USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=19 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 50 THR OG1 : rot 180:sc= 0.149 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc=-0.00492 USER MOD Set 2.1: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 79 THR OG1 : rot 86:sc= -1.18! USER MOD Set 3.1: A 40 ASN : amide:sc= -6.89! C(o=-8!,f=-7.2!) USER MOD Set 3.2: A 83 MET CE :methyl -170:sc= -1.1 (180deg=-1.64!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 165:sc= -1.12 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -162:sc= -3.89! (180deg=-5.29!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -142:sc= -0.471 (180deg=-2.06!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 75 CYS SG : rot 152:sc= -5.87! USER MOD Single : A 80 TYR OH : rot -0:sc= -2.83! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -1.11 USER MOD Single : A 88 GLN : amide:sc=-0.00192 K(o=-0.0019,f=-0.52) USER MOD Single : A 94 ASN : amide:sc= 0.199 K(o=0.2,f=-3.9!) USER MOD Single : A 96 THR OG1 : rot -94:sc= 0.864 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,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=-1.2!) USER MOD Single : A 104 LYS NZ :NH3+ 162:sc= -0.0182 (180deg=-0.269) USER MOD Single : A 106 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.7!) USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.188) USER MOD Single : A 111 GLN : amide:sc= -0.434 K(o=-0.43,f=-2.7!) USER MOD Single : A 113 MET CE :methyl -150:sc= -0.267 (180deg=-1.64!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 35 -39.614 3.810 11.721 1.00 0.00 N ATOM 2 CA ALA A 35 -40.164 2.434 11.562 1.00 0.00 C ATOM 3 C ALA A 35 -40.074 2.015 10.093 1.00 0.00 C ATOM 4 O ALA A 35 -40.144 2.836 9.199 1.00 0.00 O ATOM 5 CB ALA A 35 -41.626 2.416 12.008 1.00 0.00 C ATOM 0 HA ALA A 35 -39.588 1.739 12.174 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -42.029 1.410 11.892 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -41.691 2.715 13.054 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -42.202 3.110 11.396 1.00 0.00 H new ATOM 11 N PRO A 36 -39.917 0.707 9.845 1.00 0.00 N ATOM 12 CA PRO A 36 -39.817 0.164 8.484 1.00 0.00 C ATOM 13 C PRO A 36 -41.147 0.263 7.732 1.00 0.00 C ATOM 14 O PRO A 36 -41.188 0.254 6.518 1.00 0.00 O ATOM 15 CB PRO A 36 -39.451 -1.303 8.710 1.00 0.00 C ATOM 16 CG PRO A 36 -39.970 -1.611 10.074 1.00 0.00 C ATOM 17 CD PRO A 36 -39.826 -0.346 10.871 1.00 0.00 C ATOM 0 HA PRO A 36 -39.093 0.709 7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -39.907 -1.946 7.957 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -38.374 -1.457 8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -41.012 -1.928 10.032 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -39.407 -2.425 10.530 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -40.613 -0.249 11.619 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -38.875 -0.310 11.402 1.00 0.00 H new ATOM 25 N ARG A 37 -42.236 0.357 8.445 1.00 0.00 N ATOM 26 CA ARG A 37 -43.561 0.456 7.771 1.00 0.00 C ATOM 27 C ARG A 37 -43.576 1.680 6.852 1.00 0.00 C ATOM 28 O ARG A 37 -44.184 1.671 5.800 1.00 0.00 O ATOM 29 CB ARG A 37 -44.662 0.596 8.826 1.00 0.00 C ATOM 30 CG ARG A 37 -44.698 -0.663 9.695 1.00 0.00 C ATOM 31 CD ARG A 37 -45.823 -0.539 10.724 1.00 0.00 C ATOM 32 NE ARG A 37 -47.140 -0.615 10.032 1.00 0.00 N ATOM 33 CZ ARG A 37 -48.242 -0.678 10.729 1.00 0.00 C ATOM 34 NH1 ARG A 37 -48.258 -1.318 11.865 1.00 0.00 N ATOM 35 NH2 ARG A 37 -49.327 -0.100 10.290 1.00 0.00 N ATOM 0 H ARG A 37 -42.265 0.369 9.465 1.00 0.00 H new ATOM 0 HA ARG A 37 -43.736 -0.444 7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -44.477 1.473 9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -45.627 0.745 8.342 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -44.856 -1.544 9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -43.741 -0.797 10.200 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -45.743 -1.335 11.464 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -45.736 0.405 11.261 1.00 0.00 H new ATOM 0 HE ARG A 37 -47.181 -0.618 9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -47.410 -1.769 12.208 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -49.119 -1.368 12.410 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -49.314 0.401 9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -50.188 -0.150 10.835 1.00 0.00 H new ATOM 49 N LYS A 38 -42.910 2.733 7.242 1.00 0.00 N ATOM 50 CA LYS A 38 -42.886 3.957 6.390 1.00 0.00 C ATOM 51 C LYS A 38 -42.256 3.625 5.036 1.00 0.00 C ATOM 52 O LYS A 38 -42.565 4.233 4.031 1.00 0.00 O ATOM 53 CB LYS A 38 -42.062 5.044 7.084 1.00 0.00 C ATOM 54 CG LYS A 38 -42.090 6.319 6.240 1.00 0.00 C ATOM 55 CD LYS A 38 -41.176 7.370 6.874 1.00 0.00 C ATOM 56 CE LYS A 38 -41.326 8.696 6.126 1.00 0.00 C ATOM 57 NZ LYS A 38 -40.214 8.840 5.144 1.00 0.00 N ATOM 0 H LYS A 38 -42.382 2.799 8.112 1.00 0.00 H new ATOM 0 HA LYS A 38 -43.905 4.314 6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -42.465 5.243 8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -41.034 4.706 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -41.762 6.102 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -43.109 6.701 6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -41.431 7.503 7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -40.139 7.035 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -42.286 8.729 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -41.313 9.527 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -40.315 9.741 4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -39.303 8.826 5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -40.247 8.053 4.465 1.00 0.00 H new ATOM 71 N GLY A 39 -41.372 2.665 5.001 1.00 0.00 N ATOM 72 CA GLY A 39 -40.724 2.296 3.711 1.00 0.00 C ATOM 73 C GLY A 39 -39.487 3.171 3.495 1.00 0.00 C ATOM 74 O GLY A 39 -39.081 3.914 4.365 1.00 0.00 O ATOM 0 H GLY A 39 -41.071 2.121 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -40.441 1.243 3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -41.426 2.429 2.888 1.00 0.00 H new ATOM 78 N ASN A 40 -38.885 3.090 2.340 1.00 0.00 N ATOM 79 CA ASN A 40 -37.676 3.918 2.069 1.00 0.00 C ATOM 80 C ASN A 40 -37.492 4.073 0.558 1.00 0.00 C ATOM 81 O ASN