USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 850 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 29 ASN : amide:sc= -4.77! C(o=-4.8!,f=-5!) USER MOD Set 2.1: A 18 CYS SG : rot -130:sc= -3.06! USER MOD Set 2.2: A 75 SER OG : rot 172:sc=-0.00619 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 7 ASN : amide:sc= 0.169 K(o=0.17,f=-2.1!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.562) USER MOD Single : A 19 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.014) USER MOD Single : A 20 GLN : amide:sc= -2.2! C(o=-2.2!,f=-9.5!) USER MOD Single : A 24 TYR OH : rot 15:sc= -1.28 USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= -0.114 (180deg=-0.123) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -179:sc= -3.37! (180deg=-3.48!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -8.28! C(o=-8.3!,f=-14!) USER MOD Single : A 62 THR OG1 : rot -93:sc= -1.08 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00771 X(o=-0.0077,f=-0.092) USER MOD Single : A 73 SER OG : rot 17:sc= -2.76! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -167:sc= -2.87 (180deg=-3.74!) USER MOD Single : A 83 SER OG : rot 150:sc= -1.43! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -44:sc= 0.35 USER MOD Single : A 88 LYS NZ :NH3+ -149:sc= -0.612 (180deg=-1.4) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 8:sc= 0.573 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.138 3.009 -4.388 1.00 0.00 N ATOM 2 CA MET A 1 -15.073 3.713 -3.074 1.00 0.00 C ATOM 3 C MET A 1 -16.475 3.846 -2.474 1.00 0.00 C ATOM 4 O MET A 1 -17.112 4.875 -2.583 1.00 0.00 O ATOM 5 CB MET A 1 -14.493 5.091 -3.391 1.00 0.00 C ATOM 6 CG MET A 1 -13.762 5.633 -2.160 1.00 0.00 C ATOM 7 SD MET A 1 -14.626 7.098 -1.542 1.00 0.00 S ATOM 8 CE MET A 1 -13.247 7.796 -0.602 1.00 0.00 C ATOM 0 H1 MET A 1 -14.180 2.925 -4.785 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.541 2.060 -4.254 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.738 3.551 -5.043 1.00 0.00 H new ATOM 0 HA MET A 1 -14.467 3.173 -2.347 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.806 5.023 -4.234 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.290 5.774 -3.684 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.719 4.869 -1.384 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.733 5.886 -2.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.564 8.725 -0.127 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.932 7.086 0.163 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.414 7.998 -1.275 1.00 0.00 H new ATOM 20 N ALA A 2 -16.961 2.813 -1.841 1.00 0.00 N ATOM 21 CA ALA A 2 -18.321 2.880 -1.236 1.00 0.00 C ATOM 22 C ALA A 2 -18.613 1.599 -0.450 1.00 0.00 C ATOM 23 O ALA A 2 -18.563 0.508 -0.983 1.00 0.00 O ATOM 24 CB ALA A 2 -19.277 3.014 -2.421 1.00 0.00 C ATOM 0 H ALA A 2 -16.474 1.925 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.422 3.711 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.303 3.069 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.041 3.920 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.170 2.148 -3.074 1.00 0.00 H new ATOM 30 N GLU A 3 -18.917 1.723 0.813 1.00 0.00 N ATOM 31 CA GLU A 3 -19.210 0.511 1.631 1.00 0.00 C ATOM 32 C GLU A 3 -20.436 -0.220 1.079 1.00 0.00 C ATOM 33 O GLU A 3 -21.531 -0.090 1.591 1.00 0.00 O ATOM 34 CB GLU A 3 -19.489 1.042 3.038 1.00 0.00 C ATOM 35 CG GLU A 3 -18.167 1.225 3.787 1.00 0.00 C ATOM 36 CD GLU A 3 -17.888 2.717 3.971 1.00 0.00 C ATOM 37 OE1 GLU A 3 -18.830 3.489 3.905 1.00 0.00 O ATOM 38 OE2 GLU A 3 -16.736 3.063 4.175 1.00 0.00 O ATOM 0 H GLU A 3 -18.975 2.610 1.314 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.386 -0.203 1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.021 1.992 2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.132 0.348 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.215 0.731 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.354 0.758 3.231 1.00 0.00 H new ATOM 45 N ASN A 4 -20.263 -0.987 0.038 1.00 0.00 N ATOM 46 CA ASN A 4 -21.420 -1.727 -0.544 1.00 0.00 C ATOM 47 C ASN A 4 -21.355 -3.203 -0.143 1.00 0.00 C ATOM 48 O ASN A 4 -20.828 -4.029 -0.863 1.00 0.00 O ATOM 49 CB ASN A 4 -21.266 -1.575 -2.058 1.00 0.00 C ATOM 50 CG ASN A 4 -21.886 -0.249 -2.504 1.00 0.00 C ATOM 51 OD1 ASN A 4 -21.698 0.768 -1.864 1.00 0.00 O ATOM 52 ND2 ASN A 4 -22.620 -0.215 -3.581 1.00 0.00 N ATOM 0 H ASN A 4 -19.371 -1.134 -0.435 1.00 0.00 H new ATOM 0 HA ASN A 4 -22.377 -1.343 -0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -20.211 -1.606 -2.332 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -21.752 -2.406 -2.569 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -23.036 0.664 -3.887 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -22.778 -1.068 -4.118 1.00 0.00 H new ATOM 59 N GLY A 5 -21.886 -3.541 1.000 1.00 0.00 N ATOM 60 CA GLY A 5 -21.851 -4.963 1.445 1.00 0.00 C ATOM 61 C GLY A 5 -20.421 -5.338 1.837 1.00 0.00 C ATOM 62 O GLY A 5 -20.116 -6.488 2.084 1.00 0.00 O ATOM 0 H GLY A 5 -22.342 -2.895 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.522 -5.107 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.203 -5.615 0.645 1.00 0.00 H new ATOM 66 N ASP A 6 -19.541 -4.376 1.896 1.00 0.00 N ATOM 67 CA ASP A 6 -18.130 -4.676 2.270 1.00 0.00 C ATOM 68 C ASP A 6 -17.952 -4.571 3.788 1.00 0.00 C ATOM 69 O ASP A 6 -18.164 -3.529 4.377 1.00 0.00 O ATOM 70 CB ASP A 6 -17.295 -3.612 1.558 1.00 0.00 C ATOM 71 CG ASP A 6 -15.825 -3.771 1.949 1.00 0.00 C ATOM 72 OD1 ASP A 6 -15.184 -4.662 1.415 1.00 0.00 O ATOM 73 OD2 ASP A 6 -15.365 -3.001 2.775 1.00 0.00 O ATOM 0 H ASP A 6 -19.739 -3.394 1.701 1.00 0.00 H new ATOM 0 HA ASP A 6 -17.833 -5.685 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.408 -3.709 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.648 -2.617 1.827 1.00 0.00 H new ATOM 78 N ASN A 7 -17.565 -5.642 4.425 1.00 0.00 N ATOM 79 CA ASN A 7 -17.373 -5.602 5.903 1.00 0.00 C ATOM 80 C ASN A 7 -16.283 -4.591 6.269 1.00 0.00 C ATOM 81 O ASN A 7 -15.522 -4.153 5.429 1.00 0.00 O ATOM 82 CB ASN A 7 -16.941 -7.018 6.285 1.00 0.00 C ATOM 83 CG ASN A 7 -18.051 -8.006 5.920 1.00 0.00 C ATOM 84 OD1 ASN A 7 -18.212 -8.360 4.769 1.00 0.00 O ATOM 85 ND2 ASN A 7 -18.830 -8.469 6.860 1.00 0.00 N ATOM 0 H ASN A 7 -17.373 -6.543 3.986 1.00 0.00 H new ATOM 0 HA ASN A 7 -18.278 -5.296 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.020 -7.281 5.765 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -16.730 -7.070 7.353 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -19.573 -9.128 6.628 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -18.695 -8.172 7.826 1.00 0.00 H new ATOM 92 N GLU A 8 -16.204 -4.218 7.516 1.00 0.00 N ATOM 93 CA GLU A 8 -15.163 -3.236 7.937 1.00 0.00 C ATOM 94 C GLU A 8 -13.768 -3.853 7.803 1.00 0.00 C ATOM 95 O GLU A 8 -12.804 -3.173 7.513 1.00 0.00 O ATOM 96 CB GLU A 8 -15.476 -2.931 9.402 1.00 0.00 C ATOM 97 CG GLU A 8 -16.422 -1.731 9.483 1.00 0.00 C ATOM 98 CD GLU A 8 -15.803 -0.652 10.373 1.00 0.00 C ATOM 99 OE1 GLU A 8 -14.900 -0.978 11.125 1.00 0.00 O ATOM 100 OE2 GLU A 8 -16.243 0.483 10.286 1.00 0.00 O ATOM 0 H GLU A 8 -16.815 -4.550 8.263 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.172 -2.336 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.933 -3.800 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.555 -2.719 9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.607 -1.332 8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.386 -2.041 9.886 1.00 0.00 H new ATOM 107 N LYS A 9 -13.654 -5.136 8.015 1.00 0.00 N ATOM 108 CA LYS A 9 -12.321 -5.794 7.904 1.00 0.00 C ATOM 109 C LYS A 9 -11.688 -5.488 6.543 1.00 0.00 C ATOM 110 O LYS A 9 -10.559 -5.045 6.459 1.00 0.00 O ATOM 111 CB LYS A 9 -12.605 -7.289 8.039 1.00 0.00 C ATOM 112 CG LYS A 9 -11.351 -8.005 8.546 1.00 0.00 C ATOM 113 CD LYS A 9 -11.337 -7.990 10.075 1.00 0.00 C ATOM 114 CE LYS A 9 -10.703 -6.686 10.568 1.00 0.00 C ATOM 115 NZ LYS A 9 -10.340 -6.950 11.988 1.00 0.00 N ATOM 0 H LYS A 9 -14.426 -5.756 8.260 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.623 -5.441 8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.433 -7.451 8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.907 -7.701 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.334 -9.032 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.458 -7.515 8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.353 -8.081 10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.776 -8.845 10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.825 -6.426 9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.400 -5.852 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.899 -6.102 12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.197 -7.189 12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.670 -7.744 12.033 1.00 0.00 H new ATOM 129 N MET A 10 -12.404 -5.723 5.477 1.00 0.00 N ATOM 130 CA MET A 10 -11.837 -5.444 4.125 1.00 0.00 C ATOM 131 C MET A 10 -11.581 -3.946 3.960 1.00 0.00 C ATOM 132 O MET A 10 -10.584 -3.533 3.404 1.00 0.00 O ATOM 133 CB MET A 10 -12.906 -5.920 3.141 1.00 0.00 C ATOM 134 CG MET A 10 -13.019 -7.445 3.207 1.00 0.00 C ATOM 135 SD MET A 10 -13.721 -8.065 1.659 1.00 0.00 S ATOM 136 CE MET A 10 -12.161 -8.252 0.762 1.00 0.00 C ATOM 0 H MET A 10 -13.354 -6.095 5.483 1.00 0.00 H new ATOM 0 HA MET A 10 -10.884 -5.948 3.964 1.00 0.00 H new ATOM 0 HB2 MET A 10 -13.866 -5.463 3.381 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.649 -5.607 2.129 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.037 -7.886 3.376 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.649 -7.738 4.047 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.361 -8.631 -0.240 1.00 0.00 H new ATOM 0 HE2 MET A 10 -11.664 -7.285 0.692 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.517 -8.953 1.293 1.00 0.00 H new ATOM 146 N ALA A 11 -12.472 -3.131 4.447 1.00 0.00 N ATOM 147 CA ALA A 11 -12.280 -1.659 4.326 1.00 0.00 C ATOM 148 C ALA A 11 -10.974 -1.252 5.009 1.00 0.00 C ATOM 149 O ALA A 11 -10.198 -0.481 4.479 1.00 0.00 O ATOM 150 CB ALA A 11 -13.481 -1.042 5.046 1.00 0.00 C ATOM 0 H ALA A 11 -13.326 -3.420 4.924 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.218 -1.328 3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.413 0.045 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.402 -1.368 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.485 -1.363 6.088 1.00 0.00 H new ATOM 156 N ALA A 12 -10.723 -1.771 6.179 1.00 0.00 N ATOM 157 CA ALA A 12 -9.463 -1.424 6.895 1.00 0.00 C ATOM 158 C ALA A 12 -8.270 -2.069 6.188 1.00 0.00 C ATOM 159 O ALA A 12 -7.181 -1.531 6.167 1.00 0.00 O ATOM 160 CB ALA A 12 -9.633 -2.002 8.300 1.00 0.00 C ATOM 0 H ALA A 12 -11.336 -2.421 6.671 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.279 -0.350 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.743 -1.787 8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.503 -1.550 8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.774 -3.081 8.235 1.00 0.00 H new ATOM 166 N LEU A 13 -8.468 -3.222 5.607 1.00 0.00 N ATOM 167 CA LEU A 13 -7.347 -3.904 4.900 1.00 0.00 C ATOM 168 C LEU A 13 -6.815 -3.014 3.773 1.00 0.00 C ATOM 169 O LEU A 13 -5.623 -2.887 3.580 1.00 0.00 O ATOM 170 CB LEU A 13 -7.960 -5.182 4.329 1.00 0.00 C ATOM 171 CG LEU A 13 -6.920 -6.303 4.352 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.615 -5.802 3.732 1.00 0.00 C ATOM 173 CD2 LEU A 13 -6.665 -6.730 5.800 1.00 0.00 C ATOM 0 H LEU A 13 -9.358 -3.721 5.592 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.507 -4.115 5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.834 -5.471 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.301 -5.009 3.308 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.290 -7.154 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.874 -6.601 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.796 -5.496 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.244 -4.951 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.924 -7.529 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.295 -5.878 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.595 -7.087 6.243 1.00 0.00 H new ATOM 185 N GLU A 14 -7.692 -2.394 3.031 1.00 0.00 N ATOM 186 CA GLU A 14 -7.234 -1.508 1.921 1.00 0.00 C ATOM 187 C GLU A 14 -6.520 -0.282 2.491 1.00 0.00 C ATOM 188 O GLU A 14 -5.460 0.102 2.036 1.00 0.00 O ATOM 189 CB GLU A 14 -8.513 -1.091 1.196 1.00 0.00 C ATOM 190 CG GLU A 14 -8.158 -0.212 -0.004 1.00 0.00 C ATOM 191 CD GLU A 14 -8.854 1.143 0.131 1.00 0.00 C ATOM 192 OE1 GLU A 14 -10.068 1.179 0.011 1.00 0.00 O ATOM 193 OE2 GLU A 14 -8.161 2.123 0.353 1.00 0.00 O ATOM 0 H GLU A 14 -8.703 -2.462 3.144 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.531 -2.007 