708 -7.449 -6.939 1.00 0.00 O ATOM 0 H GLU A 36 -6.261 -8.991 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.473 -6.398 -9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.356 -9.000 -10.852 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.504 -7.469 -10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.370 -9.038 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.758 -9.040 -9.067 1.00 0.00 H new ATOM 613 N GLU A 37 -6.820 -7.790 -12.341 1.00 0.00 N ATOM 614 CA GLU A 37 -7.275 -7.567 -13.722 1.00 0.00 C ATOM 615 C GLU A 37 -8.152 -6.305 -13.817 1.00 0.00 C ATOM 616 O GLU A 37 -8.098 -5.563 -14.803 1.00 0.00 O ATOM 617 CB GLU A 37 -8.025 -8.815 -14.222 1.00 0.00 C ATOM 618 CG GLU A 37 -8.272 -8.813 -15.742 1.00 0.00 C ATOM 619 CD GLU A 37 -9.772 -8.806 -16.108 1.00 0.00 C ATOM 620 OE1 GLU A 37 -10.480 -7.818 -15.796 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.249 -9.778 -16.743 1.00 0.00 O ATOM 0 H GLU A 37 -7.222 -8.621 -11.907 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.409 -7.402 -14.362 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.453 -9.704 -13.956 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.983 -8.885 -13.706 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.792 -7.939 -16.182 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.800 -9.691 -16.183 1.00 0.00 H new ATOM 628 N LYS A 38 -8.896 -6.029 -12.740 1.00 0.00 N ATOM 629 CA LYS A 38 -9.712 -4.828 -12.542 1.00 0.00 C ATOM 630 C LYS A 38 -8.875 -3.670 -12.017 1.00 0.00 C ATOM 631 O LYS A 38 -8.995 -2.574 -12.551 1.00 0.00 O ATOM 632 CB LYS A 38 -10.864 -5.140 -11.570 1.00 0.00 C ATOM 633 CG LYS A 38 -11.757 -6.287 -12.073 1.00 0.00 C ATOM 634 CD LYS A 38 -12.877 -6.680 -11.100 1.00 0.00 C ATOM 635 CE LYS A 38 -12.292 -7.296 -9.822 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.336 -7.905 -8.957 1.00 0.00 N ATOM 0 H LYS A 38 -8.947 -6.667 -11.946 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.123 -4.528 -13.506 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.453 -5.403 -10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.470 -4.245 -11.429 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.202 -5.996 -13.025 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.134 -7.161 -12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.471 -5.802 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.549 -7.393 -11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.558 -8.056 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.762 -6.526 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.891 -8.307 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.023 -7.176 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.825 -8.658 -9.481 1.00 0.00 H new ATOM 650 N HIS A 39 -8.006 -3.898 -11.026 1.00 0.00 N ATOM 651 CA HIS A 39 -7.248 -2.890 -10.285 1.00 0.00 C ATOM 652 C HIS A 39 -6.522 -1.858 -11.154 1.00 0.00 C ATOM 653 O HIS A 39 -6.582 -0.663 -10.869 1.00 0.00 O ATOM 654 CB HIS A 39 -6.236 -3.642 -9.430 1.00 0.00 C ATOM 655 CG HIS A 39 -6.742 -4.249 -8.155 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.899 -4.624 -7.108 1.00 0.00 N ATOM 657 CD2 HIS A 39 -8.041 -4.479 -7.804 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.719 -5.048 -6.133 1.00 0.00 C ATOM 659 NE2 HIS A 39 -8.005 -4.948 -6.509 1.00 0.00 N ATOM 0 H HIS A 39 -7.803 -4.844 -10.703 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.958 -2.307 -9.698 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.804 -4.438 -10.037 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.426 -2.956 -9.181 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.880 -4.585 -7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.917 -4.325 -8.416 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.389 -5.420 -5.174 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.815 -5.180 -5.934 1.00 0.00 H new ATOM 667 N ILE A 40 -5.860 -2.315 -12.219 1.00 0.00 N ATOM 668 CA ILE A 40 -5.089 -1.457 -13.131 1.00 0.00 C ATOM 669 C ILE A 40 -5.998 -0.438 -13.821 1.00 0.00 C ATOM 670 O ILE A 40 -5.690 0.754 -13.843 1.00 0.00 O ATOM 671 CB ILE A 40 -4.350 -2.341 -14.173 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.380 -3.345 -13.508 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.556 -1.502 -15.192 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.990 -4.525 -14.408 1.00 0.00 C ATOM 0 H ILE A 40 -5.842 -3.301 -12.478 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.351 -0.898 -12.555 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.137 -2.889 -14.691 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.476 -2.816 -13.207 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.840 -3.731 -12.599 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.057 -2.165 -15.899 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.237 -0.843 -15.731 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.811 -0.903 -14.668 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.308 -5.183 -13.870 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.885 -5.080 -14.688 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.499 -4.151 -15.306 1.00 0.00 H new ATOM 686 N GLU A 41 -7.141 -0.890 -14.341 1.00 0.00 N ATOM 687 CA GLU A 41 -8.134 -0.004 -14.950 1.00 0.00 C ATOM 688 C GLU A 41 -8.912 0.791 -13.891 1.00 0.00 C ATOM 689 O GLU A 41 -9.194 1.970 -14.088 1.00 0.00 O ATOM 690 CB GLU A 41 -9.059 -0.820 -15.866 1.00 0.00 C ATOM 691 CG GLU A 41 -9.628 0.054 -16.992 1.00 0.00 C ATOM 692 CD GLU A 41 -10.408 -0.795 -18.013 1.00 0.00 C ATOM 693 OE1 GLU A 41 -9.792 -1.350 -18.952 1.00 0.00 O ATOM 694 OE2 GLU A 41 -11.653 -0.922 -17.884 1.00 0.00 O ATOM 0 H GLU A 41 -7.403 -1.876 -14.352 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.619 0.738 -15.560 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.507 -1.657 -16.294 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.876 -1.243 -15.281 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.285 0.815 -16.570 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.816 0.578 -17.495 1.00 0.00 H new ATOM 701 N TRP A 42 -9.176 0.191 -12.727 1.00 0.00 N ATOM 702 CA TRP A 42 -9.819 0.817 -11.571 1.00 0.00 C ATOM 703 C TRP A 42 -9.124 2.086 -11.051 1.00 0.00 C ATOM 704 O TRP A 42 -9.835 2.988 -10.612 1.00 0.00 O ATOM 705 CB TRP A 42 -9.981 -0.245 -10.468 1.00 0.00 C ATOM 706 CG TRP A 42 -11.219 -1.088 -10.499 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.168 -1.088 -11.462 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.663 -2.062 -9.503 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.187 -1.951 -11.110 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.930 -2.578 -9.907 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.120 -2.566 -8.300 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.630 -3.528 -9.147 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.808 -3.528 -7.537 1.00 0.00 C ATOM 714 CH2 TRP A 42 -13.063 -4.006 -7.953 1.00 0.00 C ATOM 0 H TRP A 42 -8.937 -0.786 -12.559 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.793 1.179 -11.899 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.119 -0.911 -10.512 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.943 0.262 -9.504 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.134 -0.502 -12.369 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.026 -2.106 -11.669 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.160 -2.207 -7.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.594 -3.888 -9.