A 40 -36.847 3.269 -0.085 1.00 0.00 O ATOM 82 CB ASN A 40 -36.444 3.232 2.665 1.00 0.00 C ATOM 83 CG ASN A 40 -35.342 4.271 2.888 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.502 5.426 2.546 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.224 3.906 3.454 1.00 0.00 N ATOM 0 H ASN A 40 -39.178 2.486 1.572 1.00 0.00 H new ATOM 0 HA ASN A 40 -37.800 4.901 2.523 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -36.702 2.751 3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.090 2.449 1.995 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.484 4.590 3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.090 2.936 3.741 1.00 0.00 H new ATOM 92 N THR A 41 -38.055 5.102 -0.014 1.00 0.00 N ATOM 93 CA THR A 41 -37.913 5.308 -1.483 1.00 0.00 C ATOM 94 C THR A 41 -36.519 5.860 -1.789 1.00 0.00 C ATOM 95 O THR A 41 -36.045 6.772 -1.141 1.00 0.00 O ATOM 96 CB THR A 41 -38.972 6.305 -1.962 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.265 5.797 -1.664 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.838 6.509 -3.471 1.00 0.00 C ATOM 0 H THR A 41 -38.607 5.809 0.472 1.00 0.00 H new ATOM 0 HA THR A 41 -38.048 4.357 -1.998 1.00 0.00 H new ATOM 0 HB THR A 41 -38.829 7.259 -1.455 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.945 6.434 -1.968 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.592 7.219 -3.811 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.845 6.898 -3.699 1.00 0.00 H new ATOM 0 HG23 THR A 41 -38.981 5.556 -3.981 1.00 0.00 H new ATOM 106 N LEU A 42 -35.858 5.314 -2.772 1.00 0.00 N ATOM 107 CA LEU A 42 -34.496 5.807 -3.121 1.00 0.00 C ATOM 108 C LEU A 42 -34.522 6.438 -4.515 1.00 0.00 C ATOM 109 O LEU A 42 -35.245 6.004 -5.389 1.00 0.00 O ATOM 110 CB LEU A 42 -33.511 4.636 -3.111 1.00 0.00 C ATOM 111 CG LEU A 42 -33.555 3.941 -1.748 1.00 0.00 C ATOM 112 CD1 LEU A 42 -32.492 2.843 -1.704 1.00 0.00 C ATOM 113 CD2 LEU A 42 -33.278 4.965 -0.644 1.00 0.00 C ATOM 0 H LEU A 42 -36.203 4.547 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.183 6.553 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.764 3.928 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.502 4.994 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 42 -34.540 3.500 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -32.522 2.347 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -32.689 2.114 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -31.507 3.284 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -33.309 4.471 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.293 5.406 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -34.035 5.749 -0.677 1.00 0.00 H new ATOM 125 N TYR A 43 -33.738 7.458 -4.729 1.00 0.00 N ATOM 126 CA TYR A 43 -33.718 8.114 -6.067 1.00 0.00 C ATOM 127 C TYR A 43 -32.511 7.614 -6.862 1.00 0.00 C ATOM 128 O TYR A 43 -31.375 7.846 -6.497 1.00 0.00 O ATOM 129 CB TYR A 43 -33.623 9.630 -5.892 1.00 0.00 C ATOM 130 CG TYR A 43 -33.595 10.295 -7.247 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.794 10.656 -7.875 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.371 10.552 -7.877 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.768 11.271 -9.132 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.346 11.168 -9.134 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.544 11.528 -9.761 1.00 0.00 C ATOM 136 OH TYR A 43 -33.519 12.135 -11.000 1.00 0.00 O ATOM 0 H TYR A 43 -33.111 7.866 -4.036 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.634 7.869 -6.605 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.473 9.994 -5.315 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.724 9.886 -5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.738 10.460 -7.389 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.446 10.275 -7.393 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.693 11.547 -9.617 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.402 11.365 -9.620 1.00 0.00 H new ATOM 0 HH TYR A 43 -32.612 12.456 -11.189 1.00 0.00 H new ATOM 146 N VAL A 44 -32.745 6.928 -7.947 1.00 0.00 N ATOM 147 CA VAL A 44 -31.610 6.412 -8.762 1.00 0.00 C ATOM 148 C VAL A 44 -31.527 7.195 -10.075 1.00 0.00 C ATOM 149 O VAL A 44 -32.525 7.459 -10.714 1.00 0.00 O ATOM 150 CB VAL A 44 -31.833 4.928 -9.066 1.00 0.00 C ATOM 151 CG1 VAL A 44 -30.633 4.379 -9.839 1.00 0.00 C ATOM 152 CG2 VAL A 44 -31.989 4.159 -7.752 1.00 0.00 C ATOM 0 H VAL A 44 -33.673 6.703 -8.304 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.680 6.533 -8.207 1.00 0.00 H new ATOM 0 HB VAL A 44 -32.735 4.811 -9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -30.792 3.323 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.520 4.928 -10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -29.730 4.495 -9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.148 3.102 -7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.086 4.276 -7.152 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -32.844 4.550 -7.201 1.00 0.00 H new ATOM 162 N TYR A 45 -30.344 7.567 -10.480 1.00 0.00 N ATOM 163 CA TYR A 45 -30.197 8.331 -11.749 1.00 0.00 C ATOM 164 C TYR A 45 -29.239 7.590 -12.683 1.00 0.00 C ATOM 165 O TYR A 45 -28.284 6.977 -12.250 1.00 0.00 O ATOM 166 CB TYR A 45 -29.637 9.722 -11.444 1.00 0.00 C ATOM 167 CG TYR A 45 -29.618 10.546 -12.708 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.779 11.203 -13.134 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.440 10.654 -13.457 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.762 11.967 -14.306 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.422 11.418 -14.629 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.584 12.074 -15.055 1.00 0.00 C ATOM 173 OH TYR A 45 -29.567 12.827 -16.211 1.00 0.00 O ATOM 0 H TYR A 45 -29.473 7.374 -9.986 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.171 8.428 -12.230 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.248 10.213 -10.686 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.629 9.639 -11.037 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.688 11.120 -12.557 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.544 10.147 -13.130 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.658 12.474 -14.633 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.512 11.502 -15.205 