USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 607 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 104 LYS NZ :NH3+ -156:sc= -0.469 (180deg=-0.836) USER MOD Set 1.2: A 106 ASN : amide:sc= -2.32! C(o=-2.8!,f=-19!) USER MOD Set 2.1: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 79 THR OG1 : rot 89:sc= 1.08 USER MOD Set 3.1: A 43 TYR OH : rot -34:sc= 1.54! USER MOD Set 3.2: A 75 CYS SG : rot -123:sc= -1.02! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -6! C(o=-6!,f=-5.4!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -156:sc= -0.239 (180deg=-1.67!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 155:sc= -0.263 (180deg=-2.15) USER MOD Single : A 74 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.6!) USER MOD Single : A 80 TYR OH : rot -22:sc= -4.83! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 131:sc= -0.181 (180deg=-0.883) USER MOD Single : A 85 SER OG : rot 180:sc= -0.276 USER MOD Single : A 88 GLN : amide:sc= -0.0691 X(o=-0.069,f=-0.087) USER MOD Single : A 94 ASN : amide:sc= -0.0355 K(o=-0.036,f=-2.3!) USER MOD Single : A 96 THR OG1 : rot -104:sc= -1.6! USER MOD Single : A 97 GLN : amide:sc= -0.0072 K(o=-0.0072,f=-1.5!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0476 K(o=-0.048,f=-1.2!) USER MOD Single : A 113 MET CE :methyl 131:sc= -0.145 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 35 -39.076 13.343 10.847 1.00 0.00 N ATOM 2 CA ALA A 35 -40.319 12.542 10.664 1.00 0.00 C ATOM 3 C ALA A 35 -40.021 11.331 9.779 1.00 0.00 C ATOM 4 O ALA A 35 -40.109 11.399 8.568 1.00 0.00 O ATOM 5 CB ALA A 35 -41.392 13.408 10.000 1.00 0.00 C ATOM 0 HA ALA A 35 -40.677 12.202 11.636 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -42.301 12.822 9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -41.606 14.270 10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -41.034 13.749 9.029 1.00 0.00 H new ATOM 11 N PRO A 36 -39.660 10.200 10.401 1.00 0.00 N ATOM 12 CA PRO A 36 -39.343 8.961 9.679 1.00 0.00 C ATOM 13 C PRO A 36 -40.589 8.338 9.043 1.00 0.00 C ATOM 14 O PRO A 36 -41.682 8.445 9.561 1.00 0.00 O ATOM 15 CB PRO A 36 -38.798 8.040 10.771 1.00 0.00 C ATOM 16 CG PRO A 36 -39.404 8.553 12.033 1.00 0.00 C ATOM 17 CD PRO A 36 -39.532 10.041 11.861 1.00 0.00 C ATOM 0 HA PRO A 36 -38.645 9.133 8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -39.078 7.002 10.590 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -37.709 8.074 10.812 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -40.378 8.096 12.211 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -38.777 8.313 12.892 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -40.402 10.434 12.387 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -38.660 10.568 12.249 1.00 0.00 H new ATOM 25 N ARG A 37 -40.431 7.688 7.922 1.00 0.00 N ATOM 26 CA ARG A 37 -41.605 7.059 7.253 1.00 0.00 C ATOM 27 C ARG A 37 -41.431 5.539 7.242 1.00 0.00 C ATOM 28 O ARG A 37 -40.332 5.030 7.142 1.00 0.00 O ATOM 29 CB ARG A 37 -41.706 7.571 5.815 1.00 0.00 C ATOM 30 CG ARG A 37 -43.071 7.195 5.235 1.00 0.00 C ATOM 31 CD ARG A 37 -43.159 7.680 3.786 1.00 0.00 C ATOM 32 NE ARG A 37 -44.505 7.353 3.235 1.00 0.00 N ATOM 33 CZ ARG A 37 -44.620 6.482 2.270 1.00 0.00 C ATOM 34 NH1 ARG A 37 -43.811 5.460 2.214 1.00 0.00 N ATOM 35 NH2 ARG A 37 -45.546 6.633 1.362 1.00 0.00 N ATOM 0 H ARG A 37 -39.540 7.565 7.441 1.00 0.00 H new ATOM 0 HA ARG A 37 -42.515 7.317 7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -41.575 8.653 5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -40.910 7.141 5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -43.212 6.115 5.278 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -43.867 7.644 5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -42.986 8.755 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -42.383 7.206 3.185 1.00 0.00 H new ATOM 0 HE ARG A 37 -45.336 7.810 3.612 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -43.089 5.342 2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -43.901 4.779 1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -46.179 7.431 1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -45.636 5.953 0.608 1.00 0.00 H new ATOM 49 N LYS A 38 -42.508 4.808 7.346 1.00 0.00 N ATOM 50 CA LYS A 38 -42.403 3.322 7.344 1.00 0.00 C ATOM 51 C LYS A 38 -41.742 2.856 6.045 1.00 0.00 C ATOM 52 O LYS A 38 -40.948 1.936 6.036 1.00 0.00 O ATOM 53 CB LYS A 38 -43.802 2.711 7.449 1.00 0.00 C ATOM 54 CG LYS A 38 -44.418 3.071 8.802 1.00 0.00 C ATOM 55 CD LYS A 38 -45.772 2.374 8.947 1.00 0.00 C ATOM 56 CE LYS A 38 -46.443 2.824 10.247 1.00 0.00 C ATOM 57 NZ LYS A 38 -47.185 1.680 10.846 1.00 0.00 N ATOM 0 H LYS A 38 -43.455 5.176 7.432 1.00 0.00 H new ATOM 0 HA LYS A 38 -41.800 3.002 8.194 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -44.433 3.081 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -43.746 1.628 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -43.752 2.767 9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -44.542 4.151 8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -46.409 2.613 8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -45.637 1.292 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -45.693 3.191 10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.126 3.650 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -47.641 1.986 11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -47.911 1.349 10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -46.522 0.905 11.049 1.00 0.00 H new ATOM 71 N GLY A 39 -42.062 3.484 4.946 1.00 0.00 N ATOM 72 CA GLY A 39 -41.452 3.074 3.649 1.00 0.00 C ATOM 73 C GLY A 39 -40.105 3.778 3.472 1.00 0.00 C ATOM 74 O GLY A 39 -39.632 4.467 4.353 1.00 0.00 O ATOM 0 H GLY A 39 -42.719 4.262 4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -41.315 1.993 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -42.118 3.329 2.825 1.00 0.00 H new ATOM 78 N ASN A 40 -39.484 3.609 2.336 1.00 0.00 N ATOM 79 CA ASN A 40 -38.168 4.266 2.099 1.00 0.00 C ATOM 80 C ASN A 40 -37.879 4.295 0.596 1.00 0.00 C ATOM 81 O ASN A 40 -37.333 3.363 0.042 1.00 0.00 O ATOM 82 CB ASN A 40 -37.068 3.480 2.815 1.00 0.00 C ATOM 83 CG ASN A 40 -35.831 4.365 2.978 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.893 5.561 2.768 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.701 3.825 3.345 1.00 0.00 N ATOM 0 H ASN A 40 -39.832 3.044 1.562 1.00 0.00 H new ATOM 0 HA ASN A 40 -38.195 5.285 2.485 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -37.421 3.147 3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.816 2.586 2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.870 4.406 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.649 2.822 3.521 1.00 0.00 H new ATOM 92 N THR A 41 -38.246 5.358 -0.067 1.00 0.00 N ATOM 93 CA THR A 41 -37.996 5.444 -1.534 1.00 0.00 C ATOM 94 C THR A 41 -36.585 5.981 -1.784 1.00 0.00 C ATOM 95 O THR A 41 -36.138 6.908 -1.138 1.00 0.00 O ATOM 96 CB THR A 41 -39.021 6.386 -2.169 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.332 5.953 -1.833 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.853 6.378 -3.689 1.00 0.00 C ATOM 0 H THR A 41 -38.708 6.170 0.343 1.00 0.00 H new ATOM 0 HA THR A 41 -38.088 4.452 -1.977 1.00 0.00 H new ATOM 0 HB THR A 41 -38.865 7.398 -1.795 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.990 6.557 -2.238 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.584 7.050 -4.139 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.847 6.711 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 41 -39.008 5.367 -4.067 1.00 0.00 H new ATOM 106 N LEU A 42 -35.881 5.406 -2.720 1.00 0.00 N ATOM 107 CA LEU A 42 -34.500 5.882 -3.017 1.00 0.00 C ATOM 108 C LEU A 42 -34.485 6.588 -4.374 1.00 0.00 C ATOM 109 O LEU A 42 -35.275 6.289 -5.248 1.00 0.00 O ATOM 110 CB LEU A 42 -33.547 4.685 -3.057 1.00 0.00 C ATOM 111 CG LEU A 42 -33.564 3.976 -1.702 1.00 0.00 C ATOM 112 CD1 LEU A 42 -34.680 2.930 -1.688 1.00 0.00 C ATOM 113 CD2 LEU A 42 -32.217 3.288 -1.472 1.00 0.00 C ATOM 0 H LEU A 42 -36.203 4.626 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.180 6.578 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.846 3.994 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.536 5.019 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 42 -33.740 4.705 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -34.693 2.424 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -35.640 3.420 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -34.504 2.200 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -32.227 2.782 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.042 2.558 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -31.421 4.033 -1.483 1.00 0.00 H new ATOM 125 N TYR A 43 -33.593 7.522 -4.560 1.00 0.00 N ATOM 126 CA TYR A 43 -33.530 8.242 -5.863 1.00 0.00 C ATOM 127 C TYR A 43 -32.402 7.657 -6.715 1.00 0.00 C ATOM 128 O TYR A 43 -31.238 7.773 -6.386 1.00 0.00 O ATOM 129 CB TYR A 43 -33.263 9.728 -5.616 1.00 0.00 C ATOM 130 CG TYR A 43 -33.253 10.463 -6.935 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.446 10.980 -7.456 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.053 10.627 -7.636 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.437 11.660 -8.680 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.045 11.308 -8.860 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.237 11.824 -9.381 1.00 0.00 C ATOM 136 OH TYR A 43 -33.228 12.496 -10.587 1.00 0.00 O ATOM 0 H TYR A 43 -32.906 7.817 -3.867 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.479 