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.368 -3.902 -6.624 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.589 -4.737 -7.358 1.00 0.00 H new ATOM 725 N LEU A 43 -7.791 2.224 -11.134 1.00 0.00 N ATOM 726 CA LEU A 43 -7.114 3.495 -10.811 1.00 0.00 C ATOM 727 C LEU A 43 -7.005 4.459 -12.014 1.00 0.00 C ATOM 728 O LEU A 43 -6.874 5.668 -11.826 1.00 0.00 O ATOM 729 CB LEU A 43 -5.785 3.186 -10.107 1.00 0.00 C ATOM 730 CG LEU A 43 -4.609 2.953 -11.068 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.674 4.157 -11.024 1.00 0.00 C ATOM 732 CD2 LEU A 43 -3.832 1.701 -10.698 1.00 0.00 C ATOM 0 H LEU A 43 -7.161 1.475 -11.421 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.731 4.062 -10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.538 4.012 -9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.913 2.301 -9.484 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.011 2.822 -12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.839 3.994 -11.705 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.219 5.052 -11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.295 4.287 -10.010 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.007 1.565 -11.397 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.438 1.803 -9.687 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.493 0.836 -10.744 1.00 0.00 H new ATOM 744 N GLU A 44 -7.097 3.953 -13.248 1.00 0.00 N ATOM 745 CA GLU A 44 -7.026 4.743 -14.483 1.00 0.00 C ATOM 746 C GLU A 44 -8.346 5.444 -14.808 1.00 0.00 C ATOM 747 O GLU A 44 -8.340 6.607 -15.205 1.00 0.00 O ATOM 748 CB GLU A 44 -6.668 3.815 -15.657 1.00 0.00 C ATOM 749 CG GLU A 44 -5.402 4.289 -16.382 1.00 0.00 C ATOM 750 CD GLU A 44 -5.137 3.553 -17.715 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.623 2.414 -17.921 1.00 0.00 O ATOM 752 OE2 GLU A 44 -4.432 4.129 -18.579 1.00 0.00 O ATOM 0 H GLU A 44 -7.226 2.956 -13.421 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.265 5.509 -14.333 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.519 2.800 -15.288 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.500 3.779 -16.361 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.485 5.358 -16.578 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.544 4.151 -15.724 1.00 0.00 H new ATOM 759 N THR A 45 -9.478 4.767 -14.594 1.00 0.00 N ATOM 760 CA THR A 45 -10.830 5.330 -14.721 1.00 0.00 C ATOM 761 C THR A 45 -10.982 6.663 -13.972 1.00 0.00 C ATOM 762 O THR A 45 -11.681 7.572 -14.425 1.00 0.00 O ATOM 763 CB THR A 45 -11.862 4.299 -14.247 1.00 0.00 C ATOM 764 OG1 THR A 45 -11.910 3.236 -15.176 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.288 4.835 -14.116 1.00 0.00 C ATOM 0 H THR A 45 -9.482 3.785 -14.320 1.00 0.00 H new ATOM 0 HA THR A 45 -11.006 5.554 -15.773 1.00 0.00 H new ATOM 0 HB THR A 45 -11.531 3.995 -13.254 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.131 2.655 -15.049 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.947 4.036 -13.776 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.305 5.652 -13.394 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.630 5.200 -15.085 1.00 0.00 H new ATOM 773 N ILE A 46 -10.292 6.786 -12.835 1.00 0.00 N ATOM 774 CA ILE A 46 -10.288 7.967 -11.958 1.00 0.00 C ATOM 775 C ILE A 46 -9.616 9.194 -12.596 1.00 0.00 C ATOM 776 O ILE A 46 -10.174 10.292 -12.556 1.00 0.00 O ATOM 777 CB ILE A 46 -9.614 7.625 -10.604 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.008 6.237 -10.047 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.897 8.716 -9.559 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.510 6.009 -9.810 1.00 0.00 C ATOM 0 H ILE A 46 -9.696 6.037 -12.483 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.331 8.237 -11.792 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.544 7.585 -10.808 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.649 5.475 -10.739 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.484 6.084 -9.104 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.414 8.453 -8.618 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.506 9.670 -9.914 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.972 8.800 -9.403 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.668 5.004 -9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.880 6.740 -9.091 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.048 6.121 -10.751 1.00 0.00 H new ATOM 792 N LEU A 47 -8.421 9.012 -13.166 1.00 0.00 N ATOM 793 CA LEU A 47 -7.559 10.068 -13.719 1.00 0.00 C ATOM 794 C LEU A 47 -6.450 9.515 -14.641 1.00 0.00 C ATOM 795 O LEU A 47 -5.268 9.488 -14.299 1.00 0.00 O ATOM 796 CB LEU A 47 -7.058 11.042 -12.619 1.00 0.00 C ATOM 797 CG LEU A 47 -6.452 10.442 -11.324 1.00 0.00 C ATOM 798 CD1 LEU A 47 -4.931 10.561 -11.257 1.00 0.00 C ATOM 799 CD2 LEU A 47 -6.966 11.201 -10.100 1.00 0.00 C ATOM 0 H LEU A 47 -8.007 8.084 -13.260 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.176 10.676 -14.380 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.306 11.691 -13.068 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.896 11.677 -12.331 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.746 9.392 -11.334 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.572 10.122 -10.326 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.487 10.034 -12.101 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.646 11.612 -11.296 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.534 10.770 -9.197 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.679 12.250 -10.175 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.052 11.124 -10.054 1.00 0.00 H new ATOM 811 N GLY A 48 -6.839 9.044 -15.825 1.00 0.00 N ATOM 812 CA GLY A 48 -5.944 8.431 -16.811 1.00 0.00 C ATOM 813 C GLY A 48 -6.671 7.924 -18.064 1.00 0.00 C ATOM 814 O GLY A 48 -7.841 8.230 -18.305 1.00 0.00 O ATOM 0 H GLY A 48 -7.810 9.078 -16.135 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.190 9.160 -17.108 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.417 7.599 -16.344 1.00 0.00 H new HETATM 818 N NH2 A 49 -5.985 7.153 -18.896 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.243 -18.491 -6.064 1.00 0.00 C HETATM 823 O ACE B 0 9.446 -17.860 -5.381 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.024 -19.963 -6.308 1.00 0.00 C HETATM 0 H1 ACE B 0 9.927 -20.144 -7.378 1.00 0.00 H new HETATM 0 H2 ACE B 0 10.873 -20.526 -5.921 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.114 -20.284 -5.801 1.00 0.00 H new ATOM 828 N ASP B 1 11.311 -17.939 -6.633 1.00 0.00 N ATOM 829 CA ASP B 1 11.728 -16.532 -6.468 1.00 0.00 C ATOM 830 C ASP B 1 10.626 -15.503 -6.791 1.00 0.00 C ATOM 831 O ASP B 1 10.541 -14.440 -6.171 1.00 0.00 O ATOM 832 CB ASP B 1 12.955 -16.295 -7.358 1.00 0.00 C ATOM 833 CG ASP B 1 13.616 -14.930 -7.100 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.205 -14.738 -6.009 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.579 -14.057 -8.001 1.00 0.00 O ATOM 0 H ASP B 1 11.936 -18.467 -7.242 1.00 0.00 H new ATOM 0 HA ASP B 1 11.959 -16.379 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.684 -17.087 -7.184 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.658 -16.359 -8.405 1.00 0.00 H new ATOM 840 N TYR B 2 9.747 -15.856 -7.732 1.00 0.00 N ATOM 841 CA TYR B 2 8.578 -15.065 -8.133 1.00 0.00 C ATOM 842 C TYR B 2 7.638 -14.713 -6.973 1.00 0.00 C ATOM 843 O TYR B 2 7.051 -13.634 -6.961 1.00 0.00 O ATOM 844 CB TYR B 2 7.804 -15.804 -9.233 1.00 0.00 C ATOM 845 CG TYR B 2 6.958 -16.991 -8.794 1.00 0.00 C ATOM 846 CD1 TYR B 2 7.509 -18.289 -8.752 1.00 0.00 C ATOM 847 CD2 TYR B 2 5.606 -16.793 -8.450 1.00 0.00 C ATOM 848 CE1 TYR B 2 6.712 -19.384 -8.361 1.00 0.00 C ATOM 849 CE2 TYR B 2 4.808 -17.884 -8.056 1.00 0.00 C ATOM 850 CZ TYR B 2 5.357 -19.183 -8.011 1.00 0.00 C ATOM 851 OH TYR B 2 4.578 -20.232 -7.628 1.00 0.00 O ATOM 0 H TYR B 2 9.831 -16.729 -8.254 1.00 0.00 H new ATOM 0 HA TYR B 2 8.962 -14.116 -8.508 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.151 -15.087 -9.731 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.520 -16.153 -9.977 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.544 -18.444 -9.020 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.180 -15.801 -8.489 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.136 -20.377 -8.329 1.00 0.00 H new ATOM 0 HE2 TYR B 2 3.774 -17.726 -7.788 1.00 0.00 H new ATOM 0 HH TYR B 2 3.675 -19.911 -7.423 1.00 0.00 H new ATOM 861 N LEU B 3 7.509 -15.603 -5.986 1.00 0.00 N ATOM 862 CA LEU B 3 6.670 -15.415 -4.795 1.00 0.00 C ATOM 863 C LEU B 3 7.147 -14.222 -3.968 1.00 0.00 C ATOM 864 O LEU B 3 6.350 -13.343 -3.652 1.00 0.00 O ATOM 865 CB LEU B 3 6.674 -16.683 -3.917 1.00 0.00 C ATOM 866 CG LEU B 3 6.017 -17.908 -4.573 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.328 -19.167 -3.763 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.492 -17.764 -4.636 1.00 0.00 C ATOM 0 H LEU B 3 7.997 -16.499 -5.991 1.00 0.00 H new ATOM 0 HA LEU B 3 5.654 -15.221 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.704 -16.931 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.158 -16.465 -2.982 1.00 0.00 H new ATOM 0 HG LEU B 3 6.419 -17.983 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.858 -20.029 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.407 -19.317 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.941 -19.053 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.062 -18.649 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.094 -17.660 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.234 -16.881 -5.221 1.00 0.00 H new ATOM 880 N ARG B 4 8.448 -14.155 -3.650 1.00 0.00 N ATOM 881 CA ARG B 4 9.019 -13.016 -2.907 1.00 0.00 C ATOM 882 C ARG B 4 8.876 -11.707 -3.685 1.00 0.00 C ATOM 883 O ARG B 4 8.546 -10.681 -3.093 1.00 0.00 O ATOM 884 CB ARG B 4 10.480 -13.300 -2.513 1.00 0.00 C ATOM 885 CG ARG B 4 10.991 -12.240 -1.520 1.00 0.00 C ATOM 886 CD ARG B 4 12.392 -12.565 -0.993 1.00 0.00 C ATOM 887 NE ARG B 4 12.821 -11.563 0.004 1.00 0.00 N ATOM 888 CZ ARG B 4 13.946 -11.560 0.696 1.00 0.00 C ATOM 889 NH1 ARG B 4 14.857 -12.481 0.546 1.00 0.00 N ATOM 890 NH2 ARG B 4 14.181 -10.617 1.565 1.00 0.00 N ATOM 0 H ARG B 4 9.127 -14.875 -3.895 1.00 0.00 H new ATOM 0 HA ARG B 4 8.449 -12.893 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.555 -14.291 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.108 -13.304 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.006 -11.265 -2.008 1.00 0.00 H new ATOM 0 HG3 ARG B 4 10.298 -12.166 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG B 4 12.395 -13.558 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.101 -12.588 -1.821 1.00 0.00 H new ATOM 0 HE ARG B 4 12.179 -10.790 0.177 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.713 -13.237 -0.124 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.714 -12.446 1.098 1.00 0.00 H new ATOM 0 HH21 ARG B 4 13.495 -9.877 1.713 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.051 -10.619 2.097 1.00 0.00 H new ATOM 904 N GLU B 5 9.061 -11.751 -5.006 1.00 0.00 N ATOM 905 CA GLU B 5 8.855 -10.599 -5.895 1.00 0.00 C ATOM 906 C GLU B 5 7.393 -10.101 -5.878 1.00 0.00 C ATOM 907 O GLU B 5 7.149 -8.894 -5.807 1.00 0.00 O ATOM 908 CB GLU B 5 9.336 -10.979 -7.304 1.00 0.00 C ATOM 909 CG GLU B 5 9.306 -9.814 -8.300 1.00 0.00 C ATOM 910 CD GLU B 5 10.045 -10.185 -9.603 1.00 0.00 C ATOM 911 OE1 GLU B 5 9.701 -11.215 -10.231 1.00 0.00 O ATOM 912 OE2 GLU B 5 10.978 -9.445 -10.003 1.00 0.00 O ATOM 0 H GLU B 5 9.361 -12.594 -5.496 1.00 0.00 H new ATOM 0 HA GLU B 5 9.443 -9.754 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.354 -11.364 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.713 -11.788 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.273 -9.550 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.769 -8.935 -7.852 1.00 0.00 H new ATOM 919 N LEU B 6 6.429 -11.027 -5.850 1.00 0.00 N ATOM 920 CA LEU B 6 5.000 -10.782 -5.620 1.00 0.00 C ATOM 921 C LEU B 6 4.742 -10.127 -4.252 1.00 0.00 C ATOM 922 O LEU B 6 4.280 -8.986 -4.190 1.00 0.00 O ATOM 923 CB LEU B 6 4.251 -12.132 -5.766 1.00 0.00 C ATOM 924 CG LEU B 6 3.374 -12.243 -7.018 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.129 -11.998 -8.326 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.784 -13.651 -7.096 1.00 0.00 C ATOM 0 H LEU B 6 6.633 -12.016 -5.994 1.00 0.00 H new ATOM 0 HA LEU B 6 4.626 -10.074 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.983 -12.939 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.626 -12.283 -4.886 1.00 0.00 H new ATOM 0 HG LEU B 6 2.611 -11.471 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.442 -12.094 -9.166 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.555 -10.995 -8.318 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.930 -12.731 -8.427 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.159 -13.735 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.591 -14.381 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.180 -13.842 -6.209 1.00 0.00 H new ATOM 938 N LEU B 7 5.087 -10.824 -3.164 1.00 0.00 N ATOM 939 CA LEU B 7 4.906 -10.378 -1.773 1.00 0.00 C ATOM 940 C LEU B 7 5.434 -8.953 -1.530 1.00 0.00 C ATOM 941 O LEU B 7 4.706 -8.106 -1.006 1.00 0.00 O ATOM 942 CB LEU B 7 5.593 -11.372 -0.803 1.00 0.00 C ATOM 943 CG LEU B 7 4.668 -12.471 -0.229 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.117 -13.879 -0.614 1.00 0.00 C ATOM 945 CD2 LEU B 7 4.677 -12.438 1.300 1.00 0.00 C ATOM 0 H LEU B 7 5.515 -11.747 -3.227 1.00 0.00 H new ATOM 0 HA LEU B 7 3.833 -10.356 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.421 -11.851 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.022 -10.809 0.026 1.00 0.00 H new ATOM 0 HG LEU B 7 3.681 -12.262 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.432 -14.610 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.117 -13.977 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.123 -14.057 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.020 -13.218 1.685 1.00 0.00 H new ATOM 0 HD22 LEU B 7 5.691 -12.606 1.662 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.326 -11.466 1.645 1.00 0.00 H new ATOM 957 N LYS B 8 6.685 -8.670 -1.920 1.00 0.00 N ATOM 958 CA LYS B 8 7.321 -7.361 -1.664 1.00 0.00 C ATOM 959 C LYS B 8 6.798 -6.235 -2.563 1.00 0.00 C ATOM 960 O LYS B 8 6.789 -5.075 -2.155 1.00 0.00 O ATOM 961 CB LYS B 8 8.859 -7.496 -1.680 1.00 0.00 C ATOM 962 CG LYS B 8 9.537 -7.625 -3.058 1.00 0.00 C ATOM 963 CD LYS B 8 10.026 -6.280 -3.624 1.00 0.00 C ATOM 964 CE LYS B 8 10.873 -6.510 -4.881 1.00 0.00 C ATOM 965 NZ LYS B 8 11.450 -5.238 -5.390 1.00 0.00 N ATOM 0 H LYS B 8 7.282 -9.331 -2.417 1.00 0.00 H new ATOM 0 HA LYS B 8 7.029 -7.050 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.280 -6.626 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.128 -8.370 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.384 -8.306 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS B 8 8.834 -8.073 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS B 8 9.172 -5.646 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.614 -5.753 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS B 8 11.677 -7.211 -4.656 1.00 0.00 H new ATOM 0 HE3 LYS B 8 10.259 -6.968 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 12.017 -5.430 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 10.682 -4.579 -5.628 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.056 -4.814 -4.658 1.00 0.00 H new ATOM 979 N GLY B 9 6.326 -6.563 -3.766 1.00 0.00 N ATOM 980 CA GLY B 9 5.899 -5.592 -4.769 1.00 0.00 C ATOM 981 C GLY B 9 4.463 -5.108 -4.635 1.00 0.00 C ATOM 982 O GLY B 9 4.158 -3.963 -4.957 1.00 0.00 O ATOM 0 H GLY B 9 6.229 -7.530 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.562 -4.728 -4.720 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.025 -6.035 -5.757 1.00 0.00 H new ATOM 986 N GLU B 10 3.594 -5.945 -4.083 1.00 0.00 N ATOM 987 CA GLU B 10 2.247 -5.555 -3.660 1.00 0.00 C ATOM 988 C GLU B 10 2.312 -4.449 -2.591 1.00 0.00 C ATOM 989 O GLU B 10 1.607 -3.445 -2.692 1.00 0.00 O ATOM 990 CB GLU B 10 1.556 -6.812 -3.116 1.00 0.00 C ATOM 991 CG GLU B 10 1.297 -7.920 -4.156 1.00 0.00 C ATOM 992 CD GLU B 10 -0.068 -7.776 -4.807 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.479 -6.795 -5.447 1.00 0.00 O ATOM 994 OE2 GLU B 10 -1.047 -8.524 -4.632 1.00 0.00 O ATOM 0 H GLU B 10 3.804 -6.928 -3.912 1.00 0.00 H new ATOM 0 HA GLU B 10 1.682 -5.149 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.167 -7.225 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.603 -6.521 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.071 -7.886 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.368 -8.895 -3.674 1.00 0.00 H new ATOM 1001 N LEU B 11 3.239 -4.559 -1.631 1.00 0.00 N ATOM 1002 CA LEU B 11 3.556 -3.529 -0.632 1.00 0.00 C ATOM 1003 C LEU B 11 3.968 -2.196 -1.290 1.00 0.00 C ATOM 1004 O LEU B 11 3.543 -1.122 -0.861 1.00 0.00 O ATOM 1005 CB LEU B 11 4.578 -4.154 0.357 1.00 0.00 C ATOM 1006 CG LEU B 11 5.807 -3.307 0.722 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.490 -2.202 1.732 