USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 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= -0.0116 X(o=-0.012,f=-0.39) USER MOD Single : A 17 TYR OH : rot -176:sc= 0.00301 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 170:sc= 0.158 USER MOD Single : A 25 HIS : no HD1:sc= 0.0101 X(o=0.01,f=-0.17) USER MOD Single : A 26 ASN : amide:sc= 0.577 K(o=0.58,f=-0.22) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 1.67 (180deg=0.608) USER MOD Single : A 39 HIS : +bothHN:sc= 0.196 K(o=0.2,f=-5.2!) USER MOD Single : A 45 THR OG1 : rot 79:sc= 0.157 USER MOD Single : B 1 ASP N :NH3+ -172:sc= -0.0195 (180deg=-0.0849) 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= 1.18 K(o=1.2,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 17 TYR OH : rot -176:sc= 0.53 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -73:sc= 0.91 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN :FLIP amide:sc= 0.164 F(o=-0.4,f=0.16) 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 39 HIS : +bothHN:sc= 0.452 K(o=0.45,f=-5.7!) USER MOD Single : B 45 THR OG1 : rot 77:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 2 3.405 8.764 -8.875 1.00 0.00 N ATOM 20 CA TYR A 2 2.811 7.562 -8.274 1.00 0.00 C ATOM 21 C TYR A 2 1.968 6.738 -9.261 1.00 0.00 C ATOM 22 O TYR A 2 2.066 5.515 -9.283 1.00 0.00 O ATOM 23 CB TYR A 2 2.005 7.957 -7.024 1.00 0.00 C ATOM 24 CG TYR A 2 0.714 8.723 -7.256 1.00 0.00 C ATOM 25 CD1 TYR A 2 0.727 10.124 -7.426 1.00 0.00 C ATOM 26 CD2 TYR A 2 -0.511 8.028 -7.282 1.00 0.00 C ATOM 27 CE1 TYR A 2 -0.477 10.820 -7.656 1.00 0.00 C ATOM 28 CE2 TYR A 2 -1.714 8.721 -7.509 1.00 0.00 C ATOM 29 CZ TYR A 2 -1.699 10.118 -7.708 1.00 0.00 C ATOM 30 OH TYR A 2 -2.856 10.782 -7.974 1.00 0.00 O ATOM 0 HA TYR A 2 3.628 6.903 -7.982 1.00 0.00 H new ATOM 0 HB2 TYR A 2 1.766 7.048 -6.472 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.647 8.560 -6.382 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.661 10.664 -7.380 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.527 6.959 -7.127 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.464 11.891 -7.792 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.650 8.183 -7.531 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.604 10.149 -7.974 1.00 0.00 H new ATOM 40 N LEU A 3 1.199 7.393 -10.135 1.00 0.00 N ATOM 41 CA LEU A 3 0.347 6.749 -11.153 1.00 0.00 C ATOM 42 C LEU A 3 1.162 5.992 -12.203 1.00 0.00 C ATOM 43 O LEU A 3 0.762 4.906 -12.617 1.00 0.00 O ATOM 44 CB LEU A 3 -0.521 7.797 -11.871 1.00 0.00 C ATOM 45 CG LEU A 3 -1.551 8.475 -10.963 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.197 9.650 -11.693 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.659 7.516 -10.512 1.00 0.00 C ATOM 0 H LEU A 3 1.146 8.411 -10.159 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.280 6.034 -10.621 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.128 8.560 -12.301 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.041 7.317 -12.700 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.012 8.815 -10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.928 10.126 -11.040 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.430 10.374 -11.968 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.695 9.290 -12.593 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.362 8.048 -9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.185 7.131 -11.386 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.219 6.686 -9.958 1.00 0.00 H new ATOM 59 N ARG A 4 2.315 6.533 -12.610 1.00 0.00 N ATOM 60 CA ARG A 4 3.268 5.819 -13.478 1.00 0.00 C ATOM 61 C ARG A 4 3.821 4.580 -12.777 1.00 0.00 C ATOM 62 O ARG A 4 3.881 3.516 -13.390 1.00 0.00 O ATOM 63 CB ARG A 4 4.381 6.772 -13.951 1.00 0.00 C ATOM 64 CG ARG A 4 5.482 6.048 -14.749 1.00 0.00 C ATOM 65 CD ARG A 4 6.468 7.028 -15.396 1.00 0.00 C ATOM 66 NE ARG A 4 5.893 7.673 -16.594 1.00 0.00 N ATOM 67 CZ ARG A 4 6.497 8.544 -17.384 1.00 0.00 C ATOM 68 NH1 ARG A 4 7.699 8.984 -17.140 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.897 8.989 -18.450 1.00 0.00 N ATOM 0 H ARG A 4 2.616 7.472 -12.351 1.00 0.00 H new ATOM 0 HA ARG A 4 2.743 5.469 -14.366 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.944 7.556 -14.570 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.827 7.261 -13.085 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.025 5.374 -14.087 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.023 5.433 -15.523 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.749 7.792 -14.671 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.380 6.498 -15.671 1.00 0.00 H new ATOM 0 HE ARG A 4 4.935 7.421 -16.836 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.205 8.656 -16.317 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.134 9.656 -17.772 1.00 0.00 H new ATOM 0 HH21 ARG A 4 4.957 8.666 -18.679 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.367 9.661 -19.057 1.00 0.00 H new ATOM 83 N GLU A 5 4.176 4.688 -11.497 1.00 0.00 N ATOM 84 CA GLU A 5 4.684 3.540 -10.728 1.00 0.00 C ATOM 85 C GLU A 5 3.611 2.447 -10.549 1.00 0.00 C ATOM 86 O GLU A 5 3.888 1.256 -10.710 1.00 0.00 O ATOM 87 CB GLU A 5 5.248 4.035 -9.388 1.00 0.00 C ATOM 88 CG GLU A 5 6.069 2.946 -8.687 1.00 0.00 C ATOM 89 CD GLU A 5 6.797 3.482 -7.440 1.00 0.00 C ATOM 90 OE1 GLU A 5 7.664 4.380 -7.565 1.00 0.00 O ATOM 91 OE2 GLU A 5 6.558 2.951 -6.329 1.00 0.00 O ATOM 0 H GLU A 5 4.123 5.557 -10.966 1.00 0.00 H new ATOM 0 HA GLU A 5 5.492 3.068 -11.287 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.873 4.912 -9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.429 4.348 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.411 2.126 -8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.800 2.537 -9.385 1.00 0.00 H new ATOM 98 N LEU A 6 2.366 2.866 -10.301 1.00 0.00 N ATOM 99 CA LEU A 6 1.162 2.034 -10.247 1.00 0.00 C ATOM 100 C LEU A 6 0.897 1.295 -11.568 1.00 0.00 C ATOM 101 O LEU A 6 0.888 0.063 -11.601 1.00 0.00 O ATOM 102 CB LEU A 6 -0.021 2.958 -9.865 1.00 0.00 C ATOM 103 CG LEU A 6 -0.089 3.339 -8.377 1.00 0.00 C ATOM 104 CD1 LEU A 6 -1.230 4.325 -8.131 1.00 0.00 C ATOM 105 CD2 LEU A 6 -0.334 2.124 -7.504 1.00 0.00 C ATOM 0 H LEU A 6 2.161 3.849 -10.123 1.00 0.00 H new ATOM 0 HA LEU A 6 1.293 1.250 -9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.044 3.871 -10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.953 2.465 -10.142 1.00 0.00 H new ATOM 0 HG LEU A 6 0.871 3.788 -8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.265 4.585 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.065 5.227 -8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.175 3.868 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.376 2.430 -6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.279 1.659 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.477 1.409 -7.640 1.00 0.00 H new ATOM 117 N LEU A 7 0.703 2.027 -12.668 1.00 0.00 N ATOM 118 CA LEU A 7 0.313 1.470 -13.967 1.00 0.00 C ATOM 119 C LEU A 7 1.403 0.637 -14.650 1.00 0.00 C ATOM 120 O LEU A 7 1.084 -0.391 -15.256 1.00 0.00 O ATOM 121 CB LEU A 7 -0.188 2.610 -14.878 1.00 0.00 C ATOM 122 CG LEU A 7 -1.693 2.855 -14.654 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.074 4.326 -14.792 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.504 2.048 -15.665 1.00 0.00 C ATOM 0 H LEU A 7 0.814 3.041 -12.682 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.493 0.760 -13.782 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.370 3.523 -14.670 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.006 2.356 -15.922 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.915 2.541 -13.634 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.145 4.442 -14.625 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.526 4.914 -14.056 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.824 4.674 -15.794 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.567 2.225 -15.502 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.235 2.356 -16.676 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.289 0.987 -15.540 1.00 0.00 H new ATOM 136 N LYS A 8 2.685 1.016 -14.528 1.00 0.00 N ATOM 137 CA LYS A 8 3.808 0.200 -15.037 1.00 0.00 C ATOM 138 C LYS A 8 3.960 -1.119 -14.262 1.00 0.00 C ATOM 139 O LYS A 8 4.416 -2.116 -14.821 1.00 0.00 O ATOM 140 CB LYS A 8 5.110 1.028 -15.001 1.00 0.00 C ATOM 141 CG LYS A 8 6.159 0.518 -16.007 1.00 0.00 C ATOM 142 CD LYS A 8 7.587 0.999 -15.707 1.00 0.00 C ATOM 143 CE LYS A 8 7.733 2.526 -15.664 1.00 0.00 C ATOM 144 NZ LYS A 8 9.140 2.921 -15.382 1.00 0.00 N ATOM 0 H LYS A 8 2.974 1.885 -14.080 1.00 0.00 H new ATOM 0 HA LYS A 8 3.591 -0.073 -16.070 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.880 2.071 -15.218 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.530 0.996 -13.995 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.146 -0.572 -16.011 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.878 0.844 -17.008 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.905 0.586 -14.750 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.261 0.601 -16.466 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.416 2.952 -16.616 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.076 2.936 -14.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.211 3.958 -15.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.432 2.533 -14.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.761 2.548 -16.128 1.00 0.00 H new ATOM 158 N GLY A 9 3.559 -1.143 -12.983 1.00 0.00 N ATOM 159 CA GLY A 9 3.879 -2.197 -12.031 1.00 0.00 C ATOM 160 C GLY A 9 2.774 -3.183 -11.693 1.00 0.00 C ATOM 161 O GLY A 9 3.051 -4.367 -11.507 1.00 0.00 O ATOM 0 H GLY A 9 2.986 -0.403 -12.578 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.727 -2.760 -12.422 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.208 -1.727 -11.104 1.00 0.00 H new ATOM 165 N GLU A 10 1.516 -2.754 -11.665 1.00 0.00 N ATOM 166 CA GLU A 10 0.399 -3.692 -11.432 1.00 0.00 C ATOM 167 C GLU A 10 0.286 -4.747 -12.544 1.00 0.00 C ATOM 168 O GLU A 10 -0.074 -5.894 -12.266 1.00 0.00 O ATOM 169 CB GLU A 10 -0.933 -2.942 -11.284 1.00 0.00 C ATOM 170 CG GLU A 10 -1.119 -2.189 -9.956 1.00 0.00 C ATOM 171 CD GLU A 10 -1.859 -3.049 -8.931 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.450 -4.110 -8.428 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.041 -2.917 -8.552 1.00 0.00 O ATOM 0 H GLU A 10 1.237 -1.782 -11.797 1.00 0.00 H new ATOM 0 HA GLU A 10 0.618 -4.211 -10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.022 -2.228 -12.103 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.748 -3.657 -11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.146 -1.902 -9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.676 -1.269 -10.132 1.00 0.00 H new ATOM 180 N LEU A 11 0.656 -4.420 -13.794 1.00 0.00 N ATOM 181 CA LEU A 11 0.617 -5.367 -14.912 1.00 0.00 C ATOM 182 C LEU A 11 1.672 -6.480 -14.747 1.00 0.00 C ATOM 183 O LEU A 11 1.456 -7.629 -15.136 1.00 0.00 O ATOM 184 CB LEU A 11 0.742 -4.502 -16.193 1.00 0.00 C ATOM 185 CG LEU A 11 1.512 -5.112 -17.365 1.00 0.00 C ATOM 186 CD1 LEU A 11 0.747 -6.239 -18.063 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.820 -4.042 -18.415 1.00 0.00 C ATOM 0 H LEU A 11 0.990 -3.492 -14.053 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.313 -5.934 -14.963 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.263 -4.258 -16.537 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.224 -3.562 -15.923 1.00 0.00 H new ATOM 0 HG LEU A 11 2.426 -5.524 -16.937 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.346 -6.630 -18.885 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.545 -7.038 -17.349 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.195 -5.853 -18.452 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.368 -4.492 -19.243 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.887 -3.617 -18.786 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.424 -3.254 -17.965 1.00 0.00 H new ATOM 199 N GLN A 12 2.778 -6.157 -14.080 1.00 0.00 N ATOM 200 CA GLN A 12 3.876 -7.061 -13.753 1.00 0.00 C ATOM 201 C GLN A 12 3.441 -8.177 -12.780 1.00 0.00 C ATOM 202 O GLN A 12 4.051 -9.246 -12.750 1.00 0.00 O ATOM 203 CB GLN A 12 5.044 -6.220 -13.200 1.00 0.00 C ATOM 204 CG GLN A 12 6.388 -6.960 -13.286 1.00 0.00 C ATOM 205 CD GLN A 12 7.550 -6.120 -12.755 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.552 -5.641 -11.629 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.592 -5.912 -13.535 1.00 0.00 N ATOM 0 H GLN A 12 2.940 -5.210 -13.736 1.00 0.00 H new ATOM 0 HA GLN A 12 4.202 -7.581 -14.654 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.111 -5.285 -13.756 