8.127 -6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.030 10.143 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.307 9.857 -5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.372 10.854 -6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.133 10.229 -7.233 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.356 12.058 -9.083 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.119 11.435 -9.402 1.00 0.00 H new ATOM 0 HH TYR A 43 -34.066 12.322 -11.065 1.00 0.00 H new ATOM 146 N VAL A 44 -32.737 7.026 -7.808 1.00 0.00 N ATOM 147 CA VAL A 44 -31.683 6.431 -8.678 1.00 0.00 C ATOM 148 C VAL A 44 -31.573 7.238 -9.973 1.00 0.00 C ATOM 149 O VAL A 44 -32.562 7.547 -10.609 1.00 0.00 O ATOM 150 CB VAL A 44 -32.053 4.984 -9.007 1.00 0.00 C ATOM 151 CG1 VAL A 44 -30.910 4.331 -9.787 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.291 4.213 -7.707 1.00 0.00 C ATOM 0 H VAL A 44 -33.694 6.897 -8.136 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.726 6.452 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 44 -32.960 4.967 -9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.173 3.300 -10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.739 4.882 -10.712 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -30.003 4.346 -9.183 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.555 3.181 -7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.383 4.228 -7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -33.104 4.679 -7.151 1.00 0.00 H new ATOM 162 N TYR A 45 -30.379 7.582 -10.370 1.00 0.00 N ATOM 163 CA TYR A 45 -30.207 8.367 -11.623 1.00 0.00 C ATOM 164 C TYR A 45 -29.258 7.624 -12.568 1.00 0.00 C ATOM 165 O TYR A 45 -28.324 6.976 -12.141 1.00 0.00 O ATOM 166 CB TYR A 45 -29.619 9.739 -11.289 1.00 0.00 C ATOM 167 CG TYR A 45 -29.490 10.554 -12.553 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.587 11.280 -13.033 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.274 10.582 -13.247 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.468 12.034 -14.206 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.156 11.337 -14.421 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.252 12.063 -14.900 1.00 0.00 C ATOM 173 OH TYR A 45 -29.136 12.808 -16.056 1.00 0.00 O ATOM 0 H TYR A 45 -29.514 7.353 -9.880 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.176 8.493 -12.106 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.259 10.256 -10.574 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.643 9.623 -10.817 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.525 11.258 -12.498 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.428 10.022 -12.877 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.314 12.594 -14.576 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.218 11.359 -14.957 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.227 12.720 -16.412 1.00 0.00 H new ATOM 183 N GLY A 46 -29.492 7.713 -13.849 1.00 0.00 N ATOM 184 CA GLY A 46 -28.604 7.012 -14.819 1.00 0.00 C ATOM 185 C GLY A 46 -29.167 7.173 -16.233 1.00 0.00 C ATOM 186 O GLY A 46 -30.185 7.802 -16.438 1.00 0.00 O ATOM 0 H GLY A 46 -30.259 8.241 -14.265 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.596 7.423 -14.768 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.531 5.955 -14.563 1.00 0.00 H new ATOM 190 N GLU A 47 -28.511 6.608 -17.210 1.00 0.00 N ATOM 191 CA GLU A 47 -29.010 6.729 -18.609 1.00 0.00 C ATOM 192 C GLU A 47 -29.272 5.333 -19.180 1.00 0.00 C ATOM 193 O GLU A 47 -28.639 4.368 -18.800 1.00 0.00 O ATOM 194 CB GLU A 47 -27.961 7.441 -19.466 1.00 0.00 C ATOM 195 CG GLU A 47 -27.665 8.819 -18.870 1.00 0.00 C ATOM 196 CD GLU A 47 -26.665 9.556 -19.763 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.124 8.926 -20.658 1.00 0.00 O ATOM 198 OE2 GLU A 47 -26.459 10.737 -19.539 1.00 0.00 O ATOM 0 H GLU A 47 -27.652 6.069 -17.100 1.00 0.00 H new ATOM 0 HA GLU A 47 -29.936 7.304 -18.615 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -27.048 6.848 -19.509 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -28.322 7.545 -20.489 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -28.586 9.396 -18.784 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.261 8.713 -17.863 1.00 0.00 H new ATOM 205 N ASP A 48 -30.199 5.220 -20.092 1.00 0.00 N ATOM 206 CA ASP A 48 -30.500 3.887 -20.688 1.00 0.00 C ATOM 207 C ASP A 48 -30.604 2.841 -19.575 1.00 0.00 C ATOM 208 O ASP A 48 -29.905 1.848 -19.576 1.00 0.00 O ATOM 209 CB ASP A 48 -29.379 3.496 -21.652 1.00 0.00 C ATOM 210 CG ASP A 48 -29.333 4.495 -22.811 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.300 5.219 -22.982 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.331 4.519 -23.506 1.00 0.00 O ATOM 0 H ASP A 48 -30.761 5.993 -20.450 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.445 3.936 -21.229 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.423 3.484 -21.129 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.547 2.488 -22.032 1.00 0.00 H new ATOM 217 N MET A 49 -31.472 3.057 -18.625 1.00 0.00 N ATOM 218 CA MET A 49 -31.620 2.075 -17.514 1.00 0.00 C ATOM 219 C MET A 49 -32.887 1.245 -17.733 1.00 0.00 C ATOM 220 O MET A 49 -33.914 1.758 -18.132 1.00 0.00 O ATOM 221 CB MET A 49 -31.725 2.822 -16.183 1.00 0.00 C ATOM 222 CG MET A 49 -30.380 3.477 -15.859 1.00 0.00 C ATOM 223 SD MET A 49 -30.437 4.178 -14.190 1.00 0.00 S ATOM 224 CE MET A 49 -31.879 5.244 -14.441 1.00 0.00 C ATOM 0 H MET A 49 -32.085 3.871 -18.570 1.00 0.00 H new ATOM 0 HA MET A 49 -30.752 1.416 -17.494 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.507 3.580 -16.239 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.007 2.132 -15.388 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.579 2.741 -15.929 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.159 4.259 -16.586 1.00 0.00 H new ATOM 0 HE1 MET A 49 -31.853 6.066 -13.725 1.00 0.00 H new ATOM 0 HE2 MET A 49 -31.863 5.645 -15.454 1.00 0.00 H new ATOM 0 HE3 MET A 49 -32.790 4.664 -14.295 1.00 0.00 H new ATOM 234 N THR A 50 -32.824 -0.033 -17.475 1.00 0.00 N ATOM 235 CA THR A 50 -34.027 -0.892 -17.668 1.00 0.00 C ATOM 236 C THR A 50 -34.626 -1.244 -16.304 1.00 0.00 C ATOM 237 O THR A 50 -33.995 -1.079 -15.279 1.00 0.00 O ATOM 238 CB THR A 50 -33.627 -2.176 -18.396 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.265 -2.471 -18.118 1.00 0.00 O ATOM 240 CG2 THR A 50 -33.814 -1.991 -19.903 1.00 0.00 C ATOM 0 H THR A 50 -31.992 -0.519 -17.139 1.00 0.00 H new ATOM 0 HA THR A 50 -34.766 -0.354 -18.262 1.00 0.00 H new ATOM 0 HB THR A 50 -34.255 -2.999 -18.054 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.007 -3.295 -18.582 1.00 0.00 H new ATOM 0 HG21 THR A 50 -33.528 -2.907 -20.420 1.00 0.00 H new ATOM 0 HG22 THR A 50 -34.859 -1.765 -20.115 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.188 -1.169 -20.249 1.00 0.00 H new ATOM 248 N PRO A 51 -35.872 -1.737 -16.299 1.00 0.00 N ATOM 249 CA PRO A 51 -36.571 -2.117 -15.065 1.00 0.00 C ATOM 250 C PRO A 51 -35.965 -3.373 -14.428 1.00 0.00 C ATOM 251 O PRO A 51 -36.018 -3.559 -13.229 1.00 0.00 O ATOM 252 CB PRO A 51 -37.996 -2.406 -15.533 1.00 0.00 C ATOM 253 CG PRO A 51 -37.851 -2.774 -16.972 1.00 0.00 C ATOM 254 CD PRO A 51 -36.699 -1.966 -17.498 1.00 0.00 C ATOM 0 HA PRO A 51 -36.507 -1.338 -14.305 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.445 -3.217 -14.960 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.639 -1.534 -15.409 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -37.661 -3.841 -17.083 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -38.765 -2.554 -17.524 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.149 -2.504 -18.270 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.034 -1.028 -17.941 1.00 0.00 H new ATOM 262 N THR A 52 -35.391 -4.235 -15.222 1.00 0.00 N ATOM 263 CA THR A 52 -34.785 -5.476 -14.661 1.00 0.00 C ATOM 264 C THR A 52 -33.408 -5.156 -14.081 1.00 0.00 C ATOM 265 O THR A 52 -32.999 -5.714 -13.082 1.00 0.00 O ATOM 266 CB THR A 52 -34.640 -6.521 -15.770 1.00 0.00 C ATOM 267 OG1 THR A 52 -34.311 -5.872 -16.990 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.956 -7.283 -15.933 1.00 0.00 C ATOM 0 H THR A 52 -35.315 -4.134 -16.234 1.00 0.00 H new ATOM 0 HA THR A 52 -35.428 -5.868 -13.873 1.00 0.00 H new ATOM 0 HB THR A 52 -33.848 -7.223 -15.506 1.00 0.00 H new ATOM 0 HG1 THR A 52 -34.216 -6.540 -17.701 1.00 0.00 H new ATOM 0 HG21 THR A 52 -35.851 -8.026 -16.723 1.00 0.00 H new ATOM 0 HG22 THR A 52 -36.206 -7.782 -14.997 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.751 -6.585 -16.196 1.00 0.00 H new ATOM 276 N LEU A 53 -32.688 -4.262 -14.698 1.00 0.00 N ATOM 277 CA LEU A 53 -31.337 -3.907 -14.181 1.00 0.00 C ATOM 278 C LEU A 53 -31.469 -3.308 -12.780 1.00 0.00 C ATOM 279 O LEU A 53 -30.644 -3.536 -11.917 1.00 0.00 O ATOM 280 CB LEU A 53 -30.685 -2.885 -15.114 1.00 0.00 C ATOM 281 CG LEU A 53 -29.304 -2.510 -14.570 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.312 -2.394 -15.729 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.394 -1.169 -13.839 1.00 0.00 C ATOM 0 H LEU A 53 -32.977 -3.761 -15.538 1.00 0.00 H new ATOM 0 HA LEU A 53 -30.718 -4.803 -14.136 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -30.593 -3.299 -16.118 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.311 -1.996 -15.192 1.00 0.00 H new ATOM 0 HG LEU A 53 -28.964 -3.281 -13.878 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.329 -2.127 -15.341 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -28.249 -3.349 -16.251 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -28.650 -1.623 -16.422 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.412 -0.900 -13.451 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.734 -0.399 -14.532 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.101 -1.252 -13.013 1.00 0.00 H new ATOM 295 N LEU A 54 -32.500 -2.545 -12.544 1.00 0.00 N ATOM 296 CA LEU A 54 -32.682 -1.935 -11.197 1.00 0.00 C ATOM 297 C LEU A 54 -33.091 -3.020 -10.199 1.00 0.00 C ATOM 298 O LEU A 54 -32.729 -2.980 -9.040 1.00 0.00 O ATOM 299 CB LEU A 54 -33.775 -0.865 -11.263 1.00 0.00 C ATOM 300 CG LEU A 54 -33.299 0.295 -12.141 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.331 0.559 -13.239 1.00 0.00 C ATOM 302 CD2 LEU A 54 -33.134 1.550 -11.282 1.00 0.00 C ATOM 0 H LEU A 54 -33.224 -2.318 -13.225 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.746 -1.478 -10.876 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.692 -1.291 -11.670 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -34.008 -0.505 -10.261 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.342 0.039 -12.596 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.993 1.385 -13.865 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.448 -0.335 -13.851 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -35.288 0.816 -12.785 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -32.795 2.376 -11.907 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -34.090 1.808 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -32.399 1.361 -10.500 1.00 0.00 H new ATOM 314 N ARG A 55 -33.842 -3.992 -10.641 1.00 0.00 N ATOM 315 CA ARG A 55 -34.271 -5.079 -9.718 1.00 0.00 C ATOM 316 C ARG A 55 -33.043 -5.854 -9.237 1.00 0.00 C ATOM 317 O ARG A 55 -32.942 -6.223 -8.084 1.00 0.00 O ATOM 318 CB ARG A 55 -35.217 -6.031 -10.453 1.00 0.00 C ATOM 319 CG ARG A 55 -36.562 -5.338 -10.679 1.00 0.00 C ATOM 320 CD ARG A 55 -37.539 -6.321 -11.328 1.00 0.00 C ATOM 321 NE ARG A 55 -38.705 -5.572 -11.875 1.00 0.00 N ATOM 322 CZ ARG A 55 -39.903 -6.085 -11.803 1.00 0.00 C ATOM 323 NH1 ARG A 55 -40.297 -6.671 -10.705 1.00 0.00 N ATOM 324 NH2 ARG A 55 -40.708 -6.010 -12.828 1.00 0.00 N ATOM 0 H ARG A 55 -34.176 -4.080 -11.601 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.786 -4.644 -8.861 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -34.783 -6.327 -11.408 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.358 -6.942 -9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -36.964 -4.982 -9.730 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.430 -4.464 -11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.041 -6.873 -12.125 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -37.875 -7.054 -10.595 1.00 0.00 H new ATOM 0 HE ARG A 55 -38.567 -4.658 -12.306 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -39.669 -6.728 -9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -41.233 -7.072 -10.649 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -40.401 -5.550 -13.685 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -41.644 -6.411 -12.772 1.00 0.00 H new ATOM 338 N GLY A 56 -32.109 -6.105 -10.113 1.00 0.00 N ATOM 339 CA GLY A 56 -30.888 -6.856 -9.706 1.00 0.00 C ATOM 340 C GLY A 56 -29.958 -5.931 -8.921 1.00 0.00 C ATOM 341 O GLY A 56 -29.250 -6.356 -8.028 1.00 0.00 O ATOM 0 H GLY A 56 -32.139 -5.823 -11.093 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.164 -7.716 -9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.375 -7.242 -10.587 1.00 0.00 H new ATOM 345 N ALA A 57 -29.952 -4.668 -9.246 1.00 0.00 N ATOM 346 CA ALA A 57 -29.067 -3.715 -8.517 1.00 0.00 C ATOM 347 C ALA A 57 -29.669 -3.414 -7.143 1.00 0.00 C ATOM 348 O ALA A 57 -29.024 -2.848 -6.283 1.00 0.00 O ATOM 349 CB ALA A 57 -28.945 -2.419 -9.319 1.00 0.00 C ATOM 0 H ALA A 57 -30.521 -4.254 -9.984 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.078 -4.157 -8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.298 -1.721 -8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.517 -2.636 -10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -29.932 -1.975 -9.445 1.00 0.00 H new ATOM 355 N PHE A 58 -30.900 -3.787 -6.931 1.00 0.00 N ATOM 356 CA PHE A 58 -31.546 -3.526 -5.614 1.00 0.00 C ATOM 357 C PHE A 58 -32.161 -4.823 -5.081 1.00 0.00 C ATOM 358 O PHE A 58 -32.749 -4.854 -4.018 1.00 0.00 O ATOM 359 CB PHE A 58 -32.646 -2.478 -5.790 1.00 0.00 C ATOM 360 CG PHE A 58 -32.025 -1.150 -6.155 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.345 -1.006 -7.370 1.00 0.00 C ATOM 362 CD2 PHE A 58 -32.131 -0.063 -5.278 1.00 0.00 C ATOM 363 CE1 PHE A 58 -30.770 0.225 -7.709 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.556 1.168 -5.618 1.00 0.00 C ATOM 365 CZ PHE A 58 -30.876 1.313 -6.833 1.00 0.00 C ATOM 0 H PHE A 58 -31.488 -4.263 -7.615 1.00 0.00 H new ATOM 0 HA PHE A 58 -30.800 -3.160 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.341 -2.792 -6.569 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.221 -2.381 -4.869 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.264 -1.844 -8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.656 -0.174 -4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.245 0.336 -8.646 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.637 2.006 -4.942 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.434 2.263 -7.095 1.00 0.00 H new ATOM 375 N SER A 59 -32.032 -5.894 -5.815 1.00 0.00 N ATOM 376 CA SER A 59 -32.611 -7.190 -5.362 1.00 0.00 C ATOM 377 C SER A 59 -31.839 -7.717 -4.147 1.00 0.00 C ATOM 378 O SER A 59 -32.418 -8.003 -3.116 1.00 0.00 O ATOM 379 CB SER A 59 -32.521 -8.208 -6.501 1.00 0.00 C ATOM 380 OG SER A 59 -32.447 -9.519 -5.960 1.00 0.00 O ATOM 0 H SER A 59 -31.549 -5.927 -6.713 1.00 0.00 H new ATOM 0 HA SER A 59 -33.653 -7.037 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 59 -33.391 -8.120 -7.151 1.00 0.00 H new ATOM 0 HB3 SER A 59 -31.643 -8.006 -7.115 1.00 0.00 H new ATOM 0 HG SER A 59 -32.391 -10.171 -6.689 1.00 0.00 H new ATOM 386 N PRO A 60 -30.509 -7.860 -4.271 1.00 0.00 N ATOM 387 CA PRO A 60 -29.664 -8.366 -3.180 1.00 0.00 C ATOM 388 C PRO A 60 -29.585 -7.385 -2.007 1.00 0.00 C ATOM 389 O PRO A 60 -29.301 -7.764 -0.888 1.00 0.00 O ATOM 390 CB PRO A 60 -28.291 -8.520 -3.832 1.00 0.00 C ATOM 391 CG PRO A 60 -28.308 -7.562 -4.974 1.00 0.00 C ATOM 392 CD PRO A 60 -29.723 -7.539 -5.476 1.00 0.00 C ATOM 0 HA PRO A 60 -30.057 -9.291 -2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.490 -8.286 -3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.127 -9.542 -4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -27.991 -6.569 -4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -27.621 -7.879 -5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -29.990 -6.564 -5.884 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -29.882 -8.271 -6.268 1.00 0.00 H new ATOM 400 N PHE A 61 -29.832 -6.127 -2.250 1.00 0.00 N ATOM 401 CA PHE A 61 -29.771 -5.132 -1.144 1.00 0.00 C ATOM 402 C PHE A 61 -31.005 -5.283 -0.252 1.00 0.00 C ATOM 403 O PHE A 61 -31.036 -4.812 0.866 1.00 0.00 O ATOM 404 CB PHE A 61 -29.735 -3.719 -1.728 1.00 0.00 C ATOM 405 CG PHE A 61 -28.361 -3.440 -2.287 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.288 -3.196 -1.423 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.163 -3.422 -3.672 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.015 -2.935 -1.945 1.00 0.00 C ATOM 409 CE2 PHE A 61 -26.891 -3.163 -4.194 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.816 -2.918 -3.331 1.00 0.00 C ATOM 0 H PHE A 61 -30.073 -5.746 -3.165 1.00 0.00 H new ATOM 0 HA PHE A 61 -28.872 -5.303 -0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.485 -3.619 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -29.981 -2.989 -0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.441 -3.209 -0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -28.992 -3.608 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.186 -2.747 -1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.738 -3.152 -5.263 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.834 -2.716 -3.734 1.00 0.00 H new ATOM 420 N GLY A 62 -32.023 -5.938 -0.740 1.00 0.00 N ATOM 421 CA GLY A 62 -33.254 -6.119 0.082 1.00 0.00 C ATOM 422 C GLY A 62 -34.461 -6.322 -0.838 1.00 0.00 C ATOM 423 O GLY A 62 -34.346 -6.284 -2.048 1.00 0.00 O ATOM 0 H GLY A 62 -32.056 -6.355 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.139 -6.978 0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.411 -5.247 0.717 1.00 0.00 H new ATOM 427 N ASN A 63 -35.617 -6.539 -0.274 1.00 0.00 N ATOM 428 CA ASN A 63 -36.831 -6.744 -1.113 1.00 0.00 C ATOM 429 C ASN A 63 -37.471 -5.390 -1.424 1.00 0.00 C ATOM 430 O ASN A 63 -37.510 -4.505 -0.592 1.00 0.00 O ATOM 431 CB ASN A 63 -37.833 -7.618 -0.356 1.00 0.00 C ATOM 432 CG ASN A 63 -37.194 -8.973 -0.048 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.263 -9.384 -0.711 1.00 0.00 O ATOM 434 ND2 ASN A 63 -37.655 -9.689 0.941 1.00 0.00 N ATOM 0 H ASN A 63 -35.773 -6.583 0.733 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.549 -7.236 -2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.134 -7.127 0.569 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.735 -7.756 -0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.233 -10.593 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -38.437 -9.345 1.499 1.00 0.00 H new ATOM 441 N ILE A 64 -37.974 -5.220 -2.616 1.00 0.00 N ATOM 442 CA ILE A 64 -38.610 -3.923 -2.978 1.00 0.00 C ATOM 443 C ILE A 64 -40.131 -4.081 -2.972 1.00 0.00 C ATOM 444 O ILE A 64 -40.679 -4.932 -3.643 1.00 0.00 O ATOM 445 CB ILE A 64 -38.145 -3.500 -4.372 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.618 -3.431 -4.402 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.725 -2.124 -4.705 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.140 -3.296 -5.849 1.00 0.00 C ATOM 0 H ILE A 64 -37.972 -5.924 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.322 -3.162 -2.253 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.489 -4.228 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.270 -2.583 -3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.194 -4.328 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.395 -1.821 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.814 -2.173 -4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.380 -1.396 -3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.051 -3.247 -5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.475 -4.159 -6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.552 -2.386 -6.285 1.00 0.00 H new ATOM 460 N ILE A 65 -40.817 -3.268 -2.217 1.00 0.00 N ATOM 461 CA ILE A 65 -42.303 -3.373 -2.166 1.00 0.00 C ATOM 462 C ILE A 65 -42.919 -2.444 -3.215 1.00 0.00 C ATOM 463 O ILE A 65 -44.021 -2.660 -3.677 1.00 0.00 O ATOM 464 CB ILE A 65 -42.793 -2.966 -0.775 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.623 -1.456 -0.594 1.00 0.00 C ATOM 466 CG2 ILE A 65 -41.976 -3.701 0.288 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.300 -1.019 0.707 1.00 0.00 C ATOM 0 H ILE A 65 -40.413 -2.536 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.602 -4.401 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 65 -43.846 -3.228 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.564 -1.199 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.060 -0.926 -1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.325 -3.412 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.097 -4.777 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -40.923 -3.439 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.179 0.057 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.362 -1.262 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.842 -1.539 1.548 1.00 0.00 H new ATOM 479 N ASP A 66 -42.217 -1.411 -3.594 1.00 0.00 N ATOM 480 CA ASP A 66 -42.766 -0.471 -4.611 1.00 0.00 C ATOM 481 C ASP A 66 -41.637 0.016 -5.521 1.00 0.00 C ATOM 482 O ASP A 66 -40.731 0.702 -5.090 1.00 0.00 O ATOM 483 CB ASP A 66 -43.405 0.727 -3.908 1.00 0.00 C ATOM 484 CG ASP A 66 -44.660 0.270 -3.160 1.00 0.00 C ATOM 485 OD1 ASP A 66 -45.272 -0.688 -3.601 1.00 0.00 O ATOM 486 OD2 ASP A 66 -44.988 0.887 -2.160 1.00 0.00 O ATOM 0 H ASP A 66 -41.288 -1.178 -3.243 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.518 -0.985 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -42.696 1.174 -3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -43.663 1.495 -4.637 1.00 0.00 H new ATOM 491 N LEU A 67 -41.684 -0.332 -6.778 1.00 0.00 N ATOM 492 CA LEU A 67 -40.614 0.111 -7.716 1.00 0.00 C ATOM 493 C LEU A 67 -41.185 1.154 -8.679 1.00 0.00 C ATOM 494 O LEU A 67 -42.216 0.950 -9.288 1.00 0.00 O ATOM 495 CB LEU A 67 -40.104 -1.093 -8.511 1.00 0.00 C ATOM 496 CG LEU A 67 -38.907 -0.671 -9.366 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.749 -1.643 -9.136 1.00 0.00 C ATOM 498 CD2 LEU A 67 -39.305 -0.690 -10.844 1.00 0.00 C ATOM 0 H LEU A 67 -42.418 -0.904 -7.196 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.790 0.548 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.814 -1.895 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.898 -1.485 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.596 0.336 -9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.896 -1.343 -9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.466 -1.630 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -38.058 -2.650 -9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -38.453 -0.390 -11.454 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -39.615 -1.697 -11.124 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -40.131 0.003 -11.007 1.00 0.00 H new ATOM 510 N SER A 68 -40.526 2.273 -8.820 1.00 0.00 N ATOM 511 CA SER A 68 -41.038 3.325 -9.743 1.00 0.00 C ATOM 512 C SER A 68 -39.932 3.738 -10.716 1.00 0.00 C ATOM 513 O SER A 68 -38.765 3.750 -10.376 1.00 0.00 O ATOM 514 CB SER A 68 -41.482 4.543 -8.929 1.00 0.00 C ATOM 515 OG SER A 68 -42.486 4.153 -8.002 1.00 0.00 O ATOM 0 H SER A 68 -39.658 2.503 -8.337 1.00 0.00 H new ATOM 0 HA SER A 68 -41.885 2.932 -10.305 1.00 0.00 H new ATOM 0 HB2 SER A 68 -40.630 4.971 -8.400 1.00 0.00 H new ATOM 0 HB3 SER A 68 -41.866 5.317 -9.593 1.00 0.00 H new ATOM 0 HG SER A 68 -42.769 4.932 -7.479 1.00 0.00 H new ATOM 521 N MET A 69 -40.289 4.077 -11.924 1.00 0.00 N ATOM 522 CA MET A 69 -39.260 4.491 -12.919 1.00 0.00 C ATOM 523 C MET A 69 -39.650 5.840 -13.525 1.00 0.00 C ATOM 524 O MET A 69 -40.815 6.158 -13.657 1.00 0.00 O ATOM 525 CB MET A 69 -39.172 3.440 -14.030 1.00 0.00 C ATOM 526 CG MET A 69 -38.684 2.115 -13.440 1.00 0.00 C ATOM 527 SD MET A 69 -38.362 0.942 -14.780 1.00 0.00 S ATOM 528 CE MET A 69 -36.863 1.732 -15.417 1.00 0.00 C ATOM 0 H MET A 69 -41.250 4.085 -12.265 1.00 0.00 H new ATOM 0 HA MET A 69 -38.293 4.580 -12.425 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.148 3.305 -14.496 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.489 3.776 -14.810 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.777 2.276 -12.857 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.433 1.710 -12.759 1.00 0.00 H new ATOM 0 HE1 MET A 69 -36.251 0.990 -15.930 1.00 0.00 H new ATOM 0 HE2 MET A 69 -37.137 2.522 -16.116 1.00 0.00 H new ATOM 0 HE3 MET A 69 -36.297 2.160 -14.589 1.00 0.00 H new ATOM 538 N ASP A 70 -38.685 6.637 -13.897 1.00 0.00 N ATOM 539 CA ASP A 70 -39.002 7.964 -14.494 1.00 0.00 C ATOM 540 C ASP A 70 -38.302 8.096 -15.848 1.00 0.00 C ATOM 541 O ASP A 70 -37.155 8.489 -15.927 1.00 0.00 O ATOM 542 CB ASP A 70 -38.516 9.072 -13.558 1.00 0.00 C ATOM 543 CG ASP A 70 -39.643 10.082 -13.334 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.614 10.030 -14.071 1.00 0.00 O ATOM 545 OD2 ASP A 70 -39.516 10.890 -12.429 1.00 0.00 O ATOM 0 H ASP A 70 -37.691 6.425 -13.813 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.079 8.052 -14.633 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.201 8.646 -12.606 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -37.647 9.570 -13.988 1.00 0.00 H new ATOM 550 N PRO A 71 -39.012 7.758 -16.936 1.00 0.00 N ATOM 551 CA PRO A 71 -38.463 7.838 -18.290 1.00 0.00 C ATOM 552 C PRO A 71 -38.351 9.279 -18.828 1.00 0.00 C ATOM 553 O PRO A 71 -37.503 9.555 -19.653 1.00 0.00 O ATOM 554 CB PRO A 71 -39.450 7.029 -19.130 1.00 0.00 C ATOM 555 CG PRO A 71 -40.740 7.077 -18.381 1.00 0.00 C ATOM 556 CD PRO A 71 -40.404 7.271 -16.922 1.00 0.00 C ATOM 0 HA PRO A 71 -37.441 7.461 -18.319 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.559 7.455 -20.127 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -39.108 6.002 -19.258 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.365 7.893 -18.743 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -41.304 6.155 -18.526 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.074 7.991 -16.451 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.495 6.339 -16.364 1.00 0.00 H new ATOM 564 N PRO A 72 -39.206 10.224 -18.373 1.00 0.00 N ATOM 565 CA PRO A 72 -39.143 11.609 -18.853 1.00 0.00 C ATOM 566 C PRO A 72 -37.965 12.370 -18.238 1.00 0.00 C ATOM 567 O PRO A 72 -37.460 13.317 -18.808 1.00 0.00 O ATOM 568 CB PRO A 72 -40.458 12.221 -18.378 1.00 0.00 C ATOM 569 CG PRO A 72 -40.851 11.413 -17.188 1.00 0.00 C ATOM 570 CD PRO A 72 -40.283 10.033 -17.379 1.00 0.00 C ATOM 0 HA PRO A 72 -39.003 11.657 -19.933 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.333 13.272 -18.118 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.220 12.174 -19.156 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.467 11.864 -16.273 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.936 11.372 -17.092 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.896 9.628 -16.444 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -41.040 9.336 -17.739 1.00 0.00 H new ATOM 578 N ARG A 73 -37.525 11.963 -17.080 1.00 0.00 N ATOM 579 CA ARG A 73 -36.381 12.662 -16.428 1.00 0.00 C ATOM 580 C ARG A 73 -35.173 11.724 -16.367 1.00 0.00 C ATOM 581 O ARG A 73 -34.130 12.075 -15.854 1.00 0.00 O ATOM 582 CB ARG A 73 -36.780 13.073 -15.010 1.00 0.00 C ATOM 583 CG ARG A 73 -37.944 14.063 -15.072 1.00 0.00 C ATOM 584 CD ARG A 73 -38.279 14.546 -13.659 1.00 0.00 C ATOM 585 NE ARG A 73 -39.541 15.337 -13.691 1.00 0.00 N ATOM 586 CZ ARG A 73 -39.715 16.249 -14.608 1.00 0.00 C ATOM 587 NH1 ARG A 73 -38.725 17.028 -14.949 1.00 0.00 N ATOM 588 NH2 ARG A 73 -40.880 16.382 -15.181 1.00 0.00 N ATOM 0 H ARG A 73 -37.908 11.176 -16.556 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.120 13.549 -17.006 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.067 12.194 -14.433 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -35.930 13.526 -14.499 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.681 14.911 -15.705 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.816 13.588 -15.522 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.388 13.694 -12.988 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -37.464 15.156 -13.269 1.00 0.00 H new ATOM 0 HE ARG A 73 -40.268 15.166 -12.997 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -37.816 16.924 -14.499 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -38.861 17.741 -15.666 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -41.653 15.774 -14.912 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -41.017 17.094 -15.898 1.00 0.00 H new ATOM 602 N ASN A 74 -35.305 10.532 -16.886 1.00 0.00 N ATOM 603 CA ASN A 74 -34.162 9.577 -16.855 1.00 0.00 C ATOM 604 C ASN A 74 -33.800 9.262 -15.402 1.00 0.00 C ATOM 605 O ASN A 74 -32.642 9.159 -15.050 1.00 0.00 O ATOM 606 CB ASN A 74 -32.954 10.200 -17.556 1.00 0.00 C ATOM 607 CG ASN A 74 -33.299 10.472 -19.022 1.00 0.00 C ATOM 608 OD1 ASN A 74 -34.284 9.974 -19.529 1.00 0.00 O ATOM 609 ND2 ASN A 74 -32.522 11.247 -19.729 1.00 0.00 N ATOM 0 H ASN A 74 -36.154 10.180 -17.329 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.445 8.658 -17.368 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.671 11.128 -17.060 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -32.097 9.530 -17.491 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -32.742 11.434 -20.707 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -31.695 11.665 -19.303 1.00 0.00 H new ATOM 616 N CYS A 75 -34.781 9.108 -14.555 1.00 0.00 N ATOM 617 CA CYS A 75 -34.490 8.800 -13.127 1.00 0.00 C ATOM 618 C CYS A 75 -35.385 7.651 -12.660 1.00 0.00 C ATOM 619 O CYS A 75 -36.429 7.396 -13.228 1.00 0.00 O ATOM 620 CB CYS A 75 -34.761 10.038 -12.272 1.00 0.00 C ATOM 621 SG CYS A 75 -34.167 11.513 -13.139 1.00 0.00 S ATOM 0 H CYS A 75 -35.771 9.182 -14.790 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.444 8.510 -13.024 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -35.828 10.127 -12.070 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -34.261 9.944 -11.308 1.00 0.00 H new ATOM 0 HG CYS A 75 -33.313 12.143 -12.388 1.00 0.00 H new ATOM 627 N ALA A 76 -34.986 6.957 -11.630 1.00 0.00 N ATOM 628 CA ALA A 76 -35.815 5.826 -11.129 1.00 0.00 C ATOM 629 C ALA A 76 -35.855 5.863 -9.600 1.00 0.00 C ATOM 630 O ALA A 76 -34.943 6.344 -8.958 1.00 0.00 O ATOM 631 CB ALA A 76 -35.204 4.502 -11.591 1.00 0.00 C ATOM 0 H ALA A 76 -34.122 7.124 -11.114 1.00 0.00 H new ATOM 0 HA ALA A 76 -36.828 5.915 -11.522 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -35.811 3.674 -11.224 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.174 4.476 -12.680 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.191 4.412 -11.198 1.00 0.00 H new ATOM 637 N PHE A 77 -36.905 5.359 -9.011 1.00 0.00 N ATOM 638 CA PHE A 77 -36.999 5.367 -7.525 1.00 0.00 C ATOM 639 C PHE A 77 -37.051 3.927 -7.010 1.00 0.00 C ATOM 640 O PHE A 77 -37.622 3.055 -7.634 1.00 0.00 O ATOM 641 CB PHE A 77 -38.267 6.109 -7.099 1.00 0.00 C ATOM 642 CG PHE A 77 -38.260 7.495 -7.695 1.00 0.00 C ATOM 643 CD1 PHE A 77 -38.799 7.712 -8.968 1.00 0.00 C ATOM 644 CD2 PHE A 77 -37.712 8.564 -6.975 1.00 0.00 C ATOM 645 CE1 PHE A 77 -38.792 8.998 -9.522 1.00 0.00 C ATOM 646 CE2 PHE A 77 -37.705 9.850 -7.529 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.245 10.067 -8.801 1.00 0.00 C ATOM 0 H PHE A 77 -37.701 4.943 -9.495 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.127 5.870 -7.107 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.150 5.563 -7.431 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.319 6.169 -6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -39.221 6.887 -9.523 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -37.295 8.397 -5.993 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -39.208 9.165 -10.504 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -37.283 10.675 -6.974 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.240 11.059 -9.227 1.00 0.00 H new ATOM 657 N VAL A 78 -36.459 3.669 -5.875 1.00 0.00 N ATOM 658 CA VAL A 78 -36.477 2.284 -5.325 1.00 0.00 C ATOM 659 C VAL A 78 -37.111 2.296 -3.932 1.00 0.00 C ATOM 660 O VAL A 78 -36.813 3.143 -3.112 1.00 0.00 O ATOM 661 CB VAL A 78 -35.045 1.755 -5.229 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.070 0.299 -4.760 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.378 1.836 -6.603 1.00 0.00 C ATOM 0 H VAL A 78 -35.965 4.356 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.059 1.639 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.482 2.357 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.050 -0.079 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.545 0.240 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.633 -0.303 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.358 1.459 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -34.940 1.234 -7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.360 2.873 -6.938 1.00 0.00 H new ATOM 673 N THR A 79 -37.981 1.364 -3.658 1.00 0.00 N ATOM 674 CA THR A 79 -38.630 1.322 -2.318 1.00 0.00 C ATOM 675 C THR A 79 -38.177 0.065 -1.572 1.00 0.00 C ATOM 676 O THR A 79 -38.256 -1.034 -2.085 1.00 0.00 O ATOM 677 CB THR A 79 -40.151 1.292 -2.489 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.566 2.436 -3.221 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.820 1.294 -1.113 1.00 0.00 C ATOM 0 H THR A 79 -38.271 0.630 -4.304 1.00 0.00 H new ATOM 0 HA THR A 79 -38.345 2.206 -1.748 1.00 0.00 H new ATOM 0 HB THR A 79 -40.439 0.390 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.546 2.236 -4.180 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.903 1.273 -1.235 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.501 0.416 -0.552 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.534 2.195 -0.571 1.00 0.00 H new ATOM 687 N TYR A 80 -37.699 0.217 -0.369 1.00 0.00 N ATOM 688 CA TYR A 80 -37.238 -0.971 0.405 1.00 0.00 C ATOM 689 C TYR A 80 -38.156 -1.190 1.609 1.00 0.00 C ATOM 690 O TYR A 80 -38.586 -0.253 2.253 1.00 0.00 O ATOM 691 CB TYR A 80 -35.808 -0.736 0.896 1.00 0.00 C ATOM 692 CG TYR A 80 -34.830 -1.197 -0.159 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.020 -2.425 -0.804 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.732 -0.395 -0.489 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.112 -2.850 -1.781 1.00 0.00 C ATOM 696 CE2 TYR A 80 -32.823 -0.821 -1.465 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.013 -2.047 -2.110 1.00 0.00 C ATOM 698 OH TYR A 80 -32.117 -2.466 -3.073 1.00 0.00 O ATOM 0 H TYR A 80 -37.607 1.112 0.112 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.266 -1.851 -0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.655 0.322 1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.638 -1.278 1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -35.867 -3.044 -0.548 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.586 0.552 0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.259 -3.796 -2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -31.975 -0.203 -1.720 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.171 -3.440 -3.169 1.00 0.00 H new ATOM 708 N GLU A 81 -38.455 -2.421 1.921 1.00 0.00 N ATOM 709 CA GLU A 81 -39.338 -2.699 3.088 1.00 0.00 C ATOM 710 C GLU A 81 -38.594 -2.349 4.377 1.00 0.00 C ATOM 711 O GLU A 81 -39.192 -2.059 5.393 1.00 0.00 O ATOM 712 CB GLU A 81 -39.714 -4.183 3.100 1.00 0.00 C ATOM 713 CG GLU A 81 -40.745 -4.439 4.201 1.00 0.00 C ATOM 714 CD GLU A 81 -41.014 -5.941 4.308 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.394 -6.689 3.570 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.835 -6.318 5.128 1.00 0.00 O ATOM 0 H GLU A 81 -38.126 -3.246 1.419 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.244 -2.097 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -40.121 -4.474 2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -38.826 -4.793 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.379 -4.056 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.670 -3.908 3.978 1.00 0.00 H new ATOM 723 N LYS A 82 -37.289 -2.372 4.339 1.00 0.00 N ATOM 724 CA LYS A 82 -36.501 -2.038 5.558 1.00 0.00 C ATOM 725 C LYS A 82 -35.632 -0.810 5.274 1.00 0.00 C ATOM 726 O LYS A 82 -34.988 -0.719 4.248 1.00 0.00 O ATOM 727 CB LYS A 82 -35.606 -3.224 5.928 1.00 0.00 C ATOM 728 CG LYS A 82 -36.476 -4.424 6.305 1.00 0.00 C ATOM 729 CD LYS A 82 -35.586 -5.565 6.801 1.00 0.00 C ATOM 730 CE LYS A 82 -36.438 -6.813 7.039 1.00 0.00 C ATOM 731 NZ LYS A 82 -35.580 -7.908 7.571 1.00 0.00 N ATOM 0 H LYS A 82 -36.735 -2.608 3.516 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.177 -1.824 6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -34.959 -3.480 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.956 -2.957 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.188 -4.141 7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -37.057 -4.751 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.808 -5.778 6.068 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -35.084 -5.274 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -37.239 -6.590 7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -36.910 -7.127 6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -36.160 -8.756 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -34.831 -8.127 6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -35.150 -7.607 8.469 1.00 0.00 H new ATOM 745 N MET A 83 -35.609 0.135 6.174 1.00 0.00 N ATOM 746 CA MET A 83 -34.783 1.355 5.950 1.00 0.00 C ATOM 747 C MET A 83 -33.308 0.963 5.851 1.00 0.00 C ATOM 748 O MET A 83 -32.515 1.642 5.228 1.00 0.00 O ATOM 749 CB MET A 83 -34.977 2.322 7.119 1.00 0.00 C ATOM 750 CG MET A 83 -36.453 2.710 7.219 1.00 0.00 C ATOM 751 SD MET A 83 -36.653 4.008 8.464 1.00 0.00 S ATOM 752 CE MET A 83 -35.940 5.362 7.497 1.00 0.00 C ATOM 0 H MET A 83 -36.126 0.115 7.053 1.00 0.00 H new ATOM 0 HA MET A 83 -35.092 1.838 5.023 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.648 