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.672 12.797 -16.608 1.00 0.00 H new ATOM 183 N GLY A 46 -29.487 7.639 -13.964 1.00 0.00 N ATOM 184 CA GLY A 46 -28.588 6.937 -14.923 1.00 0.00 C ATOM 185 C GLY A 46 -29.205 6.976 -16.322 1.00 0.00 C ATOM 186 O GLY A 46 -30.357 7.319 -16.495 1.00 0.00 O ATOM 0 H GLY A 46 -30.272 8.134 -14.387 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.607 7.412 -14.933 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.438 5.904 -14.608 1.00 0.00 H new ATOM 190 N GLU A 47 -28.444 6.626 -17.324 1.00 0.00 N ATOM 191 CA GLU A 47 -28.987 6.643 -18.711 1.00 0.00 C ATOM 192 C GLU A 47 -29.410 5.229 -19.111 1.00 0.00 C ATOM 193 O GLU A 47 -28.875 4.250 -18.629 1.00 0.00 O ATOM 194 CB GLU A 47 -27.907 7.143 -19.674 1.00 0.00 C ATOM 195 CG GLU A 47 -26.828 6.070 -19.835 1.00 0.00 C ATOM 196 CD GLU A 47 -25.686 6.619 -20.690 1.00 0.00 C ATOM 197 OE1 GLU A 47 -25.774 7.768 -21.093 1.00 0.00 O ATOM 198 OE2 GLU A 47 -24.743 5.883 -20.927 1.00 0.00 O ATOM 0 H GLU A 47 -27.472 6.330 -17.241 1.00 0.00 H new ATOM 0 HA GLU A 47 -29.851 7.307 -18.755 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -28.349 7.377 -20.642 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -27.465 8.064 -19.294 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -26.452 5.768 -18.858 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.251 5.181 -20.302 1.00 0.00 H new ATOM 205 N ASP A 48 -30.370 5.111 -19.987 1.00 0.00 N ATOM 206 CA ASP A 48 -30.827 3.759 -20.415 1.00 0.00 C ATOM 207 C ASP A 48 -30.985 2.862 -19.185 1.00 0.00 C ATOM 208 O ASP A 48 -30.292 1.876 -19.031 1.00 0.00 O ATOM 209 CB ASP A 48 -29.792 3.147 -21.362 1.00 0.00 C ATOM 210 CG ASP A 48 -29.683 4.006 -22.623 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.574 4.809 -22.849 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.710 3.847 -23.343 1.00 0.00 O ATOM 0 H ASP A 48 -30.858 5.893 -20.425 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.784 3.844 -20.929 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.823 3.084 -20.867 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -30.082 2.130 -21.626 1.00 0.00 H new ATOM 217 N MET A 49 -31.893 3.196 -18.310 1.00 0.00 N ATOM 218 CA MET A 49 -32.095 2.361 -17.092 1.00 0.00 C ATOM 219 C MET A 49 -33.457 1.668 -17.169 1.00 0.00 C ATOM 220 O MET A 49 -34.437 2.250 -17.589 1.00 0.00 O ATOM 221 CB MET A 49 -32.046 3.251 -15.849 1.00 0.00 C ATOM 222 CG MET A 49 -30.592 3.615 -15.539 1.00 0.00 C ATOM 223 SD MET A 49 -30.483 4.288 -13.861 1.00 0.00 S ATOM 224 CE MET A 49 -31.631 5.668 -14.096 1.00 0.00 C ATOM 0 H MET A 49 -32.503 4.010 -18.385 1.00 0.00 H new ATOM 0 HA MET A 49 -31.307 1.610 -17.032 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.631 4.156 -16.013 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.491 2.733 -15.000 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.958 2.733 -15.631 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.227 4.346 -16.260 1.00 0.00 H new ATOM 0 HE1 MET A 49 -31.483 6.403 -13.305 1.00 0.00 H new ATOM 0 HE2 MET A 49 -31.446 6.134 -15.064 1.00 0.00 H new ATOM 0 HE3 MET A 49 -32.656 5.299 -14.061 1.00 0.00 H new ATOM 234 N THR A 50 -33.525 0.428 -16.767 1.00 0.00 N ATOM 235 CA THR A 50 -34.824 -0.301 -16.817 1.00 0.00 C ATOM 236 C THR A 50 -35.215 -0.739 -15.404 1.00 0.00 C ATOM 237 O THR A 50 -34.387 -0.818 -14.519 1.00 0.00 O ATOM 238 CB THR A 50 -34.684 -1.534 -17.714 1.00 0.00 C ATOM 239 OG1 THR A 50 -33.848 -2.489 -17.075 1.00 0.00 O ATOM 240 CG2 THR A 50 -34.068 -1.126 -19.052 1.00 0.00 C ATOM 0 H THR A 50 -32.738 -0.111 -16.406 1.00 0.00 H new ATOM 0 HA THR A 50 -35.595 0.355 -17.221 1.00 0.00 H new ATOM 0 HB THR A 50 -35.667 -1.971 -17.889 1.00 0.00 H new ATOM 0 HG1 THR A 50 -33.758 -3.280 -17.647 1.00 0.00 H new ATOM 0 HG21 THR A 50 -33.969 -2.004 -19.690 1.00 0.00 H new ATOM 0 HG22 THR A 50 -34.711 -0.394 -19.540 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.084 -0.689 -18.881 1.00 0.00 H new ATOM 248 N PRO A 51 -36.508 -1.028 -15.193 1.00 0.00 N ATOM 249 CA PRO A 51 -37.021 -1.460 -13.887 1.00 0.00 C ATOM 250 C PRO A 51 -36.530 -2.863 -13.519 1.00 0.00 C ATOM 251 O PRO A 51 -36.249 -3.153 -12.372 1.00 0.00 O ATOM 252 CB PRO A 51 -38.537 -1.470 -14.082 1.00 0.00 C ATOM 253 CG PRO A 51 -38.724 -1.658 -15.550 1.00 0.00 C ATOM 254 CD PRO A 51 -37.571 -0.958 -16.212 1.00 0.00 C ATOM 0 HA PRO A 51 -36.687 -0.807 -13.080 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -39.005 -2.276 -13.516 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.987 -0.538 -13.741 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -38.737 -2.717 -15.808 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -39.675 -1.238 -15.878 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -37.276 -1.453 -17.137 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.818 0.073 -16.467 1.00 0.00 H new ATOM 262 N THR A 52 -36.422 -3.735 -14.484 1.00 0.00 N ATOM 263 CA THR A 52 -35.948 -5.116 -14.189 1.00 0.00 C ATOM 264 C THR A 52 -34.464 -5.078 -13.822 1.00 0.00 C ATOM 265 O THR A 52 -34.029 -5.708 -12.878 1.00 0.00 O ATOM 266 CB THR A 52 -36.147 -5.999 -15.424 1.00 0.00 C ATOM 267 OG1 THR A 52 -35.573 -5.360 -16.556 1.00 0.00 O ATOM 268 CG2 THR A 52 -37.642 -6.218 -15.662 1.00 0.00 C ATOM 0 H THR A 52 -36.641 -3.551 -15.463 1.00 0.00 H new ATOM 0 HA THR A 52 -36.518 -5.525 -13.355 1.00 0.00 H new ATOM 0 HB THR A 52 -35.663 -6.963 -15.265 1.00 0.00 H new ATOM 0 HG1 THR A 52 -35.697 -5.924 -17.348 1.00 0.00 H new ATOM 0 HG21 THR A 52 -37.782 -6.847 -16.541 1.00 0.00 H new ATOM 0 HG22 THR A 52 -38.081 -6.707 -14.792 1.00 0.00 H new ATOM 0 HG23 THR A 52 -38.130 -5.256 -15.822 1.00 0.00 H new ATOM 276 N LEU A 53 -33.686 -4.340 -14.562 1.00 0.00 N ATOM 277 CA LEU A 53 -32.230 -4.255 -14.260 1.00 0.00 C ATOM 278 C LEU A 53 -32.035 -3.668 -12.860 1.00 0.00 C ATOM 279 O LEU A 53 -31.162 -4.079 -12.121 1.00 0.00 O ATOM 280 CB LEU A 53 -31.546 -3.354 -15.290 1.00 0.00 C ATOM 281 CG LEU A 53 -30.038 -3.328 -15.025 1.00 0.00 C ATOM 282 CD1 LEU A 53 -29.429 -4.679 -15.405 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.391 -2.223 -15.861 1.00 0.00 C ATOM 0 H LEU A 53 -33.995 -3.791 -15.364 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.791 -5.252 -14.302 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.743 -3.721 -16.297 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.953 -2.345 -15.233 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.859 -3.134 -13.967 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.356 -4.660 -15.216 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.889 -5.466 -14.808 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.608 -4.874 -16.462 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.318 -2.205 -15.672 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.570 -2.415 -16.919 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.824 -1.260 -15.589 1.00 0.00 H new ATOM 295 N LEU A 54 -32.843 -2.712 -12.491 1.00 0.00 N ATOM 296 CA LEU A 54 -32.705 -2.102 -11.140 1.00 0.00 C ATOM 297 C LEU A 54 -33.064 -3.141 -10.077 1.00 0.00 C ATOM 298 O LEU A 54 -32.427 -3.237 -9.046 1.00 0.00 O ATOM 299 CB LEU A 54 -33.649 -0.904 -11.022 1.00 0.00 C ATOM 300 CG LEU A 54 -33.193 0.199 -11.979 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.409 0.987 -12.469 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.235 1.143 -11.248 1.00 0.00 C ATOM 0 H LEU A 54 -33.592 -2.328 -13.067 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.678 -1.769 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.669 -1.206 -11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.656 -0.532 -9.998 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.684 -0.249 -12.832 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -34.083 1.773 -13.151 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -35.092 0.316 -12.989 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.920 1.435 -11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -31.909 1.929 -11.929 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -32.745 1.590 -10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.368 0.583 -10.899 1.00 0.00 H new ATOM 314 N ARG A 55 -34.081 -3.922 -10.318 1.00 0.00 N ATOM 315 CA ARG A 55 -34.480 -4.956 -9.323 1.00 0.00 C ATOM 316 C ARG A 55 -33.317 -5.926 -9.105 1.00 0.00 C ATOM 317 O ARG A 55 -33.126 -6.447 -8.025 1.00 0.00 O ATOM 318 CB ARG A 55 -35.695 -5.725 -9.846 1.00 0.00 C ATOM 319 CG ARG A 55 -36.931 -4.826 -9.790 1.00 0.00 C ATOM 320 CD ARG A 55 -38.170 -5.638 -10.174 1.00 0.00 C ATOM 321 NE ARG A 55 -39.314 -4.716 -10.423 1.00 0.00 N ATOM 322 CZ ARG A 55 -40.168 -4.979 -11.374 1.00 0.00 C ATOM 323 NH1 ARG A 55 -41.273 -5.617 -11.099 1.00 0.00 N ATOM 324 NH2 ARG A 55 -39.918 -4.604 -12.599 1.00 0.00 N ATOM 0 H ARG A 55 -34.653 -3.888 -11.162 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.735 -4.475 -8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -35.517 -6.054 -10.870 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.857 -6.621 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -37.049 -4.414 -8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.811 -3.982 -10.469 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.967 -6.231 -11.066 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -38.420 -6.338 -9.376 1.00 0.00 H new ATOM 0 HE ARG A 55 -39.429 -3.880 -9.850 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -41.468 -5.909 -10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -41.941 -5.823 -11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -39.055 -4.105 -12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -40.586 -4.810 -13.342 1.00 0.00 H new ATOM 338 N GLY A 56 -32.538 -6.171 -10.123 1.00 0.00 N ATOM 339 CA GLY A 56 -31.387 -7.107 -9.972 1.00 0.00 C ATOM 340 C GLY A 56 -30.262 -6.411 -9.206 1.00 0.00 C ATOM 341 O GLY A 56 -29.569 -7.018 -8.414 1.00 0.00 O ATOM 0 H GLY A 56 -32.648 -5.764 -11.052 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.702 -8.005 -9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -31.032 -7.425 -10.952 1.00 0.00 H new ATOM 345 N ALA A 57 -30.078 -5.141 -9.433 1.00 0.00 N ATOM 346 CA ALA A 57 -28.999 -4.405 -8.715 1.00 0.00 C ATOM 347 C ALA A 57 -29.484 -4.038 -7.312 1.00 0.00 C ATOM 348 O ALA A 57 -28.703 -3.728 -6.437 1.00 0.00 O ATOM 349 CB ALA A 57 -28.652 -3.130 -9.487 1.00 0.00 C ATOM 0 H ALA A 57 -30.627 -4.580 -10.084 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.113 -5.035 -8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -27.863 -2.591 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.309 -3.393 -10.488 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -29.537 -2.497 -9.561 1.00 0.00 H new ATOM 355 N PHE A 58 -30.771 -4.071 -7.096 1.00 0.00 N ATOM 356 CA PHE A 58 -31.315 -3.726 -5.753 1.00 0.00 C ATOM 357 C PHE A 58 -31.979 -4.964 -5.138 1.00 0.00 C ATOM 358 O PHE A 58 -32.466 -4.932 -4.025 1.00 0.00 O ATOM 359 CB PHE A 58 -32.355 -2.612 -5.900 1.00 0.00 C ATOM 360 CG PHE A 58 -31.657 -1.293 -6.130 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.159 -0.976 -7.400 1.00 0.00 C ATOM 362 CD2 PHE A 58 -31.512 -0.384 -5.075 1.00 0.00 C ATOM 363 CE1 PHE A 58 -30.516 0.249 -7.614 1.00 0.00 C ATOM 364 CE2 PHE A 58 -30.870 0.841 -5.288 1.00 0.00 C ATOM 365 CZ PHE A 58 -30.371 1.158 -6.558 1.00 0.00 C ATOM 0 H PHE A 58 -31.470 -4.323 -7.794 1.00 0.00 H new ATOM 0 HA PHE A 58 -30.505 -3.389 -5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.022 -2.832 -6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -32.972 -2.557 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.271 -1.677 -8.214 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -31.896 -0.629 -4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.132 0.493 -8.593 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -30.759 1.542 -4.474 1.00 0.00 H new ATOM 0 HZ PHE A 58 -29.875 2.103 -6.723 1.00 0.00 H new ATOM 375 N SER A 59 -32.007 -6.052 -5.860 1.00 0.00 N ATOM 376 CA SER A 59 -32.643 -7.292 -5.327 1.00 0.00 C ATOM 377 C SER A 59 -31.896 -7.781 -4.081 1.00 0.00 C ATOM 378 O SER A 59 -32.489 -7.991 -3.041 1.00 0.00 O ATOM 379 CB SER A 59 -32.603 -8.380 -6.401 1.00 0.00 C ATOM 380 OG SER A 59 -32.629 -9.658 -5.780 1.00 0.00 O ATOM 0 H SER A 59 -31.616 -6.136 -6.798 1.00 0.00 H new ATOM 0 HA SER A 59 -33.676 -7.073 -5.056 1.00 0.00 H new ATOM 0 HB2 SER A 59 -33.454 -8.273 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 59 -31.703 -8.276 -7.006 1.00 0.00 H new ATOM 0 HG SER A 59 -32.605 -10.356 -6.467 1.00 0.00 H new ATOM 386 N PRO A 60 -30.571 -7.981 -4.189 1.00 0.00 N ATOM 387 CA PRO A 60 -29.749 -8.463 -3.069 1.00 0.00 C ATOM 388 C PRO A 60 -29.637 -7.434 -1.941 1.00 0.00 C ATOM 389 O PRO A 60 -29.374 -7.774 -0.804 1.00 0.00 O ATOM 390 CB PRO A 60 -28.379 -8.698 -3.705 1.00 0.00 C ATOM 391 CG PRO A 60 -28.356 -7.796 -4.890 1.00 0.00 C ATOM 392 CD PRO A 60 -29.767 -7.752 -5.405 1.00 0.00 C ATOM 0 HA PRO A 60 -30.180 -9.351 -2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.573 -8.461 -3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.251 -9.740 -3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.010 -6.800 -4.615 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -27.674 -8.171 -5.653 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -29.998 -6.792 -5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -29.946 -8.520 -6.158 1.00 0.00 H new ATOM 400 N PHE A 61 -29.829 -6.180 -2.241 1.00 0.00 N ATOM 401 CA PHE A 61 -29.729 -5.140 -1.179 1.00 0.00 C ATOM 402 C PHE A 61 -30.946 -5.230 -0.256 1.00 0.00 C ATOM 403 O PHE A 61 -30.924 -4.758 0.863 1.00 0.00 O ATOM 404 CB PHE A 61 -29.677 -3.754 -1.821 1.00 0.00 C ATOM 405 CG PHE A 61 -28.279 -3.491 -2.328 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.280 -3.073 -1.441 1.00 0.00 C ATOM 407 CD2 PHE A 61 -27.983 -3.663 -3.684 1.00 0.00 C ATOM 408 CE1 PHE A 61 -25.984 -2.829 -1.911 1.00 0.00 C ATOM 409 CE2 PHE A 61 -26.687 -3.419 -4.155 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.688 -3.002 -3.269 1.00 0.00 C ATOM 0 H PHE A 61 -30.050 -5.830 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 61 -28.821 -5.304 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.391 -3.694 -2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -29.962 -2.993 -1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.509 -2.939 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -28.754 -3.984 -4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.213 -2.508 -1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.459 -3.553 -5.202 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.688 -2.813 -3.632 1.00 0.00 H new ATOM 420 N GLY A 62 -32.007 -5.834 -0.714 1.00 0.00 N ATOM 421 CA GLY A 62 -33.222 -5.953 0.141 1.00 0.00 C ATOM 422 C GLY A 62 -34.440 -6.244 -0.739 1.00 0.00 C ATOM 423 O GLY A 62 -34.329 -6.394 -1.939 1.00 0.00 O ATOM 0 H GLY A 62 -32.086 -6.250 -1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.089 -6.751 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.377 -5.031 0.701 1.00 0.00 H new ATOM 427 N ASN A 63 -35.601 -6.326 -0.150 1.00 0.00 N ATOM 428 CA ASN A 63 -36.825 -6.607 -0.953 1.00 0.00 C ATOM 429 C ASN A 63 -37.517 -5.289 -1.305 1.00 0.00 C ATOM 430 O ASN A 63 -37.794 -4.473 -0.449 1.00 0.00 O ATOM 431 CB ASN A 63 -37.780 -7.482 -0.137 1.00 0.00 C ATOM 432 CG ASN A 63 -37.137 -8.848 0.108 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.191 -9.216 -0.563 1.00 0.00 O ATOM 434 ND2 ASN A 63 -37.609 -9.621 1.047 1.00 0.00 N ATOM 0 H ASN A 63 -35.755 -6.211 0.852 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.547 -7.128 -1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.009 -7.000 0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.724 -7.603 -0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.185 -10.533 1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -38.402 -9.314 1.610 1.00 0.00 H new ATOM 441 N ILE A 64 -37.796 -5.073 -2.562 1.00 0.00 N ATOM 442 CA ILE A 64 -38.467 -3.806 -2.968 1.00 0.00 C ATOM 443 C ILE A 64 -39.974 -4.039 -3.083 1.00 0.00 C ATOM 444 O ILE A 64 -40.422 -4.942 -3.762 1.00 0.00 O ATOM 445 CB ILE A 64 -37.918 -3.348 -4.320 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.395 -3.223 -4.238 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.523 -1.991 -4.685 1.00 0.00 C ATOM 448 CD1 ILE A 64 -35.816 -3.105 -5.649 1.00 0.00 C ATOM 0 H ILE A 64 -37.588 -5.718 -3.324 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.275 -3.038 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.181 -4.079 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.123 -2.348 -3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.975 -4.092 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.131 -1.665 -5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.608 -2.081 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.262 -1.259 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -34.731 -3.016 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.077 -3.993 -6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.227 -2.222 -6.138 1.00 0.00 H new ATOM 460 N ILE A 65 -40.761 -3.232 -2.426 1.00 0.00 N ATOM 461 CA ILE A 65 -42.239 -3.409 -2.499 1.00 0.00 C ATOM 462 C ILE A 65 -42.825 -2.403 -3.493 1.00 0.00 C ATOM 463 O ILE A 65 -43.952 -2.531 -3.929 1.00 0.00 O ATOM 464 CB ILE A 65 -42.851 -3.174 -1.117 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.784 -1.684 -0.775 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.071 -3.973 -0.072 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.517 -1.430 0.544 1.00 0.00 C ATOM 0 H ILE A 65 -40.445 -2.458 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.467 -4.422 -2.830 1.00 0.00 H new ATOM 0 HB ILE A 65 -43.892 -3.499 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.745 -1.365 -0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.236 -1.096 -1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.506 -3.806 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.119 -5.034 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.030 -3.649 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.470 -0.369 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.559 -1.733 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -43.045 -2.007 1.339 1.00 0.00 H new ATOM 479 N ASP A 66 -42.069 -1.401 -3.852 1.00 0.00 N ATOM 480 CA ASP A 66 -42.586 -0.389 -4.816 1.00 0.00 C ATOM 481 C ASP A 66 -41.458 0.041 -5.758 1.00 0.00 C ATOM 482 O ASP A 66 -40.479 0.627 -5.342 1.00 0.00 O ATOM 483 CB ASP A 66 -43.101 0.828 -4.046 1.00 0.00 C ATOM 484 CG ASP A 66 -43.721 1.827 -5.025 1.00 0.00 C ATOM 485 OD1 ASP A 66 -43.839 1.487 -6.192 1.00 0.00 O ATOM 486 OD2 ASP A 66 -44.067 2.914 -4.592 1.00 0.00 O ATOM 0 H ASP A 66 -41.118 -1.240 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.399 -0.822 -5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -43.841 