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.904 -4.184 1.329 1.00 0.00 C ATOM 0 H LEU B 11 3.810 -5.398 -1.524 1.00 0.00 H new ATOM 0 HA LEU B 11 2.681 -3.234 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.050 -4.399 1.279 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.929 -5.094 -0.069 1.00 0.00 H new ATOM 0 HG LEU B 11 6.137 -2.849 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.397 -1.638 1.951 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.738 -1.533 1.315 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.109 -2.647 2.651 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.766 -3.566 1.581 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.527 -4.666 2.231 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.202 -4.945 0.608 1.00 0.00 H new ATOM 1020 N GLN B 12 4.716 -2.286 -2.388 1.00 0.00 N ATOM 1021 CA GLN B 12 5.182 -1.175 -3.217 1.00 0.00 C ATOM 1022 C GLN B 12 4.060 -0.532 -4.069 1.00 0.00 C ATOM 1023 O GLN B 12 4.305 0.449 -4.773 1.00 0.00 O ATOM 1024 CB GLN B 12 6.385 -1.656 -4.052 1.00 0.00 C ATOM 1025 CG GLN B 12 7.380 -0.535 -4.390 1.00 0.00 C ATOM 1026 CD GLN B 12 8.651 -1.087 -5.036 1.00 0.00 C ATOM 1027 OE1 GLN B 12 9.463 -1.761 -4.414 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.883 -0.840 -6.307 1.00 0.00 N ATOM 0 H GLN B 12 5.032 -3.188 -2.744 1.00 0.00 H new ATOM 0 HA GLN B 12 5.507 -0.362 -2.567 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.906 -2.442 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN B 12 6.021 -2.100 -4.978 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.909 0.179 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.639 0.008 -3.481 1.00 0.00 H new ATOM 0 HE21 GLN B 12 8.222 -0.281 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.724 -1.207 -6.753 1.00 0.00 H new ATOM 1037 N GLY B 13 2.824 -1.050 -3.986 1.00 0.00 N ATOM 1038 CA GLY B 13 1.602 -0.378 -4.443 1.00 0.00 C ATOM 1039 C GLY B 13 0.674 0.041 -3.293 1.00 0.00 C ATOM 1040 O GLY B 13 0.091 1.124 -3.354 1.00 0.00 O ATOM 0 H GLY B 13 2.645 -1.972 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.875 0.505 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.059 -1.043 -5.115 1.00 0.00 H new ATOM 1044 N ILE B 14 0.566 -0.759 -2.219 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.360 -0.509 -1.088 1.00 0.00 C ATOM 1046 C ILE B 14 -0.171 0.894 -0.486 1.00 0.00 C ATOM 1047 O ILE B 14 -1.141 1.638 -0.317 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.205 -1.611 -0.010 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.844 -2.919 -0.519 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -0.858 -1.235 1.337 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.425 -4.166 0.268 1.00 0.00 C ATOM 0 H ILE B 14 1.122 -1.607 -2.105 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.377 -0.548 -1.478 1.00 0.00 H new ATOM 0 HB ILE B 14 0.864 -1.733 0.165 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.929 -2.822 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.578 -3.057 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.715 -2.047 2.050 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.396 -0.327 1.724 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -1.925 -1.065 1.189 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.917 -5.043 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.656 -4.291 0.204 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.716 -4.052 1.312 1.00 0.00 H new ATOM 1063 N LYS B 15 1.079 1.276 -0.186 1.00 0.00 N ATOM 1064 CA LYS B 15 1.404 2.558 0.459 1.00 0.00 C ATOM 1065 C LYS B 15 1.086 3.780 -0.415 1.00 0.00 C ATOM 1066 O LYS B 15 0.699 4.831 0.096 1.00 0.00 O ATOM 1067 CB LYS B 15 2.880 2.550 0.915 1.00 0.00 C ATOM 1068 CG LYS B 15 2.972 2.730 2.438 1.00 0.00 C ATOM 1069 CD LYS B 15 4.424 2.684 2.932 1.00 0.00 C ATOM 1070 CE LYS B 15 4.455 2.872 4.454 1.00 0.00 C ATOM 1071 NZ LYS B 15 5.844 2.841 4.985 1.00 0.00 N ATOM 0 H LYS B 15 1.898 0.701 -0.385 1.00 0.00 H new ATOM 0 HA LYS B 15 0.758 2.657 1.331 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.352 1.611 0.624 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.426 3.350 0.414 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.523 3.683 2.719 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.395 1.948 2.932 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.880 1.731 2.664 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.009 3.465 2.447 1.00 0.00 H new ATOM 0 HE2 LYS B 15 3.988 3.822 4.713 1.00 0.00 H new ATOM 0 HE3 LYS B 15 3.866 2.088 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.824 2.971 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.281 1.925 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.399 3.605 4.550 1.00 0.00 H new ATOM 1085 N GLN B 16 1.202 3.628 -1.732 1.00 0.00 N ATOM 1086 CA GLN B 16 0.990 4.662 -2.740 1.00 0.00 C ATOM 1087 C GLN B 16 -0.501 4.907 -3.006 1.00 0.00 C ATOM 1088 O GLN B 16 -0.926 6.053 -3.162 1.00 0.00 O ATOM 1089 CB GLN B 16 1.719 4.234 -4.026 1.00 0.00 C ATOM 1090 CG GLN B 16 3.228 4.542 -4.040 1.00 0.00 C ATOM 1091 CD GLN B 16 4.066 3.788 -3.002 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.785 2.665 -2.601 1.00 0.00 O ATOM 1093 NE2 GLN B 16 5.131 4.384 -2.508 1.00 0.00 N ATOM 0 H GLN B 16 1.460 2.732 -2.146 1.00 0.00 H new ATOM 0 HA GLN B 16 1.393 5.607 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.579 3.162 -4.168 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.252 4.732 -4.876 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.618 4.313 -5.032 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.364 5.612 -3.883 1.00 0.00 H new ATOM 0 HE21 GLN B 16 5.386 5.319 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.701 3.911 -1.807 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.316 3.850 -2.968 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.772 3.946 -3.054 1.00 0.00 C ATOM 1104 C TYR B 17 -3.378 4.775 -1.918 1.00 0.00 C ATOM 1105 O TYR B 17 -4.335 5.521 -2.145 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.392 2.543 -3.037 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.358 1.802 -4.361 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.929 2.394 -5.505 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.814 0.504 -4.442 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.941 1.700 -6.726 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.835 -0.201 -5.663 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.401 0.401 -6.809 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.553 -0.301 -7.962 1.00 0.00 O ATOM 0 H TYR B 17 -0.977 2.892 -2.875 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.999 4.453 -3.992 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.872 1.943 -2.290 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.429 2.626 -2.713 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -4.358 3.383 -5.443 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.379 0.048 -3.565 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -4.366 2.163 -7.604 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.420 -1.196 -5.722 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.284 -1.232 -7.816 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.816 4.682 -0.705 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.310 5.457 0.444 1.00 0.00 C ATOM 1125 C ARG B 18 -3.142 6.971 0.258 1.00 0.00 C ATOM 1126 O ARG B 18 -4.045 7.737 0.586 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.665 4.968 1.751 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.628 4.078 2.550 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.022 3.674 3.898 1.00 0.00 C ATOM 1130 NE ARG B 18 -3.996 2.925 4.718 1.00 0.00 N ATOM 1131 CZ ARG B 18 -3.878 2.608 5.995 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -2.817 2.908 6.690 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -4.838 1.977 6.608 1.00 0.00 N ATOM 0 H ARG B 18 -2.021 4.079 -0.493 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.384 5.281 0.509 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.756 4.411 1.524 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.371 5.825 2.357 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.566 