1.857 8.048 1.00 0.00 H new ATOM 0 HB3 MET A 83 -34.365 3.212 6.974 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.814 3.060 6.252 1.00 0.00 H new ATOM 0 HG3 MET A 83 -37.052 1.839 7.487 1.00 0.00 H new ATOM 0 HE1 MET A 83 -36.607 6.223 7.530 1.00 0.00 H new ATOM 0 HE2 MET A 83 -34.971 5.637 7.915 1.00 0.00 H new ATOM 0 HE3 MET A 83 -35.812 5.042 6.463 1.00 0.00 H new ATOM 762 N GLU A 84 -32.932 -0.128 6.459 1.00 0.00 N ATOM 763 CA GLU A 84 -31.507 -0.562 6.399 1.00 0.00 C ATOM 764 C GLU A 84 -31.180 -1.045 4.984 1.00 0.00 C ATOM 765 O GLU A 84 -30.044 -1.005 4.552 1.00 0.00 O ATOM 766 CB GLU A 84 -31.279 -1.704 7.392 1.00 0.00 C ATOM 767 CG GLU A 84 -31.477 -1.187 8.818 1.00 0.00 C ATOM 768 CD GLU A 84 -31.106 -2.288 9.814 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.878 -3.403 9.376 1.00 0.00 O ATOM 770 OE2 GLU A 84 -31.055 -1.997 10.998 1.00 0.00 O ATOM 0 H GLU A 84 -33.549 -0.738 6.995 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.861 0.277 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.973 -2.520 7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -30.272 -2.106 7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -30.858 -0.306 8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -32.513 -0.882 8.965 1.00 0.00 H new ATOM 777 N SER A 85 -32.164 -1.501 4.259 1.00 0.00 N ATOM 778 CA SER A 85 -31.906 -1.985 2.874 1.00 0.00 C ATOM 779 C SER A 85 -31.599 -0.794 1.965 1.00 0.00 C ATOM 780 O SER A 85 -30.879 -0.911 0.992 1.00 0.00 O ATOM 781 CB SER A 85 -33.143 -2.721 2.353 1.00 0.00 C ATOM 782 OG SER A 85 -33.469 -3.783 3.238 1.00 0.00 O ATOM 0 H SER A 85 -33.135 -1.559 4.566 1.00 0.00 H new ATOM 0 HA SER A 85 -31.054 -2.665 2.879 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.983 -2.031 2.271 1.00 0.00 H new ATOM 0 HB3 SER A 85 -32.953 -3.112 1.353 1.00 0.00 H new ATOM 0 HG SER A 85 -34.262 -4.254 2.906 1.00 0.00 H new ATOM 788 N ALA A 86 -32.137 0.354 2.274 1.00 0.00 N ATOM 789 CA ALA A 86 -31.876 1.552 1.428 1.00 0.00 C ATOM 790 C ALA A 86 -30.501 2.130 1.771 1.00 0.00 C ATOM 791 O ALA A 86 -29.751 2.530 0.903 1.00 0.00 O ATOM 792 CB ALA A 86 -32.953 2.606 1.690 1.00 0.00 C ATOM 0 H ALA A 86 -32.746 0.514 3.076 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.897 1.265 0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.762 3.483 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.932 2.195 1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.933 2.893 2.741 1.00 0.00 H new ATOM 798 N ASP A 87 -30.164 2.176 3.031 1.00 0.00 N ATOM 799 CA ASP A 87 -28.837 2.729 3.426 1.00 0.00 C ATOM 800 C ASP A 87 -27.726 1.799 2.938 1.00 0.00 C ATOM 801 O ASP A 87 -26.692 2.238 2.476 1.00 0.00 O ATOM 802 CB ASP A 87 -28.768 2.847 4.950 1.00 0.00 C ATOM 803 CG ASP A 87 -29.794 3.874 5.431 1.00 0.00 C ATOM 804 OD1 ASP A 87 -30.262 4.644 4.609 1.00 0.00 O ATOM 805 OD2 ASP A 87 -30.093 3.875 6.614 1.00 0.00 O ATOM 0 H ASP A 87 -30.749 1.855 3.803 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.708 3.714 2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -28.965 1.878 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -27.766 3.147 5.257 1.00 0.00 H new ATOM 810 N GLN A 88 -27.933 0.516 3.036 1.00 0.00 N ATOM 811 CA GLN A 88 -26.888 -0.445 2.579 1.00 0.00 C ATOM 812 C GLN A 88 -26.759 -0.373 1.056 1.00 0.00 C ATOM 813 O GLN A 88 -25.678 -0.471 0.510 1.00 0.00 O ATOM 814 CB GLN A 88 -27.283 -1.864 2.992 1.00 0.00 C ATOM 815 CG GLN A 88 -26.186 -2.843 2.568 1.00 0.00 C ATOM 816 CD GLN A 88 -24.970 -2.676 3.482 1.00 0.00 C ATOM 817 OE1 GLN A 88 -25.063 -2.866 4.678 1.00 0.00 O ATOM 818 NE2 GLN A 88 -23.823 -2.326 2.964 1.00 0.00 N ATOM 0 H GLN A 88 -28.780 0.090 3.412 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.933 -0.187 3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.431 -1.912 4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.230 -2.139 2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.557 -3.867 2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.903 -2.661 1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -23.744 -2.166 1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -23.006 -2.212 3.564 1.00 0.00 H new ATOM 827 N ALA A 89 -27.851 -0.200 0.367 1.00 0.00 N ATOM 828 CA ALA A 89 -27.788 -0.121 -1.120 1.00 0.00 C ATOM 829 C ALA A 89 -27.311 1.272 -1.535 1.00 0.00 C ATOM 830 O ALA A 89 -26.547 1.424 -2.467 1.00 0.00 O ATOM 831 CB ALA A 89 -29.177 -0.381 -1.707 1.00 0.00 C ATOM 0 H ALA A 89 -28.785 -0.110 0.768 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.092 -0.871 -1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.129 -0.323 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.517 -1.373 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.876 0.368 -1.334 1.00 0.00 H new ATOM 837 N VAL A 90 -27.753 2.289 -0.849 1.00 0.00 N ATOM 838 CA VAL A 90 -27.323 3.670 -1.206 1.00 0.00 C ATOM 839 C VAL A 90 -25.804 3.782 -1.069 1.00 0.00 C ATOM 840 O VAL A 90 -25.164 4.542 -1.768 1.00 0.00 O ATOM 841 CB VAL A 90 -27.993 4.673 -0.264 1.00 0.00 C ATOM 842 CG1 VAL A 90 -27.360 6.053 -0.455 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.488 4.749 -0.578 1.00 0.00 C ATOM 0 H VAL A 90 -28.393 2.224 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.613 3.886 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.856 4.350 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.837 6.768 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.295 5.999 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.497 6.376 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.965 5.463 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.627 5.072 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.939 3.766 -0.441 1.00 0.00 H new ATOM 853 N ALA A 91 -25.222 3.033 -0.175 1.00 0.00 N ATOM 854 CA ALA A 91 -23.744 3.101 0.005 1.00 0.00 C ATOM 855 C ALA A 91 -23.057 2.293 -1.098 1.00 0.00 C ATOM 856 O ALA A 91 -22.098 2.736 -1.699 1.00 0.00 O ATOM 857 CB ALA A 91 -23.368 2.521 1.370 1.00 0.00 C ATOM 0 H ALA A 91 -25.705 2.377 0.439 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.420 4.140 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.287 2.571 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -23.856 3.096 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.693 1.482 1.426 1.00 0.00 H new ATOM 863 N GLU A 92 -23.538 1.112 -1.368 1.00 0.00 N ATOM 864 CA GLU A 92 -22.909 0.276 -2.430 1.00 0.00 C ATOM 865 C GLU A 92 -23.383 0.752 -3.806 1.00 0.00 C ATOM 866 O GLU A 92 -22.603 0.893 -4.727 1.00 0.00 O ATOM 867 CB GLU A 92 -23.312 -1.186 -2.232 1.00 0.00 C ATOM 868 CG GLU A 92 -22.595 -2.057 -3.266 1.00 0.00 C ATOM 869 CD GLU A 92 -21.109 -2.146 -2.914 1.00 0.00 C ATOM 870 OE1 GLU A 92 -20.780 -1.939 -1.758 1.00 0.00 O ATOM 871 OE2 GLU A 92 -20.324 -2.420 -3.808 1.00 0.00 O ATOM 0 H GLU A 92 -24.339 0.689 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.825 0.368 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -23.054 -1.512 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -24.392 -1.294 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.035 -3.054 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -22.719 -1.634 -4.263 1.00 0.00 H new ATOM 878 N LEU A 93 -24.656 0.994 -3.954 1.00 0.00 N ATOM 879 CA LEU A 93 -25.179 1.457 -5.270 1.00 0.00 C ATOM 880 C LEU A 93 -24.540 2.797 -5.637 1.00 0.00 C ATOM 881 O LEU A 93 -24.267 3.070 -6.789 1.00 0.00 O ATOM 882 CB LEU A 93 -26.699 1.618 -5.186 1.00 0.00 C ATOM 883 CG LEU A 93 -27.340 0.244 -4.986 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.862 0.391 -4.929 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.959 -0.667 -6.154 1.00 0.00 C ATOM 0 H LEU A 93 -25.357 0.891 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.933 0.721 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.962 2.279 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -27.079 2.081 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.984 -0.191 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -29.317 -0.589 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.134 1.042 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -29.221 0.825 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -27.414 -1.647 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -27.316 -0.231 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.875 -0.773 -6.194 1.00 0.00 H new ATOM 897 N ASN A 94 -24.297 3.636 -4.668 1.00 0.00 N ATOM 898 CA ASN A 94 -23.673 4.956 -4.969 1.00 0.00 C ATOM 899 C ASN A 94 -22.236 4.742 -5.448 1.00 0.00 C ATOM 900 O ASN A 94 -21.422 4.161 -4.757 1.00 0.00 O ATOM 901 CB ASN A 94 -23.664 5.818 -3.706 1.00 0.00 C ATOM 902 CG ASN A 94 -23.170 7.224 -4.052 1.00 0.00 C ATOM 903 OD1 ASN A 94 -23.116 7.594 -5.208 1.00 0.00 O ATOM 904 ND2 ASN A 94 -22.805 8.029 -3.091 1.00 0.00 N ATOM 0 H ASN A 94 -24.503 3.466 -3.684 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.247 5.459 -5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -24.666 5.868 -3.280 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.018 5.369 -2.951 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -22.475 8.969 -3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -22.850 7.718 -2.121 1.00 0.00 H new ATOM 911 N GLY A 95 -21.915 5.206 -6.623 1.00 0.00 N ATOM 912 CA GLY A 95 -20.530 5.027 -7.142 1.00 0.00 C ATOM 913 C GLY A 95 -20.394 3.638 -7.769 1.00 0.00 C ATOM 914 O GLY A 95 -19.555 2.850 -7.379 1.00 0.00 O ATOM 0 H GLY A 95 -22.552 5.702 -7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.306 5.795 