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.059 -1.974 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.168 -0.548 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.078 -0.074 -0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.465 -0.700 -0.929 1.00 0.00 H new ATOM 200 N ALA A 15 -7.096 0.333 3.487 1.00 0.00 N ATOM 201 CA ALA A 15 -6.457 1.534 4.092 1.00 0.00 C ATOM 202 C ALA A 15 -5.193 1.131 4.856 1.00 0.00 C ATOM 203 O ALA A 15 -4.237 1.877 4.930 1.00 0.00 O ATOM 204 CB ALA A 15 -7.509 2.094 5.047 1.00 0.00 C ATOM 0 H ALA A 15 -7.982 0.055 3.908 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.153 2.266 3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.118 2.985 5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.408 2.353 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.754 1.344 5.799 1.00 0.00 H new ATOM 210 N LYS A 16 -5.178 -0.046 5.420 1.00 0.00 N ATOM 211 CA LYS A 16 -3.972 -0.494 6.173 1.00 0.00 C ATOM 212 C LYS A 16 -2.749 -0.472 5.254 1.00 0.00 C ATOM 213 O LYS A 16 -1.679 -0.044 5.638 1.00 0.00 O ATOM 214 CB LYS A 16 -4.286 -1.923 6.617 1.00 0.00 C ATOM 215 CG LYS A 16 -3.329 -2.332 7.739 1.00 0.00 C ATOM 216 CD LYS A 16 -3.780 -3.668 8.335 1.00 0.00 C ATOM 217 CE LYS A 16 -5.066 -3.460 9.139 1.00 0.00 C ATOM 218 NZ LYS A 16 -5.826 -4.731 8.979 1.00 0.00 N ATOM 0 H LYS A 16 -5.947 -0.716 5.392 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.748 0.151 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.318 -1.989 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.188 -2.607 5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.314 -2.419 7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.310 -1.565 8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.949 -4.394 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.999 -4.074 8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.848 -3.259 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.634 -2.609 8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.406 -4.897 9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.443 -4.664 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.160 -5.520 8.855 1.00 0.00 H new ATOM 232 N ILE A 17 -2.902 -0.925 4.039 1.00 0.00 N ATOM 233 CA ILE A 17 -1.750 -0.924 3.092 1.00 0.00 C ATOM 234 C ILE A 17 -1.304 0.513 2.821 1.00 0.00 C ATOM 235 O ILE A 17 -0.131 0.827 2.837 1.00 0.00 O ATOM 236 CB ILE A 17 -2.295 -1.557 1.814 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.497 -3.055 2.037 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.301 -1.341 0.672 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.869 -3.472 1.503 1.00 0.00 C ATOM 0 H ILE A 17 -3.774 -1.295 3.661 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.888 -1.464 3.483 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.248 -1.094 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.712 -3.617 1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.422 -3.288 3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.691 -1.793 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.155 -0.272 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.347 -1.803 0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.012 -4.541 1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.647 -2.919 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.926 -3.254 0.437 1.00 0.00 H new ATOM 251 N CYS A 18 -2.239 1.387 2.574 1.00 0.00 N ATOM 252 CA CYS A 18 -1.880 2.808 2.303 1.00 0.00 C ATOM 253 C CYS A 18 -1.387 3.476 3.589 1.00 0.00 C ATOM 254 O CYS A 18 -0.434 4.232 3.582 1.00 0.00 O ATOM 255 CB CYS A 18 -3.178 3.460 1.824 1.00 0.00 C ATOM 256 SG CYS A 18 -2.790 4.808 0.680 1.00 0.00 S ATOM 0 H CYS A 18 -3.237 1.179 2.548 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.082 2.902 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.809 2.720 1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.741 3.842 2.675 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.432 5.880 1.039 1.00 0.00 H new ATOM 262 N HIS A 19 -2.025 3.201 4.693 1.00 0.00 N ATOM 263 CA HIS A 19 -1.592 3.817 5.979 1.00 0.00 C ATOM 264 C HIS A 19 -0.133 3.456 6.266 1.00 0.00 C ATOM 265 O HIS A 19 0.623 4.258 6.779 1.00 0.00 O ATOM 266 CB HIS A 19 -2.514 3.215 7.041 1.00 0.00 C ATOM 267 CG HIS A 19 -3.634 4.173 7.335 1.00 0.00 C ATOM 268 ND1 HIS A 19 -4.297 4.183 8.554 1.00 0.00 N ATOM 269 CD2 HIS A 19 -4.223 5.158 6.581 1.00 0.00 C ATOM 270 CE1 HIS A 19 -5.236 5.146 8.497 1.00 0.00 C ATOM 271 NE2 HIS A 19 -5.232 5.771 7.316 1.00 0.00 N ATOM 0 H HIS A 19 -2.828 2.576 4.760 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.655 4.905 5.959 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.917 2.264 6.691 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.951 3.007 7.951 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.945 5.417 5.570 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.910 5.384 9.307 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.839 6.534 7.017 1.00 0.00 H new ATOM 279 N GLN A 20 0.274 2.261 5.933 1.00 0.00 N ATOM 280 CA GLN A 20 1.688 1.869 6.186 1.00 0.00 C ATOM 281 C GLN A 20 2.611 2.757 5.353 1.00 0.00 C ATOM 282 O GLN A 20 3.561 3.330 5.855 1.00 0.00 O ATOM 283 CB GLN A 20 1.786 0.411 5.735 1.00 0.00 C ATOM 284 CG GLN A 20 2.315 -0.444 6.888 1.00 0.00 C ATOM 285 CD GLN A 20 1.334 -0.384 8.061 1.00 0.00 C ATOM 286 OE1 GLN A 20 0.661 0.610 8.254 1.00 0.00 O ATOM 287 NE2 GLN A 20 1.223 -1.412 8.856 1.00 0.00 N ATOM 0 H GLN A 20 -0.308 1.544 5.500 1.00 0.00 H new ATOM 0 HA GLN A 20 1.979 1.982 7.230 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.807 0.050 5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.449 0.329 4.873 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.444 -1.476 6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.295 -0.084 7.201 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.788 -2.246 8.694 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.571 -1.382 9.640 1.00 0.00 H new ATOM 296 N ILE A 21 2.321 2.905 4.088 1.00 0.00 N ATOM 297 CA ILE A 21 3.168 3.784 3.239 1.00 0.00 C ATOM 298 C ILE A 21 3.169 5.184 3.844 1.00 0.00 C ATOM 299 O ILE A 21 4.159 5.887 3.831 1.00 0.00 O ATOM 300 CB ILE A 21 2.496 3.789 1.867 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.461 2.363 1.310 1.00 0.00 C ATOM 302 CG2 ILE A 21 3.289 4.687 0.919 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.878 1.928 0.933 1.00 0.00 C ATOM 0 H ILE A 21 1.539 2.457 3.610 1.00 0.00 H new ATOM 0 HA ILE A 21 4.202 3.446 3.168 1.00 0.00 H new ATOM 0 HB ILE A 21 1.478 4.166 1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.045 1.681 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.811 2.318 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.812 4.693 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.315 5.702 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.307 4.308 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.854 0.913 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.277 2.604 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.515 1.957 1.817 1.00 0.00 H new ATOM 315 N GLU A 22 2.055 5.578 4.394 1.00 0.00 N ATOM 316 CA GLU A 22 1.962 6.918 5.031 1.00 0.00 C ATOM 317 C GLU A 22 2.971 7.017 6.178 1.00 0.00 C ATOM 318 O GLU A 22 3.522 8.064 6.444 1.00 0.00 O ATOM 319 CB GLU A 22 0.532 7.005 5.565 1.00 0.00 C ATOM 320 CG GLU A 22 0.102 8.471 5.634 1.00 0.00 C ATOM 321 CD GLU A 22 -0.023 8.900 7.097 1.00 0.00 C ATOM 322 OE1 GLU A 22 -0.912 8.401 7.767 1.00 0.00 O ATOM 323 OE2 GLU A 22 0.775 9.719 7.524 1.00 0.00 O ATOM 0 H GLU A 22 1.199 5.024 4.429 1.00 0.00 H new ATOM 0 HA GLU A 22 2.184 7.727 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.144 6.447 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.473 6.551 6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.831 9.099 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.851 8.606 5.122 1.00 0.00 H new ATOM 330 N TYR A 23 3.201 5.939 6.874 1.00 0.00 N ATOM 331 CA TYR A 23 4.162 5.983 8.013 1.00 0.00 C ATOM 332 C TYR A 23 5.574 6.346 7.527 1.00 0.00 C ATOM 333 O TYR A 23 6.240 7.171 8.121 1.00 0.00 O ATOM 334 CB TYR A 23 4.128 4.571 8.608 1.00 0.00 C ATOM 335 CG TYR A 23 5.484 4.211 9.167 1.00 0.00 C ATOM 336 CD1 TYR A 23 6.185 5.128 9.960 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.041 2.958 8.890 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.443 4.792 10.474 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.298 2.621 9.403 1.00 0.00 C ATOM 340 CZ TYR A 23 8.000 3.537 10.195 1.00 0.00 C ATOM 341 OH TYR A 23 9.240 3.205 10.701 1.00 0.00 O ATOM 0 H TYR A 23 2.767 5.032 6.705 1.00 0.00 H new ATOM 0 HA TYR A 23 3.894 6.742 8.748 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.376 4.518 9.395 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.839 3.852 7.842 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.755 6.095 10.175 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.500 2.250 8.279 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.984 5.500 11.085 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.727 1.654 9.188 1.00 0.00 H new ATOM 0 HH TYR A 23 9.478 2.299 10.414 1.00 0.00 H new ATOM 351 N TYR A 24 6.046 5.751 6.460 1.00 0.00 N ATOM 352 CA TYR A 24 7.423 6.105 5.982 1.00 0.00 C ATOM 353 C TYR A 24 7.408 7.434 5.225 1.00 0.00 C ATOM 354 O TYR A 24 8.313 8.236 5.341 1.00 0.00 O ATOM 355 CB TYR A 24 7.883 4.992 5.033 1.00 0.00 C ATOM 356 CG TYR A 24 7.150 3.706 5.304 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.569 2.856 6.333 1.00 0.00 C ATOM 358 CD2 TYR A 24 6.060 3.357 4.507 1.00 0.00 C ATOM 359 CE1 TYR A 24 6.892 1.654 6.564 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.381 2.159 4.737 1.00 0.00 C ATOM 361 CZ TYR A 24 5.796 1.305 5.766 1.00 0.00 C ATOM 362 OH TYR A 24 5.125 0.120 5.992 1.00 0.00 O ATOM 0 H TYR A 24 5.552 5.050 5.908 1.00 0.00 H new ATOM 0 HA TYR A 24 8.096 6.205 6.834 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.715 5.299 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.955 4.833 5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.414 3.127 6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.741 4.014 3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.214 0.996 7.357 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.535 1.891 4.121 1.00 0.00 H new ATOM 0 HH TYR A 24 5.376 -0.236 6.870 1.00 0.00 H new ATOM 372 N PHE A 25 6.405 7.660 4.422 1.00 0.00 N ATOM 373 CA PHE A 25 6.361 8.928 3.630 1.00 0.00 C ATOM 374 C PHE A 25 5.488 9.990 4.305 1.00 0.00 C ATOM 375 O PHE A 25 5.612 11.163 4.022 1.00 0.00 O ATOM 376 CB PHE A 25 5.758 8.526 2.284 1.00 0.00 C ATOM 377 CG PHE A 25 6.674 7.545 1.593 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.803 8.007 0.908 1.00 0.00 C ATOM 379 CD2 PHE A 25 6.392 6.174 1.637 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.652 7.096 0.265 1.00 0.00 C ATOM 381 CE2 PHE A 25 7.241 5.265 0.994 1.00 0.00 C ATOM 382 CZ PHE A 25 8.371 5.726 0.308 1.00 0.00 C ATOM 0 H PHE A 25 5.617 7.028 4.278 1.00 0.00 H new ATOM 0 HA PHE A 25 7.353 9.371 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.775 8.079 2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.615 9.408 1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.020 9.064 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.520 5.818 2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.524 7.452 -0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.024 4.208 1.027 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.026 5.024 -0.188 1.00 0.00 H new ATOM 392 N GLY A 26 4.586 9.591 5.158 1.00 0.00 N ATOM 393 CA GLY A 26 3.675 10.574 5.828 1.00 0.00 C ATOM 394 C GLY A 26 4.463 11.717 6.485 1.00 0.00 C ATOM 395 O GLY A 26 4.176 12.116 7.596 1.00 0.00 O ATOM 0 H GLY A 26 4.436 8.618 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.980 10.984 5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.078 10.062 6.583 1.00 0.00 H new ATOM 399 N ASP A 27 5.429 12.263 5.803 1.00 0.00 N ATOM 400 CA ASP A 27 6.215 13.399 6.372 1.00 0.00 C ATOM 401 C ASP A 27 6.903 13.032 7.694 1.00 0.00 C ATOM 402 O ASP A 27 7.781 13.736 8.145 1.00 0.00 O ATOM 403 CB ASP A 27 5.185 14.505 6.604 1.00 0.00 C ATOM 404 CG ASP A 27 4.496 14.848 5.282 1.00 0.00 C ATOM 405 OD1 ASP A 27 5.193 14.976 4.289 1.00 0.00 O ATOM 406 OD2 ASP A 27 3.283 14.977 5.285 1.00 0.00 O ATOM 0 H ASP A 27 5.712 11.971 4.868 1.00 0.00 H new ATOM 0 HA ASP A 27 7.018 13.694 5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.447 14.181 7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.672 15.390 7.012 1.00 0.00 H new ATOM 411 N PHE A 28 6.520 11.960 8.335 1.00 0.00 N ATOM 412 CA PHE A 28 7.179 11.612 9.627 1.00 0.00 C ATOM 413 C PHE A 28 8.521 10.918 9.387 1.00 0.00 C ATOM 414 O PHE A 28 9.527 11.267 9.973 