4.609 2.715 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.865 3.184 1.973 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.135 3.062 3.732 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.699 4.565 4.436 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.849 2.621 4.249 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.042 3.404 6.249 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.762 2.647 7.674 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.687 1.725 6.102 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -4.741 1.735 7.594 1.00 0.00 H new ATOM 1147 N GLU B 19 -2.024 7.401 -0.331 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.782 8.798 -0.718 1.00 0.00 C ATOM 1149 C GLU B 19 -2.704 9.254 -1.863 1.00 0.00 C ATOM 1150 O GLU B 19 -3.171 10.395 -1.877 1.00 0.00 O ATOM 1151 CB GLU B 19 -0.312 8.943 -1.149 1.00 0.00 C ATOM 1152 CG GLU B 19 0.541 9.664 -0.101 1.00 0.00 C ATOM 1153 CD GLU B 19 1.992 9.826 -0.593 1.00 0.00 C ATOM 1154 OE1 GLU B 19 2.309 10.857 -1.236 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.832 8.929 -0.333 1.00 0.00 O ATOM 0 H GLU B 19 -1.247 6.780 -0.557 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.999 9.431 0.142 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.107 7.954 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -0.266 9.492 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.113 10.644 0.111 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.530 9.102 0.833 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.992 8.364 -2.815 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.843 8.651 -3.965 1.00 0.00 C ATOM 1164 C ALA B 20 -5.318 8.867 -3.573 1.00 0.00 C ATOM 1165 O ALA B 20 -5.983 9.734 -4.145 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.672 7.512 -4.976 1.00 0.00 C ATOM 0 H ALA B 20 -2.633 7.409 -2.806 1.00 0.00 H new ATOM 0 HA ALA B 20 -3.534 9.594 -4.416 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -4.299 7.702 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.628 7.454 -5.285 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.967 6.569 -4.515 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.830 8.146 -2.563 1.00 0.00 N ATOM 1173 CA LEU B 21 -7.163 8.414 -2.010 1.00 0.00 C ATOM 1174 C LEU B 21 -7.253 9.790 -1.348 1.00 0.00 C ATOM 1175 O LEU B 21 -8.276 10.451 -1.483 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.583 7.323 -1.015 1.00 0.00 C ATOM 1177 CG LEU B 21 -9.014 7.471 -0.467 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -10.053 7.214 -1.549 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.270 6.465 0.650 1.00 0.00 C ATOM 0 H LEU B 21 -5.339 7.373 -2.114 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.853 8.406 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.493 6.352 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.885 7.326 -0.178 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.101 8.493 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -11.052 7.327 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.918 7.929 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.934 6.201 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.287 6.587 1.023 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -9.144 5.453 0.265 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.563 6.635 1.462 1.00 0.00 H new ATOM 1191 N GLU B 22 -6.212 10.274 -0.671 1.00 0.00 N ATOM 1192 CA GLU B 22 -6.260 11.611 -0.062 1.00 0.00 C ATOM 1193 C GLU B 22 -6.456 12.737 -1.098 1.00 0.00 C ATOM 1194 O GLU B 22 -7.107 13.744 -0.812 1.00 0.00 O ATOM 1195 CB GLU B 22 -5.006 11.841 0.788 1.00 0.00 C ATOM 1196 CG GLU B 22 -5.189 11.276 2.204 1.00 0.00 C ATOM 1197 CD GLU B 22 -4.001 11.643 3.112 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -3.975 12.763 3.663 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -3.077 10.800 3.288 1.00 0.00 O ATOM 0 H GLU B 22 -5.335 9.772 -0.529 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.138 11.647 0.582 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -4.148 11.367 0.312 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.791 12.908 0.844 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.112 11.663 2.636 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -5.290 10.192 2.155 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.957 12.527 -2.320 1.00 0.00 N ATOM 1207 CA TYR B 23 -6.125 13.414 -3.481 1.00 0.00 C ATOM 1208 C TYR B 23 -7.460 13.279 -4.253 1.00 0.00 C ATOM 1209 O TYR B 23 -7.731 14.104 -5.130 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.923 13.217 -4.425 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.949 14.378 -4.374 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -3.118 14.549 -3.248 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -3.913 15.314 -5.427 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -2.252 15.658 -3.173 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -3.046 16.422 -5.358 1.00 0.00 C ATOM 1216 CZ TYR B 23 -2.215 16.599 -4.227 1.00 0.00 C ATOM 1217 OH TYR B 23 -1.385 17.675 -4.144 1.00 0.00 O ATOM 0 H TYR B 23 -5.401 11.700 -2.539 1.00 0.00 H new ATOM 0 HA TYR B 23 -6.164 14.428 -3.082 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -4.402 12.298 -4.158 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -5.283 13.094 -5.446 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -3.145 13.830 -2.443 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -4.551 15.182 -6.288 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -1.616 15.789 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -3.016 17.136 -6.168 1.00 0.00 H new ATOM 0 HH TYR B 23 -1.479 18.224 -4.950 1.00 0.00 H new ATOM 1227 N THR B 24 -8.301 12.277 -3.959 1.00 0.00 N ATOM 1228 CA THR B 24 -9.495 11.928 -4.778 1.00 0.00 C ATOM 1229 C THR B 24 -10.763 11.641 -3.963 1.00 0.00 C ATOM 1230 O THR B 24 -11.880 11.858 -4.435 1.00 0.00 O ATOM 1231 CB THR B 24 -9.215 10.689 -5.646 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.856 9.600 -4.829 1.00 0.00 O ATOM 1233 CG2 THR B 24 -8.101 10.891 -6.671 1.00 0.00 C ATOM 0 H THR B 24 -8.181 11.676 -3.144 1.00 0.00 H new ATOM 0 HA THR B 24 -9.679 12.816 -5.383 1.00 0.00 H new ATOM 0 HB THR B 24 -10.140 10.500 -6.191 1.00 0.00 H new ATOM 0 HG1 THR B 24 -7.896 9.638 -4.637 1.00 0.00 H new ATOM 0 HG21 THR B 24 -7.963 9.974 -7.244 1.00 0.00 H new ATOM 0 HG22 THR B 24 -8.371 11.703 -7.346 1.00 0.00 H new ATOM 0 HG23 THR B 24 -7.173 11.140 -6.156 1.00 0.00 H new ATOM 1241 N HIS B 25 -10.593 11.159 -2.733 1.00 0.00 N ATOM 1242 CA HIS B 25 -11.576 10.570 -1.813 1.00 0.00 C ATOM 1243 C HIS B 25 -12.533 9.496 -2.420 1.00 0.00 C ATOM 1244 O HIS B 25 -13.538 9.143 -1.799 1.00 0.00 O ATOM 1245 CB HIS B 25 -12.267 11.678 -0.994 1.00 0.00 C ATOM 1246 CG HIS B 25 -11.431 12.052 0.208 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -11.512 11.464 1.462 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -10.378 12.925 0.226 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -10.532 11.982 2.231 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.836 12.878 1.501 1.00 0.00 N ATOM 0 H HIS B 25 -9.666 11.171 -2.308 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.012 9.949 -1.117 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -12.425 12.556 -1.621 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -13.250 11.337 -0.668 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -10.034 13.535 -0.597 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.337 11.722 3.261 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -9.044 13.429 1.832 1.00 0.00 H new ATOM 1259 N ASN B 26 -12.259 8.967 -3.624 1.00 0.00 N ATOM 1260 CA ASN B 26 -13.122 8.023 -4.363 1.00 0.00 C ATOM 1261 C ASN B 26 -13.143 6.593 -3.763 1.00 0.00 C ATOM 1262 O ASN B 26 -12.087 6.057 -3.423 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.678 8.009 -5.843 1.00 0.00 C ATOM 1264 CG ASN B 26 -13.183 9.204 -6.638 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -12.429 10.067 -7.059 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -14.469 9.292 -6.896 1.00 0.00 N ATOM 0 H ASN B 26 -11.402 9.191 -4.129 1.00 0.00 H new ATOM 0 HA ASN B 26 -14.151 