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.841 -5.959 -12.161 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.325 -7.889 -12.719 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.584 -7.232 -14.323 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.610 -6.303 -14.477 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.380 -5.360 -13.197 1.00 0.00 H new ATOM 216 N GLY A 13 2.351 -7.960 -12.030 1.00 0.00 N ATOM 217 CA GLY A 13 1.768 -8.948 -11.121 1.00 0.00 C ATOM 218 C GLY A 13 0.746 -9.849 -11.812 1.00 0.00 C ATOM 219 O GLY A 13 0.766 -11.060 -11.586 1.00 0.00 O ATOM 0 H GLY A 13 1.843 -7.075 -12.041 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.563 -9.563 -10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.289 -8.433 -10.289 1.00 0.00 H new ATOM 223 N ILE A 14 -0.096 -9.302 -12.706 1.00 0.00 N ATOM 224 CA ILE A 14 -1.156 -10.094 -13.377 1.00 0.00 C ATOM 225 C ILE A 14 -0.551 -11.293 -14.118 1.00 0.00 C ATOM 226 O ILE A 14 -1.019 -12.428 -13.989 1.00 0.00 O ATOM 227 CB ILE A 14 -1.990 -9.229 -14.355 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.700 -8.067 -13.631 1.00 0.00 C ATOM 229 CG2 ILE A 14 -3.042 -10.083 -15.097 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.316 -7.036 -14.582 1.00 0.00 C ATOM 0 H ILE A 14 -0.068 -8.321 -12.983 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.827 -10.459 -12.599 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.288 -8.813 -15.077 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.484 -8.473 -12.992 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.985 -7.566 -12.979 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.612 -9.449 -15.776 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.540 -10.865 -15.666 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.718 -10.538 -14.373 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.798 -6.249 -14.002 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.533 -6.602 -15.204 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.056 -7.523 -15.217 1.00 0.00 H new ATOM 242 N LYS A 15 0.519 -11.037 -14.878 1.00 0.00 N ATOM 243 CA LYS A 15 1.114 -12.025 -15.783 1.00 0.00 C ATOM 244 C LYS A 15 1.836 -13.165 -15.053 1.00 0.00 C ATOM 245 O LYS A 15 1.825 -14.307 -15.513 1.00 0.00 O ATOM 246 CB LYS A 15 2.032 -11.293 -16.773 1.00 0.00 C ATOM 247 CG LYS A 15 2.082 -12.033 -18.116 1.00 0.00 C ATOM 248 CD LYS A 15 2.869 -11.244 -19.168 1.00 0.00 C ATOM 249 CE LYS A 15 4.384 -11.347 -18.944 1.00 0.00 C ATOM 250 NZ LYS A 15 5.141 -10.661 -20.024 1.00 0.00 N ATOM 0 H LYS A 15 0.998 -10.136 -14.883 1.00 0.00 H new ATOM 0 HA LYS A 15 0.310 -12.520 -16.328 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.672 -10.276 -16.926 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.036 -11.217 -16.357 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.542 -13.011 -17.976 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.067 -12.206 -18.474 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.623 -11.618 -20.162 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.568 -10.197 -19.137 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.642 -10.906 -17.981 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.677 -12.396 -18.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.161 -10.749 -19.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.913 -11.098 -20.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.879 -9.655 -20.046 1.00 0.00 H new ATOM 264 N GLN A 16 2.417 -12.866 -13.891 1.00 0.00 N ATOM 265 CA GLN A 16 3.128 -13.813 -13.037 1.00 0.00 C ATOM 266 C GLN A 16 2.172 -14.729 -12.273 1.00 0.00 C ATOM 267 O GLN A 16 2.422 -15.928 -12.152 1.00 0.00 O ATOM 268 CB GLN A 16 4.003 -13.017 -12.055 1.00 0.00 C ATOM 269 CG GLN A 16 5.304 -12.480 -12.675 1.00 0.00 C ATOM 270 CD GLN A 16 6.327 -13.587 -12.937 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.271 -14.305 -13.926 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.301 -13.780 -12.071 1.00 0.00 N ATOM 0 H GLN A 16 2.404 -11.922 -13.506 1.00 0.00 H new ATOM 0 HA GLN A 16 3.744 -14.456 -13.665 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.425 -12.179 -11.665 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.252 -13.654 -11.207 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.074 -11.973 -13.612 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.741 -11.736 -12.009 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.368 -13.193 -11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.989 -14.516 -12.232 1.00 0.00 H new ATOM 281 N TYR A 17 1.043 -14.190 -11.815 1.00 0.00 N ATOM 282 CA TYR A 17 0.013 -14.975 -11.149 1.00 0.00 C ATOM 283 C TYR A 17 -0.619 -16.031 -12.060 1.00 0.00 C ATOM 284 O TYR A 17 -0.890 -17.142 -11.599 1.00 0.00 O ATOM 285 CB TYR A 17 -1.075 -14.041 -10.619 1.00 0.00 C ATOM 286 CG TYR A 17 -0.762 -13.323 -9.312 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.233 -14.022 -8.205 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.054 -11.950 -9.185 1.00 0.00 C ATOM 289 CE1 TYR A 17 0.011 -13.353 -6.992 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.802 -11.275 -7.975 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.275 -11.978 -6.871 1.00 0.00 C ATOM 292 OH TYR A 17 -0.122 -11.359 -5.668 1.00 0.00 O ATOM 0 H TYR A 17 0.820 -13.198 -11.897 1.00 0.00 H new ATOM 0 HA TYR A 17 0.497 -15.509 -10.331 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.285 -13.291 -11.381 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.988 -14.620 -10.482 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.015 -15.076 -8.290 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.474 -11.412 -10.022 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.419 -13.894 -6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.012 -10.219 -7.892 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.420 -10.428 -5.739 1.00 0.00 H new ATOM 302 N ARG A 18 -0.823 -15.725 -13.350 1.00 0.00 N ATOM 303 CA ARG A 18 -1.383 -16.713 -14.290 1.00 0.00 C ATOM 304 C ARG A 18 -0.448 -17.910 -14.506 1.00 0.00 C ATOM 305 O ARG A 18 -0.910 -19.037 -14.676 1.00 0.00 O ATOM 306 CB ARG A 18 -1.763 -16.069 -15.631 1.00 0.00 C ATOM 307 CG ARG A 18 -3.279 -15.838 -15.759 1.00 0.00 C ATOM 308 CD ARG A 18 -3.703 -15.593 -17.214 1.00 0.00 C ATOM 309 NE ARG A 18 -3.624 -16.832 -18.019 1.00 0.00 N ATOM 310 CZ ARG A 18 -3.702 -16.939 -19.334 1.00 0.00 C ATOM 311 NH1 ARG A 18 -3.868 -15.903 -20.108 1.00 0.00 N ATOM 312 NH2 ARG A 18 -3.616 -18.107 -19.906 1.00 0.00 N ATOM 0 H ARG A 18 -0.613 -14.817 -13.763 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.294 -17.093 -13.828 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.243 -15.117 -15.735 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.425 -16.708 -16.447 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.812 -16.704 -15.367 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.568 -14.983 -15.148 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.722 -15.208 -17.237 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.064 -14.829 -17.657 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.495 -17.701 -17.501 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.942 -14.970 -19.702 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.924 -16.025 -21.119 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.488 -18.945 -19.338 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.677 -18.183 -20.921 1.00 0.00 H new ATOM 326 N GLU A 19 0.861 -17.669 -14.458 1.00 0.00 N ATOM 327 CA GLU A 19 1.906 -18.695 -14.566 1.00 0.00 C ATOM 328 C GLU A 19 1.959 -19.627 -13.340 1.00 0.00 C ATOM 329 O GLU A 19 2.280 -20.808 -13.453 1.00 0.00 O ATOM 330 CB GLU A 19 3.261 -17.980 -14.702 1.00 0.00 C ATOM 331 CG GLU A 19 4.306 -18.769 -15.504 1.00 0.00 C ATOM 332 CD GLU A 19 4.139 -18.575 -17.027 1.00 0.00 C ATOM 333 OE1 GLU A 19 3.122 -19.031 -17.604 1.00 0.00 O ATOM 334 OE2 GLU A 19 5.035 -17.968 -17.665 1.00 0.00 O ATOM 0 H GLU A 19 1.238 -16.729 -14.340 1.00 0.00 H new ATOM 0 HA GLU A 19 1.680 -19.316 -15.433 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.104 -17.014 -15.181 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.657 -17.781 -13.706 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.305 -18.452 -15.206 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.223 -19.829 -15.263 1.00 0.00 H new ATOM 341 N ALA A 20 1.656 -19.094 -12.154 1.00 0.00 N ATOM 342 CA ALA A 20 1.868 -19.755 -10.867 1.00 0.00 C ATOM 343 C ALA A 20 0.880 -20.900 -10.609 1.00 0.00 C ATOM 344 O ALA A 20 1.264 -21.904 -10.008 1.00 0.00 O ATOM 345 CB ALA A 20 1.796 -18.698 -9.759 1.00 0.00 C ATOM 0 H ALA A 20 1.245 -18.165 -12.061 1.00 0.00 H new ATOM 0 HA ALA A 20 2.853 -20.221 -10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.952 -19.174 -8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.568 -17.946 -9.922 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.816 -18.221 -9.775 1.00 0.00 H new ATOM 351 N LEU A 21 -0.360 -20.804 -11.106 1.00 0.00 N ATOM 352 CA LEU A 21 -1.374 -21.860 -10.975 1.00 0.00 C ATOM 353 C LEU A 21 -0.912 -23.192 -11.575 1.00 0.00 C ATOM 354 O LEU A 21 -1.349 -24.238 -11.104 1.00 0.00 O ATOM 355 CB LEU A 21 -2.703 -21.364 -11.569 1.00 0.00 C ATOM 356 CG LEU A 21 -3.940 -22.223 -11.221 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.183 -21.338 -11.099 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.263 -23.275 -12.288 1.00 0.00 C ATOM 0 H LEU A 21 -0.691 -19.984 -11.615 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.529 -22.070 -9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.879 -20.345 -11.224 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.604 -21.320 -12.654 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.692 -22.721 -10.284 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.047 -21.956 -10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.029 -20.601 -10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.360 -20.826 -12.045 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.141 -23.844 -11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.463 -22.780 -13.238 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.415 -23.950 -12.402 1.00 0.00 H new ATOM 370 N GLU A 22 0.029 -23.190 -12.525 1.00 0.00 N ATOM 371 CA GLU A 22 0.623 -24.445 -13.012 1.00 0.00 C ATOM 372 C GLU A 22 1.363 -25.246 -11.928 1.00 0.00 C ATOM 373 O GLU A 22 1.420 -26.476 -11.999 1.00 0.00 O ATOM 374 CB GLU A 22 1.592 -24.162 -14.162 1.00 0.00 C ATOM 375 CG GLU A 22 0.874 -24.037 -15.512 1.00 0.00 C ATOM 376 CD GLU A 22 1.875 -24.110 -16.680 1.00 0.00 C ATOM 377 OE1 GLU A 22 2.184 -25.234 -17.149 1.00 0.00 O ATOM 378 OE2 GLU A 22 2.351 -23.050 -17.156 1.00 0.00 O ATOM 0 H GLU A 22 0.394 -22.347 -12.969 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.216 -25.055 -13.348 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.137 -23.241 -13.956 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.329 -24.963 -14.218 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.136 -24.834 -15.610 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.331 -23.093 -15.553 1.00 0.00 H new ATOM 385 N TYR A 23 1.882 -24.557 -10.913 1.00 0.00 N ATOM 386 CA TYR A 23 2.550 -25.147 -9.752 1.00 0.00 C ATOM 387 C TYR A 23 1.653 -25.195 -8.504 1.00 0.00 C ATOM 388 O TYR A 23 1.721 -26.178 -7.762 1.00 0.00 O ATOM 389 CB TYR A 23 3.851 -24.378 -9.480 1.00 0.00 C ATOM 390 CG TYR A 23 4.876 -24.534 -10.590 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.760 -25.631 -10.574 1.00 0.00 C ATOM 392 CD2 TYR A 23 4.912 -23.618 -11.661 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.679 -25.814 -11.626 1.00 0.00 C ATOM 394 CE2 TYR A 23 5.827 -23.800 -12.718 1.00 0.00 C ATOM 395 CZ TYR A 23 6.713 -24.902 -12.702 1.00 0.00 C ATOM 396 OH TYR A 23 7.595 -25.096 -13.723 1.00 0.00 O ATOM 0 H TYR A 23 1.848 -23.538 -10.874 1.00 0.00 H new ATOM 0 HA TYR A 23 2.779 -26.187 -9.985 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.621 -23.320 -9.351 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.283 -24.727 -8.542 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.733 -26.333 -9.754 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.237 -22.775 -11.672 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.358 -26.653 -11.609 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.851 -23.099 -13.539 1.00 0.00 H new ATOM 0 HH TYR A 23 7.491 -24.381 -14.385 1.00 0.00 H new ATOM 406 N THR A 24 0.783 -24.200 -8.269 1.00 0.00 N ATOM 407 CA THR A 24 -0.082 -24.186 -7.070 1.00 0.00 C ATOM 408 C THR A 24 -1.378 -24.982 -7.225 1.00 0.00 C ATOM 409 O THR A 24 -1.846 -25.566 -6.249 1.00 0.00 O ATOM 410 CB THR A 24 -0.451 -22.774 -6.575 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.524 -22.247 -7.322 1.00 0.00 O ATOM 412 CG2 THR A 24 0.680 -21.748 -6.615 1.00 0.00 C ATOM 0 H THR A 24 0.657 -23.398 -8.887 1.00 0.00 H new ATOM 0 HA THR A 24 0.550 -24.672 -6.326 1.00 0.00 H new ATOM 0 HB THR A 24 -0.712 -22.928 -5.528 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.848 -21.427 -6.895 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.315 -20.789 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.503 -22.089 -5.987 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.030 -21.633 -7.641 1.00 0.00 H new ATOM 420 N HIS A 25 -1.983 -24.987 -8.421 1.00 0.00 N ATOM 421 CA HIS A 25 -3.359 -25.443 -8.713 1.00 0.00 C ATOM 422 C HIS A 25 -4.433 -25.010 -7.680 1.00 0.00 C ATOM 423 O HIS A 25 -5.443 -25.696 -7.505 1.00 0.00 O ATOM 424 CB HIS A 25 -3.333 -26.958 -9.006 1.00 0.00 C ATOM 425 CG HIS A 25 -2.750 -27.277 -10.362 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.478 -27.531 -11.513 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.425 -27.304 -10.698 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.609 -27.709 -12.527 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.353 -27.587 -12.050 1.00 0.00 N ATOM 0 H HIS A 25 -1.504 -24.656 -9.259 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.698 -24.920 -9.607 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.750 -27.463 -8.236 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.347 -27.353 -8.949 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.591 -27.136 -10.033 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.874 -27.915 -13.553 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.496 -27.687 -12.594 1.00 0.00 H new ATOM 438 N ASN A 26 -4.235 -23.884 -6.979 1.00 0.00 N ATOM 439 CA ASN A 26 -5.123 -23.417 -5.900 1.00 0.00 C ATOM 440 C ASN A 26 -6.186 -22.404 -6.387 1.00 0.00 C ATOM 441 O ASN A 26 -5.920 -21.626 -7.308 1.00 0.00 O ATOM 442 CB ASN A 26 -4.266 -22.807 -4.770 1.00 0.00 C ATOM 443 CG ASN A 26 -3.945 -23.810 -3.679 1.00 0.00 C ATOM 444 OD1 ASN A 26 -4.635 -23.907 -2.676 1.00 0.00 O ATOM 445 ND2 ASN A 26 -2.896 -24.579 -3.827 1.00 0.00 N ATOM 0 H ASN A 26 -3.444 -23.263 -7.146 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.677 -24.279 -5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.337 -22.422 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.794 -21.959 -4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.656 -25.258 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.319 -24.499 -4.664 1.00 0.00 H new ATOM 452 N PRO A 27 -7.355 -22.322 -5.713 1.00 0.00 N ATOM 453 CA PRO A 27 -8.404 -21.336 -6.006 1.00 0.00 C ATOM 454 C PRO A 27 -8.047 -19.905 -5.559 1.00 0.00 C ATOM 455 O PRO A 27 -8.783 -18.962 -5.848 1.00 0.00 O ATOM 456 CB PRO A 27 -9.644 -21.851 -5.262 1.00 0.00 C ATOM 457 CG PRO A 27 -9.051 -22.551 -4.041 1.00 0.00 C ATOM 458 CD PRO A 27 -7.773 -23.172 -4.599 1.00 0.00 C ATOM 0 HA PRO A 27 -8.556 -21.250 -7.082 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.309 -21.036 -4.976 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.226 -22.537 -5.877 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.841 -21.849 -3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.726 -23.306 -3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.998 -23.219 -3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.952 -24.193 -4.935 1.00 0.00 H new ATOM 466 N VAL A 28 -6.927 -19.718 -4.851 1.00 0.00 N ATOM 467 CA VAL A 28 -6.497 -18.424 -4.309 1.00 0.00 C ATOM 468 C VAL A 28 -6.085 -17.449 -5.407 1.00 0.00 C ATOM 469 O VAL A 28 -6.421 -16.272 -5.353 1.00 0.00 O ATOM 470 CB VAL A 28 -5.385 -18.660 -3.269 1.00 0.00 C ATOM 471 CG1 VAL A 28 -3.978 -18.869 -3.852 1.00 0.00 C ATOM 472 CG2 VAL A 28 -5.385 -17.528 -2.253 1.00 0.00 C ATOM 0 H VAL A 28 -6.281 -20.477 -4.635 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.340 -17.947 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.626 -19.608 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.268 -19.027 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.981 -19.741 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.686 -17.988 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.597 -17.698 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.207 -16.581 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.350 -17.492 -1.748 1.00 0.00 H new ATOM 482 N LEU A 29 -5.437 -17.941 -6.462 1.00 0.00 N ATOM 483 CA LEU A 29 -5.055 -17.148 -7.632 1.00 0.00 C ATOM 484 C LEU A 29 -6.289 -16.666 -8.417 1.00 0.00 C ATOM 485 O LEU A 29 -6.313 -15.528 -8.889 1.00 0.00 O ATOM 486 CB LEU A 29 -4.103 -18.002 -8.482 1.00 0.00 C ATOM 487 CG LEU A 29 -2.769 -18.337 -7.790 1.00 0.00 C ATOM 488 CD1 LEU A 29 -1.986 -19.328 -8.637 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.889 -17.112 -7.566 1.00 0.00 C ATOM 0 H LEU A 29 -5.157 -18.920 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.541 -16.237 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.606 -18.932 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.894 -17.476 -9.413 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.025 -18.755 -6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.043 -19.562 -8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.568 -20.241 -8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.785 -18.891 -9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.964 -17.414 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.657 -16.650 -8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.417 -16.395 -6.937 1.00 0.00 H new ATOM 501 N ALA A 30 -7.358 -17.474 -8.430 1.00 0.00 N ATOM 502 CA ALA A 30 -8.702 -17.116 -8.904 1.00 0.00 C ATOM 503 C ALA A 30 -9.463 -16.123 -7.982 1.00 0.00 C ATOM 504 O ALA A 30 -10.647 -15.859 -8.202 1.00 0.00 O ATOM 505 CB ALA A 30 -9.491 -18.412 -9.148 1.00 0.00 C ATOM 0 H ALA A 30 -7.307 -18.436 -8.096 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.593 -16.564 -9.837 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.493 -18.167 -9.501 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.979 -19.014 -9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.562 -18.976 -8.218 1.00 0.00 H new ATOM 511 N LYS A 31 -8.782 -15.532 -6.987 1.00 0.00 N ATOM 512 CA LYS A 31 -9.186 -14.331 -6.244 1.00 0.00 C ATOM 513 C LYS A 31 -8.111 -13.243 -6.280 1.00 0.00 C ATOM 514 O LYS A 31 -8.439 -12.089 -6.533 1.00 0.00 O ATOM 515 CB LYS A 31 -9.570 -14.675 -4.794 1.00 0.00 C ATOM 516 CG LYS A 31 -10.836 -15.540 -4.705 1.00 0.00 C ATOM 517 CD LYS A 31 -11.270 -15.721 -3.241 1.00 0.00 C ATOM 518 CE LYS A 31 -12.516 -16.607 -3.099 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.743 -15.963 -3.643 1.00 0.00 N ATOM 0 H LYS A 31 -7.887 -15.900 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.068 -13.931 -6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.742 -15.200 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.725 -13.752 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.641 -15.074 -5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.649 -16.514 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.449 -16.161 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.472 -14.744 -2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.346 -17.551 -3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.671 -16.843 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.554 -16.603 -3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.924 -15.075 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.610 -15.761 -4.654 1.00 0.00 H new ATOM 533 N ILE A 32 -6.832 -13.595 -6.123 1.00 0.00 N ATOM 534 CA ILE A 32 -5.725 -12.626 -6.115 1.00 0.00 C ATOM 535 C ILE A 32 -5.588 -11.933 -7.475 1.00 0.00 C ATOM 536 O ILE A 32 -5.759 -10.718 -7.565 1.00 0.00 O ATOM 537 CB ILE A 32 -4.388 -13.265 -5.683 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.406 -13.888 -4.270 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.309 -12.172 -5.687 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.311 -14.954 -4.121 1.00 0.00 C ATOM 0 H ILE A 32 -6.531 -14.561 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.972 -11.871 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.192 -14.072 -6.389 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.262 -13.107 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.381 -14.335 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.354 -12.602 -5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.217 -11.755 -6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.589 -11.382 -4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.348 -15.375 -3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.472 -15.746 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.335 -14.499 -4.288 1.00 0.00 H new ATOM 552 N LEU A 33 -5.325 -12.688 -8.546 1.00 0.00 N ATOM 553 CA LEU A 33 -5.179 -12.106 -9.881 1.00 0.00 C ATOM 554 C LEU A 33 -6.550 -11.756 -10.466 1.00 0.00 C ATOM 555 O LEU A 33 -6.657 -10.821 -11.249 1.00 0.00 O ATOM 556 CB LEU A 33 -4.309 -13.023 -10.763 1.00 0.00 C ATOM 557 CG LEU A 33 -5.048 -13.908 -11.778 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.163 -13.251 -13.156 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.352 -15.254 -11.983 1.00 0.00 C ATOM 0 H LEU A 33 -5.209 -13.701 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.644 -11.158 -9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.601 -12.399 -11.308 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.725 -13.670 -10.109 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.039 -14.052 -11.348 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.694 -13.919 -13.834 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.712 -12.313 -13.067 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.166 -13.052 -13.549 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.910 -15.845 -12.709 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.340 -15.088 -12.352 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.309 -15.790 -11.035 1.00 0.00 H new ATOM 571 N GLU A 34 -7.606 -12.447 -10.027 1.00 0.00 N ATOM 572 CA GLU A 34 -8.985 -12.075 -10.346 1.00 0.00 C ATOM 573 C GLU A 34 -9.317 -10.659 -9.838 1.00 0.00 C ATOM 574 O GLU A 34 -10.169 -9.982 -10.417 1.00 0.00 O ATOM 575 CB GLU A 34 -9.945 -13.132 -9.788 1.00 0.00 C ATOM 576 CG GLU A 34 -11.430 -12.937 -10.135 1.00 0.00 C ATOM 577 CD GLU A 34 -11.730 -12.936 -11.650 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.102 -13.712 -12.410 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.631 -12.179 -12.086 1.00 0.00 O ATOM 0 H GLU A 34 -7.528 -13.279 -9.441 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.104 -12.046 -11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.631 -14.110 -10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.844 -13.150 -8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.010 -13.730 -9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.771 -11.994 -9.708 1.00 0.00 H new ATOM 586 N ASP A 35 -8.624 -10.167 -8.802 1.00 0.00 N ATOM 587 CA ASP A 35 -8.639 -8.758 -8.445 1.00 0.00 C ATOM 588 C ASP A 35 -7.632 -7.891 -9.213 1.00 0.00 C ATOM 589 O ASP A 35 -8.017 -6.837 -9.712 1.00 0.00 O ATOM 590 CB ASP A 35 -8.387 -8.572 -6.954 1.00 0.00 C ATOM 591 CG ASP A 35 -9.391 -9.212 -5.989 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.560 -9.465 -6.374 1.00 0.00 O ATOM 593 OD2 ASP A 35 -8.994 -9.382 -4.812 1.00 0.00 O ATOM 0 H ASP A 35 -8.040 -10.741 -8.194 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.637 -8.419 -8.724 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.398 -8.970 -6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.355 -7.502 -6.748 1.00 0.00 H new ATOM 598 N GLU A 36 -6.367 -8.296 -9.375 1.00 0.00 N ATOM 599 CA GLU A 36 -5.424 -7.506 -10.184 1.00 0.00 C ATOM 600 C GLU A 36 -5.904 -7.265 -11.630 1.00 0.00 C ATOM 601 O GLU A 36 -5.547 -6.257 -12.238 1.00 0.00 O ATOM 602 CB GLU A 36 -4.044 -8.168 -10.220 1.00 0.00 C ATOM 603 CG GLU A 36 -3.378 -8.452 -8.870 1.00 0.00 C ATOM 604 CD GLU A 36 -3.017 -7.240 -8.011 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.358 -6.067 -8.304 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.364 -7.414 -6.950 1.00 0.00 O ATOM 0 H GLU A 36 -5.976 -9.146 -8.968 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.364 -6.535 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.134 -9.111 -10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.377 -7.531 -10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.043 -9.093 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.467 -9.022 -9.054 1.00 0.00 H new ATOM 613 N GLU A 37 -6.765 -8.143 -12.158 1.00 