1.00 0.00 O ATOM 415 CB PHE A 28 6.204 10.662 10.323 1.00 0.00 C ATOM 416 CG PHE A 28 6.458 10.679 11.813 1.00 0.00 C ATOM 417 CD1 PHE A 28 7.753 10.476 12.304 1.00 0.00 C ATOM 418 CD2 PHE A 28 5.397 10.895 12.700 1.00 0.00 C ATOM 419 CE1 PHE A 28 7.987 10.492 13.685 1.00 0.00 C ATOM 420 CE2 PHE A 28 5.631 10.911 14.080 1.00 0.00 C ATOM 421 CZ PHE A 28 6.926 10.708 14.573 1.00 0.00 C ATOM 0 H PHE A 28 5.790 11.318 8.026 1.00 0.00 H new ATOM 0 HA PHE A 28 7.392 12.498 10.225 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.177 10.962 10.115 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.325 9.651 9.934 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.571 10.307 11.619 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.398 11.049 12.320 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.986 10.338 14.065 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.813 11.080 14.765 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.106 10.718 15.638 1.00 0.00 H new ATOM 431 N ASN A 29 8.538 9.924 8.548 1.00 0.00 N ATOM 432 CA ASN A 29 9.805 9.182 8.276 1.00 0.00 C ATOM 433 C ASN A 29 10.725 9.944 7.311 1.00 0.00 C ATOM 434 O ASN A 29 11.931 9.855 7.396 1.00 0.00 O ATOM 435 CB ASN A 29 9.353 7.866 7.649 1.00 0.00 C ATOM 436 CG ASN A 29 9.735 6.703 8.568 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.621 6.804 9.774 1.00 0.00 O ATOM 438 ND2 ASN A 29 10.186 5.596 8.046 1.00 0.00 N ATOM 0 H ASN A 29 7.724 9.588 8.033 1.00 0.00 H new ATOM 0 HA ASN A 29 10.386 9.043 9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.275 7.878 7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.818 7.738 6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.443 4.815 8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.282 5.511 7.034 1.00 0.00 H new ATOM 445 N LEU A 30 10.167 10.654 6.369 1.00 0.00 N ATOM 446 CA LEU A 30 11.013 11.376 5.366 1.00 0.00 C ATOM 447 C LEU A 30 11.989 12.371 6.016 1.00 0.00 C ATOM 448 O LEU A 30 13.104 12.518 5.559 1.00 0.00 O ATOM 449 CB LEU A 30 10.013 12.115 4.479 1.00 0.00 C ATOM 450 CG LEU A 30 10.175 11.643 3.033 1.00 0.00 C ATOM 451 CD1 LEU A 30 8.911 10.904 2.592 1.00 0.00 C ATOM 452 CD2 LEU A 30 10.402 12.854 2.127 1.00 0.00 C ATOM 0 H LEU A 30 9.161 10.768 6.247 1.00 0.00 H new ATOM 0 HA LEU A 30 11.643 10.677 4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.996 11.927 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.178 13.191 4.543 1.00 0.00 H new ATOM 0 HG LEU A 30 11.030 10.970 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.027 10.568 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.749 10.042 3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.055 11.575 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.518 12.520 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.547 13.526 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.303 13.380 2.442 1.00 0.00 H new ATOM 464 N PRO A 31 11.546 13.031 7.049 1.00 0.00 N ATOM 465 CA PRO A 31 12.414 14.023 7.736 1.00 0.00 C ATOM 466 C PRO A 31 13.706 13.368 8.239 1.00 0.00 C ATOM 467 O PRO A 31 14.677 14.041 8.524 1.00 0.00 O ATOM 468 CB PRO A 31 11.570 14.506 8.915 1.00 0.00 C ATOM 469 CG PRO A 31 10.164 14.102 8.603 1.00 0.00 C ATOM 470 CD PRO A 31 10.224 12.929 7.661 1.00 0.00 C ATOM 0 HA PRO A 31 12.719 14.833 7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.908 14.056 9.848 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.649 15.586 9.035 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.632 13.833 9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.620 14.930 8.149 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.102 11.985 8.192 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.433 12.978 6.912 1.00 0.00 H new ATOM 478 N ARG A 32 13.734 12.069 8.352 1.00 0.00 N ATOM 479 CA ARG A 32 14.976 11.398 8.839 1.00 0.00 C ATOM 480 C ARG A 32 15.138 10.018 8.192 1.00 0.00 C ATOM 481 O ARG A 32 16.049 9.278 8.509 1.00 0.00 O ATOM 482 CB ARG A 32 14.784 11.263 10.349 1.00 0.00 C ATOM 483 CG ARG A 32 15.942 11.954 11.068 1.00 0.00 C ATOM 484 CD ARG A 32 16.115 11.351 12.463 1.00 0.00 C ATOM 485 NE ARG A 32 15.717 12.436 13.403 1.00 0.00 N ATOM 486 CZ ARG A 32 16.440 13.519 13.495 1.00 0.00 C ATOM 487 NH1 ARG A 32 17.512 13.655 12.762 1.00 0.00 N ATOM 488 NH2 ARG A 32 16.088 14.469 14.318 1.00 0.00 N ATOM 0 H ARG A 32 12.958 11.445 8.131 1.00 0.00 H new ATOM 0 HA ARG A 32 15.872 11.965 8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.836 11.710 10.648 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.743 10.211 10.629 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.861 11.837 10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 32 15.749 13.024 11.145 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.489 10.468 12.592 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.145 11.039 12.633 1.00 0.00 H new ATOM 0 HE ARG A 32 14.879 12.333 13.975 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.786 12.914 12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 32 18.076 14.502 12.835 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.249 14.365 14.888 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.652 15.316 14.391 1.00 0.00 H new ATOM 502 N ASP A 33 14.245 9.649 7.318 1.00 0.00 N ATOM 503 CA ASP A 33 14.328 8.301 6.686 1.00 0.00 C ATOM 504 C ASP A 33 15.637 8.130 5.911 1.00 0.00 C ATOM 505 O ASP A 33 15.771 8.563 4.784 1.00 0.00 O ATOM 506 CB ASP A 33 13.139 8.249 5.728 1.00 0.00 C ATOM 507 CG ASP A 33 12.065 7.323 6.300 1.00 0.00 C ATOM 508 OD1 ASP A 33 12.028 7.167 7.509 1.00 0.00 O ATOM 509 OD2 ASP A 33 11.298 6.783 5.519 1.00 0.00 O ATOM 0 H ASP A 33 13.459 10.223 7.013 1.00 0.00 H new ATOM 0 HA ASP A 33 14.306 7.505 7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.732 9.249 5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.461 7.890 4.750 1.00 0.00 H new ATOM 514 N LYS A 34 16.596 7.486 6.517 1.00 0.00 N ATOM 515 CA LYS A 34 17.904 7.259 5.831 1.00 0.00 C ATOM 516 C LYS A 34 17.744 6.183 4.759 1.00 0.00 C ATOM 517 O LYS A 34 18.210 6.321 3.646 1.00 0.00 O ATOM 518 CB LYS A 34 18.865 6.779 6.923 1.00 0.00 C ATOM 519 CG LYS A 34 18.583 7.521 8.229 1.00 0.00 C ATOM 520 CD LYS A 34 18.624 9.030 7.980 1.00 0.00 C ATOM 521 CE LYS A 34 20.080 9.504 7.958 1.00 0.00 C ATOM 522 NZ LYS A 34 20.385 9.745 6.520 1.00 0.00 N ATOM 0 H LYS A 34 16.532 7.105 7.461 1.00 0.00 H new ATOM 0 HA LYS A 34 18.271 8.161 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.751 5.705 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.896 6.950 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.607 7.233 8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.321 7.246 8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.139 9.266 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.072 9.553 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.208 10.413 8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 34 20.746 8.753 8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 21.382 10.024 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.212 8.875 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.774 10.505 6.158 1.00 0.00 H new ATOM 536 N PHE A 35 17.083 5.113 5.094 1.00 0.00 N ATOM 537 CA PHE A 35 16.881 4.016 4.102 1.00 0.00 C ATOM 538 C PHE A 35 15.962 4.498 2.976 1.00 0.00 C ATOM 539 O PHE A 35 16.205 4.252 1.809 1.00 0.00 O ATOM 540 CB PHE A 35 16.238 2.874 4.902 1.00 0.00 C ATOM 541 CG PHE A 35 14.840 2.600 4.396 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.755 3.323 4.908 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.630 1.620 3.419 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.461 3.065 4.441 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.336 1.362 2.953 1.00 0.00 C ATOM 546 CZ PHE A 35 12.251 2.083 3.464 1.00 0.00 C ATOM 0 H PHE A 35 16.672 4.948 6.013 1.00 0.00 H new ATOM 0 HA PHE A 35 17.809 3.695 3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 35 16.846 1.973 4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.204 3.136 5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.917 4.079 5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.467 1.063 3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.624 3.623 4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.175 0.606 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.252 1.883 3.105 1.00 0.00 H new ATOM 556 N LEU A 36 14.915 5.196 3.316 1.00 0.00 N ATOM 557 CA LEU A 36 13.988 5.711 2.271 1.00 0.00 C ATOM 558 C LEU A 36 14.727 6.717 1.386 1.00 0.00 C ATOM 559 O LEU A 36 14.504 6.801 0.195 1.00 0.00 O ATOM 560 CB LEU A 36 12.864 6.402 3.042 1.00 0.00 C ATOM 561 CG LEU A 36 11.532 6.168 2.329 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.702 6.420 0.829 1.00 0.00 C ATOM 563 CD2 LEU A 36 11.076 4.724 2.554 1.00 0.00 C ATOM 0 H LEU A 36 14.661 5.433 4.275 1.00 0.00 H new ATOM 0 HA LEU A 36 13.606 4.923 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.816 6.014 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.065 7.471 3.117 1.00 0.00 H new ATOM 0 HG LEU A 36 10.784 6.852 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.752 6.253 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.024 7.449 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.452 5.738 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.126 4.559 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.825 4.040 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.952 4.544 3.622 1.00 0.00 H new ATOM 575 N LYS A 37 15.618 7.471 1.970 1.00 0.00 N ATOM 576 CA LYS A 37 16.392 8.468 1.176 1.00 0.00 C ATOM 577 C LYS A 37 17.250 7.749 0.133 1.00 0.00 C ATOM 578 O LYS A 37 17.594 8.301 -0.894 1.00 0.00 O ATOM 579 CB LYS A 37 17.279 9.185 2.195 1.00 0.00 C ATOM 580 CG LYS A 37 17.015 10.692 2.130 1.00 0.00 C ATOM 581 CD LYS A 37 18.002 11.341 1.158 1.00 0.00 C ATOM 582 CE LYS A 37 18.260 12.788 1.583 1.00 0.00 C ATOM 583 NZ LYS A 37 17.163 13.576 0.954 1.00 0.00 N ATOM 0 H LYS A 37 15.844 7.440 2.964 1.00 0.00 H new ATOM 0 HA LYS A 37 15.747 9.163 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.074 8.812 3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.329 8.980 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.992 10.879 1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.120 11.134 3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.938 10.782 1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.602 11.314 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.246 12.889 2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.237 13.131 1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.272 14.581 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.205 13.466 -0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.245 13.232 1.301 1.00 0.00 H new ATOM 597 N GLU A 38 17.592 6.516 0.388 1.00 0.00 N ATOM 598 CA GLU A 38 18.423 5.753 -0.586 1.00 0.00 C ATOM 599 C GLU A 38 17.595 5.406 -1.826 1.00 0.00 C ATOM 600 O GLU A 38 18.037 5.573 -2.946 1.00 0.00 O ATOM 601 CB GLU A 38 18.837 4.481 0.156 1.00 0.00 C ATOM 602 CG GLU A 38 20.192 4.703 0.832 1.00 0.00 C ATOM 603 CD GLU A 38 20.831 3.351 1.152 1.00 0.00 C ATOM 604 OE1 GLU A 38 20.230 2.593 1.895 1.00 0.00 O ATOM 605 OE2 GLU A 38 21.913 3.096 0.647 1.00 0.00 O ATOM 0 H GLU A 38 17.331 6.003 1.230 1.00 0.00 H new ATOM 0 HA GLU A 38 19.287 6.323 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.085 4.221 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.899 3.645 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.846 5.281 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.063 5.282 1.747 1.00 0.00 H new ATOM 612 N GLN A 39 16.397 4.924 -1.635 1.00 0.00 N ATOM 613 CA GLN A 39 15.540 4.567 -2.804 1.00 0.00 C ATOM 614 C GLN A 39 15.083 5.831 -3.536 1.00 0.00 C ATOM 615 O GLN A 39 15.050 5.879 -4.751 1.00 0.00 O ATOM 616 CB GLN A 39 14.342 3.830 -2.205 1.00 0.00 C ATOM 617 CG GLN A 39 14.835 2.650 -1.365 1.00 0.00 C ATOM 618 CD GLN A 39 14.980 1.414 -2.255 1.00 0.00 C ATOM 619 OE1 GLN A 39 14.404 1.350 -3.323 1.00 0.00 O ATOM 620 NE2 GLN A 39 15.731 0.425 -1.858 1.00 0.00 N ATOM 0 H GLN A 39 15.974 4.762 -0.721 1.00 0.00 H new ATOM 0 HA GLN A 39 16.072 3.957 -3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.756 4.510 -1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.686 3.475 -3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.792 2.893 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.133 2.448 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.214 0.480 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.835 -0.403 -2.444 1.00 0.00 H new ATOM 629 N ILE A 40 14.731 6.855 -2.809 1.00 0.00 N ATOM 630 CA ILE A 40 14.277 8.112 -3.472 1.00 0.00 C ATOM 631 C ILE A 40 15.435 8.736 -4.256 1.00 0.00 C ATOM 632 O ILE A 40 