8.373 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.589 7.987 -5.887 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -13.035 7.093 -6.313 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -14.827 10.075 -7.443 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -15.109 8.577 -6.550 1.00 0.00 H new ATOM 1273 N PRO B 27 -14.309 5.907 -3.717 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.451 4.581 -3.092 1.00 0.00 C ATOM 1275 C PRO B 27 -13.686 3.474 -3.832 1.00 0.00 C ATOM 1276 O PRO B 27 -13.416 2.407 -3.279 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.958 4.296 -3.088 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.470 5.075 -4.299 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.585 6.320 -4.294 1.00 0.00 C ATOM 0 HA PRO B 27 -14.021 4.588 -2.090 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -16.165 3.230 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.428 4.634 -2.165 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.363 4.505 -5.222 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.526 5.328 -4.201 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -15.449 6.706 -5.304 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -16.038 7.118 -3.706 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.325 3.721 -5.090 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.621 2.763 -5.951 1.00 0.00 C ATOM 1289 C VAL B 28 -11.178 2.527 -5.505 1.00 0.00 C ATOM 1290 O VAL B 28 -10.773 1.375 -5.375 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.686 3.224 -7.411 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -12.184 2.124 -8.331 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -14.106 3.593 -7.871 1.00 0.00 C ATOM 0 H VAL B 28 -13.516 4.610 -5.552 1.00 0.00 H new ATOM 0 HA VAL B 28 -13.128 1.802 -5.862 1.00 0.00 H new ATOM 0 HB VAL B 28 -12.061 4.115 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -12.235 2.463 -9.366 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -11.152 1.882 -8.079 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.805 1.236 -8.209 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -14.080 3.911 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.758 2.725 -7.772 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -14.489 4.406 -7.254 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.408 3.576 -5.186 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.052 3.417 -4.658 1.00 0.00 C ATOM 1305 C LEU B 29 -9.067 2.715 -3.295 1.00 0.00 C ATOM 1306 O LEU B 29 -8.200 1.883 -3.025 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.354 4.779 -4.549 1.00 0.00 C ATOM 1308 CG LEU B 29 -8.074 5.468 -5.892 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -9.231 6.372 -6.316 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.827 6.338 -5.783 1.00 0.00 C ATOM 0 H LEU B 29 -10.705 4.547 -5.286 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.493 2.792 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.970 5.440 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.410 4.646 -4.021 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.940 4.679 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.995 6.841 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -10.139 5.777 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -9.386 7.143 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -6.637 6.823 -6.741 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.979 7.097 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.972 5.717 -5.514 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.089 2.992 -2.476 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.334 2.260 -1.239 1.00 0.00 C ATOM 1324 C ALA B 30 -10.561 0.758 -1.503 1.00 0.00 C ATOM 1325 O ALA B 30 -9.906 -0.055 -0.862 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.494 2.911 -0.477 1.00 0.00 C ATOM 0 H ALA B 30 -10.767 3.732 -2.658 1.00 0.00 H new ATOM 0 HA ALA B 30 -9.446 2.317 -0.609 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -11.676 2.362 0.447 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.240 3.945 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.392 2.890 -1.094 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.391 0.365 -2.484 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.590 -1.045 -2.890 1.00 0.00 C ATOM 1334 C LYS B 31 -10.309 -1.722 -3.382 1.00 0.00 C ATOM 1335 O LYS B 31 -10.042 -2.865 -3.018 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.682 -1.118 -3.980 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.434 -2.461 -3.994 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.514 -2.563 -2.903 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.718 -1.663 -3.221 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.743 -1.714 -2.147 1.00 0.00 N ATOM 0 H LYS B 31 -11.951 1.022 -3.027 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.903 -1.592 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -13.397 -0.310 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.224 -0.955 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.899 -2.599 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -12.718 -3.272 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.845 -3.598 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.089 -2.278 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -15.379 -0.635 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.165 -1.974 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.540 -1.094 -2.398 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -17.085 -2.690 -2.039 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.323 -1.393 -1.251 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.496 -0.999 -4.153 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.193 -1.470 -4.647 1.00 0.00 C ATOM 1356 C ILE B 32 -7.294 -1.818 -3.462 1.00 0.00 C ATOM 1357 O ILE B 32 -6.965 -2.988 -3.267 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.537 -0.461 -5.604 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.326 -0.262 -6.915 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.159 -1.014 -5.986 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.935 1.033 -7.644 1.00 0.00 C ATOM 0 H ILE B 32 -9.724 -0.053 -4.459 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.349 -2.373 -5.237 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.495 0.499 -5.089 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.152 -1.113 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.393 -0.243 -6.694 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.665 -0.321 -6.666 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.554 -1.135 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.278 -1.980 -6.476 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.519 1.125 -8.560 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.135 1.888 -6.999 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.874 1.005 -7.891 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.947 -0.831 -2.630 1.00 0.00 N ATOM 1374 CA LEU B 33 -6.063 -1.066 -1.487 1.00 0.00 C ATOM 1375 C LEU B 33 -6.678 -1.968 -0.411 1.00 0.00 C ATOM 1376 O LEU B 33 -5.944 -2.635 0.316 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.509 0.260 -0.954 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.487 1.172 -0.188 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -6.535 0.853 1.309 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -6.074 2.637 -0.334 1.00 0.00 C ATOM 0 H LEU B 33 -7.264 0.134 -2.727 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.211 -1.645 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.670 0.036 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.111 0.824 -1.798 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.471 0.994 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -7.239 1.524 1.802 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.857 -0.179 1.451 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.543 0.986 1.741 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.774 3.269 0.212 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -5.071 2.774 0.069 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.082 2.914 -1.388 1.00 0.00 H new ATOM 1392 N GLU B 34 -8.010 -2.036 -0.339 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.703 -2.994 0.524 1.00 0.00 C ATOM 1394 C GLU B 34 -8.429 -4.435 0.080 1.00 0.00 C ATOM 1395 O GLU B 34 -8.167 -5.289 0.926 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.210 -2.702 0.603 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.966 -3.665 1.526 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.425 -3.206 1.722 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -13.295 -3.558 0.888 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.715 -2.499 2.717 1.00 0.00 O ATOM 0 H GLU B 34 -8.634 -1.432 -0.874 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.304 -2.877 1.531 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.357 -1.681 0.955 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.637 -2.759 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.950 -4.669 1.102 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.464 -3.719 2.492 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.423 -4.718 -1.228 1.00 0.00 N ATOM 1408 CA ASP B 35 -8.094 -6.057 -1.722 1.00 0.00 C ATOM 1409 C ASP B 35 -6.608 -6.406 -1.585 1.00 0.00 C ATOM 1410 O ASP B 35 -6.273 -7.499 -1.125 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.469 -6.200 -3.195 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.947 -6.027 -3.568 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.840 -6.362 -2.750 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -10.193 -5.623 -4.731 1.00 0.00 O ATOM 0 H ASP B 35 -8.641 -4.041 -1.959 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.671 -6.742 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.891 -5.470 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -8.151 -7.188 -3.529 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.706 -5.479 -1.927 1.00 0.00 N ATOM 1420 CA GLU B 36 -4.258 -5.671 -1.781 1.00 0.00 C ATOM 1421 C GLU B 36 -3.842 -6.010 -0.338 1.00 0.00 C ATOM 1422 O GLU B 36 -2.812 -6.652 -0.131 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.516 -4.399 -2.227 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.748 -3.902 -3.662 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.197 -4.820 -4.747 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.820 -5.990 -4.492 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.156 -4.447 -5.944 1.00 0.00 O ATOM 0 H GLU B 36 -5.961 -4.571 -2.315 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.989 -6.519 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.791 -3.594 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.447 -4.573 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.819 -3.776 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -3.292 -2.918 -3.770 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.657 -5.639 0.656 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.401 -5.964 2.065 1.00 0.00 C ATOM 1436 C GLU B 37 -4.525 -7.475 2.331 1.00 0.00 C ATOM 1437 O GLU B 37 -3.758 -8.035 3.119 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.369 -5.174 2.959 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.949 -5.155 4.439 1.00 0.00 C ATOM 1440 CD GLU B 37 -6.035 -5.754 5.355 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.154 -6.995 5.440 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -6.777 -4.975 6.012 1.00 0.00 O ATOM 0 H GLU B 37 -5.513 -5.105 0.507 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.376 -5.679 2.302 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.436 -4.149 2.594 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.366 -5.608 2.876 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.022 -5.716 4.560 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.743 -4.129 4.744 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.440 -8.150 1.616 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.554 -9.613 1.620 1.00 0.00 C ATOM 1451 C LYS B 38 -4.500 -10.254 0.738 1.00 0.00 C ATOM 1452 O LYS B 38 -3.878 -11.212 1.174 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.925 -10.114 1.137 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.102 -9.713 2.028 1.00 0.00 C ATOM 1455 CD LYS B 38 -8.821 -8.459 1.526 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.879 -8.771 0.457 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.177 -9.166 1.068 1.00 0.00 N ATOM 0 H LYS B 38 -6.125 -7.690 1.016 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.416 -9.901 2.662 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.102 -9.733 0.131 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.895 -11.201 1.066 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.812 -10.538 2.079 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.742 -9.539 3.042 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.298 -7.957 2.368 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -8.088 -7.765 1.115 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -10.026 -7.896 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.520 -9.574 -0.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.867 -9.369 0.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.041 -10.016 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.531 -8.390 1.663 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.300 -9.747 -0.482 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.558 -10.386 -1.561 1.00 0.00 C ATOM 1473 C HIS B 39 -2.202 -10.975 -1.158 1.00 0.00 C ATOM 1474 O HIS B 39 -1.903 -12.113 -1.517 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.349 -9.326 -2.630 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.485 -9.039 -3.562 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.324 -8.338 -4.758 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.789 -9.409 -3.415 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.556 -8.285 -5.298 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.449 -8.934 -4.526 1.00 0.00 N ATOM 0 H HIS B 39 -4.671 -8.836 -0.752 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.142 -11.241 -1.902 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -3.083 -8.395 -2.130 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.489 -9.622 -3.231 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.218 -9.963 -2.593 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.796 -7.788 -6.226 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.441 -9.053 -4.729 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.405 -10.219 -0.398 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.086 -10.679 0.073 1.00 0.00 C ATOM 1490 C ILE B 40 -0.214 -11.940 0.938 1.00 0.00 C ATOM 1491 O ILE B 40 0.486 -12.926 0.711 1.00 0.00 O ATOM 1492 CB ILE B 40 0.648 -9.547 0.834 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.921 -8.368 -0.121 1.00 0.00 C ATOM 1494 CG2 ILE B 40 1.979 -10.046 1.425 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.558 -7.137 0.540 1.00 0.00 C ATOM 0 H ILE B 40 -1.649 -9.277 -0.091 1.00 0.00 H new ATOM 0 HA ILE B 40 0.512 -10.941 -0.800 1.00 0.00 H new ATOM 0 HB ILE B 40 0.008 -9.220 1.653 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.575 -8.712 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.019 -8.069 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.471 -9.229 1.953 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.785 -10.863 2.120 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.624 -10.399 0.621 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.712 -6.361 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE B 40 0.898 -6.761 1.321 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.517 -7.414 0.978 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.128 -11.935 1.908 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.370 -13.095 2.768 1.00 0.00 C ATOM 1509 C GLU B 41 -2.130 -14.211 2.037 1.00 0.00 C ATOM 1510 O GLU B 41 -1.814 -15.383 2.217 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.081 -12.657 4.061 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.311 -13.153 5.291 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.957 -12.656 6.598 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.843 -13.356 7.150 