0.00 N ATOM 614 CA GLU A 37 -7.331 -8.054 -13.517 1.00 0.00 C ATOM 615 C GLU A 37 -8.255 -6.833 -13.670 1.00 0.00 C ATOM 616 O GLU A 37 -8.396 -6.266 -14.757 1.00 0.00 O ATOM 617 CB GLU A 37 -8.106 -9.354 -13.801 1.00 0.00 C ATOM 618 CG GLU A 37 -8.581 -9.548 -15.247 1.00 0.00 C ATOM 619 CD GLU A 37 -7.417 -9.833 -16.219 1.00 0.00 C ATOM 620 OE1 GLU A 37 -6.805 -8.871 -16.744 1.00 0.00 O ATOM 621 OE2 GLU A 37 -7.125 -11.024 -16.486 1.00 0.00 O ATOM 0 H GLU A 37 -7.098 -8.957 -11.642 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.520 -7.929 -14.235 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.472 -10.199 -13.531 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.976 -9.386 -13.146 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.292 -10.374 -15.285 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.113 -8.654 -15.574 1.00 0.00 H new ATOM 628 N LYS A 38 -8.846 -6.402 -12.550 1.00 0.00 N ATOM 629 CA LYS A 38 -9.758 -5.258 -12.435 1.00 0.00 C ATOM 630 C LYS A 38 -9.107 -4.031 -11.796 1.00 0.00 C ATOM 631 O LYS A 38 -9.466 -2.921 -12.172 1.00 0.00 O ATOM 632 CB LYS A 38 -11.061 -5.715 -11.745 1.00 0.00 C ATOM 633 CG LYS A 38 -10.928 -6.386 -10.380 1.00 0.00 C ATOM 634 CD LYS A 38 -12.314 -6.735 -9.825 1.00 0.00 C ATOM 635 CE LYS A 38 -12.181 -7.404 -8.454 1.00 0.00 C ATOM 636 NZ LYS A 38 -12.126 -8.884 -8.561 1.00 0.00 N ATOM 0 H LYS A 38 -8.694 -6.865 -11.654 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.016 -4.911 -13.435 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.707 -4.844 -11.632 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.573 -6.407 -12.414 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.325 -7.290 -10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.408 -5.722 -9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.918 -5.832 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.833 -7.401 -10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.279 -7.042 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.025 -7.117 -7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.722 -9.280 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.087 -9.258 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.531 -9.152 -9.371 1.00 0.00 H new ATOM 650 N HIS A 39 -8.093 -4.193 -10.940 1.00 0.00 N ATOM 651 CA HIS A 39 -7.365 -3.123 -10.258 1.00 0.00 C ATOM 652 C HIS A 39 -6.770 -2.049 -11.176 1.00 0.00 C ATOM 653 O HIS A 39 -6.898 -0.865 -10.870 1.00 0.00 O ATOM 654 CB HIS A 39 -6.244 -3.783 -9.459 1.00 0.00 C ATOM 655 CG HIS A 39 -6.630 -4.341 -8.123 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.712 -4.616 -7.109 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.897 -4.583 -7.678 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.462 -5.013 -6.066 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.770 -5.000 -6.377 1.00 0.00 N ATOM 0 H HIS A 39 -7.742 -5.119 -10.693 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.084 -2.590 -9.635 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.823 -4.589 -10.059 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.451 -3.050 -9.309 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.696 -4.534 -7.150 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.814 -4.469 -8.237 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.066 -5.304 -5.104 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.536 -5.256 -5.753 1.00 0.00 H new ATOM 667 N ILE A 40 -6.135 -2.438 -12.288 1.00 0.00 N ATOM 668 CA ILE A 40 -5.537 -1.466 -13.224 1.00 0.00 C ATOM 669 C ILE A 40 -6.612 -0.553 -13.816 1.00 0.00 C ATOM 670 O ILE A 40 -6.525 0.670 -13.695 1.00 0.00 O ATOM 671 CB ILE A 40 -4.722 -2.162 -14.338 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.519 -2.876 -13.698 1.00 0.00 C ATOM 673 CG2 ILE A 40 -4.218 -1.135 -15.366 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.620 -3.615 -14.693 1.00 0.00 C ATOM 0 H ILE A 40 -6.020 -3.413 -12.565 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.839 -0.851 -12.655 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.361 -2.880 -14.852 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.919 -2.141 -13.161 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.886 -3.589 -12.959 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.647 -1.646 -16.141 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.069 -0.626 -15.819 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.581 -0.404 -14.868 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.798 -4.089 -14.158 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.202 -4.376 -15.213 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.220 -2.906 -15.418 1.00 0.00 H new ATOM 686 N GLU A 41 -7.654 -1.137 -14.415 1.00 0.00 N ATOM 687 CA GLU A 41 -8.773 -0.364 -14.959 1.00 0.00 C ATOM 688 C GLU A 41 -9.499 0.431 -13.870 1.00 0.00 C ATOM 689 O GLU A 41 -9.874 1.578 -14.101 1.00 0.00 O ATOM 690 CB GLU A 41 -9.735 -1.263 -15.749 1.00 0.00 C ATOM 691 CG GLU A 41 -9.103 -1.713 -17.076 1.00 0.00 C ATOM 692 CD GLU A 41 -10.105 -2.489 -17.949 1.00 0.00 C ATOM 693 OE1 GLU A 41 -11.009 -1.858 -18.554 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.992 -3.736 -18.058 1.00 0.00 O ATOM 0 H GLU A 41 -7.745 -2.146 -14.535 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.360 0.365 -15.656 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.996 -2.137 -15.151 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.662 -0.724 -15.947 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.744 -0.841 -17.622 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.236 -2.341 -16.872 1.00 0.00 H new ATOM 701 N TRP A 42 -9.612 -0.118 -12.659 1.00 0.00 N ATOM 702 CA TRP A 42 -10.176 0.565 -11.494 1.00 0.00 C ATOM 703 C TRP A 42 -9.527 1.912 -11.124 1.00 0.00 C ATOM 704 O TRP A 42 -10.271 2.824 -10.758 1.00 0.00 O ATOM 705 CB TRP A 42 -10.213 -0.438 -10.324 1.00 0.00 C ATOM 706 CG TRP A 42 -11.435 -1.296 -10.216 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.458 -1.354 -11.101 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.777 -2.233 -9.147 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.425 -2.222 -10.632 1.00 0.00 N ATOM 710 CE2 TRP A 42 -13.077 -2.762 -9.410 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.124 -2.688 -7.981 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.719 -3.642 -8.525 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.739 -3.604 -7.112 1.00 0.00 C ATOM 714 CH2 TRP A 42 -13.041 -4.065 -7.369 1.00 0.00 C ATOM 0 H TRP A 42 -9.307 -1.070 -12.457 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.186 0.878 -11.756 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.344 -1.091 -10.407 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.105 0.119 -9.394 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.510 -0.806 -12.030 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.290 -2.437 -11.128 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.133 -2.325 -7.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.721 -3.990 -8.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.207 -3.956 -6.240 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.520 -4.744 -6.679 1.00 0.00 H new ATOM 725 N LEU A 43 -8.209 2.113 -11.279 1.00 0.00 N ATOM 726 CA LEU A 43 -7.601 3.448 -11.145 1.00 0.00 C ATOM 727 C LEU A 43 -7.608 4.263 -12.451 1.00 0.00 C ATOM 728 O LEU A 43 -7.750 5.481 -12.397 1.00 0.00 O ATOM 729 CB LEU A 43 -6.230 3.376 -10.452 1.00 0.00 C ATOM 730 CG LEU A 43 -5.072 2.919 -11.355 1.00 0.00 C ATOM 731 CD1 LEU A 43 -4.045 4.037 -11.510 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.363 1.697 -10.780 1.00 0.00 C ATOM 0 H LEU A 43 -7.544 1.370 -11.497 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.245 4.024 -10.481 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.991 4.360 -10.049 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.302 2.694 -9.605 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.504 2.663 -12.322 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.232 3.698 -12.152 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.521 4.909 -11.958 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.647 4.304 -10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.551 1.402 -11.444 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.959 1.940 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.073 0.875 -10.687 1.00 0.00 H new ATOM 744 N GLU A 44 -7.538 3.622 -13.623 1.00 0.00 N ATOM 745 CA GLU A 44 -7.577 4.293 -14.928 1.00 0.00 C ATOM 746 C GLU A 44 -8.918 4.984 -15.185 1.00 0.00 C ATOM 747 O GLU A 44 -8.954 6.105 -15.697 1.00 0.00 O ATOM 748 CB GLU A 44 -7.335 3.262 -16.041 1.00 0.00 C ATOM 749 CG GLU A 44 -6.180 3.678 -16.958 1.00 0.00 C ATOM 750 CD GLU A 44 -6.101 2.776 -18.206 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.592 1.633 -18.110 1.00 0.00 O ATOM 752 OE2 GLU A 44 -6.546 3.209 -19.298 1.00 0.00 O ATOM 0 H GLU A 44 -7.451 2.608 -13.693 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.798 5.055 -14.924 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.115 2.291 -15.596 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.244 3.144 -16.631 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.312 4.716 -17.265 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.240 3.625 -16.409 1.00 0.00 H new ATOM 759 N THR A 45 -10.017 4.340 -14.776 1.00 0.00 N ATOM 760 CA THR A 45 -11.366 4.908 -14.793 1.00 0.00 C ATOM 761 C THR A 45 -11.420 6.285 -14.120 1.00 0.00 C ATOM 762 O THR A 45 -12.096 7.188 -14.614 1.00 0.00 O ATOM 763 CB THR A 45 -12.371 3.928 -14.164 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.559 2.812 -15.014 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.758 4.515 -13.909 1.00 0.00 C ATOM 0 H THR A 45 -9.990 3.386 -14.416 1.00 0.00 H new ATOM 0 HA THR A 45 -11.648 5.062 -15.834 1.00 0.00 H new ATOM 0 HB THR A 45 -11.929 3.662 -13.204 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.804 2.195 -14.915 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.399 3.754 -13.465 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.675 5.362 -13.228 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.191 4.849 -14.852 1.00 0.00 H new ATOM 773 N ILE A 46 -10.666 6.479 -13.030 1.00 0.00 N ATOM 774 CA ILE A 46 -10.633 7.756 -12.292 1.00 0.00 C ATOM 775 C ILE A 46 -9.918 8.874 -13.067 1.00 0.00 C ATOM 776 O ILE A 46 -10.332 10.034 -13.019 1.00 0.00 O ATOM 777 CB ILE A 46 -9.998 7.581 -10.891 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.515 6.340 -10.132 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.220 8.831 -10.018 1.00 0.00 C ATOM 780 CD1 ILE A 46 -12.044 6.161 -10.139 1.00 0.00 C ATOM 0 H ILE A 46 -10.062 5.759 -12.633 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.672 8.062 -12.171 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.933 7.437 -11.075 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.059 5.451 -10.567 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.176 6.399 -9.098 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.763 8.678 -9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.765 9.697 -10.500 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.289 9.004 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.308 5.263 -9.581 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.514 7.028 -9.675 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.394 6.065 -11.167 1.00 0.00 H new ATOM 792 N LEU A 47 -8.857 8.528 -13.800 1.00 0.00 N ATOM 793 CA LEU A 47 -7.993 9.482 -14.503 1.00 0.00 C ATOM 794 C LEU A 47 -8.660 10.163 -15.714 1.00 0.00 C ATOM 795 O LEU A 47 -8.268 11.275 -16.080 1.00 0.00 O ATOM 796 CB LEU A 47 -6.677 8.801 -14.930 1.00 0.00 C ATOM 797 CG LEU A 47 -5.874 8.139 -13.795 1.00 0.00 C ATOM 798 CD1 LEU A 47 -4.549 7.606 -14.343 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.589 9.087 -12.629 1.00 0.00 C ATOM 0 H LEU A 47 -8.568 7.558 -13.924 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.787 10.279 -13.788 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.907 8.043 -15.679 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.044 9.545 -15.414 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.489 7.326 -13.409 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.984 7.138 -13.537 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.747 6.870 -15.122 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.971 8.430 -14.761 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.020 8.560 -11.863 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.013 9.940 -12.986 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.531 9.437 -12.206 1.00 0.00 H new ATOM 811 N GLY A 48 -9.661 9.525 -16.330 