15.252 9.277 -5.329 1.00 0.00 O ATOM 633 CB ILE A 40 13.827 9.040 -2.341 1.00 0.00 C ATOM 634 CG1 ILE A 40 15.053 9.598 -1.615 1.00 0.00 C ATOM 635 CG2 ILE A 40 12.956 8.266 -1.350 1.00 0.00 C ATOM 636 CD1 ILE A 40 14.609 10.670 -0.617 1.00 0.00 C ATOM 0 H ILE A 40 14.737 6.877 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 40 13.468 7.931 -4.180 1.00 0.00 H new ATOM 0 HB ILE A 40 13.249 9.862 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.577 8.796 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.753 10.023 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.639 8.932 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.079 7.875 -1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.529 7.439 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 40 15.481 11.068 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.104 11.476 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.925 10.230 0.109 1.00 0.00 H new ATOM 648 N LYS A 41 16.628 8.666 -3.728 1.00 0.00 N ATOM 649 CA LYS A 41 17.797 9.257 -4.441 1.00 0.00 C ATOM 650 C LYS A 41 18.257 8.332 -5.572 1.00 0.00 C ATOM 651 O LYS A 41 18.802 8.775 -6.564 1.00 0.00 O ATOM 652 CB LYS A 41 18.887 9.385 -3.376 1.00 0.00 C ATOM 653 CG LYS A 41 20.153 9.967 -4.008 1.00 0.00 C ATOM 654 CD LYS A 41 19.840 11.337 -4.613 1.00 0.00 C ATOM 655 CE LYS A 41 20.717 12.402 -3.949 1.00 0.00 C ATOM 656 NZ LYS A 41 19.765 13.273 -3.204 1.00 0.00 N ATOM 0 H LYS A 41 16.843 8.225 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 41 17.557 10.217 -4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.544 10.028 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 41 19.101 8.409 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.937 10.060 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.529 9.295 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.020 11.321 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.787 11.577 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.447 11.950 -3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.276 12.972 -4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.291 14.029 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.086 13.694 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.252 12.704 -2.500 1.00 0.00 H new ATOM 670 N LEU A 42 18.044 7.052 -5.433 1.00 0.00 N ATOM 671 CA LEU A 42 18.473 6.105 -6.505 1.00 0.00 C ATOM 672 C LEU A 42 18.097 6.663 -7.881 1.00 0.00 C ATOM 673 O LEU A 42 18.902 7.276 -8.553 1.00 0.00 O ATOM 674 CB LEU A 42 17.713 4.808 -6.221 1.00 0.00 C ATOM 675 CG LEU A 42 18.709 3.688 -5.921 1.00 0.00 C ATOM 676 CD1 LEU A 42 19.738 4.178 -4.900 1.00 0.00 C ATOM 677 CD2 LEU A 42 17.961 2.481 -5.351 1.00 0.00 C ATOM 0 H LEU A 42 17.593 6.620 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 42 19.551 5.947 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 42 17.040 4.946 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.096 4.540 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 42 19.219 3.400 -6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 42 20.448 3.379 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 42 20.271 5.038 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 42 19.229 4.466 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 42 18.670 1.681 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.451 2.770 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.228 2.131 -6.078 1.00 0.00 H new ATOM 689 N ASP A 43 16.878 6.462 -8.303 1.00 0.00 N ATOM 690 CA ASP A 43 16.453 6.987 -9.631 1.00 0.00 C ATOM 691 C ASP A 43 15.931 8.419 -9.476 1.00 0.00 C ATOM 692 O ASP A 43 16.631 9.293 -9.005 1.00 0.00 O ATOM 693 CB ASP A 43 15.336 6.048 -10.090 1.00 0.00 C ATOM 694 CG ASP A 43 15.889 4.629 -10.232 1.00 0.00 C ATOM 695 OD1 ASP A 43 16.734 4.426 -11.089 1.00 0.00 O ATOM 696 OD2 ASP A 43 15.457 3.768 -9.483 1.00 0.00 O ATOM 0 H ASP A 43 16.159 5.957 -7.785 1.00 0.00 H new ATOM 0 HA ASP A 43 17.270 7.020 -10.351 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.517 6.060 -9.370 1.00 0.00 H new ATOM 0 HB3 ASP A 43 14.929 6.388 -11.042 1.00 0.00 H new ATOM 701 N GLU A 44 14.707 8.669 -9.856 1.00 0.00 N ATOM 702 CA GLU A 44 14.152 10.044 -9.714 1.00 0.00 C ATOM 703 C GLU A 44 13.156 10.079 -8.553 1.00 0.00 C ATOM 704 O GLU A 44 12.087 10.648 -8.653 1.00 0.00 O ATOM 705 CB GLU A 44 13.445 10.329 -11.040 1.00 0.00 C ATOM 706 CG GLU A 44 13.596 11.810 -11.390 1.00 0.00 C ATOM 707 CD GLU A 44 13.219 12.028 -12.857 1.00 0.00 C ATOM 708 OE1 GLU A 44 12.107 11.684 -13.220 1.00 0.00 O ATOM 709 OE2 GLU A 44 14.050 12.536 -13.592 1.00 0.00 O ATOM 0 H GLU A 44 14.069 7.982 -10.258 1.00 0.00 H new ATOM 0 HA GLU A 44 14.922 10.786 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.871 9.712 -11.831 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.389 10.068 -10.965 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.957 12.414 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.622 12.133 -11.215 1.00 0.00 H new ATOM 716 N GLY A 45 13.501 9.469 -7.451 1.00 0.00 N ATOM 717 CA GLY A 45 12.579 9.460 -6.280 1.00 0.00 C ATOM 718 C GLY A 45 11.432 8.482 -6.542 1.00 0.00 C ATOM 719 O GLY A 45 10.273 8.841 -6.476 1.00 0.00 O ATOM 0 H GLY A 45 14.383 8.976 -7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.120 9.170 -5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.185 10.461 -6.106 1.00 0.00 H new ATOM 723 N TRP A 46 11.742 7.251 -6.841 1.00 0.00 N ATOM 724 CA TRP A 46 10.662 6.258 -7.107 1.00 0.00 C ATOM 725 C TRP A 46 10.979 4.924 -6.424 1.00 0.00 C ATOM 726 O TRP A 46 11.881 4.210 -6.819 1.00 0.00 O ATOM 727 CB TRP A 46 10.641 6.089 -8.626 1.00 0.00 C ATOM 728 CG TRP A 46 9.722 7.104 -9.229 1.00 0.00 C ATOM 729 CD1 TRP A 46 10.105 8.110 -10.047 1.00 0.00 C ATOM 730 CD2 TRP A 46 8.278 7.226 -9.076 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.988 8.843 -10.406 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.838 8.337 -9.834 1.00 0.00 C ATOM 733 CE3 TRP A 46 7.317 6.488 -8.361 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.491 8.704 -9.880 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.962 6.854 -8.405 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.550 7.959 -9.164 1.00 0.00 C ATOM 0 H TRP A 46 12.693 6.890 -6.913 1.00 0.00 H new ATOM 0 HA TRP A 46 9.699 6.589 -6.719 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.646 6.208 -9.030 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.310 5.083 -8.886 1.00 0.00 H new ATOM 0 HD1 TRP A 46 11.117 8.309 -10.368 1.00 0.00 H new ATOM 0 HE1 TRP A 46 9.011 9.658 -11.019 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.623 5.634 -7.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 6.179 9.557 -10.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.233 6.281 -7.851 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.506 8.234 -9.195 1.00 0.00 H new ATOM 747 N VAL A 47 10.236 4.579 -5.408 1.00 0.00 N ATOM 748 CA VAL A 47 10.484 3.288 -4.703 1.00 0.00 C ATOM 749 C VAL A 47 9.440 2.254 -5.135 1.00 0.00 C ATOM 750 O VAL A 47 8.294 2.590 -5.354 1.00 0.00 O ATOM 751 CB VAL A 47 10.337 3.613 -3.217 1.00 0.00 C ATOM 752 CG1 VAL A 47 10.623 2.360 -2.388 1.00 0.00 C ATOM 753 CG2 VAL A 47 11.333 4.712 -2.837 1.00 0.00 C ATOM 0 H VAL A 47 9.467 5.136 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 47 11.465 2.869 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 47 9.321 3.955 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.518 2.593 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.916 1.575 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.639 2.017 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.230 4.946 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.348 4.368 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.131 5.606 -3.427 1.00 0.00 H new ATOM 763 N PRO A 48 9.870 1.025 -5.254 1.00 0.00 N ATOM 764 CA PRO A 48 8.971 -0.062 -5.672 1.00 0.00 C ATOM 765 C PRO A 48 8.306 -0.702 -4.453 1.00 0.00 C ATOM 766 O PRO A 48 8.852 -0.708 -3.368 1.00 0.00 O ATOM 767 CB PRO A 48 9.912 -1.061 -6.343 1.00 0.00 C ATOM 768 CG PRO A 48 11.306 -0.676 -5.930 1.00 0.00 C ATOM 769 CD PRO A 48 11.214 0.522 -5.017 1.00 0.00 C ATOM 0 HA PRO A 48 8.166 0.277 -6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.682 -2.080 -6.032 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.805 -1.027 -7.427 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.794 -1.506 -5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.911 -0.441 -6.806 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.361 0.244 -3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.971 1.269 -5.257 1.00 0.00 H new ATOM 777 N LEU A 49 7.135 -1.239 -4.625 1.00 0.00 N ATOM 778 CA LEU A 49 6.439 -1.882 -3.471 1.00 0.00 C ATOM 779 C LEU A 49 7.230 -3.105 -3.006 1.00 0.00 C ATOM 780 O LEU A 49 6.866 -3.768 -2.056 1.00 0.00 O ATOM 781 CB LEU A 49 5.078 -2.312 -4.011 1.00 0.00 C ATOM 782 CG LEU A 49 4.260 -1.078 -4.392 1.00 0.00 C ATOM 783 CD1 LEU A 49 2.897 -1.518 -4.927 1.00 0.00 C ATOM 784 CD2 LEU A 49 4.062 -0.198 -3.156 1.00 0.00 C ATOM 0 H LEU A 49 6.627 -1.263 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 49 6.344 -1.208 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.208 -2.956 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.546 -2.895 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 49 4.788 -0.513 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.312 -0.639 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.037 -2.147 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.369 -2.081 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.479 0.682 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.533 -0.763 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.033 0.114 -2.772 1.00 0.00 H new ATOM 796 N GLU A 50 8.323 -3.390 -3.654 1.00 0.00 N ATOM 797 CA GLU A 50 9.153 -4.551 -3.238 1.00 0.00 C ATOM 798 C GLU A 50 9.712 -4.278 -1.857 1.00 0.00 C ATOM 799 O GLU A 50 9.608 -5.073 -0.945 1.00 0.00 O ATOM 800 CB GLU A 50 10.292 -4.593 -4.249 1.00 0.00 C ATOM 801 CG GLU A 50 11.340 -5.605 -3.788 1.00 0.00 C ATOM 802 CD GLU A 50 12.516 -5.605 -4.766 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.821 -4.548 -5.293 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.091 -6.660 -4.971 1.00 0.00 O ATOM 0 H GLU A 50 8.678 -2.868 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 50 8.594 -5.486 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.911 -4.869 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.742 -3.605 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.687 -5.354 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.900 -6.601 -3.733 1.00 0.00 H new ATOM 811 N ILE A 51 10.305 -3.137 -1.717 1.00 0.00 N ATOM 812 CA ILE A 51 10.895 -2.742 -0.411 1.00 0.00 C ATOM 813 C ILE A 51 9.786 -2.582 0.633 1.00 0.00 C ATOM 814 O ILE A 51 9.969 -2.866 1.799 1.00 0.00 O ATOM 815 CB ILE A 51 11.570 -1.394 -0.679 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.833 -1.573 -1.539 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.963 -0.762 0.654 1.00 0.00 C ATOM 818 CD1 ILE A 51 12.688 -2.776 -2.473 1.00 0.00 C ATOM 0 H ILE A 51 10.410 -2.447 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 51 11.596 -3.483 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 51 10.870 -0.754 -1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.010 -0.671 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 51 13.701 -1.710 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.445 0.199 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.071 -0.612 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.654 -1.421 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.593 -2.883 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.535 -3.679 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.833 -2.624 -3.132 1.00 0.00 H new ATOM 830 N MET A 52 8.634 -2.131 0.214 1.00 0.00 N ATOM 831 CA MET A 52 7.507 -1.958 1.177 1.00 0.00 C ATOM 832 C MET A 52 6.846 -3.306 1.487 1.00 0.00 C ATOM 833 O MET A 52 6.539 -3.609 2.622 1.00 0.00 O ATOM 834 CB MET A 52 6.523 -1.027 0.468 1.00 0.00 C ATOM 835 CG MET A 52 6.569 0.356 1.121 1.00 0.00 C ATOM 836 SD MET A 52 8.290 0.906 1.249 1.00 0.00 S ATOM 837 CE MET A 52 8.089 1.947 2.716 1.00 0.00 C ATOM 0 H MET A 52 8.424 -1.875 -0.751 1.00 0.00 H new ATOM 0 HA MET A 52 7.843 -1.552 2.131 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.776 -0.950 -0.589 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.514 -1.435 0.526 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.991 1.068 0.531 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.114 0.318 2.111 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.043 2.410 2.967 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.352 