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.809 5.144 -6.333 1.00 0.00 H new ATOM 918 N THR A 96 -21.210 3.333 -8.739 1.00 0.00 N ATOM 919 CA THR A 96 -21.125 1.997 -9.392 1.00 0.00 C ATOM 920 C THR A 96 -21.235 2.165 -10.908 1.00 0.00 C ATOM 921 O THR A 96 -21.716 3.167 -11.398 1.00 0.00 O ATOM 922 CB THR A 96 -22.269 1.111 -8.891 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.480 1.506 -9.519 1.00 0.00 O ATOM 924 CG2 THR A 96 -22.404 1.257 -7.375 1.00 0.00 C ATOM 0 H THR A 96 -21.932 3.951 -9.108 1.00 0.00 H new ATOM 0 HA THR A 96 -20.171 1.531 -9.146 1.00 0.00 H new ATOM 0 HB THR A 96 -22.057 0.070 -9.134 1.00 0.00 H new ATOM 0 HG1 THR A 96 -24.030 2.009 -8.882 1.00 0.00 H new ATOM 0 HG21 THR A 96 -23.219 0.626 -7.020 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.474 0.952 -6.896 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.616 2.297 -7.127 1.00 0.00 H new ATOM 932 N GLN A 97 -20.794 1.191 -11.656 1.00 0.00 N ATOM 933 CA GLN A 97 -20.874 1.299 -13.138 1.00 0.00 C ATOM 934 C GLN A 97 -21.505 0.028 -13.710 1.00 0.00 C ATOM 935 O GLN A 97 -21.651 -0.966 -13.026 1.00 0.00 O ATOM 936 CB GLN A 97 -19.468 1.474 -13.714 1.00 0.00 C ATOM 937 CG GLN A 97 -19.557 1.668 -15.230 1.00 0.00 C ATOM 938 CD GLN A 97 -18.181 2.052 -15.777 1.00 0.00 C ATOM 939 OE1 GLN A 97 -17.253 2.263 -15.022 1.00 0.00 O ATOM 940 NE2 GLN A 97 -18.010 2.152 -17.066 1.00 0.00 N ATOM 0 H GLN A 97 -20.382 0.326 -11.304 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.486 2.160 -13.406 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.980 2.334 -13.255 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.858 0.601 -13.484 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.906 0.751 -15.705 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -20.284 2.445 -15.466 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.790 1.975 -17.699 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -17.096 2.408 -17.441 1.00 0.00 H new ATOM 949 N VAL A 98 -21.881 0.053 -14.958 1.00 0.00 N ATOM 950 CA VAL A 98 -22.504 -1.154 -15.576 1.00 0.00 C ATOM 951 C VAL A 98 -21.749 -1.503 -16.857 1.00 0.00 C ATOM 952 O VAL A 98 -20.633 -1.073 -17.068 1.00 0.00 O ATOM 953 CB VAL A 98 -23.975 -0.875 -15.922 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.840 -2.038 -15.430 1.00 0.00 C ATOM 955 CG2 VAL A 98 -24.444 0.421 -15.254 1.00 0.00 C ATOM 0 H VAL A 98 -21.784 0.857 -15.578 1.00 0.00 H new ATOM 0 HA VAL A 98 -22.455 -1.983 -14.869 1.00 0.00 H new ATOM 0 HB VAL A 98 -24.069 -0.770 -17.003 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.884 -1.843 -15.674 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -24.520 -2.960 -15.915 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.733 -2.140 -14.350 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -25.488 0.605 -15.509 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -24.345 0.329 -14.172 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.833 1.253 -15.605 1.00 0.00 H new ATOM 965 N GLU A 99 -22.351 -2.274 -17.720 1.00 0.00 N ATOM 966 CA GLU A 99 -21.665 -2.638 -18.989 1.00 0.00 C ATOM 967 C GLU A 99 -21.266 -1.357 -19.723 1.00 0.00 C ATOM 968 O GLU A 99 -20.412 -1.362 -20.588 1.00 0.00 O ATOM 969 CB GLU A 99 -22.613 -3.461 -19.864 1.00 0.00 C ATOM 970 CG GLU A 99 -22.883 -4.808 -19.190 1.00 0.00 C ATOM 971 CD GLU A 99 -23.744 -5.677 -20.109 1.00 0.00 C ATOM 972 OE1 GLU A 99 -24.210 -5.163 -21.112 1.00 0.00 O ATOM 973 OE2 GLU A 99 -23.922 -6.841 -19.792 1.00 0.00 O ATOM 0 H GLU A 99 -23.285 -2.666 -17.601 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.775 -3.229 -18.773 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -23.549 -2.922 -20.013 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -22.174 -3.616 -20.850 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -21.942 -5.313 -18.972 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -23.390 -4.655 -18.237 1.00 0.00 H new ATOM 980 N SER A 100 -21.875 -0.254 -19.376 1.00 0.00 N ATOM 981 CA SER A 100 -21.532 1.033 -20.043 1.00 0.00 C ATOM 982 C SER A 100 -22.446 2.141 -19.515 1.00 0.00 C ATOM 983 O SER A 100 -22.821 3.046 -20.234 1.00 0.00 O ATOM 984 CB SER A 100 -21.719 0.892 -21.555 1.00 0.00 C ATOM 985 OG SER A 100 -20.505 1.223 -22.214 1.00 0.00 O ATOM 0 H SER A 100 -22.596 -0.190 -18.658 1.00 0.00 H new ATOM 0 HA SER A 100 -20.494 1.287 -19.829 1.00 0.00 H new ATOM 0 HB2 SER A 100 -22.013 -0.128 -21.802 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.521 1.547 -21.896 1.00 0.00 H new ATOM 0 HG SER A 100 -20.623 1.131 -23.183 1.00 0.00 H new ATOM 991 N VAL A 101 -22.810 2.077 -18.261 1.00 0.00 N ATOM 992 CA VAL A 101 -23.701 3.125 -17.689 1.00 0.00 C ATOM 993 C VAL A 101 -23.238 3.473 -16.271 1.00 0.00 C ATOM 994 O VAL A 101 -22.460 2.761 -15.669 1.00 0.00 O ATOM 995 CB VAL A 101 -25.136 2.598 -17.639 1.00 0.00 C ATOM 996 CG1 VAL A 101 -26.009 3.568 -16.839 1.00 0.00 C ATOM 997 CG2 VAL A 101 -25.684 2.474 -19.062 1.00 0.00 C ATOM 0 H VAL A 101 -22.528 1.344 -17.610 1.00 0.00 H new ATOM 0 HA VAL A 101 -23.660 4.017 -18.314 1.00 0.00 H new ATOM 0 HB VAL A 101 -25.147 1.619 -17.159 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -27.032 3.192 -16.803 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -25.619 3.656 -15.825 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.999 4.547 -17.318 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -26.707 2.098 -19.027 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -25.673 3.452 -19.543 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -25.063 1.783 -19.632 1.00 0.00 H new ATOM 1007 N GLN A 102 -23.714 4.565 -15.733 1.00 0.00 N ATOM 1008 CA GLN A 102 -23.305 4.958 -14.355 1.00 0.00 C ATOM 1009 C GLN A 102 -24.543 5.043 -13.461 1.00 0.00 C ATOM 1010 O GLN A 102 -25.467 5.785 -13.732 1.00 0.00 O ATOM 1011 CB GLN A 102 -22.614 6.323 -14.399 1.00 0.00 C ATOM 1012 CG GLN A 102 -21.335 6.218 -15.233 1.00 0.00 C ATOM 1013 CD GLN A 102 -20.618 7.570 -15.239 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -21.186 8.574 -14.857 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -19.384 7.638 -15.660 1.00 0.00 N ATOM 0 H GLN A 102 -24.368 5.201 -16.189 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.617 4.214 -13.954 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -23.283 7.068 -14.831 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -22.376 6.655 -13.389 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.681 5.449 -14.821 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -21.576 5.918 -16.253 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.907 6.795 -15.981 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.897 8.534 -15.668 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.573 4.285 -12.399 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.751 4.319 -11.492 1.00 0.00 C ATOM 1026 C LEU A 103 -25.498 5.312 -10.355 1.00 0.00 C ATOM 1027 O LEU A 103 -24.543 5.191 -9.615 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.970 2.923 -10.909 1.00 0.00 C ATOM 1029 CG LEU A 103 -26.695 2.049 -11.933 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -26.659 0.590 -11.473 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -28.149 2.508 -12.058 1.00 0.00 C ATOM 0 H LEU A 103 -23.830 3.643 -12.121 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.634 4.631 -12.050 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.013 2.474 -10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -26.555 2.988 -9.992 1.00 0.00 H new ATOM 0 HG LEU A 103 -26.202 2.138 -12.901 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -27.176 -0.034 -12.202 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -25.623 0.262 -11.384 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.152 0.501 -10.505 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.666 1.885 -12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -28.643 2.419 -11.090 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -28.176 3.548 -12.385 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.351 6.289 -10.207 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.162 7.285 -9.114 1.00 0.00 C ATOM 1045 C LYS A 104 -27.344 7.203 -8.147 1.00 0.00 C ATOM 1046 O LYS A 104 -28.480 7.421 -8.521 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.085 8.692 -9.712 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.688 9.691 -8.622 1.00 0.00 C ATOM 1049 CD LYS A 104 -25.723 11.110 -9.192 1.00 0.00 C ATOM 1050 CE LYS A 104 -25.143 12.088 -8.168 1.00 0.00 C ATOM 1051 NZ LYS A 104 -25.506 11.640 -6.793 1.00 0.00 N ATOM 0 H LYS A 104 -27.170 6.440 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.237 7.070 -8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -25.357 8.714 -10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -27.048 8.969 -10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -26.370 9.611 -7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -24.689 9.462 -8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.150 11.155 -10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -26.748 11.389 -9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -24.059 12.139 -8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -25.528 13.092 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -25.488 12.454 -6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -26.460 11.227 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -24.823 10.926 -6.469 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.091 6.883 -6.907 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.204 