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -1.576 -11.569 7.093 1.00 0.00 O ATOM 0 H GLU B 41 -1.719 -11.131 2.120 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.405 -13.522 3.040 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -2.161 -11.570 4.089 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -3.097 -13.052 4.076 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.283 -14.243 5.289 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.279 -12.807 5.239 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.058 -13.864 1.140 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.738 -14.780 0.225 1.00 0.00 C ATOM 1524 C TRP B 42 -2.764 -15.624 -0.600 1.00 0.00 C ATOM 1525 O TRP B 42 -2.956 -16.838 -0.680 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.695 -13.964 -0.663 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.078 -13.742 -0.140 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.534 -14.089 1.085 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.203 -13.113 -0.826 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.875 -13.767 1.185 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.339 -13.154 0.037 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.369 -12.485 -2.081 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.580 -12.612 -0.334 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.602 -11.919 -2.455 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.709 -11.991 -1.590 1.00 0.00 C ATOM 0 H TRP B 42 -3.367 -12.898 1.029 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.310 -15.501 0.809 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.241 -12.990 -0.846 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.773 -14.465 -1.628 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.943 -14.547 1.864 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.451 -13.958 2.005 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.535 -12.439 -2.765 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.425 -12.671 0.336 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.699 -11.427 -3.411 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.657 -11.570 -1.890 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.697 -15.036 -1.157 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.717 -15.820 -1.916 1.00 0.00 C ATOM 1548 C LEU B 43 0.290 -16.569 -1.016 1.00 0.00 C ATOM 1549 O LEU B 43 0.787 -17.628 -1.399 1.00 0.00 O ATOM 1550 CB LEU B 43 -0.119 -14.969 -3.045 1.00 0.00 C ATOM 1551 CG LEU B 43 1.103 -14.149 -2.633 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.395 -14.860 -3.021 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.086 -12.794 -3.321 1.00 0.00 C ATOM 0 H LEU B 43 -1.493 -14.038 -1.098 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.227 -16.645 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.159 -15.624 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.887 -14.292 -3.420 1.00 0.00 H new ATOM 0 HG LEU B 43 1.063 -14.026 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.249 -14.255 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.441 -15.829 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.420 -15.005 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.962 -12.221 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.100 -12.935 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.183 -12.253 -3.037 1.00 0.00 H new ATOM 1565 N GLU B 44 0.553 -16.075 0.199 1.00 0.00 N ATOM 1566 CA GLU B 44 1.406 -16.756 1.183 1.00 0.00 C ATOM 1567 C GLU B 44 0.736 -18.003 1.797 1.00 0.00 C ATOM 1568 O GLU B 44 1.389 -19.039 1.930 1.00 0.00 O ATOM 1569 CB GLU B 44 1.826 -15.777 2.295 1.00 0.00 C ATOM 1570 CG GLU B 44 3.052 -16.292 3.067 1.00 0.00 C ATOM 1571 CD GLU B 44 3.303 -15.487 4.357 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.596 -14.273 4.286 1.00 0.00 O ATOM 1573 OE2 GLU B 44 3.221 -16.075 5.468 1.00 0.00 O ATOM 0 H GLU B 44 0.178 -15.186 0.530 1.00 0.00 H new ATOM 0 HA GLU B 44 2.289 -17.102 0.647 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.052 -14.804 1.858 1.00 0.00 H new ATOM 0 HB3 GLU B 44 0.995 -15.631 2.985 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.907 -17.343 3.318 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.933 -16.236 2.427 1.00 0.00 H new ATOM 1580 N THR B 45 -0.565 -17.949 2.121 1.00 0.00 N ATOM 1581 CA THR B 45 -1.320 -19.053 2.757 1.00 0.00 C ATOM 1582 C THR B 45 -1.273 -20.366 1.960 1.00 0.00 C ATOM 1583 O THR B 45 -1.381 -21.449 2.542 1.00 0.00 O ATOM 1584 CB THR B 45 -2.774 -18.604 3.010 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.773 -17.632 4.036 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.736 -19.697 3.484 1.00 0.00 C ATOM 0 H THR B 45 -1.138 -17.123 1.947 1.00 0.00 H new ATOM 0 HA THR B 45 -0.833 -19.274 3.707 1.00 0.00 H new ATOM 0 HB THR B 45 -3.125 -18.251 2.040 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.480 -16.771 3.671 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.728 -19.270 3.630 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.787 -20.487 2.734 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.378 -20.113 4.426 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.074 -20.292 0.640 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.007 -21.454 -0.258 1.00 0.00 C ATOM 1596 C ILE B 46 0.193 -22.366 0.065 1.00 0.00 C ATOM 1597 O ILE B 46 0.025 -23.583 0.182 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.956 -21.005 -1.739 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.935 -19.846 -2.049 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.258 -22.224 -2.624 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -1.947 -19.384 -3.508 1.00 0.00 C ATOM 0 H ILE B 46 -0.952 -19.404 0.154 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.916 -22.034 -0.097 1.00 0.00 H new ATOM 0 HB ILE B 46 0.041 -20.617 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.943 -20.158 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.680 -18.996 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.227 -21.929 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.513 -22.999 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.249 -22.611 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -2.663 -18.570 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -0.953 -19.036 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -2.234 -20.216 -4.151 1.00 0.00 H new ATOM 1613 N LEU B 47 1.390 -21.780 0.224 1.00 0.00 N ATOM 1614 CA LEU B 47 2.653 -22.472 0.558 1.00 0.00 C ATOM 1615 C LEU B 47 3.792 -21.520 0.992 1.00 0.00 C ATOM 1616 O LEU B 47 4.636 -21.911 1.801 1.00 0.00 O ATOM 1617 CB LEU B 47 3.099 -23.390 -0.606 1.00 0.00 C ATOM 1618 CG LEU B 47 3.426 -22.680 -1.939 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.933 -22.626 -2.186 1.00 0.00 C ATOM 1620 CD2 LEU B 47 2.801 -23.416 -3.123 1.00 0.00 C ATOM 0 H LEU B 47 1.514 -20.773 0.120 1.00 0.00 H new ATOM 0 HA LEU B 47 2.440 -23.087 1.432 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.981 -23.946 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU B 47 2.311 -24.120 -0.790 1.00 0.00 H new ATOM 0 HG LEU B 47 3.019 -21.672 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU B 47 5.129 -22.120 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU B 47 5.415 -22.079 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.331 -23.640 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.048 -22.894 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU B 47 3.190 -24.433 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU B 47 1.718 -23.447 -3.002 1.00 0.00 H new ATOM 1632 N GLY B 48 3.811 -20.271 0.504 1.00 0.00 N ATOM 1633 CA GLY B 48 4.636 -19.177 1.048 1.00 0.00 C ATOM 1634 C GLY B 48 6.153 -19.270 0.812 1.00 0.00 C ATOM 1635 O GLY B 48 6.931 -18.612 1.501 1.00 0.00 O ATOM 0 H GLY B 48 3.244 -19.985 -0.294 1.00 0.00 H new ATOM 0 HA2 GLY B 48 4.282 -18.239 0.620 1.00 0.00 H new ATOM 0 HA3 GLY B 48 4.462 -19.122 2.123 1.00 0.00 H new HETATM 1639 N NH2 B 49 6.612 -20.073 -0.138 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.152 -4.496 -7.662 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -2.193 -7.378 -5.303 1.00 0.00 ZN