2.724 2.513 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.751 1.336 3.552 1.00 0.00 H new ATOM 847 N ILE A 53 6.605 -4.108 0.483 1.00 0.00 N ATOM 848 CA ILE A 53 5.939 -5.423 0.722 1.00 0.00 C ATOM 849 C ILE A 53 6.940 -6.465 1.231 1.00 0.00 C ATOM 850 O ILE A 53 6.576 -7.580 1.542 1.00 0.00 O ATOM 851 CB ILE A 53 5.373 -5.842 -0.635 1.00 0.00 C ATOM 852 CG1 ILE A 53 6.518 -6.263 -1.558 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.616 -4.669 -1.261 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.414 -7.762 -1.843 1.00 0.00 C ATOM 0 H ILE A 53 6.840 -3.910 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 53 5.163 -5.345 1.483 1.00 0.00 H new ATOM 0 HB ILE A 53 4.690 -6.680 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.474 -5.700 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.477 -6.035 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.214 -4.970 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.798 -4.372 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.296 -3.828 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.229 -8.065 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.479 -8.316 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.460 -7.975 -2.325 1.00 0.00 H new ATOM 866 N LYS A 54 8.193 -6.116 1.331 1.00 0.00 N ATOM 867 CA LYS A 54 9.193 -7.100 1.836 1.00 0.00 C ATOM 868 C LYS A 54 9.636 -6.706 3.246 1.00 0.00 C ATOM 869 O LYS A 54 10.237 -7.483 3.961 1.00 0.00 O ATOM 870 CB LYS A 54 10.365 -7.032 0.853 1.00 0.00 C ATOM 871 CG LYS A 54 11.219 -5.795 1.142 1.00 0.00 C ATOM 872 CD LYS A 54 12.622 -6.232 1.572 1.00 0.00 C ATOM 873 CE LYS A 54 12.575 -6.776 3.002 1.00 0.00 C ATOM 874 NZ LYS A 54 13.957 -6.595 3.528 1.00 0.00 N ATOM 0 H LYS A 54 8.566 -5.199 1.087 1.00 0.00 H new ATOM 0 HA LYS A 54 8.789 -8.111 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.974 -7.932 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.991 -6.995 -0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.279 -5.166 0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.757 -5.196 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.999 -6.997 0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.310 -5.388 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.848 -6.234 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.282 -7.826 3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.005 -6.945 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.626 -7.128 2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.206 -5.585 3.509 1.00 0.00 H new ATOM 888 N PHE A 55 9.334 -5.502 3.651 1.00 0.00 N ATOM 889 CA PHE A 55 9.726 -5.051 5.017 1.00 0.00 C ATOM 890 C PHE A 55 8.880 -5.779 6.067 1.00 0.00 C ATOM 891 O PHE A 55 7.712 -6.043 5.860 1.00 0.00 O ATOM 892 CB PHE A 55 9.439 -3.548 5.033 1.00 0.00 C ATOM 893 CG PHE A 55 10.664 -2.793 4.569 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.601 -3.419 3.738 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.866 -1.469 4.976 1.00 0.00 C ATOM 896 CE1 PHE A 55 12.737 -2.722 3.313 1.00 0.00 C ATOM 897 CE2 PHE A 55 12.004 -0.771 4.552 1.00 0.00 C ATOM 898 CZ PHE A 55 12.939 -1.399 3.721 1.00 0.00 C ATOM 0 H PHE A 55 8.832 -4.810 3.094 1.00 0.00 H new ATOM 0 HA PHE A 55 10.770 -5.264 5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.593 -3.322 4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.163 -3.231 6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.447 -4.441 3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.144 -0.985 5.617 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.458 -3.205 2.670 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.160 0.251 4.866 1.00 0.00 H new ATOM 0 HZ PHE A 55 13.817 -0.862 3.394 1.00 0.00 H new ATOM 908 N ASN A 56 9.461 -6.113 7.185 1.00 0.00 N ATOM 909 CA ASN A 56 8.691 -6.834 8.240 1.00 0.00 C ATOM 910 C ASN A 56 7.586 -5.942 8.816 1.00 0.00 C ATOM 911 O ASN A 56 6.545 -6.416 9.224 1.00 0.00 O ATOM 912 CB ASN A 56 9.720 -7.170 9.320 1.00 0.00 C ATOM 913 CG ASN A 56 9.772 -8.686 9.521 1.00 0.00 C ATOM 914 OD1 ASN A 56 10.790 -9.307 9.294 1.00 0.00 O ATOM 915 ND2 ASN A 56 8.706 -9.311 9.943 1.00 0.00 N ATOM 0 H ASN A 56 10.435 -5.919 7.415 1.00 0.00 H new ATOM 0 HA ASN A 56 8.199 -7.723 7.846 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.702 -6.797 9.030 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.455 -6.677 10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.729 -10.321 10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.851 -8.789 10.134 1.00 0.00 H new ATOM 922 N ARG A 57 7.803 -4.656 8.856 1.00 0.00 N ATOM 923 CA ARG A 57 6.759 -3.746 9.413 1.00 0.00 C ATOM 924 C ARG A 57 5.534 -3.709 8.495 1.00 0.00 C ATOM 925 O ARG A 57 4.441 -3.387 8.917 1.00 0.00 O ATOM 926 CB ARG A 57 7.424 -2.370 9.482 1.00 0.00 C ATOM 927 CG ARG A 57 7.846 -1.934 8.079 1.00 0.00 C ATOM 928 CD ARG A 57 8.986 -0.917 8.181 1.00 0.00 C ATOM 929 NE ARG A 57 10.105 -1.660 8.826 1.00 0.00 N ATOM 930 CZ ARG A 57 11.207 -1.035 9.143 1.00 0.00 C ATOM 931 NH1 ARG A 57 11.331 0.241 8.894 1.00 0.00 N ATOM 932 NH2 ARG A 57 12.185 -1.686 9.710 1.00 0.00 N ATOM 0 H ARG A 57 8.653 -4.197 8.529 1.00 0.00 H new ATOM 0 HA ARG A 57 6.407 -4.077 10.390 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.733 -1.642 9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.293 -2.407 10.139 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.167 -2.799 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.998 -1.495 7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.273 -0.546 7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.692 -0.052 8.775 1.00 0.00 H new ATOM 0 HE ARG A 57 10.010 -2.657 9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.566 0.751 8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.192 0.728 9.142 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.089 -2.682 9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.046 -1.199 9.958 1.00 0.00 H new ATOM 946 N LEU A 58 5.704 -4.032 7.241 1.00 0.00 N ATOM 947 CA LEU A 58 4.543 -4.010 6.304 1.00 0.00 C ATOM 948 C LEU A 58 4.187 -5.432 5.857 1.00 0.00 C ATOM 949 O LEU A 58 3.039 -5.831 5.881 1.00 0.00 O ATOM 950 CB LEU A 58 5.011 -3.176 5.111 1.00 0.00 C ATOM 951 CG LEU A 58 3.797 -2.681 4.323 1.00 0.00 C ATOM 952 CD1 LEU A 58 4.250 -1.671 3.268 1.00 0.00 C ATOM 953 CD2 LEU A 58 3.119 -3.867 3.633 1.00 0.00 C ATOM 0 H LEU A 58 6.593 -4.309 6.826 1.00 0.00 H new ATOM 0 HA LEU A 58 3.650 -3.594 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.603 -2.329 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.656 -3.774 4.467 1.00 0.00 H new ATOM 0 HG LEU A 58 3.092 -2.204 5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.385 -1.318 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.734 -0.826 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.955 -2.148 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.254 -3.515 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.824 -4.344 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.795 -4.588 4.384 1.00 0.00 H new ATOM 965 N ASN A 59 5.161 -6.197 5.448 1.00 0.00 N ATOM 966 CA ASN A 59 4.876 -7.590 4.995 1.00 0.00 C ATOM 967 C ASN A 59 4.147 -8.369 6.093 1.00 0.00 C ATOM 968 O ASN A 59 3.480 -9.351 5.831 1.00 0.00 O ATOM 969 CB ASN A 59 6.248 -8.207 4.722 1.00 0.00 C ATOM 970 CG ASN A 59 6.118 -9.729 4.638 1.00 0.00 C ATOM 971 OD1 ASN A 59 5.055 -10.246 4.356 1.00 0.00 O ATOM 972 ND2 ASN A 59 7.164 -10.475 4.873 1.00 0.00 N ATOM 0 H ASN A 59 6.142 -5.919 5.407 1.00 0.00 H new ATOM 0 HA ASN A 59 4.235 -7.612 4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.656 -7.815 3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.945 -7.934 5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.088 -11.491 4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.057 -10.042 5.110 1.00 0.00 H new ATOM 979 N ARG A 60 4.272 -7.944 7.320 1.00 0.00 N ATOM 980 CA ARG A 60 3.589 -8.664 8.433 1.00 0.00 C ATOM 981 C ARG A 60 2.102 -8.856 8.119 1.00 0.00 C ATOM 982 O ARG A 60 1.437 -9.683 8.710 1.00 0.00 O ATOM 983 CB ARG A 60 3.767 -7.763 9.655 1.00 0.00 C ATOM 984 CG ARG A 60 3.053 -8.386 10.856 1.00 0.00 C ATOM 985 CD ARG A 60 2.282 -7.300 11.611 1.00 0.00 C ATOM 986 NE ARG A 60 1.770 -7.974 12.836 1.00 0.00 N ATOM 987 CZ ARG A 60 1.183 -7.276 13.770 1.00 0.00 C ATOM 988 NH1 ARG A 60 1.044 -5.985 13.633 1.00 0.00 N ATOM 989 NH2 ARG A 60 0.733 -7.869 14.842 1.00 0.00 N ATOM 0 H ARG A 60 4.818 -7.129 7.601 1.00 0.00 H new ATOM 0 HA ARG A 60 4.005 -9.659 8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.827 -7.635 9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.362 -6.772 9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.369 -9.166 10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.778 -8.859 11.518 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.929 -6.460 11.864 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.465 -6.904 11.008 1.00 0.00 H new ATOM 0 HE ARG A 60 1.878 -8.982 12.946 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.394 -5.520 12.795 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.585 -5.441 14.364 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.840 -8.878 14.950 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.274 -7.324 15.572 1.00 0.00 H new ATOM 1003 N LEU A 61 1.570 -8.097 7.199 1.00 0.00 N ATOM 1004 CA LEU A 61 0.124 -8.243 6.863 1.00 0.00 C ATOM 1005 C LEU A 61 -0.056 -8.517 5.365 1.00 0.00 C ATOM 1006 O LEU A 61 0.046 -9.641 4.914 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.510 -6.906 7.248 1.00 0.00 C ATOM 1008 CG LEU A 61 -1.009 -6.975 8.692 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -0.576 -5.715 9.443 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.536 -7.074 8.701 1.00 0.00 C ATOM 0 H LEU A 61 2.071 -7.385 6.668 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.337 -9.079 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.218 -6.102 7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.338 -6.677 6.577 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.585 -7.853 9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.932 -5.764 10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.512 -5.644 9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.999 -4.837 8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.891 -7.123 9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.960 -6.197 8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.846 -7.972 8.167 1.00 0.00 H new ATOM 1022 N THR A 62 -0.330 -7.501 4.591 1.00 0.00 N ATOM 1023 CA THR A 62 -0.523 -7.710 3.126 1.00 0.00 C ATOM 1024 C THR A 62 0.823 -7.655 2.395 1.00 0.00 C ATOM 1025 O THR A 62 1.706 -6.904 2.756 1.00 0.00 O ATOM 1026 CB THR A 62 -1.423 -6.559 2.678 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.731 -6.753 3.199 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.482 -6.517 1.150 1.00 0.00 C ATOM 0 H THR A 62 -0.428 -6.537 4.909 1.00 0.00 H new ATOM 0 HA THR A 62 -0.961 -8.683 2.904 1.00 0.00 H new ATOM 0 HB THR A 62 -1.019 -5.617 3.049 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.278 -7.230 2.541 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.124 -5.695 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.479 -6.368 0.751 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.885 -7.458 0.775 1.00 0.00 H new ATOM 1036 N THR A 63 0.982 -8.446 1.368 1.00 0.00 N ATOM 1037 CA THR A 63 2.267 -8.441 0.611 1.00 0.00 C ATOM 1038 C THR A 63 2.011 -8.680 -0.880 1.00 0.00 C ATOM 1039 O THR A 63 2.929 -8.860 -1.655 1.00 0.00 O ATOM 1040 CB THR A 63 3.080 -9.593 1.204 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.196 -10.600 1.677 1.00 0.00 O ATOM 1042 CG2 THR A 63 3.934 -9.076 2.362 1.00 0.00 C ATOM 0 H THR A 63 0.277 -9.096 1.020 1.00 0.00 H new ATOM 0 HA THR A 63 2.787 -7.487 0.693 1.00 0.00 H new ATOM 0 HB THR A 63 3.731 -10.011 0.436 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.715 -11.340 2.056 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.512 -9.898 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.612 -8.304 1.998 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.287 -8.656 3.132 1.00 0.00 H new ATOM 1050 N ASP A 64 0.770 -8.688 -1.287 1.00 0.00 N ATOM 1051 CA ASP A 64 0.462 -8.919 -2.728 1.00 0.00 C ATOM 1052 C ASP A 64 0.540 -7.603 -3.507 1.00 0.00 C ATOM 1053 O ASP A 64 -0.379 -6.809 -3.492 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.966 -9.467 -2.744 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.927 -10.995 -2.680 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.836 -11.611 -3.730 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -0.987 -11.525 -1.583 1.00 0.00 O ATOM 0 H ASP A 64 -0.042 -8.545 -0.686 1.00 0.00 H new ATOM 0 HA ASP A 64 1.169 -9.605 