0.518 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -42.284 1.298 -3.499 1.00 0.00 H new ATOM 491 N LEU A 67 -41.593 -0.241 -7.024 1.00 0.00 N ATOM 492 CA LEU A 67 -40.531 0.155 -7.992 1.00 0.00 C ATOM 493 C LEU A 67 -41.135 1.068 -9.061 1.00 0.00 C ATOM 494 O LEU A 67 -42.005 0.671 -9.811 1.00 0.00 O ATOM 495 CB LEU A 67 -39.953 -1.097 -8.657 1.00 0.00 C ATOM 496 CG LEU A 67 -38.851 -0.692 -9.638 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.582 -0.337 -8.862 1.00 0.00 C ATOM 498 CD2 LEU A 67 -38.559 -1.856 -10.587 1.00 0.00 C ATOM 0 H LEU A 67 -42.392 -0.728 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.737 0.685 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.551 -1.771 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.740 -1.639 -9.181 1.00 0.00 H new ATOM 0 HG LEU A 67 -39.179 0.173 -10.214 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.797 -0.048 -9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.789 0.493 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.254 -1.202 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -37.774 -1.567 -11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -38.232 -2.722 -10.011 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -39.463 -2.109 -11.141 1.00 0.00 H new ATOM 510 N SER A 68 -40.682 2.289 -9.137 1.00 0.00 N ATOM 511 CA SER A 68 -41.234 3.225 -10.156 1.00 0.00 C ATOM 512 C SER A 68 -40.149 3.568 -11.180 1.00 0.00 C ATOM 513 O SER A 68 -38.970 3.523 -10.888 1.00 0.00 O ATOM 514 CB SER A 68 -41.705 4.507 -9.468 1.00 0.00 C ATOM 515 OG SER A 68 -42.660 4.183 -8.467 1.00 0.00 O ATOM 0 H SER A 68 -39.954 2.679 -8.538 1.00 0.00 H new ATOM 0 HA SER A 68 -42.075 2.752 -10.663 1.00 0.00 H new ATOM 0 HB2 SER A 68 -40.857 5.026 -9.022 1.00 0.00 H new ATOM 0 HB3 SER A 68 -42.145 5.185 -10.200 1.00 0.00 H new ATOM 0 HG SER A 68 -42.961 5.004 -8.024 1.00 0.00 H new ATOM 521 N MET A 69 -40.538 3.910 -12.376 1.00 0.00 N ATOM 522 CA MET A 69 -39.531 4.257 -13.418 1.00 0.00 C ATOM 523 C MET A 69 -39.842 5.646 -13.983 1.00 0.00 C ATOM 524 O MET A 69 -40.985 6.005 -14.179 1.00 0.00 O ATOM 525 CB MET A 69 -39.588 3.224 -14.546 1.00 0.00 C ATOM 526 CG MET A 69 -39.199 1.849 -13.999 1.00 0.00 C ATOM 527 SD MET A 69 -37.562 1.945 -13.233 1.00 0.00 S ATOM 528 CE MET A 69 -36.647 2.445 -14.713 1.00 0.00 C ATOM 0 H MET A 69 -41.511 3.964 -12.678 1.00 0.00 H new ATOM 0 HA MET A 69 -38.535 4.258 -12.976 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.592 3.188 -14.970 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.912 3.511 -15.351 1.00 0.00 H new ATOM 0 HG2 MET A 69 -39.935 1.515 -13.268 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.193 1.114 -14.804 1.00 0.00 H new ATOM 0 HE1 MET A 69 -35.675 1.952 -14.723 1.00 0.00 H new ATOM 0 HE2 MET A 69 -37.209 2.158 -15.602 1.00 0.00 H new ATOM 0 HE3 MET A 69 -36.506 3.526 -14.706 1.00 0.00 H new ATOM 538 N ASP A 70 -38.832 6.431 -14.246 1.00 0.00 N ATOM 539 CA ASP A 70 -39.072 7.794 -14.798 1.00 0.00 C ATOM 540 C ASP A 70 -38.267 7.971 -16.087 1.00 0.00 C ATOM 541 O ASP A 70 -37.125 8.385 -16.063 1.00 0.00 O ATOM 542 CB ASP A 70 -38.632 8.844 -13.776 1.00 0.00 C ATOM 543 CG ASP A 70 -39.864 9.423 -13.076 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.435 8.726 -12.253 1.00 0.00 O ATOM 545 OD2 ASP A 70 -40.214 10.552 -13.375 1.00 0.00 O ATOM 0 H ASP A 70 -37.852 6.187 -14.102 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.134 7.917 -15.011 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -37.962 8.395 -13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -38.075 9.639 -14.272 1.00 0.00 H new ATOM 550 N PRO A 71 -38.881 7.646 -17.235 1.00 0.00 N ATOM 551 CA PRO A 71 -38.226 7.766 -18.538 1.00 0.00 C ATOM 552 C PRO A 71 -38.100 9.221 -19.035 1.00 0.00 C ATOM 553 O PRO A 71 -37.191 9.532 -19.779 1.00 0.00 O ATOM 554 CB PRO A 71 -39.125 6.958 -19.471 1.00 0.00 C ATOM 555 CG PRO A 71 -40.473 6.961 -18.827 1.00 0.00 C ATOM 556 CD PRO A 71 -40.259 7.134 -17.344 1.00 0.00 C ATOM 0 HA PRO A 71 -37.197 7.408 -18.492 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.163 7.406 -20.464 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -38.751 5.942 -19.594 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.087 7.769 -19.224 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -41.000 6.029 -19.033 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -40.978 7.833 -16.917 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.376 6.190 -16.812 1.00 0.00 H new ATOM 564 N PRO A 72 -39.010 10.139 -18.636 1.00 0.00 N ATOM 565 CA PRO A 72 -38.938 11.535 -19.082 1.00 0.00 C ATOM 566 C PRO A 72 -37.832 12.306 -18.356 1.00 0.00 C ATOM 567 O PRO A 72 -37.321 13.291 -18.851 1.00 0.00 O ATOM 568 CB PRO A 72 -40.300 12.109 -18.706 1.00 0.00 C ATOM 569 CG PRO A 72 -40.774 11.267 -17.570 1.00 0.00 C ATOM 570 CD PRO A 72 -40.161 9.904 -17.741 1.00 0.00 C ATOM 0 HA PRO A 72 -38.710 11.609 -20.145 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.220 13.156 -18.414 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -40.993 12.064 -19.546 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.478 11.705 -16.617 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.862 11.202 -17.567 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.845 9.486 -16.785 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -40.869 9.200 -18.178 1.00 0.00 H new ATOM 578 N ARG A 73 -37.459 11.866 -17.186 1.00 0.00 N ATOM 579 CA ARG A 73 -36.388 12.574 -16.429 1.00 0.00 C ATOM 580 C ARG A 73 -35.135 11.698 -16.370 1.00 0.00 C ATOM 581 O ARG A 73 -34.118 12.091 -15.835 1.00 0.00 O ATOM 582 CB ARG A 73 -36.873 12.862 -15.006 1.00 0.00 C ATOM 583 CG ARG A 73 -35.885 13.803 -14.313 1.00 0.00 C ATOM 584 CD ARG A 73 -36.333 14.037 -12.869 1.00 0.00 C ATOM 585 NE ARG A 73 -37.632 14.766 -12.863 1.00 0.00 N ATOM 586 CZ ARG A 73 -38.050 15.347 -11.773 1.00 0.00 C ATOM 587 NH1 ARG A 73 -37.790 14.815 -10.610 1.00 0.00 N ATOM 588 NH2 ARG A 73 -38.727 16.461 -11.845 1.00 0.00 N ATOM 0 H ARG A 73 -37.850 11.046 -16.721 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.152 13.512 -16.931 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.865 13.313 -15.032 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -36.961 11.932 -14.445 