6.781 -5.923 1.00 0.00 C ATOM 1067 C VAL A 105 -28.253 8.049 -5.066 1.00 0.00 C ATOM 1068 O VAL A 105 -27.236 8.609 -4.709 1.00 0.00 O ATOM 1069 CB VAL A 105 -27.982 5.557 -5.027 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -26.890 5.859 -3.998 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -29.286 5.215 -4.302 1.00 0.00 C ATOM 0 H VAL A 105 -26.162 6.688 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.150 6.673 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.672 4.712 -5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -26.736 4.986 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -25.961 6.101 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -27.194 6.706 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -29.130 4.345 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -29.595 6.063 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -30.062 4.994 -5.034 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.431 8.501 -4.731 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.549 9.729 -3.895 1.00 0.00 C ATOM 1083 C ASN A 106 -30.677 9.541 -2.878 1.00 0.00 C ATOM 1084 O ASN A 106 -31.272 8.485 -2.786 1.00 0.00 O ATOM 1085 CB ASN A 106 -29.864 10.929 -4.791 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.617 11.310 -5.591 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -27.526 10.876 -5.279 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -28.732 12.108 -6.617 1.00 0.00 N ATOM 0 H ASN A 106 -30.317 8.073 -5.000 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.610 9.906 -3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.683 10.686 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.192 11.773 -4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -27.906 12.367 -7.157 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -29.648 12.473 -6.879 1.00 0.00 H new ATOM 1095 N ILE A 107 -30.976 10.554 -2.113 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.066 10.426 -1.104 1.00 0.00 C ATOM 1097 C ILE A 107 -33.193 11.401 -1.445 1.00 0.00 C ATOM 1098 O ILE A 107 -32.976 12.586 -1.604 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.514 10.751 0.287 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.275 9.895 0.558 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.582 10.451 1.341 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -30.590 8.430 0.249 1.00 0.00 C ATOM 0 H ILE A 107 -30.514 11.463 -2.142 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.452 9.407 -1.113 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.243 11.806 0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -29.442 10.237 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.967 10.000 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.190 10.682 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.465 11.061 1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -32.853 9.396 1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -29.708 7.820 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -31.410 8.093 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.877 8.333 -0.798 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.398 10.913 -1.560 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.539 11.812 -1.891 1.00 0.00 C ATOM 1116 C ALA A 108 -35.860 12.694 -0.684 1.00 0.00 C ATOM 1117 O ALA A 108 -35.631 12.320 0.449 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.765 10.969 -2.247 1.00 0.00 C ATOM 0 H ALA A 108 -34.641 9.930 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.272 12.441 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.600 11.626 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.537 10.340 -3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -37.033 10.340 -1.398 1.00 0.00 H new ATOM 1124 N ARG A 109 -36.387 13.866 -0.916 1.00 0.00 N ATOM 1125 CA ARG A 109 -36.721 14.771 0.219 1.00 0.00 C ATOM 1126 C ARG A 109 -38.189 15.189 0.124 1.00 0.00 C ATOM 1127 O ARG A 109 -38.741 15.318 -0.952 1.00 0.00 O ATOM 1128 CB ARG A 109 -35.831 16.014 0.159 1.00 0.00 C ATOM 1129 CG ARG A 109 -34.373 15.607 0.376 1.00 0.00 C ATOM 1130 CD ARG A 109 -33.495 16.860 0.420 1.00 0.00 C ATOM 1131 NE ARG A 109 -32.059 16.459 0.402 1.00 0.00 N ATOM 1132 CZ ARG A 109 -31.365 16.573 -0.697 1.00 0.00 C ATOM 1133 NH1 ARG A 109 -31.787 16.010 -1.797 1.00 0.00 N ATOM 1134 NH2 ARG A 109 -30.249 17.249 -0.697 1.00 0.00 N ATOM 0 H ARG A 109 -36.600 14.235 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 109 -36.553 14.249 1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -35.942 16.508 -0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -36.137 16.731 0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -34.275 15.048 1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -34.045 14.948 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -33.715 17.502 -0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -33.711 17.438 1.319 1.00 0.00 H new ATOM 0 HE ARG A 109 -31.620 16.096 1.248 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -32.659 15.481 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -31.244 16.099 -2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -29.919 17.688 0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -29.707 17.338 -1.556 1.00 0.00 H new ATOM 1148 N LYS A 110 -38.828 15.401 1.242 1.00 0.00 N ATOM 1149 CA LYS A 110 -40.261 15.810 1.216 1.00 0.00 C ATOM 1150 C LYS A 110 -40.401 17.133 0.461 1.00 0.00 C ATOM 1151 O LYS A 110 -41.350 17.347 -0.267 1.00 0.00 O ATOM 1152 CB LYS A 110 -40.768 15.983 2.648 1.00 0.00 C ATOM 1153 CG LYS A 110 -42.253 16.354 2.623 1.00 0.00 C ATOM 1154 CD LYS A 110 -43.081 15.115 2.277 1.00 0.00 C ATOM 1155 CE LYS A 110 -44.568 15.473 2.299 1.00 0.00 C ATOM 1156 NZ LYS A 110 -45.283 14.698 1.247 1.00 0.00 N ATOM 0 H LYS A 110 -38.420 15.309 2.172 1.00 0.00 H new ATOM 0 HA LYS A 110 -40.849 15.042 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -40.622 15.061 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -40.197 16.760 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -42.557 16.749 3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -42.430 17.140 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -42.801 14.740 1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -42.877 14.317 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -44.991 15.252 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -44.698 16.542 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -46.294 14.942 1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -44.885 14.930 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -45.170 13.680 1.428 1.00 0.00 H new ATOM 1170 N GLN A 111 -39.463 18.025 0.630 1.00 0.00 N ATOM 1171 CA GLN A 111 -39.543 19.334 -0.078 1.00 0.00 C ATOM 1172 C GLN A 111 -38.897 19.206 -1.460 1.00 0.00 C ATOM 1173 O GLN A 111 -37.728 18.900 -1.581 1.00 0.00 O ATOM 1174 CB GLN A 111 -38.806 20.399 0.734 1.00 0.00 C ATOM 1175 CG GLN A 111 -38.678 21.677 -0.098 1.00 0.00 C ATOM 1176 CD GLN A 111 -38.601 22.887 0.835 1.00 0.00 C ATOM 1177 OE1 GLN A 111 -38.323 22.747 2.010 1.00 0.00 O ATOM 1178 NE2 GLN A 111 -38.837 24.080 0.359 1.00 0.00 N ATOM 0 H GLN A 111 -38.645 17.904 1.227 1.00 0.00 H new ATOM 0 HA GLN A 111 -40.588 19.623 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -39.347 20.606 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -37.818 20.036 1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -37.786 21.629 -0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -39.532 21.775 -0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -39.070 24.199 -0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -38.788 24.893 0.973 1.00 0.00 H new ATOM 1187 N PRO A 112 -39.680 19.449 -2.522 1.00 0.00 N ATOM 1188 CA PRO A 112 -39.191 19.364 -3.904 1.00 0.00 C ATOM 1189 C PRO A 112 -38.212 20.495 -4.231 1.00 0.00 C ATOM 1190 O PRO A 112 -38.325 21.593 -3.724 1.00 0.00 O ATOM 1191 CB PRO A 112 -40.461 19.512 -4.743 1.00 0.00 C ATOM 1192 CG PRO A 112 -41.405 20.261 -3.864 1.00 0.00 C ATOM 1193 CD PRO A 112 -41.104 19.825 -2.458 1.00 0.00 C ATOM 0 HA PRO A 112 -38.647 18.438 -4.090 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -40.265 20.055 -5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -40.867 18.540 -5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -41.270 21.337 -3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -42.440 20.041 -4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -41.277 20.628 -1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -41.729 18.986 -2.154 1.00 0.00 H new ATOM 1201 N MET A 113 -37.252 20.236 -5.076 1.00 0.00 N ATOM 1202 CA MET A 113 -36.268 21.296 -5.435 1.00 0.00 C ATOM 1203 C MET A 113 -36.289 21.519 -6.948 1.00 0.00 C ATOM 1204 O MET A 113 -35.373 21.143 -7.654 1.00 0.00 O ATOM 1205 CB MET A 113 -34.867 20.857 -5.003 1.00 0.00 C ATOM 1206 CG MET A 113 -34.823 20.719 -3.480 1.00 0.00 C ATOM 1207 SD MET A 113 -33.121 20.404 -2.951 1.00 0.00 S ATOM 1208 CE MET A 113 -32.472 22.061 -3.277 1.00 0.00 C ATOM 0 H MET A 113 -37.107 19.336 -5.533 1.00 0.00 H new ATOM 0 HA MET A 113 -36.531 22.224 -4.928 1.00 0.00 H new ATOM 0 HB2 MET A 113 -34.611 19.907 -5.472 1.00 0.00 H new ATOM 0 HB3 MET A 113 -34.127 21.586 -5.334 1.00 0.00 H new ATOM 0 HG2 MET A 113 -35.198 21.628 -3.011 1.00 0.00 H new ATOM 0 HG3 MET A 113 -35.472 19.904 -3.159 1.00 0.00 H new ATOM 0 HE1 MET A 113 -31.918 22.412 -2.407 1.00 0.00 H new ATOM 0 HE2 MET A 113 -31.808 22.028 -4.141 1.00 0.00 H new ATOM 0 HE3 MET A 113 -33.298 22.742 -3.480 1.00 0.00 H new TER 1218 MET A 113