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.528 -9.071 -1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.481 -9.143 -3.649 1.00 0.00 H new ATOM 1062 N PHE A 65 1.632 -7.370 -4.186 1.00 0.00 N ATOM 1063 CA PHE A 65 1.780 -6.107 -4.968 1.00 0.00 C ATOM 1064 C PHE A 65 0.434 -5.691 -5.572 1.00 0.00 C ATOM 1065 O PHE A 65 0.083 -4.529 -5.587 1.00 0.00 O ATOM 1066 CB PHE A 65 2.770 -6.445 -6.084 1.00 0.00 C ATOM 1067 CG PHE A 65 4.159 -6.600 -5.513 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.973 -5.475 -5.334 1.00 0.00 C ATOM 1069 CD2 PHE A 65 4.638 -7.871 -5.172 1.00 0.00 C ATOM 1070 CE1 PHE A 65 6.265 -5.620 -4.813 1.00 0.00 C ATOM 1071 CE2 PHE A 65 5.929 -8.016 -4.649 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.742 -6.891 -4.470 1.00 0.00 C ATOM 0 H PHE A 65 2.431 -8.002 -4.233 1.00 0.00 H new ATOM 0 HA PHE A 65 2.123 -5.281 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.468 -7.366 -6.583 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.764 -5.658 -6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.604 -4.495 -5.598 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.012 -8.740 -5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.893 -4.752 -4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.297 -8.996 -4.384 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.738 -7.003 -4.067 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.314 -6.633 -6.076 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.632 -6.295 -6.690 1.00 0.00 C ATOM 1084 C ASN A 66 -2.654 -5.898 -5.618 1.00 0.00 C ATOM 1085 O ASN A 66 -3.438 -4.990 -5.807 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.074 -7.577 -7.397 1.00 0.00 C ATOM 1087 CG ASN A 66 -2.289 -7.292 -8.884 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -1.443 -6.707 -9.531 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -3.394 -7.682 -9.457 1.00 0.00 N ATOM 0 H ASN A 66 -0.071 -7.623 -6.090 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.556 -5.448 -7.371 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.320 -8.353 -7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.995 -7.952 -6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.548 -7.496 -10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.104 -8.173 -8.914 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.666 -6.577 -4.503 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.653 -6.239 -3.435 1.00 0.00 C ATOM 1098 C VAL A 67 -3.314 -4.901 -2.770 1.00 0.00 C ATOM 1099 O VAL A 67 -4.192 -4.146 -2.399 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.542 -7.380 -2.425 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.370 -7.046 -1.182 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -4.071 -8.670 -3.055 1.00 0.00 C ATOM 0 H VAL A 67 -2.037 -7.350 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.661 -6.134 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.498 -7.513 -2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.290 -7.861 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.996 -6.126 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.414 -6.913 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.992 -9.485 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.115 -8.535 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.483 -8.910 -3.941 1.00 0.00 H new ATOM 1112 N ILE A 68 -2.055 -4.600 -2.605 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.685 -3.307 -1.949 1.00 0.00 C ATOM 1114 C ILE A 68 -1.927 -2.155 -2.908 1.00 0.00 C ATOM 1115 O ILE A 68 -2.525 -1.151 -2.577 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.186 -3.416 -1.634 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.649 -2.678 -2.688 1.00 0.00 C ATOM 1118 CG2 ILE A 68 0.245 -4.878 -1.603 1.00 0.00 C ATOM 1119 CD1 ILE A 68 2.070 -2.489 -2.162 1.00 0.00 C ATOM 0 H ILE A 68 -1.271 -5.185 -2.892 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.276 -3.124 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.019 -2.961 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.666 -3.245 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.200 -1.710 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.310 -4.939 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.319 -5.407 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.052 -5.335 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.667 -1.965 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.043 -1.904 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.516 -3.463 -1.960 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.445 -2.306 -4.095 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.614 -1.234 -5.117 1.00 0.00 C ATOM 1133 C VAL A 69 -3.100 -0.924 -5.302 1.00 0.00 C ATOM 1134 O VAL A 69 -3.503 0.221 -5.341 1.00 0.00 O ATOM 1135 CB VAL A 69 -1.020 -1.805 -6.404 1.00 0.00 C ATOM 1136 CG1 VAL A 69 0.475 -2.064 -6.207 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -1.721 -3.120 -6.750 1.00 0.00 C ATOM 0 H VAL A 69 -0.935 -3.130 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.124 -0.305 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.162 -1.091 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.898 -2.471 -7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.977 -1.128 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.617 -2.777 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.298 -3.527 -7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.579 -3.833 -5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.786 -2.938 -6.891 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.920 -1.933 -5.403 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.378 -1.684 -5.567 1.00 0.00 C ATOM 1149 C GLU A 70 -5.890 -0.864 -4.381 1.00 0.00 C ATOM 1150 O GLU A 70 -6.801 -0.071 -4.504 1.00 0.00 O ATOM 1151 CB GLU A 70 -6.022 -3.071 -5.585 1.00 0.00 C ATOM 1152 CG GLU A 70 -7.536 -2.930 -5.755 1.00 0.00 C ATOM 1153 CD GLU A 70 -8.225 -3.160 -4.408 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -7.639 -3.829 -3.572 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -9.326 -2.664 -4.237 1.00 0.00 O ATOM 0 H GLU A 70 -3.645 -2.915 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.610 -1.125 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.608 -3.665 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.797 -3.600 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.779 -1.938 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.899 -3.650 -6.489 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.299 -1.051 -3.231 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.735 -0.283 -2.031 1.00 0.00 C ATOM 1164 C ALA A 71 -5.378 1.196 -2.198 1.00 0.00 C ATOM 1165 O ALA A 71 -6.174 2.072 -1.927 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.957 -0.895 -0.865 1.00 0.00 C ATOM 0 H ALA A 71 -4.532 -1.704 -3.072 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.812 -0.336 -1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.223 -0.382 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.205 -1.953 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.887 -0.787 -1.045 1.00 0.00 H new ATOM 1172 N LEU A 72 -4.184 1.477 -2.643 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.771 2.899 -2.829 1.00 0.00 C ATOM 1174 C LEU A 72 -4.458 3.489 -4.063 1.00 0.00 C ATOM 1175 O LEU A 72 -4.847 4.641 -4.079 1.00 0.00 O ATOM 1176 CB LEU A 72 -2.253 2.860 -3.034 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.628 1.781 -2.145 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -0.133 2.064 -1.975 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -2.303 1.789 -0.771 1.00 0.00 C ATOM 0 H LEU A 72 -3.476 0.784 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.048 3.519 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.025 2.657 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.821 3.832 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.767 0.806 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.313 1.297 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.352 2.057 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.002 3.041 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.856 1.020 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.167 2.765 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.368 1.588 -0.888 1.00 0.00 H new ATOM 1191 N SER A 73 -4.602 2.711 -5.100 1.00 0.00 N ATOM 1192 CA SER A 73 -5.257 3.226 -6.336 1.00 0.00 C ATOM 1193 C SER A 73 -6.672 3.723 -6.026 1.00 0.00 C ATOM 1194 O SER A 73 -7.250 4.481 -6.780 1.00 0.00 O ATOM 1195 CB SER A 73 -5.307 2.029 -7.285 1.00 0.00 C ATOM 1196 OG SER A 73 -5.832 0.904 -6.593 1.00 0.00 O ATOM 0 H SER A 73 -4.294 1.740 -5.145 1.00 0.00 H new ATOM 0 HA SER A 73 -4.715 4.068 -6.766 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.929 2.261 -8.150 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.308 1.806 -7.661 1.00 0.00 H new ATOM 0 HG SER A 73 -6.280 1.203 -5.775 1.00 0.00 H new ATOM 1202 N LYS A 74 -7.237 3.306 -4.926 1.00 0.00 N ATOM 1203 CA LYS A 74 -8.615 3.762 -4.581 1.00 0.00 C ATOM 1204 C LYS A 74 -8.563 4.840 -3.495 1.00 0.00 C ATOM 1205 O LYS A 74 -9.493 5.602 -3.322 1.00 0.00 O ATOM 1206 CB LYS A 74 -9.326 2.512 -4.063 1.00 0.00 C ATOM 1207 CG LYS A 74 -10.617 2.291 -4.853 1.00 0.00 C ATOM 1208 CD LYS A 74 -11.321 1.035 -4.338 1.00 0.00 C ATOM 1209 CE LYS A 74 -11.534 1.150 -2.827 1.00 0.00 C ATOM 1210 NZ LYS A 74 -12.234 -0.106 -2.440 1.00 0.00 N ATOM 0 H LYS A 74 -6.807 2.672 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.130 4.201 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.674 1.644 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.551 2.623 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.272 3.156 -4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.393 2.186 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.279 0.910 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.724 0.152 -4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.585 1.251 -2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.131 2.027 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.415 -0.101 -1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.137 -0.172 -2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.639 -0.924 -2.682 1.00 0.00 H new ATOM 1224 N SER A 75 -7.496 4.895 -2.747 1.00 0.00 N ATOM 1225 CA SER A 75 -7.398 5.907 -1.655 1.00 0.00 C ATOM 1226 C SER A 75 -7.598 7.323 -2.202 1.00 0.00 C ATOM 1227 O SER A 75 -7.377 7.595 -3.365 1.00 0.00 O ATOM 1228 CB SER A 75 -5.985 5.746 -1.096 1.00 0.00 C ATOM 1229 OG SER A 75 -5.464 7.025 -0.761 1.00 0.00 O ATOM 0 H SER A 75 -6.686 4.283 -2.844 1.00 0.00 H new ATOM 0 HA SER A 75 -8.164 5.758 -0.894 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.001 5.105 -0.215 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.344 5.261 -1.832 1.00 0.00 H new ATOM 0 HG SER A 75 -4.615 6.918 -0.283 1.00 0.00 H new ATOM 1235 N LYS A 76 -8.021 8.224 -1.356 1.00 0.00 N ATOM 1236 CA LYS A 76 -8.244 9.629 -1.801 1.00 0.00 C ATOM 1237 C LYS A 76 -7.467 10.597 -0.905 1.00 0.00 C ATOM 1238 O LYS A 76 -7.630 11.798 -0.984 1.00 0.00 O ATOM 1239 CB LYS A 76 -9.750 9.855 -1.655 1.00 0.00 C ATOM 1240 CG LYS A 76 -10.426 9.693 -3.018 1.00 0.00 C ATOM 1241 CD LYS A 76 -11.331 10.897 -3.285 1.00 0.00 C ATOM 1242 CE LYS A 76 -10.519 12.187 -3.146 1.00 0.00 C ATOM 1243 NZ LYS A 76 -11.301 13.215 -3.888 1.00 0.00 N ATOM 0 H LYS A 76 -8.222 8.046 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.903 9.799 -2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.168 9.143 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.942 10.852 -1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.673 9.610 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.011 8.773 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.758 10.830 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.164 10.902 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.395 12.465 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.520 12.072 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.808 14.129 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.397 12.927 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.245 13.308 -3.462 1.00 0.00 H new ATOM 1257 N ALA A 77 -6.622 10.084 -0.054 1.00 0.00 N ATOM 1258 CA ALA A 77 -5.833 10.975 0.846 1.00 0.00 C ATOM 1259 C ALA A 77 -4.528 11.372 0.179 1.00 0.00 C ATOM 1260 O ALA A 77 -3.604 11.855 0.802 1.00 0.00 O ATOM 1261 CB ALA A 77 -5.583 10.165 2.118 1.00 0.00 C ATOM 0 H ALA A 77 -6.443 9.086 0.058 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.362 11.901 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.006 10.764 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.537 9.892 