1.00 0.00 N ATOM 812 CA GLY A 48 -10.372 10.074 -17.495 1.00 0.00 C ATOM 813 C GLY A 48 -11.435 9.163 -18.127 1.00 0.00 C ATOM 814 O GLY A 48 -11.767 9.319 -19.302 1.00 0.00 O ATOM 0 H GLY A 48 -10.004 8.611 -16.036 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.852 11.006 -17.196 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.636 10.325 -18.259 1.00 0.00 H new ATOM 828 N ASP B 1 10.690 -19.809 -5.154 1.00 0.00 N ATOM 829 CA ASP B 1 11.249 -18.448 -5.035 1.00 0.00 C ATOM 830 C ASP B 1 10.284 -17.331 -5.475 1.00 0.00 C ATOM 831 O ASP B 1 10.364 -16.194 -5.006 1.00 0.00 O ATOM 832 CB ASP B 1 12.530 -18.386 -5.875 1.00 0.00 C ATOM 833 CG ASP B 1 13.359 -17.119 -5.595 1.00 0.00 C ATOM 834 OD1 ASP B 1 13.871 -16.971 -4.460 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.535 -16.293 -6.522 1.00 0.00 O ATOM 0 H1 ASP B 1 11.341 -20.491 -4.716 1.00 0.00 H new ATOM 0 H2 ASP B 1 9.770 -19.850 -4.672 1.00 0.00 H new ATOM 0 H3 ASP B 1 10.565 -20.046 -6.159 1.00 0.00 H new ATOM 0 HA ASP B 1 11.445 -18.267 -3.978 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.138 -19.267 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.269 -18.419 -6.933 1.00 0.00 H new ATOM 840 N TYR B 2 9.339 -17.674 -6.353 1.00 0.00 N ATOM 841 CA TYR B 2 8.302 -16.788 -6.890 1.00 0.00 C ATOM 842 C TYR B 2 7.528 -16.038 -5.802 1.00 0.00 C ATOM 843 O TYR B 2 7.273 -14.846 -5.937 1.00 0.00 O ATOM 844 CB TYR B 2 7.301 -17.601 -7.733 1.00 0.00 C ATOM 845 CG TYR B 2 7.884 -18.790 -8.473 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.876 -18.596 -9.452 1.00 0.00 C ATOM 847 CD2 TYR B 2 7.477 -20.094 -8.130 1.00 0.00 C ATOM 848 CE1 TYR B 2 9.468 -19.705 -10.083 1.00 0.00 C ATOM 849 CE2 TYR B 2 8.059 -21.206 -8.764 1.00 0.00 C ATOM 850 CZ TYR B 2 9.060 -21.017 -9.743 1.00 0.00 C ATOM 851 OH TYR B 2 9.634 -22.095 -10.344 1.00 0.00 O ATOM 0 H TYR B 2 9.272 -18.621 -6.727 1.00 0.00 H new ATOM 0 HA TYR B 2 8.818 -16.047 -7.501 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.506 -17.957 -7.078 1.00 0.00 H new ATOM 0 HB3 TYR B 2 6.839 -16.933 -8.460 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.183 -17.595 -9.719 1.00 0.00 H new ATOM 0 HD2 TYR B 2 6.716 -20.240 -7.378 1.00 0.00 H new ATOM 0 HE1 TYR B 2 10.235 -19.555 -10.828 1.00 0.00 H new ATOM 0 HE2 TYR B 2 7.741 -22.204 -8.503 1.00 0.00 H new ATOM 0 HH TYR B 2 9.235 -22.917 -9.991 1.00 0.00 H new ATOM 861 N LEU B 3 7.172 -16.724 -4.712 1.00 0.00 N ATOM 862 CA LEU B 3 6.342 -16.185 -3.625 1.00 0.00 C ATOM 863 C LEU B 3 7.040 -15.022 -2.900 1.00 0.00 C ATOM 864 O LEU B 3 6.407 -14.005 -2.613 1.00 0.00 O ATOM 865 CB LEU B 3 5.989 -17.322 -2.647 1.00 0.00 C ATOM 866 CG LEU B 3 5.161 -18.454 -3.284 1.00 0.00 C ATOM 867 CD1 LEU B 3 5.128 -19.662 -2.351 1.00 0.00 C ATOM 868 CD2 LEU B 3 3.710 -18.053 -3.569 1.00 0.00 C ATOM 0 H LEU B 3 7.458 -17.691 -4.555 1.00 0.00 H new ATOM 0 HA LEU B 3 5.424 -15.780 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU B 3 6.911 -17.741 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU B 3 5.433 -16.906 -1.806 1.00 0.00 H new ATOM 0 HG LEU B 3 5.648 -18.686 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU B 3 4.541 -20.459 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.144 -20.015 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.675 -19.376 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU B 3 3.181 -18.894 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.220 -17.772 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.695 -17.207 -4.256 1.00 0.00 H new ATOM 880 N ARG B 4 8.358 -15.147 -2.677 1.00 0.00 N ATOM 881 CA ARG B 4 9.232 -14.088 -2.139 1.00 0.00 C ATOM 882 C ARG B 4 9.305 -12.868 -3.066 1.00 0.00 C ATOM 883 O ARG B 4 9.357 -11.739 -2.583 1.00 0.00 O ATOM 884 CB ARG B 4 10.629 -14.682 -1.861 1.00 0.00 C ATOM 885 CG ARG B 4 11.635 -13.654 -1.314 1.00 0.00 C ATOM 886 CD ARG B 4 13.016 -14.282 -1.070 1.00 0.00 C ATOM 887 NE ARG B 4 14.099 -13.338 -1.416 1.00 0.00 N ATOM 888 CZ ARG B 4 15.395 -13.501 -1.216 1.00 0.00 C ATOM 889 NH1 ARG B 4 15.877 -14.523 -0.567 1.00 0.00 N ATOM 890 NH2 ARG B 4 16.241 -12.624 -1.674 1.00 0.00 N ATOM 0 H ARG B 4 8.861 -16.013 -2.871 1.00 0.00 H new ATOM 0 HA ARG B 4 8.805 -13.724 -1.204 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.532 -15.499 -1.146 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.023 -15.110 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.731 -12.828 -2.019 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.256 -13.235 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.106 -14.575 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.116 -15.189 -1.665 1.00 0.00 H new ATOM 0 HE ARG B 4 13.815 -12.464 -1.858 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.247 -15.233 -0.193 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.884 -14.613 -0.433 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.904 -11.810 -2.188 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.241 -12.751 -1.519 1.00 0.00 H new ATOM 904 N GLU B 5 9.299 -13.073 -4.383 1.00 0.00 N ATOM 905 CA GLU B 5 9.308 -11.978 -5.366 1.00 0.00 C ATOM 906 C GLU B 5 7.938 -11.276 -5.472 1.00 0.00 C ATOM 907 O GLU B 5 7.861 -10.046 -5.486 1.00 0.00 O ATOM 908 CB GLU B 5 9.762 -12.534 -6.725 1.00 0.00 C ATOM 909 CG GLU B 5 9.939 -11.436 -7.779 1.00 0.00 C ATOM 910 CD GLU B 5 10.467 -12.018 -9.103 1.00 0.00 C ATOM 911 OE1 GLU B 5 9.649 -12.508 -9.921 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.700 -11.975 -9.342 1.00 0.00 O ATOM 0 H GLU B 5 9.288 -14.002 -4.804 1.00 0.00 H new ATOM 0 HA GLU B 5 10.010 -11.214 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.704 -13.068 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.030 -13.259 -7.080 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.986 -10.937 -7.952 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.632 -10.680 -7.409 1.00 0.00 H new ATOM 919 N LEU B 6 6.857 -12.063 -5.496 1.00 0.00 N ATOM 920 CA LEU B 6 5.455 -11.640 -5.585 1.00 0.00 C ATOM 921 C LEU B 6 5.077 -10.589 -4.530 1.00 0.00 C ATOM 922 O LEU B 6 4.582 -9.508 -4.847 1.00 0.00 O ATOM 923 CB LEU B 6 4.581 -12.910 -5.425 1.00 0.00 C ATOM 924 CG LEU B 6 3.853 -13.377 -6.689 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.737 -13.552 -7.927 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.187 -14.731 -6.419 1.00 0.00 C ATOM 0 H LEU B 6 6.944 -13.078 -5.451 1.00 0.00 H new ATOM 0 HA LEU B 6 5.290 -11.160 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.215 -13.723 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.839 -12.723 -4.648 1.00 0.00 H new ATOM 0 HG LEU B 6 3.142 -12.581 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.126 -13.885 -8.766 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.208 -12.601 -8.175 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.507 -14.295 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.668 -15.067 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.947 -15.462 -6.145 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.472 -14.628 -5.603 1.00 0.00 H new ATOM 938 N LEU B 7 5.321 -10.924 -3.266 1.00 0.00 N ATOM 939 CA LEU B 7 4.822 -10.221 -2.091 1.00 0.00 C ATOM 940 C LEU B 7 5.625 -8.959 -1.681 1.00 0.00 C ATOM 941 O LEU B 7 5.304 -8.332 -0.671 1.00 0.00 O ATOM 942 CB LEU B 7 4.542 -11.297 -1.015 1.00 0.00 C ATOM 943 CG LEU B 7 5.460 -11.347 0.201 1.00 0.00 C ATOM 944 CD1 LEU B 7 4.950 -12.378 1.212 1.00 0.00 C ATOM 945 CD2 LEU B 7 6.909 -11.700 -0.126 1.00 0.00 C ATOM 0 H LEU B 7 5.898 -11.729 -3.024 1.00 0.00 H new ATOM 0 HA LEU B 7 3.880 -9.716 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU B 7 3.522 -11.155 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU B 7 4.577 -12.272 -1.501 1.00 0.00 H new ATOM 0 HG LEU B 7 5.444 -10.336 0.609 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.616 -12.402 2.075 1.00 0.00 H new ATOM 0 HD12 LEU B 7 3.946 -12.104 1.536 1.00 0.00 H new ATOM 0 HD13 LEU B 7 4.924 -13.363 0.746 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.496 -11.715 0.792 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.947 -12.682 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.320 -10.955 -0.807 1.00 0.00 H new ATOM 957 N LYS B 8 6.634 -8.519 -2.456 1.00 0.00 N ATOM 958 CA LYS B 8 7.705 -7.622 -2.017 1.00 0.00 C ATOM 959 C LYS B 8 7.739 -6.392 -2.930 1.00 0.00 C ATOM 960 O LYS B 8 8.746 -6.028 -3.536 1.00 0.00 O ATOM 961 CB LYS B 8 8.984 -8.468 -1.952 1.00 0.00 C ATOM 962 CG LYS B 8 10.136 -7.711 -1.299 1.00 0.00 C ATOM 963 CD LYS B 8 11.156 -8.678 -0.696 1.00 0.00 C ATOM 964 CE LYS B 8 12.265 -7.782 -0.168 1.00 0.00 C ATOM 965 NZ LYS B 8 13.254 -8.524 0.657 1.00 0.00 N ATOM 0 H LYS B 8 6.724 -8.790 -3.435 1.00 0.00 H new ATOM 0 HA LYS B 8 7.560 -7.201 -1.022 1.00 0.00 H new ATOM 0 HB2 LYS B 8 8.786 -9.382 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.272 -8.768 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.624 -7.076 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.749 -7.053 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.714 -9.274 0.102 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.532 -9.376 -1.444 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.777 -7.311 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.828 -6.981 0.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.988 -7.868 0.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 12.773 -8.952 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 13.694 -9.272 0.083 1.00 0.00 H new ATOM 979 N GLY B 9 6.543 -5.829 -3.088 1.00 0.00 N ATOM 980 CA GLY B 9 6.190 -4.822 -4.079 1.00 0.00 C ATOM 981 C GLY B 9 4.695 -4.533 -4.150 1.00 0.00 C ATOM 982 O GLY B 9 4.290 -3.400 -4.389 1.00 0.00 O ATOM 0 H GLY B 9 5.753 -6.079 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.720 -3.897 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.535 -5.152 -5.059 1.00 0.00 H new ATOM 986 N GLU B 10 3.869 -5.521 -3.802 1.00 0.00 N ATOM 987 CA GLU B 10 2.439 -5.344 -3.502 1.00 0.00 C ATOM 988 C GLU B 10 2.196 -4.185 -2.512 1.00 0.00 C ATOM 989 O GLU B 10 1.280 -3.394 -2.715 1.00 0.00 O ATOM 990 CB GLU B 10 1.876 -6.673 -2.957 1.00 0.00 C ATOM 991 CG GLU B 10 1.705 -7.790 -4.004 1.00 0.00 C ATOM 992 CD GLU B 10 0.359 -7.701 -4.722 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.009 -6.786 -5.479 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.647 -8.409 -4.514 1.00 0.00 O ATOM 0 H GLU B 10 4.178 -6.489 -3.718 1.00 0.00 H new ATOM 0 HA GLU B 10 1.917 -5.076 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.537 -7.033 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.908 -6.477 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.511 -7.728 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.792 -8.761 -3.516 1.00 0.00 H new ATOM 1001 N LEU B 11 3.061 -3.996 -1.505 1.00 0.00 N ATOM 1002 CA LEU B 11 3.020 -2.918 -0.523 1.00 0.00 C ATOM 1003 C LEU B 11 3.746 -1.640 -0.912 1.00 0.00 C ATOM 1004 O LEU B 11 3.412 -0.577 -0.391 1.00 0.00 O ATOM 1005 CB LEU B 11 3.485 -3.535 0.797 1.00 0.00 C ATOM 1006 CG LEU B 11 5.010 -3.663 0.898 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.588 -2.514 1.723 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.394 -5.000 1.519 1.00 0.00 C ATOM 0 H LEU B 11 3.847 -4.628 -1.351 1.00 0.00 H new ATOM 0 HA LEU B 11 2.002 -2.538 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.122 -2.925 1.624 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.036 -4.522 0.908 1.00 0.00 H new ATOM 0 HG LEU B 11 5.426 -3.615 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.671 -2.620 1.785 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.343 -1.565 1.247 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.163 -2.537 2.727 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.480 -5.073 1.583 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.966 -5.073 2.519 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.011 -5.812 0.900 1.00 0.00 H new ATOM 1020 N GLN B 12 4.613 -1.705 -1.916 1.00 0.00 N ATOM 1021 CA GLN B 12 4.954 -0.533 -2.700 1.00 0.00 C ATOM 1022 C GLN B 12 3.704 -0.002 -3.439 1.00 0.00 C ATOM 1023 O GLN B 12 3.606 1.194 -3.682 1.00 0.00 O ATOM 1024 CB GLN B 12 6.129 -0.865 -3.632 1.00 0.00 C ATOM 1025 CG GLN B 12 7.003 0.368 -3.885 1.00 0.00 C ATOM 1026 CD GLN B 12 8.167 0.056 -4.825 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.935 -0.881 -4.638 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.346 0.828 -5.872 1.00 0.00 N ATOM 0 H GLN B 12 5.091 -2.559 -2.203 1.00 0.00 H new ATOM 0 HA GLN B 12 5.286 0.278 -2.052 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.733 -1.658 -3.191 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.748 -1.245 -4.580 