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.027 9.261 1.870 1.00 0.00 H new ATOM 1267 N GLU A 78 -4.461 11.166 -1.091 1.00 0.00 N ATOM 1268 CA GLU A 78 -3.229 11.517 -1.854 1.00 0.00 C ATOM 1269 C GLU A 78 -2.046 10.681 -1.359 1.00 0.00 C ATOM 1270 O GLU A 78 -1.739 9.638 -1.902 1.00 0.00 O ATOM 1271 CB GLU A 78 -2.996 13.001 -1.570 1.00 0.00 C ATOM 1272 CG GLU A 78 -3.309 13.816 -2.827 1.00 0.00 C ATOM 1273 CD GLU A 78 -3.930 15.155 -2.427 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -3.182 16.044 -2.055 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -5.143 15.268 -2.498 1.00 0.00 O ATOM 0 H GLU A 78 -5.213 10.764 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.332 11.319 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.629 13.328 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.963 13.166 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.398 13.983 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.994 13.263 -3.470 1.00 0.00 H new ATOM 1282 N LEU A 79 -1.382 11.131 -0.332 1.00 0.00 N ATOM 1283 CA LEU A 79 -0.220 10.362 0.199 1.00 0.00 C ATOM 1284 C LEU A 79 0.751 10.021 -0.935 1.00 0.00 C ATOM 1285 O LEU A 79 0.895 8.876 -1.316 1.00 0.00 O ATOM 1286 CB LEU A 79 -0.825 9.088 0.787 1.00 0.00 C ATOM 1287 CG LEU A 79 0.119 8.516 1.846 1.00 0.00 C ATOM 1288 CD1 LEU A 79 -0.533 7.301 2.508 1.00 0.00 C ATOM 1289 CD2 LEU A 79 1.431 8.089 1.182 1.00 0.00 C ATOM 0 H LEU A 79 -1.592 11.997 0.163 1.00 0.00 H new ATOM 0 HA LEU A 79 0.344 10.926 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.797 9.305 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.991 8.354 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 79 0.322 9.277 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.140 6.893 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.468 7.602 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.736 6.541 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.104 7.681 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.227 7.328 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.897 8.953 0.708 1.00 0.00 H new ATOM 1301 N MET A 80 1.410 11.008 -1.481 1.00 0.00 N ATOM 1302 CA MET A 80 2.367 10.750 -2.597 1.00 0.00 C ATOM 1303 C MET A 80 1.621 10.206 -3.818 1.00 0.00 C ATOM 1304 O MET A 80 0.407 10.160 -3.845 1.00 0.00 O ATOM 1305 CB MET A 80 3.350 9.709 -2.055 1.00 0.00 C ATOM 1306 CG MET A 80 4.307 10.375 -1.066 1.00 0.00 C ATOM 1307 SD MET A 80 5.888 9.492 -1.063 1.00 0.00 S ATOM 1308 CE MET A 80 5.217 7.820 -1.236 1.00 0.00 C ATOM 0 H MET A 80 1.327 11.985 -1.201 1.00 0.00 H new ATOM 0 HA MET A 80 2.879 11.658 -2.917 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.807 8.902 -1.564 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.911 9.262 -2.875 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.462 11.418 -1.341 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.874 10.370 -0.066 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.999 7.091 -1.027 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.396 7.683 -0.533 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.851 7.678 -2.253 1.00 0.00 H new ATOM 1318 N GLU A 81 2.335 9.799 -4.832 1.00 0.00 N ATOM 1319 CA GLU A 81 1.660 9.265 -6.050 1.00 0.00 C ATOM 1320 C GLU A 81 2.283 7.930 -6.465 1.00 0.00 C ATOM 1321 O GLU A 81 3.376 7.589 -6.060 1.00 0.00 O ATOM 1322 CB GLU A 81 1.895 10.324 -7.128 1.00 0.00 C ATOM 1323 CG GLU A 81 1.137 11.602 -6.763 1.00 0.00 C ATOM 1324 CD GLU A 81 -0.235 11.593 -7.438 1.00 0.00 C ATOM 1325 OE1 GLU A 81 -1.088 10.843 -6.993 1.00 0.00 O ATOM 1326 OE2 GLU A 81 -0.410 12.337 -8.389 1.00 0.00 O ATOM 0 H GLU A 81 3.354 9.813 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 81 0.599 9.078 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.961 10.534 -7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.559 9.953 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.021 11.672 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.704 12.477 -7.080 1.00 0.00 H new ATOM 1333 N ILE A 82 1.593 7.173 -7.274 1.00 0.00 N ATOM 1334 CA ILE A 82 2.140 5.859 -7.720 1.00 0.00 C ATOM 1335 C ILE A 82 2.207 5.808 -9.249 1.00 0.00 C ATOM 1336 O ILE A 82 1.349 6.328 -9.934 1.00 0.00 O ATOM 1337 CB ILE A 82 1.154 4.818 -7.190 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.814 5.134 -5.733 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.786 3.427 -7.275 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.328 4.230 -5.267 1.00 0.00 C ATOM 0 H ILE A 82 0.673 7.408 -7.646 1.00 0.00 H new ATOM 0 HA ILE A 82 3.151 5.685 -7.352 1.00 0.00 H new ATOM 0 HB ILE A 82 0.244 4.841 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.691 4.984 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.526 6.181 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.083 2.684 -6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.030 3.201 -8.313 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.696 3.404 -6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.570 4.456 -4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.206 4.402 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.023 3.187 -5.350 1.00 0.00 H new ATOM 1352 N SER A 83 3.220 5.188 -9.788 1.00 0.00 N ATOM 1353 CA SER A 83 3.341 5.107 -11.272 1.00 0.00 C ATOM 1354 C SER A 83 2.014 4.658 -11.890 1.00 0.00 C ATOM 1355 O SER A 83 1.047 4.409 -11.199 1.00 0.00 O ATOM 1356 CB SER A 83 4.428 4.065 -11.526 1.00 0.00 C ATOM 1357 OG SER A 83 4.057 2.839 -10.910 1.00 0.00 O ATOM 0 H SER A 83 3.969 4.734 -9.266 1.00 0.00 H new ATOM 0 HA SER A 83 3.588 6.071 -11.717 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.565 3.920 -12.598 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.381 4.412 -11.127 1.00 0.00 H new ATOM 0 HG SER A 83 4.432 2.090 -11.419 1.00 0.00 H new ATOM 1363 N GLU A 84 1.963 4.551 -13.190 1.00 0.00 N ATOM 1364 CA GLU A 84 0.700 4.119 -13.854 1.00 0.00 C ATOM 1365 C GLU A 84 0.568 2.594 -13.804 1.00 0.00 C ATOM 1366 O GLU A 84 -0.484 2.045 -14.064 1.00 0.00 O ATOM 1367 CB GLU A 84 0.828 4.599 -15.300 1.00 0.00 C ATOM 1368 CG GLU A 84 0.897 6.126 -15.327 1.00 0.00 C ATOM 1369 CD GLU A 84 0.623 6.625 -16.747 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -0.459 6.365 -17.247 1.00 0.00 O ATOM 1371 OE2 GLU A 84 1.500 7.259 -17.311 1.00 0.00 O ATOM 0 H GLU A 84 2.741 4.744 -13.821 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.184 4.529 -13.365 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.723 4.176 -15.757 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.023 4.253 -15.886 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.166 6.546 -14.636 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.879 6.462 -14.995 1.00 0.00 H new ATOM 1378 N ASP A 85 1.626 1.904 -13.471 1.00 0.00 N ATOM 1379 CA ASP A 85 1.549 0.417 -13.409 1.00 0.00 C ATOM 1380 C ASP A 85 1.152 -0.036 -12.001 1.00 0.00 C ATOM 1381 O ASP A 85 0.810 -1.181 -11.782 1.00 0.00 O ATOM 1382 CB ASP A 85 2.959 -0.067 -13.751 1.00 0.00 C ATOM 1383 CG ASP A 85 3.075 -0.279 -15.261 1.00 0.00 C ATOM 1384 OD1 ASP A 85 2.443 0.463 -15.993 1.00 0.00 O ATOM 1385 OD2 ASP A 85 3.795 -1.181 -15.660 1.00 0.00 O ATOM 0 H ASP A 85 2.536 2.304 -13.240 1.00 0.00 H new ATOM 0 HA ASP A 85 0.802 0.014 -14.093 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.696 0.664 -13.418 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.173 -0.998 -13.225 1.00 0.00 H new ATOM 1390 N LYS A 86 1.197 0.852 -11.045 1.00 0.00 N ATOM 1391 CA LYS A 86 0.823 0.472 -9.651 1.00 0.00 C ATOM 1392 C LYS A 86 1.878 -0.464 -9.055 1.00 0.00 C ATOM 1393 O LYS A 86 1.593 -1.591 -8.698 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.522 -0.247 -9.775 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.387 0.455 -10.825 1.00 0.00 C ATOM 1396 CD LYS A 86 -2.866 0.246 -10.489 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.676 0.156 -11.784 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.636 1.291 -11.717 1.00 0.00 N ATOM 0 H LYS A 86 1.477 1.825 -11.168 1.00 0.00 H new ATOM 0 HA LYS A 86 0.759 1.340 -8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.364 -1.288 -10.057 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.033 -0.251 -8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.155 1.520 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.168 0.058 -11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.992 -0.666 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.231 1.070 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.031 0.236 -12.659 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.198 -0.798 -11.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.228 1.296 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.241 1.185 -10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.111 2.187 -11.654 1.00 0.00 H new ATOM 1412 N THR A 87 3.097 -0.008 -8.944 1.00 0.00 N ATOM 1413 CA THR A 87 4.168 -0.874 -8.369 1.00 0.00 C ATOM 1414 C THR A 87 5.312 -0.016 -7.824 1.00 0.00 C ATOM 1415 O THR A 87 6.419 -0.482 -7.642 1.00 0.00 O ATOM 1416 CB THR A 87 4.652 -1.731 -9.541 1.00 0.00 C ATOM 1417 OG1 THR A 87 5.494 -2.765 -9.051 1.00 0.00 O ATOM 1418 CG2 THR A 87 5.433 -0.857 -10.525 1.00 0.00 C ATOM 0 H THR A 87 3.398 0.925 -9.226 1.00 0.00 H new ATOM 0 HA THR A 87 3.806 -1.481 -7.539 1.00 0.00 H new ATOM 0 HB THR A 87 3.795 -2.170 -10.051 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.111 -2.396 -8.385 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.778 -1.468 -11.360 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.786 -0.063 -10.899 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.292 -0.417 -10.018 1.00 0.00 H new ATOM 1426 N LYS A 88 5.055 1.237 -7.564 1.00 0.00 N ATOM 1427 CA LYS A 88 6.130 2.124 -7.032 1.00 0.00 C ATOM 1428 C LYS A 88 5.515 3.365 -6.376 1.00 0.00 C ATOM 1429 O LYS A 88 4.410 3.761 -6.689 1.00 0.00 O ATOM 1430 CB LYS A 88 6.982 2.502 -8.249 1.00 0.00 C ATOM 1431 CG LYS A 88 6.372 3.706 -8.968 1.00 0.00 C ATOM 1432 CD LYS A 88 7.363 4.229 -10.010 1.00 0.00 C ATOM 1433 CE LYS A 88 7.474 3.224 -11.158 1.00 0.00 C ATOM 1434 NZ LYS A 88 7.476 4.054 -12.396 1.00 0.00 N ATOM 0 H LYS A 88 4.148 1.685 -7.697 1.00 0.00 H new ATOM 0 HA LYS A 88 6.731 1.634 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.998 2.735 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.048 1.656 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.437 3.421 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.134 4.491 -8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.032 5.196 -10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.340 4.384 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.386 2.632 -11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.638 2.524 -11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.036 3.520 -13.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.939 4.928 -12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.455 4.293 -12.652 1.00 0.00 H new ATOM 1448 N ILE A 89 6.224 3.984 -5.473 1.00 0.00 N ATOM 1449 CA ILE A 89 5.686 5.203 -4.802 1.00 0.00 C ATOM 1450 C ILE A 89 6.755 6.298 -4.785 1.00 0.00 C ATOM 1451 O ILE A 89 7.937 6.023 -4.849 1.00 0.00 O ATOM 1452 CB ILE A 89 5.349 4.756 -3.380 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.524 3.962 -2.804 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.100 3.871 -3.404 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.157 3.445 -1.411 1.00 0.00 C ATOM 0 H ILE A 89 7.155 3.698 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 89 4.815 5.612 -5.313 1.00 0.00 H new ATOM 0 HB ILE A 89 5.161 5.632 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.769 3.127 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.410 4.594 -2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.860 3.553 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.262 4.435 -3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.287 2.995 -4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.994 2.880 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.933 4.288 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.282 2.799 -1.482 1.00 0.00 H new ATOM 1467 N ARG A 90 6.355 7.538 -4.703 1.00 0.00 N ATOM 1468 CA ARG A 90 7.363 8.638 -4.689 1.00 0.00 C ATOM 1469 C ARG A 90 6.844 9.841 -3.900 1.00 0.00 C ATOM 1470 O ARG A 90 5.655 10.029 -3.740 1.00 0.00 O ATOM 1471 CB ARG A 90 7.557 9.013 -6.159 1.00 0.00 C ATOM 1472 CG ARG A 90 6.309 9.736 -6.672 1.00 0.00 C ATOM 1473 CD ARG A 90 6.376 11.214 -6.281 1.00 0.00 C ATOM 1474 NE ARG A 90 5.997 11.955 -7.516 1.00 0.00 N ATOM 1475 CZ ARG A 90 6.841 12.047 -8.508 1.00 0.00 C ATOM 1476 NH1 ARG A 90 8.017 11.487 -8.420 1.00 0.00 N ATOM 1477 NH2 ARG A 90 6.508 12.698 -9.588 1.00 0.00 N ATOM 0 H ARG A 90 5.381 7.836 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 