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.393 1.164 -4.313 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.391 0.739 -2.936 1.00 0.00 H new ATOM 0 HE21 GLN B 12 7.716 1.612 -6.042 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.115 0.644 -6.516 1.00 0.00 H new ATOM 1037 N GLY B 13 2.700 -0.857 -3.694 1.00 0.00 N ATOM 1038 CA GLY B 13 1.357 -0.469 -4.132 1.00 0.00 C ATOM 1039 C GLY B 13 0.463 -0.002 -2.977 1.00 0.00 C ATOM 1040 O GLY B 13 -0.020 1.128 -3.019 1.00 0.00 O ATOM 0 H GLY B 13 2.808 -1.867 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.438 0.331 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.885 -1.315 -4.631 1.00 0.00 H new ATOM 1044 N ILE B 14 0.291 -0.807 -1.912 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.567 -0.470 -0.742 1.00 0.00 C ATOM 1046 C ILE B 14 -0.223 0.924 -0.191 1.00 0.00 C ATOM 1047 O ILE B 14 -1.109 1.755 0.026 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.466 -1.520 0.400 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.894 -2.936 -0.040 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.321 -1.120 1.620 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.423 -4.056 0.900 1.00 0.00 C ATOM 0 H ILE B 14 0.743 -1.718 -1.831 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.594 -0.476 -1.107 1.00 0.00 H new ATOM 0 HB ILE B 14 0.590 -1.540 0.669 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.981 -2.969 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.504 -3.127 -1.039 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.224 -1.879 2.397 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.978 -0.160 2.006 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.366 -1.038 1.321 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.765 -5.018 0.519 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.666 -4.053 0.953 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.835 -3.892 1.896 1.00 0.00 H new ATOM 1063 N LYS B 15 1.074 1.185 0.016 1.00 0.00 N ATOM 1064 CA LYS B 15 1.570 2.403 0.657 1.00 0.00 C ATOM 1065 C LYS B 15 1.515 3.638 -0.255 1.00 0.00 C ATOM 1066 O LYS B 15 1.393 4.757 0.242 1.00 0.00 O ATOM 1067 CB LYS B 15 2.969 2.112 1.236 1.00 0.00 C ATOM 1068 CG LYS B 15 3.335 3.024 2.416 1.00 0.00 C ATOM 1069 CD LYS B 15 4.574 2.483 3.151 1.00 0.00 C ATOM 1070 CE LYS B 15 4.878 3.248 4.447 1.00 0.00 C ATOM 1071 NZ LYS B 15 5.377 4.625 4.193 1.00 0.00 N ATOM 0 H LYS B 15 1.817 0.544 -0.262 1.00 0.00 H new ATOM 0 HA LYS B 15 0.905 2.674 1.477 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.012 1.073 1.561 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.713 2.231 0.449 1.00 0.00 H new ATOM 0 HG2 LYS B 15 3.531 4.034 2.056 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.495 3.089 3.107 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.421 1.429 3.384 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.438 2.541 2.489 1.00 0.00 H new ATOM 0 HE2 LYS B 15 3.975 3.299 5.055 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.620 2.697 5.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.567 5.098 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.254 4.579 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 4.660 5.162 3.666 1.00 0.00 H new ATOM 1085 N GLN B 16 1.528 3.449 -1.579 1.00 0.00 N ATOM 1086 CA GLN B 16 1.285 4.494 -2.575 1.00 0.00 C ATOM 1087 C GLN B 16 -0.204 4.815 -2.741 1.00 0.00 C ATOM 1088 O GLN B 16 -0.581 5.986 -2.769 1.00 0.00 O ATOM 1089 CB GLN B 16 1.896 4.049 -3.913 1.00 0.00 C ATOM 1090 CG GLN B 16 3.428 4.181 -3.972 1.00 0.00 C ATOM 1091 CD GLN B 16 3.908 5.615 -4.180 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.002 6.110 -5.293 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.237 6.340 -3.132 1.00 0.00 N ATOM 0 H GLN B 16 1.713 2.538 -1.998 1.00 0.00 H new ATOM 0 HA GLN B 16 1.758 5.413 -2.229 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.623 3.010 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.459 4.642 -4.716 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.854 3.794 -3.046 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.808 3.558 -4.782 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.165 5.944 -2.195 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.564 7.298 -3.257 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.072 3.803 -2.770 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.522 3.986 -2.846 1.00 0.00 C ATOM 1104 C TYR B 17 -3.082 4.786 -1.665 1.00 0.00 C ATOM 1105 O TYR B 17 -3.984 5.609 -1.840 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.227 2.631 -2.886 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.228 1.897 -4.217 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.664 2.554 -5.387 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.864 0.536 -4.277 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.715 1.860 -6.609 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.913 -0.163 -5.501 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.341 0.502 -6.672 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.455 -0.166 -7.852 1.00 0.00 O ATOM 0 H TYR B 17 -0.786 2.824 -2.741 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.710 4.548 -3.761 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.762 1.984 -2.142 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.262 2.778 -2.578 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.959 3.592 -5.344 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.546 0.026 -3.380 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -4.042 2.370 -7.503 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.624 -1.203 -5.543 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.219 -1.108 -7.719 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.530 4.577 -0.463 1.00 0.00 N ATOM 1124 CA ARG B 18 -2.924 5.321 0.741 1.00 0.00 C ATOM 1125 C ARG B 18 -2.621 6.828 0.654 1.00 0.00 C ATOM 1126 O ARG B 18 -3.247 7.619 1.357 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.309 4.670 1.995 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.319 3.762 2.715 1.00 0.00 C ATOM 1129 CD ARG B 18 -2.709 3.086 3.952 1.00 0.00 C ATOM 1130 NE ARG B 18 -3.744 2.403 4.759 1.00 0.00 N ATOM 1131 CZ ARG B 18 -4.075 1.122 4.747 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -3.500 0.236 3.993 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -5.019 0.657 5.505 1.00 0.00 N ATOM 0 H ARG B 18 -1.797 3.887 -0.297 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.009 5.258 0.819 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.433 4.087 1.710 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -1.966 5.447 2.678 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.186 4.351 3.015 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.676 2.998 2.024 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -1.954 2.364 3.639 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.202 3.832 4.564 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.268 2.993 5.405 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.747 0.513 3.364 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -3.801 -0.738 4.030 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.526 1.283 6.130 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -5.254 -0.335 5.476 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.707 7.229 -0.234 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.368 8.629 -0.542 1.00 0.00 C ATOM 1149 C GLU B 19 -2.156 9.159 -1.760 1.00 0.00 C ATOM 1150 O GLU B 19 -2.584 10.308 -1.788 1.00 0.00 O ATOM 1151 CB GLU B 19 0.149 8.681 -0.799 1.00 0.00 C ATOM 1152 CG GLU B 19 0.817 10.034 -0.493 1.00 0.00 C ATOM 1153 CD GLU B 19 0.668 11.080 -1.611 1.00 0.00 C ATOM 1154 OE1 GLU B 19 1.057 10.799 -2.773 1.00 0.00 O ATOM 1155 OE2 GLU B 19 0.237 12.226 -1.325 1.00 0.00 O ATOM 0 H GLU B 19 -1.159 6.565 -0.781 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.643 9.272 0.294 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.631 7.911 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.334 8.430 -1.844 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.390 10.437 0.425 1.00 0.00 H new ATOM 0 HG3 GLU B 19 1.878 9.868 -0.305 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.426 8.295 -2.739 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.179 8.562 -3.966 1.00 0.00 C ATOM 1164 C ALA B 20 -4.612 9.059 -3.713 1.00 0.00 C ATOM 1165 O ALA B 20 -5.124 9.881 -4.477 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.201 7.277 -4.802 1.00 0.00 C ATOM 0 H ALA B 20 -2.104 7.328 -2.694 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.678 9.371 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.757 7.452 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.180 6.984 -5.045 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.681 6.481 -4.233 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.257 8.606 -2.628 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.569 9.109 -2.207 1.00 0.00 C ATOM 1174 C LEU B 21 -6.542 10.614 -1.916 1.00 0.00 C ATOM 1175 O LEU B 21 -7.550 11.278 -2.140 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.097 8.278 -1.024 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.514 8.643 -0.528 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.214 7.398 0.021 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.497 9.672 0.610 1.00 0.00 C ATOM 0 H LEU B 21 -4.882 7.880 -2.018 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.269 8.987 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.092 7.227 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.402 8.384 -0.191 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.034 9.062 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.212 7.665 0.368 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.292 6.648 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -8.637 6.993 0.852 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.519 9.891 0.918 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -7.941 9.269 1.457 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.018 10.588 0.265 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.414 11.198 -1.496 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.364 12.651 -1.268 1.00 0.00 C ATOM 1193 C GLU B 22 -5.486 13.468 -2.568 1.00 0.00 C ATOM 1194 O GLU B 22 -6.045 14.567 -2.571 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.075 13.027 -0.531 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.191 12.766 0.977 1.00 0.00 C ATOM 1197 CD GLU B 22 -2.923 13.201 1.735 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -2.668 14.428 1.848 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -2.189 12.327 2.261 1.00 0.00 O ATOM 0 H GLU B 22 -4.542 10.703 -1.310 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.229 12.902 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.242 12.453 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.851 14.080 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.053 13.303 1.373 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.370 11.705 1.149 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.009 12.903 -3.677 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.067 13.475 -5.029 1.00 0.00 C ATOM 1208 C TYR B 23 -6.340 13.114 -5.826 1.00 0.00 C ATOM 1209 O TYR B 23 -6.576 13.704 -6.884 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.807 13.043 -5.799 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.594 13.920 -5.540 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -1.882 13.818 -4.329 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -2.189 14.853 -6.517 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -0.775 14.657 -4.090 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.079 15.688 -6.283 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.370 15.594 -5.065 1.00 0.00 C ATOM 1217 OH TYR B 23 0.700 16.402 -4.826 1.00 0.00 O ATOM 0 H TYR B 23 -4.550 11.992 -3.660 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.108 14.558 -4.914 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.564 12.015 -5.530 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.026 13.050 -6.867 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.184 13.097 -3.584 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -2.732 14.927 -7.448 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.235 14.583 -3.158 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.770 16.400 -7.034 1.00 0.00 H new ATOM 0 HH TYR B 23 0.847 16.988 -5.598 1.00 0.00 H new ATOM 1227 N THR B 24 -7.177 12.184 -5.345 1.00 0.00 N ATOM 1228 CA THR B 24 -8.327 11.635 -6.108 1.00 0.00 C ATOM 1229 C THR B 24 -9.650 11.591 -5.336 1.00 0.00 C ATOM 1230 O THR B 24 -10.713 11.747 -5.936 1.00 0.00 O ATOM 1231 CB THR B 24 -8.030 10.215 -6.618 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.726 9.376 -5.532 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.863 10.142 -7.601 1.00 0.00 C ATOM 0 H THR B 24 -7.082 11.784 -4.412 1.00 0.00 H new ATOM 0 HA THR B 24 -8.452 12.336 -6.933 1.00 0.00 H new ATOM 0 HB THR B 24 -8.930 9.896 -7.145 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.833 9.592 -5.192 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.716 9.109 -7.915 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.083 10.758 -8.473 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.957 10.507 -7.118 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.600 11.414 -4.014 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.718 11.274 -3.062 1.00 0.00 C ATOM 1243 C HIS B 25 -11.815 10.227 -3.406 1.00 0.00 C ATOM 1244 O HIS B 25 -12.875 10.220 -2.775 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.262 12.672 -2.702 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.370 13.381 -1.711 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.474 13.302 -0.332 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.278 14.149 -2.000 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.467 14.018 0.206 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.730 14.547 -0.793 1.00 0.00 N ATOM 0 H HIS B 25 -8.701 11.359 -3.535 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.295 10.812 -2.170 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.349 13.273 -3.607 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.265 12.576 -2.285 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.911 14.399 -2.985 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.281 14.147 1.262 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.908 15.140 -0.678 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.597 9.338 -4.382 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.598 8.368 -4.865 1.00 0.00 C ATOM 1261 C ASN B 26 -12.778 7.142 -3.935 1.00 0.00 C ATOM 1262 O ASN B 26 -11.822 6.716 -3.280 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.241 7.959 -6.312 1.00 0.00 C ATOM 1264 CG ASN B 26 -13.021 8.782 -7.330 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.983 8.195 -8.007 1.00 0.00 O flip ATOM 1266 ND2 ASN B 26 -12.805 9.968 -7.512 1.00 0.00 N flip ATOM 0 H ASN B 26 -10.704 9.268 -4.870 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.572 8.857 -4.854 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.172 8.092 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.456 6.900 -6.456 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.062 10.436 -6.994 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -13.368 10.492 -8.183 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.973 6.505 -3.925 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.250 5.296 -3.135 1.00 0.00 C ATOM 1275 C PRO B 27 -13.574 4.031 -3.691 1.00 0.00 C ATOM 1276 O PRO B 27 -13.530 3.000 -3.022 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.778 5.151 -3.152 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.170 5.755 -4.498 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.178 6.906 -4.648 1.00 0.00 C ATOM 0 HA PRO B 27 -13.843 5.401 -2.129 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -16.084 4.108 -3.074 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.242 5.683 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.078 5.032 -5.309 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.202 6.106 -4.500 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.957 7.094 -5.699 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.588 7.829 -4.238 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.037 4.085 -4.914 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.402 2.937 -5.590 1.00 0.00 C ATOM 1289 C VAL B 28 -11.119 2.481 -4.917 1.00 0.00 C ATOM 1290 O VAL B 28 -10.832 1.290 -4.869 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.172 3.259 -7.078 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -10.859 3.990 -7.391 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -12.260 1.980 -7.901 1.00 0.00 C ATOM 0 H VAL B 28 -13.028 4.937 -5.475 1.00 0.00 H new ATOM 0 HA VAL B 28 -13.092 2.097 -5.510 1.00 0.00 H new ATOM 0 HB VAL B 28 -12.963 3.958 -7.349 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -10.790 4.171 -8.464 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.837 4.942 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -10.016 3.377 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.097 2.213 -8.953 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -11.499 1.276 -7.563 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.247 1.535 -7.777 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.361 3.406 -4.331 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.156 3.074 -3.582 1.00 0.00 C ATOM 1305 C LEU B 29 -9.495 2.224 -2.344 1.00 0.00 C ATOM 1306 O LEU B 29 -8.755 1.294 -2.030 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.400 4.366 -3.247 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.913 5.130 -4.497 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.820 6.318 -4.826 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.497 5.660 -4.295 1.00 0.00 C ATOM 0 H LEU B 29 -10.567 4.405 -4.363 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.494 2.456 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.049 5.017 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.542 4.124 -2.620 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.936 4.417 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.443 6.829 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.832 5.961 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.832 7.011 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -6.177 6.194 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.481 6.338 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.820 4.827 -4.109 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.675 2.431 -1.746 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.259 1.573 -0.705 1.00 0.00 C ATOM 1324 C ALA B 30 -11.779 0.203 -1.221 1.00 0.00 C ATOM 1325 O ALA B 30 -12.411 -0.542 -0.471 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.342 2.369 0.039 1.00 0.00 C ATOM 0 H ALA B 30 -11.270 3.226 -1.980 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.461 1.300 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -12.784 1.744 0.815 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.895 3.252 0.495 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.116 2.676 -0.665 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.480 -0.158 -2.479 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.567 -1.506 -3.052 1.00 0.00 C ATOM 1334 C LYS B 31 -10.197 -1.993 -3.527 1.00 0.00 C ATOM 1335 O LYS B 31 -9.787 -3.088 -3.160 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.565 -1.556 -4.226 1.00 0.00 C ATOM 1337 CG LYS B 31 -14.000 -1.140 -3.875 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.881 -1.222 -5.134 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.337 -0.812 -4.870 1.00 0.00 C ATOM 1340 NZ LYS B 31 -17.074 -1.825 -4.066 1.00 0.00 N ATOM 0 H LYS B 31 -11.152 0.525 -3.162 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.924 -2.165 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.199 -0.908 -5.022 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.584 -2.570 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.398 -1.791 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.009 -0.125 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.462 -0.579 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.860 -2.241 -5.521 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.353 0.145 -4.348 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.848 -0.665 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -18.051 -1.504 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -17.083 -2.732 -4.574 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.603 -1.948 -3.147 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.459 -1.163 -4.270 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.136 -1.508 -4.822 1.00 0.00 C ATOM 1356 C ILE B 32 -7.148 -1.804 -3.692 1.00 0.00 C ATOM 1357 O ILE B 32 -6.730 -2.950 -3.526 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.590 -0.410 -5.764 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.526 -0.042 -6.935 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.268 -0.909 -6.362 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -8.145 1.301 -7.578 1.00 0.00 C ATOM 0 H ILE B 32 -9.763 -0.220 -4.511 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.258 -2.407 -5.426 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.480 0.488 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.489 -0.828 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.554 0.007 -6.576 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.862 -0.151 -7.031 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.556 -1.103 -5.560 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.445 -1.828 -6.920 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.830 1.520 -8.397 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.208 2.093 -6.831 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -7.127 1.245 -7.962 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.811 -0.800 -2.877 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.868 -0.982 -1.769 1.00 0.00 C ATOM 1375 C LEU B 33 -6.454 -1.866 -0.669 1.00 0.00 C ATOM 1376 O LEU B 33 -5.707 -2.571 0.005 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.311 0.371 -1.293 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.023 1.094 -0.133 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.554 0.629 1.249 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.754 2.597 -0.195 1.00 0.00 C ATOM 0 H LEU B 33 -7.177 0.148 -2.964 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.000 -1.537 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.273 0.217 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.304 1.046 -2.149 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.080 0.858 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.095 1.178 2.020 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -5.748 -0.438 1.359 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.485 0.816 1.352 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.264 3.092 0.631 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.682 2.778 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.124 2.994 -1.140 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.785 -1.885 -0.539 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.453 -2.816 0.366 1.00 0.00 C ATOM 1394 C GLU B 34 -8.174 -4.281 -0.012 1.00 0.00 C ATOM 1395 O GLU B 34 -7.916 -5.090 0.876 1.00 0.00 O ATOM 1396 CB GLU B 34 -9.958 -2.518 0.467 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.617 -3.356 1.574 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.078 -2.939 1.841 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.308 -2.033 2.681 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -13.007 -3.561 1.269 1.00 0.00 O ATOM 0 H GLU B 34 -8.416 -1.267 -1.049 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.031 -2.666 1.360 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.109 -1.458 0.671 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.438 -2.730 -0.488 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.589 -4.409 1.294 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.040 -3.255 2.493 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.143 -4.631 -1.304 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.820 -5.992 -1.737 1.00 0.00 C ATOM 1409 C ASP B 35 -6.332 -6.324 -1.622 1.00 0.00 C ATOM 1410 O ASP B 35 -5.989 -7.402 -1.137 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.220 -6.206 -3.191 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.715 -6.148 -3.531 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.567 -6.471 -2.666 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -10.010 -5.834 -4.711 1.00 0.00 O ATOM 0 H ASP B 35 -8.339 -3.986 -2.069 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.381 -6.646 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.709 -5.456 -3.794 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.841 -7.179 -3.504 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.433 -5.408 -2.001 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.989 -5.589 -1.806 1.00 0.00 C ATOM 1421 C GLU B 36 -3.629 -5.869 -0.333 1.00 0.00 C ATOM 1422 O GLU B 36 -2.638 -6.545 -0.055 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.233 -4.332 -2.276 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.443 -3.886 -3.733 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.879 -4.819 -4.795 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.401 -5.946 -4.519 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -2.924 -4.482 -6.004 1.00 0.00 O ATOM 0 H GLU B 36 -5.683 -4.526 -2.448 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.693 -6.455 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.517 -3.505 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.167 -4.504 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.513 -3.770 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.991 -2.903 -3.862 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.462 -5.413 0.609 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.288 -5.653 2.047 1.00 0.00 C ATOM 1436 C GLU B 37 -4.556 -7.121 2.435 1.00 0.00 C ATOM 1437 O GLU B 37 -3.999 -7.609 3.421 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.187 -4.688 2.834 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.639 -4.376 4.233 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.398 -3.204 4.877 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.442 -3.432 5.534 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -4.941 -2.041 4.742 1.00 0.00 O ATOM 0 H GLU B 37 -5.289 -4.858 0.391 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.246 -5.463 2.303 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.293 -3.759 2.274 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.183 -5.120 2.927 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.724 -5.260 4.866 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.579 -4.133 4.166 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.348 -7.848 1.628 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.449 -9.316 1.679 1.00 0.00 C ATOM 1451 C LYS B 38 -4.362 -10.002 0.864 1.00 0.00 C ATOM 1452 O LYS B 38 -3.782 -10.958 1.362 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.800 -9.844 1.164 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.012 -9.448 2.013 1.00 0.00 C ATOM 1455 CD LYS B 38 -8.776 -8.255 1.428 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.704 -8.654 0.270 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.000 -9.196 0.758 1.00 0.00 N ATOM 0 H LYS B 38 -5.943 -7.427 0.914 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.338 -9.554 2.737 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.952 -9.481 0.148 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.752 -10.932 1.110 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.686 -10.300 2.098 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.680 -9.203 3.022 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.366 -7.785 2.215 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -8.063 -7.510 1.076 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.889 -7.786 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.209 -9.401 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.597 -9.453 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -10.826 -10.040 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.485 -8.475 1.329 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.086 -9.552 -0.365 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.309 -10.257 -1.384 1.00 0.00 C ATOM 1473 C HIS B 39 -1.981 -10.851 -0.897 1.00 0.00 C ATOM 1474 O HIS B 39 -1.672 -12.004 -1.203 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.058 -9.258 -2.508 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.179 -9.004 -3.471 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.006 -8.334 -4.684 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.487 -9.365 -3.333 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.229 -8.294 -5.243 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.129 -8.918 -4.461 1.00 0.00 N ATOM 0 H HIS B 39 -4.415 -8.643 -0.689 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.886 -11.124 -1.704 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.780 -8.306 -2.056 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.196 -9.603 -3.079 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.138 -7.956 -5.065 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -5.929 -9.896 -2.503 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.457 -7.826 -6.189 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.120 -9.038 -4.671 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.216 -10.084 -0.116 1.00 0.00 N ATOM 1489 CA ILE B 40 0.062 -10.536 0.465 1.00 0.00 C ATOM 1490 C ILE B 40 -0.133 -11.731 1.409 1.00 0.00 C ATOM 1491 O ILE B 40 0.571 -12.734 1.293 1.00 0.00 O ATOM 1492 CB ILE B 40 0.763 -9.352 1.176 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.110 -8.265 0.133 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.029 -9.784 1.941 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.791 -7.024 0.717 1.00 0.00 C ATOM 0 H ILE B 40 -1.462 -9.127 0.135 1.00 0.00 H new ATOM 0 HA ILE B 40 0.705 -10.884 -0.343 1.00 0.00 H new ATOM 0 HB ILE B 40 0.072 -8.954 1.919 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.762 -8.700 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.194 -7.958 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.479 -8.914 2.420 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.762 -10.519 2.701 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.742 -10.225 1.245 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.999 -6.313 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.134 -6.561 1.453 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.726 -7.314 1.197 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.103 -11.664 2.323 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.428 -12.785 3.212 1.00 0.00 C ATOM 1509 C GLU B 41 -2.127 -13.930 2.465 1.00 0.00 C ATOM 1510 O GLU B 41 -1.845 -15.094 2.727 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.258 -12.308 4.412 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.415 -11.439 5.358 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.191 -11.063 6.634 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.394 -11.940 7.510 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.584 -9.881 6.790 1.00 0.00 O ATOM 0 H GLU B 41 -1.683 -10.838 2.469 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.487 -13.185 3.590 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.118 -11.738 4.060 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.647 -13.170 4.955 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.506 -11.975 5.630 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -1.107 -10.531 4.839 1.00 0.00 H new ATOM 1522 N TRP B 42 -2.967 -13.620 1.476 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.591 -14.586 0.571 1.00 0.00 C ATOM 1524 C TRP B 42 -2.577 -15.483 -0.149 1.00 0.00 C ATOM 1525 O TRP B 42 -2.744 -16.702 -0.113 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.512 -13.822 -0.398 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.911 -13.568 0.070 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.416 -13.855 1.292 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.008 -12.976 -0.688 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.759 -13.527 1.325 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.179 -12.980 0.129 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.127 -12.423 -1.981 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.409 -12.478 -0.324 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.348 -11.897 -2.439 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.491 -11.932 -1.619 1.00 0.00 C ATOM 0 H TRP B 42 -3.240 -12.658 1.277 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.189 -15.284 1.158 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.048 -12.862 -0.624 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.561 -14.380 -1.333 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.857 -14.275 2.115 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.364 -13.671 2.133 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.264 -12.403 -2.631 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.281 -12.510 0.312 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.409 -11.463 -3.426 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.430 -11.541 -1.983 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.500 -14.943 -0.738 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.474 -15.805 -1.348 1.00 0.00 C ATOM 1548 C LEU B 43 0.416 -16.516 -0.304 1.00 0.00 C ATOM 1549 O LEU B 43 0.859 -17.642 -0.539 1.00 0.00 O ATOM 1550 CB LEU B 43 0.278 -15.065 -2.463 1.00 0.00 C ATOM 1551 CG LEU B 43 1.369 -14.115 -1.968 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.746 -14.779 -2.003 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.404 -12.874 -2.851 1.00 0.00 C ATOM 0 H LEU B 43 -1.318 -13.942 -0.805 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.978 -16.634 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.729 -15.800 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.441 -14.497 -3.054 1.00 0.00 H new ATOM 0 HG LEU B 43 1.135 -13.847 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.498 -14.076 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.741 -15.662 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.982 -15.073 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU B 43 2.182 -12.198 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.617 -13.165 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.438 -12.370 -2.809 1.00 0.00 H new ATOM 1565 N GLU B 44 0.646 -15.902 0.866 1.00 0.00 N ATOM 1566 CA GLU B 44 1.478 -16.471 1.938 1.00 0.00 C ATOM 1567 C GLU B 44 0.804 -17.641 2.681 1.00 0.00 C ATOM 1568 O GLU B 44 1.454 -18.663 2.895 1.00 0.00 O ATOM 1569 CB GLU B 44 1.886 -15.370 2.928 1.00 0.00 C ATOM 1570 CG GLU B 44 2.976 -15.837 3.908 1.00 0.00 C ATOM 1571 CD GLU B 44 3.307 -14.763 4.947 1.00 0.00 C ATOM 1572 OE1 GLU B 44 4.202 -13.912 4.692 1.00 0.00 O ATOM 1573 OE2 GLU B 44 2.689 -14.763 6.046 1.00 0.00 O ATOM 0 H GLU B 44 0.256 -14.988 1.097 1.00 0.00 H new ATOM 0 HA GLU B 44 2.365 -16.885 1.459 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.246 -14.503 2.375 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.010 -15.048 3.490 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.644 -16.743 4.415 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.878 -16.095 3.352 1.00 0.00 H new ATOM 1580 N THR B 45 -0.482 -17.547 3.049 1.00 0.00 N ATOM 1581 CA THR B 45 -1.202 -18.574 3.838 1.00 0.00 C ATOM 1582 C THR B 45 -1.212 -19.955 3.163 1.00 0.00 C ATOM 1583 O THR B 45 -1.246 -20.984 3.843 1.00 0.00 O ATOM 1584 CB THR B 45 -2.639 -18.091 4.134 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.597 -17.003 5.037 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.570 -19.125 4.772 1.00 0.00 C ATOM 0 H THR B 45 -1.065 -16.746 2.807 1.00 0.00 H new ATOM 0 HA THR B 45 -0.660 -18.703 4.775 1.00 0.00 H new ATOM 0 HB THR B 45 -3.039 -17.842 3.151 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.330 -16.191 4.558 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.551 -18.679 4.936 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.668 -19.985 4.109 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.155 -19.449 5.726 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.136 -19.990 1.831 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.138 -21.214 1.015 1.00 0.00 C ATOM 1596 C ILE B 46 0.287 -21.752 0.764 1.00 0.00 C ATOM 1597 O ILE B 46 0.453 -22.924 0.425 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.875 -20.916 -0.316 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -3.241 -20.214 -0.115 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -2.093 -22.170 -1.176 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -4.259 -20.946 0.772 1.00 0.00 C ATOM 0 H ILE B 46 -1.069 -19.142 1.269 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.661 -22.001 1.558 1.00 0.00 H new ATOM 0 HB ILE B 46 -1.204 -20.236 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -3.059 -19.229 0.314 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -3.692 -20.056 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -2.613 -21.896 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -1.129 -22.613 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.692 -22.892 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -5.174 -20.358 0.837 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.484 -21.921 0.339 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.842 -21.080 1.770 1.00 0.00 H new