90 8.294 8.329 -4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.432 9.653 -6.269 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.741 8.117 -6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.239 9.639 -7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.413 9.279 -6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.693 11.437 -5.461 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.376 11.489 -5.946 1.00 0.00 H new ATOM 0 HE ARG A 90 5.078 12.391 -7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.277 10.977 -7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.676 11.559 -9.195 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.589 13.135 -9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.167 12.770 -10.363 1.00 0.00 H new ATOM 1491 N ARG A 91 7.733 10.668 -3.422 1.00 0.00 N ATOM 1492 CA ARG A 91 7.305 11.874 -2.658 1.00 0.00 C ATOM 1493 C ARG A 91 7.298 13.088 -3.589 1.00 0.00 C ATOM 1494 O ARG A 91 8.205 13.281 -4.372 1.00 0.00 O ATOM 1495 CB ARG A 91 8.348 12.048 -1.554 1.00 0.00 C ATOM 1496 CG ARG A 91 7.727 12.816 -0.386 1.00 0.00 C ATOM 1497 CD ARG A 91 8.446 14.157 -0.214 1.00 0.00 C ATOM 1498 NE ARG A 91 7.391 15.104 0.247 1.00 0.00 N ATOM 1499 CZ ARG A 91 6.871 14.976 1.438 1.00 0.00 C ATOM 1500 NH1 ARG A 91 7.273 14.019 2.230 1.00 0.00 N ATOM 1501 NH2 ARG A 91 5.948 15.807 1.838 1.00 0.00 N ATOM 0 H ARG A 91 8.742 10.560 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 91 6.302 11.772 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.702 11.074 -1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.214 12.586 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.665 12.982 -0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.804 12.230 0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.254 14.081 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.892 14.489 -1.152 1.00 0.00 H new ATOM 0 HE ARG A 91 7.075 15.853 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.995 13.369 1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.865 13.921 3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.633 16.556 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.541 15.708 2.768 1.00 0.00 H new ATOM 1515 N SER A 92 6.286 13.904 -3.516 1.00 0.00 N ATOM 1516 CA SER A 92 6.234 15.096 -4.405 1.00 0.00 C ATOM 1517 C SER A 92 7.364 16.064 -4.052 1.00 0.00 C ATOM 1518 O SER A 92 7.327 16.714 -3.027 1.00 0.00 O ATOM 1519 CB SER A 92 4.874 15.737 -4.133 1.00 0.00 C ATOM 1520 OG SER A 92 4.442 16.432 -5.295 1.00 0.00 O ATOM 0 H SER A 92 5.495 13.798 -2.881 1.00 0.00 H new ATOM 0 HA SER A 92 6.355 14.833 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.146 14.972 -3.861 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.945 16.424 -3.290 1.00 0.00 H new ATOM 0 HG SER A 92 3.569 16.843 -5.125 1.00 0.00 H new ATOM 1526 N PRO A 93 8.334 16.129 -4.924 1.00 0.00 N ATOM 1527 CA PRO A 93 9.488 17.035 -4.706 1.00 0.00 C ATOM 1528 C PRO A 93 8.998 18.480 -4.722 1.00 0.00 C ATOM 1529 O PRO A 93 9.639 19.376 -4.210 1.00 0.00 O ATOM 1530 CB PRO A 93 10.401 16.759 -5.900 1.00 0.00 C ATOM 1531 CG PRO A 93 9.512 16.137 -6.928 1.00 0.00 C ATOM 1532 CD PRO A 93 8.447 15.387 -6.180 1.00 0.00 C ATOM 0 HA PRO A 93 9.996 16.877 -3.755 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.853 17.678 -6.273 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.217 16.090 -5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.070 16.899 -7.570 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.078 15.465 -7.574 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.504 15.375 -6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.730 14.348 -6.010 1.00 0.00 H new ATOM 1540 N SER A 94 7.857 18.702 -5.309 1.00 0.00 N ATOM 1541 CA SER A 94 7.300 20.079 -5.370 1.00 0.00 C ATOM 1542 C SER A 94 6.469 20.361 -4.118 1.00 0.00 C ATOM 1543 O SER A 94 5.902 21.426 -3.970 1.00 0.00 O ATOM 1544 CB SER A 94 6.414 20.090 -6.613 1.00 0.00 C ATOM 1545 OG SER A 94 7.183 19.695 -7.741 1.00 0.00 O ATOM 0 H SER A 94 7.283 17.984 -5.752 1.00 0.00 H new ATOM 0 HA SER A 94 8.078 20.841 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.570 19.413 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.001 21.086 -6.771 1.00 0.00 H new ATOM 0 HG SER A 94 6.617 19.699 -8.541 1.00 0.00 H new ATOM 1551 N LYS A 95 6.407 19.430 -3.204 1.00 0.00 N ATOM 1552 CA LYS A 95 5.629 19.670 -1.953 1.00 0.00 C ATOM 1553 C LYS A 95 6.570 19.596 -0.745 1.00 0.00 C ATOM 1554 O LYS A 95 7.421 18.732 -0.678 1.00 0.00 O ATOM 1555 CB LYS A 95 4.571 18.556 -1.914 1.00 0.00 C ATOM 1556 CG LYS A 95 5.057 17.382 -1.055 1.00 0.00 C ATOM 1557 CD LYS A 95 3.855 16.541 -0.616 1.00 0.00 C ATOM 1558 CE LYS A 95 3.517 15.520 -1.704 1.00 0.00 C ATOM 1559 NZ LYS A 95 2.459 14.657 -1.108 1.00 0.00 N ATOM 0 H LYS A 95 6.859 18.518 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 95 5.159 20.653 -1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.637 18.947 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.361 18.211 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.757 16.768 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.593 17.753 -0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.079 16.029 0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.996 17.186 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.162 16.011 -2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.394 14.935 -1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.175 13.931 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.828 14.197 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.634 15.240 -0.860 1.00 0.00 H new ATOM 1573 N PRO A 96 6.388 20.507 0.169 1.00 0.00 N ATOM 1574 CA PRO A 96 7.238 20.545 1.382 1.00 0.00 C ATOM 1575 C PRO A 96 6.939 19.358 2.295 1.00 0.00 C ATOM 1576 O PRO A 96 5.824 18.882 2.376 1.00 0.00 O ATOM 1577 CB PRO A 96 6.859 21.845 2.070 1.00 0.00 C ATOM 1578 CG PRO A 96 5.507 22.201 1.531 1.00 0.00 C ATOM 1579 CD PRO A 96 5.388 21.579 0.161 1.00 0.00 C ATOM 0 HA PRO A 96 8.299 20.490 1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.831 21.723 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.586 22.629 1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.722 21.831 2.190 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.390 23.283 1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.386 21.188 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.589 22.306 -0.626 1.00 0.00 H new ATOM 1587 N LEU A 97 7.927 18.900 3.007 1.00 0.00 N ATOM 1588 CA LEU A 97 7.716 17.772 3.947 1.00 0.00 C ATOM 1589 C LEU A 97 8.121 18.218 5.342 1.00 0.00 C ATOM 1590 O LEU A 97 9.261 18.551 5.597 1.00 0.00 O ATOM 1591 CB LEU A 97 8.569 16.604 3.443 1.00 0.00 C ATOM 1592 CG LEU A 97 9.888 16.518 4.217 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.627 15.923 5.604 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.864 15.617 3.456 1.00 0.00 C ATOM 0 H LEU A 97 8.880 19.263 2.977 1.00 0.00 H new ATOM 0 HA LEU A 97 6.673 17.457 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.017 15.671 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.774 16.730 2.380 1.00 0.00 H new ATOM 0 HG LEU A 97 10.315 17.515 4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.565 15.861 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.928 16.559 6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.202 14.925 5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.804 15.554 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.435 14.620 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.049 16.035 2.466 1.00 0.00 H new ATOM 1606 N PRO A 98 7.153 18.245 6.186 1.00 0.00 N ATOM 1607 CA PRO A 98 7.348 18.689 7.573 1.00 0.00 C ATOM 1608 C PRO A 98 7.674 17.515 8.494 1.00 0.00 C ATOM 1609 O PRO A 98 7.352 16.377 8.214 1.00 0.00 O ATOM 1610 CB PRO A 98 5.994 19.261 7.884 1.00 0.00 C ATOM 1611 CG PRO A 98 5.051 18.332 7.181 1.00 0.00 C ATOM 1612 CD PRO A 98 5.761 17.870 5.937 1.00 0.00 C ATOM 0 HA PRO A 98 8.176 19.385 7.708 1.00 0.00 H new ATOM 0 HB2 PRO A 98 5.806 19.287 8.957 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.897 20.283 7.519 1.00 0.00 H new ATOM 0 HG2 PRO A 98 4.792 17.486 7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.119 18.840 6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.654 16.795 5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.367 18.356 5.045 1.00 0.00 H new ATOM 1620 N GLU A 99 8.313 17.793 9.592 1.00 0.00 N ATOM 1621 CA GLU A 99 8.671 16.706 10.549 1.00 0.00 C ATOM 1622 C GLU A 99 7.933 16.907 11.876 1.00 0.00 C ATOM 1623 O GLU A 99 7.662 18.018 12.283 1.00 0.00 O ATOM 1624 CB GLU A 99 10.180 16.841 10.750 1.00 0.00 C ATOM 1625 CG GLU A 99 10.714 15.598 11.466 1.00 0.00 C ATOM 1626 CD GLU A 99 12.243 15.651 11.510 1.00 0.00 C ATOM 1627 OE1 GLU A 99 12.793 16.650 11.076 1.00 0.00 O ATOM 1628 OE2 GLU A 99 12.836 14.692 11.976 1.00 0.00 O ATOM 0 H GLU A 99 8.605 18.729 9.872 1.00 0.00 H new ATOM 0 HA GLU A 99 8.395 15.719 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.676 16.960 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.401 17.734 11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.312 15.548 12.478 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.386 14.697 10.947 1.00 0.00 H new ATOM 1635 N VAL A 100 7.610 15.840 12.554 1.00 0.00 N ATOM 1636 CA VAL A 100 6.892 15.972 13.854 1.00 0.00 C ATOM 1637 C VAL A 100 7.899 16.099 15.001 1.00 0.00 C ATOM 1638 O VAL A 100 8.965 15.517 14.970 1.00 0.00 O ATOM 1639 CB VAL A 100 6.081 14.684 13.992 1.00 0.00 C ATOM 1640 CG1 VAL A 100 5.199 14.501 12.756 1.00 0.00 C ATOM 1641 CG2 VAL A 100 7.035 13.493 14.118 1.00 0.00 C ATOM 0 H VAL A 100 7.812 14.883 12.265 1.00 0.00 H new ATOM 0 HA VAL A 100 6.257 16.857 13.888 1.00 0.00 H new ATOM 0 HB VAL A 100 5.453 14.744 14.881 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.621 13.582 12.855 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.520 15.349 12.665 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.827 14.441 11.867 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.458 12.573 14.217 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.663 13.434 13.229 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.664 13.623 14.998 1.00 0.00 H new ATOM 1651 N THR A 101 7.569 16.854 16.011 1.00 0.00 N ATOM 1652 CA THR A 101 8.509 17.018 17.158 1.00 0.00 C ATOM 1653 C THR A 101 8.020 16.210 18.364 1.00 0.00 C ATOM 1654 O THR A 101 6.885 16.327 18.783 1.00 0.00 O ATOM 1655 CB THR A 101 8.492 18.515 17.472 1.00 0.00 C ATOM 1656 OG1 THR A 101 7.215 18.874 17.982 1.00 0.00 O ATOM 1657 CG2 THR A 101 8.778 19.309 16.197 1.00 0.00 C ATOM 0 H THR A 101 6.690 17.365 16.093 1.00 0.00 H new ATOM 0 HA THR A 101 9.512 16.662 16.924 1.00 0.00 H new ATOM 0 HB THR A 101 9.257 18.741 18.215 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.682 18.065 18.130 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.766 20.375 16.422 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.758 19.032 15.808 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.015 19.087 15.451 1.00 0.00 H new ATOM 1665 N ASP A 102 8.868 15.392 18.925 1.00 0.00 N ATOM 1666 CA ASP A 102 8.451 14.579 20.103 1.00 0.00 C ATOM 1667 C ASP A 102 8.880 15.268 21.401 1.00 0.00 C ATOM 1668 O ASP A 102 10.054 15.396 21.689 1.00 0.00 O ATOM 1669 CB ASP A 102 9.178 13.244 19.940 1.00 0.00 C ATOM 1670 CG ASP A 102 8.162 12.101 19.976 1.00 0.00 C ATOM 1671 OD1 ASP A 102 7.664 11.812 21.052 1.00 0.00 O ATOM 1672 OD2 ASP A 102 7.899 11.535 18.929 1.00 0.00 O ATOM 0 H ASP A 102 9.831 15.251 18.619 1.00 0.00 H new ATOM 0 HA ASP A 102 7.370 14.451 20.154 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.725 13.229 18.997 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.911 13.118 20.736 1.00 0.00 H new ATOM 1677 N GLU A 103 7.939 15.715 22.186 1.00 0.00 N ATOM 1678 CA GLU A 103 8.295 16.395 23.465 1.00 0.00 C ATOM 1679 C GLU A 103 7.576 15.726 24.639 1.00 0.00 C ATOM 1680 O GLU A 103 7.024 16.444 25.458 1.00 0.00 O ATOM 1681 CB GLU A 103 7.816 17.837 23.293 1.00 0.00 C ATOM 1682 CG GLU A 103 8.657 18.531 22.219 1.00 0.00 C ATOM 1683 CD GLU A 103 9.835 19.251 22.878 1.00 0.00 C ATOM 1684 OE1 GLU A 103 10.644 18.580 23.496 1.00 0.00 O ATOM 1685 OE2 GLU A 103 9.907 20.463 22.753 1.00 0.00 O ATOM 1686 OXT GLU A 103 7.588 14.508 24.698 1.00 0.00 O ATOM 0 H GLU A 103 6.939 15.639 21.998 1.00 0.00 H new ATOM 0 HA GLU A 103 9.363 16.343 23.677 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.763 17.850 23.010 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.899 18.374 24.238 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.022 17.799 21.499 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.044 19.244 21.667 1.00 0.00 H new TER 1693 GLU A 103