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -34.884 13.373 -14.329 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -35.833 14.752 -14.848 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -36.436 13.084 -12.350 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -35.579 14.612 -12.332 1.00 0.00 H new ATOM 0 HE ARG A 73 -38.195 14.811 -13.712 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -37.260 13.945 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -38.117 15.269 -9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -38.929 16.877 -12.754 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -39.054 16.915 -10.992 1.00 0.00 H new ATOM 602 N ASN A 74 -35.197 10.513 -16.916 1.00 0.00 N ATOM 603 CA ASN A 74 -34.008 9.617 -16.888 1.00 0.00 C ATOM 604 C ASN A 74 -33.667 9.264 -15.439 1.00 0.00 C ATOM 605 O ASN A 74 -32.517 9.252 -15.048 1.00 0.00 O ATOM 606 CB ASN A 74 -32.817 10.327 -17.533 1.00 0.00 C ATOM 607 CG ASN A 74 -33.168 10.711 -18.972 1.00 0.00 C ATOM 608 OD1 ASN A 74 -33.837 9.970 -19.665 1.00 0.00 O ATOM 609 ND2 ASN A 74 -32.741 11.846 -19.454 1.00 0.00 N ATOM 0 H ASN A 74 -36.020 10.128 -17.380 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.230 8.705 -17.441 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.558 11.218 -16.961 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -31.943 9.676 -17.522 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -32.969 12.111 -20.412 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -32.180 12.468 -18.872 1.00 0.00 H new ATOM 616 N CYS A 75 -34.657 8.975 -14.640 1.00 0.00 N ATOM 617 CA CYS A 75 -34.388 8.623 -13.218 1.00 0.00 C ATOM 618 C CYS A 75 -35.314 7.483 -12.792 1.00 0.00 C ATOM 619 O CYS A 75 -36.287 7.180 -13.455 1.00 0.00 O ATOM 620 CB CYS A 75 -34.642 9.846 -12.333 1.00 0.00 C ATOM 621 SG CYS A 75 -36.391 10.303 -12.427 1.00 0.00 S ATOM 0 H CYS A 75 -35.640 8.967 -14.911 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.350 8.307 -13.111 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -34.367 9.626 -11.301 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -34.019 10.679 -12.658 1.00 0.00 H new ATOM 0 HG CYS A 75 -36.748 10.883 -11.320 1.00 0.00 H new ATOM 627 N ALA A 76 -35.022 6.848 -11.691 1.00 0.00 N ATOM 628 CA ALA A 76 -35.887 5.728 -11.224 1.00 0.00 C ATOM 629 C ALA A 76 -36.027 5.792 -9.701 1.00 0.00 C ATOM 630 O ALA A 76 -35.189 6.341 -9.014 1.00 0.00 O ATOM 631 CB ALA A 76 -35.253 4.394 -11.623 1.00 0.00 C ATOM 0 H ALA A 76 -34.222 7.056 -11.094 1.00 0.00 H new ATOM 0 HA ALA A 76 -36.872 5.814 -11.683 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -35.885 3.574 -11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.154 4.348 -12.707 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.268 4.308 -11.164 1.00 0.00 H new ATOM 637 N PHE A 77 -37.079 5.232 -9.169 1.00 0.00 N ATOM 638 CA PHE A 77 -37.270 5.259 -7.692 1.00 0.00 C ATOM 639 C PHE A 77 -37.283 3.827 -7.154 1.00 0.00 C ATOM 640 O PHE A 77 -37.848 2.935 -7.754 1.00 0.00 O ATOM 641 CB PHE A 77 -38.599 5.941 -7.361 1.00 0.00 C ATOM 642 CG PHE A 77 -38.558 7.375 -7.831 1.00 0.00 C ATOM 643 CD1 PHE A 77 -38.027 8.368 -7.000 1.00 0.00 C ATOM 644 CD2 PHE A 77 -39.052 7.710 -9.097 1.00 0.00 C ATOM 645 CE1 PHE A 77 -37.989 9.698 -7.437 1.00 0.00 C ATOM 646 CE2 PHE A 77 -39.013 9.040 -9.534 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.481 10.034 -8.703 1.00 0.00 C ATOM 0 H PHE A 77 -37.814 4.757 -9.693 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.453 5.814 -7.230 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.421 5.412 -7.843 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.782 5.904 -6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.647 8.109 -6.023 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.463 6.943 -9.737 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.580 10.465 -6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.393 9.299 -10.511 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.451 11.060 -9.039 1.00 0.00 H new ATOM 657 N VAL A 78 -36.662 3.600 -6.030 1.00 0.00 N ATOM 658 CA VAL A 78 -36.637 2.224 -5.459 1.00 0.00 C ATOM 659 C VAL A 78 -37.152 2.257 -4.019 1.00 0.00 C ATOM 660 O VAL A 78 -36.643 2.980 -3.184 1.00 0.00 O ATOM 661 CB VAL A 78 -35.203 1.693 -5.477 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.188 0.247 -4.974 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.660 1.743 -6.906 1.00 0.00 C ATOM 0 H VAL A 78 -36.171 4.307 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.275 1.571 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.578 2.308 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.166 -0.132 -4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.575 0.212 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.812 -0.370 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.638 1.365 -6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.284 1.127 -7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.671 2.773 -7.264 1.00 0.00 H new ATOM 673 N THR A 79 -38.153 1.477 -3.718 1.00 0.00 N ATOM 674 CA THR A 79 -38.696 1.461 -2.331 1.00 0.00 C ATOM 675 C THR A 79 -38.206 0.204 -1.611 1.00 0.00 C ATOM 676 O THR A 79 -38.185 -0.875 -2.170 1.00 0.00 O ATOM 677 CB THR A 79 -40.226 1.459 -2.380 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.676 2.595 -3.102 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.784 1.502 -0.957 1.00 0.00 C ATOM 0 H THR A 79 -38.619 0.849 -4.373 1.00 0.00 H new ATOM 0 HA THR A 79 -38.353 2.346 -1.795 1.00 0.00 H new ATOM 0 HB THR A 79 -40.573 0.552 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.689 2.389 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.873 1.501 -0.993 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.438 0.629 -0.404 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.439 2.407 -0.458 1.00 0.00 H new ATOM 687 N TYR A 80 -37.809 0.332 -0.374 1.00 0.00 N ATOM 688 CA TYR A 80 -37.318 -0.857 0.377 1.00 0.00 C ATOM 689 C TYR A 80 -38.193 -1.079 1.613 1.00 0.00 C ATOM 690 O TYR A 80 -38.753 -0.151 2.162 1.00 0.00 O ATOM 691 CB TYR A 80 -35.872 -0.621 0.816 1.00 0.00 C ATOM 692 CG TYR A 80 -34.929 -1.208 -0.207 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.115 -2.518 -0.663 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.862 -0.442 -0.695 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.237 -3.062 -1.608 1.00 0.00 C ATOM 696 CE2 TYR A 80 -32.984 -0.986 -1.638 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.171 -2.296 -2.095 1.00 0.00 C ATOM 698 OH TYR A 80 -32.303 -2.832 -3.024 1.00 0.00 O ATOM 0 H TYR A 80 -37.804 1.208 0.148 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.366 -1.736 -0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.685 0.447 0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.698 -1.078 1.790 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -35.936 -3.109 -0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.718 0.569 -0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.382 -4.072 -1.961 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.162 -0.395 -2.014 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.571 -3.752 -3.229 1.00 0.00 H new ATOM 708 N GLU A 81 -38.308 -2.300 2.056 1.00 0.00 N ATOM 709 CA GLU A 81 -39.141 -2.580 3.259 1.00 0.00 C ATOM 710 C GLU A 81 -38.359 -2.189 4.515 1.00 0.00 C ATOM 711 O GLU A 81 -38.927 -1.816 5.522 1.00 0.00 O ATOM 712 CB GLU A 81 -39.478 -4.071 3.313 1.00 0.00 C ATOM 713 CG GLU A 81 -40.424 -4.421 2.162 1.00 0.00 C ATOM 714 CD GLU A 81 -40.948 -5.846 2.345 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.474 -6.520 3.245 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.815 -6.240 1.582 1.00 0.00 O ATOM 0 H GLU A 81 -37.861 -3.116 1.637 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.064 -2.003 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -38.566 -4.664 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -39.943 -4.315 4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -41.256 -3.717 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -39.902 -4.334 1.209 1.00 0.00 H new ATOM 723 N LYS A 82 -37.057 -2.269 4.457 1.00 0.00 N ATOM 724 CA LYS A 82 -36.234 -1.901 5.642 1.00 0.00 C ATOM 725 C LYS A 82 -35.422 -0.644 5.324 1.00 0.00 C ATOM 726 O LYS A 82 -34.859 -0.510 4.255 1.00 0.00 O ATOM 727 CB LYS A 82 -35.283 -3.051 5.978 1.00 0.00 C ATOM 728 CG LYS A 82 -34.700 -2.840 7.377 1.00 0.00 C ATOM 729 CD LYS A 82 -33.624 -3.896 7.644 1.00 0.00 C ATOM 730 CE LYS A 82 -33.048 -3.693 9.046 1.00 0.00 C ATOM 731 NZ LYS A 82 -32.426 -4.963 9.515 1.00 0.00 N ATOM 0 H LYS A 82 -36.529 -2.574 3.639 1.00 0.00 H new ATOM 0 HA LYS A 82 -36.886 -1.708 6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -35.815 -4.001 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.481 -3.100 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -34.272 -1.841 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -35.489 -2.911 8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.050 -4.895 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -32.832 -3.820 6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -32.306 -2.895 9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -33.836 -3.386 9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -32.034 -4.826 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -33.146 -5.713 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -31.663 -5.237 8.863 1.00 0.00 H new ATOM 745 N MET A 83 -35.360 0.282 6.240 1.00 0.00 N ATOM 746 CA MET A 83 -34.587 1.531 5.988 1.00 0.00 C ATOM 747 C MET A 83 -33.117 1.188 5.739 1.00 0.00 C ATOM 748 O MET A 83 -32.428 1.869 5.005 1.00 0.00 O ATOM 749 CB MET A 83 -34.698 2.450 7.206 1.00 0.00 C ATOM 750 CG MET A 83 -36.163 2.830 7.428 1.00 0.00 C ATOM 751 SD MET A 83 -36.780 3.725 5.981 1.00 0.00 S ATOM 752 CE MET A 83 -35.661 5.143 6.097 1.00 0.00 C ATOM 0 H MET A 83 -35.811 0.228 7.153 1.00 0.00 H new ATOM 0 HA MET A 83 -34.991 2.036 5.110 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.304 1.949 8.090 1.00 0.00 H new ATOM 0 HB3 MET A 83 -34.098 3.347 7.054 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.761 1.934 7.597 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.258 3.449 8.320 1.00 0.00 H new ATOM 0 HE1 MET A 83 -35.981 5.917 5.400 1.00 0.00 H new ATOM 0 HE2 MET A 83 -35.679 5.539 7.112 1.00 0.00 H new ATOM 0 HE3 MET A 83 -34.647 4.828 5.849 1.00 0.00 H new ATOM 762 N GLU A 84 -32.629 0.141 6.345 1.00 0.00 N ATOM 763 CA GLU A 84 -31.202 -0.240 6.142 1.00 0.00 C ATOM 764 C GLU A 84 -31.011 -0.780 4.723 1.00 0.00 C ATOM 765 O GLU A 84 -29.940 -0.692 4.155 1.00 0.00 O ATOM 766 CB GLU A 84 -30.814 -1.318 7.157 1.00 0.00 C ATOM 767 CG GLU A 84 -29.315 -1.607 7.045 1.00 0.00 C ATOM 768 CD GLU A 84 -28.522 -0.378 7.494 1.00 0.00 C ATOM 769 OE1 GLU A 84 -29.054 0.392 8.276 1.00 0.00 O ATOM 770 OE2 GLU A 84 -27.397 -0.228 7.049 1.00 0.00 O ATOM 0 H GLU A 84 -33.156 -0.467 6.972 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.569 0.636 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.057 -0.987 8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -31.386 -2.228 6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -29.053 -2.467 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -29.059 -1.862 6.017 1.00 0.00 H new ATOM 777 N SER A 85 -32.038 -1.341 4.147 1.00 0.00 N ATOM 778 CA SER A 85 -31.910 -1.888 2.766 1.00 0.00 C ATOM 779 C SER A 85 -31.623 -0.747 1.788 1.00 0.00 C ATOM 780 O SER A 85 -30.885 -0.904 0.835 1.00 0.00 O ATOM 781 CB SER A 85 -33.214 -2.582 2.370 1.00 0.00 C ATOM 782 OG SER A 85 -33.515 -3.598 3.315 1.00 0.00 O ATOM 0 H SER A 85 -32.960 -1.445 4.572 1.00 0.00 H new ATOM 0 HA SER A 85 -31.091 -2.607 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 85 -34.027 -1.857 2.329 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.121 -3.013 1.373 1.00 0.00 H new ATOM 0 HG SER A 85 -34.351 -4.042 3.063 1.00 0.00 H new ATOM 788 N ALA A 86 -32.199 0.398 2.017 1.00 0.00 N ATOM 789 CA ALA A 86 -31.960 1.551 1.101 1.00 0.00 C ATOM 790 C ALA A 86 -30.574 2.138 1.372 1.00 0.00 C ATOM 791 O ALA A 86 -29.821 2.421 0.461 1.00 0.00 O ATOM 792 CB ALA A 86 -33.025 2.622 1.343 1.00 0.00 C ATOM 0 H ALA A 86 -32.826 0.588 2.799 1.00 0.00 H new ATOM 0 HA ALA A 86 -32.014 1.212 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.852 3.465 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -34.013 2.203 1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.971 2.962 2.377 1.00 0.00 H new ATOM 798 N ASP A 87 -30.231 2.325 2.617 1.00 0.00 N ATOM 799 CA ASP A 87 -28.895 2.896 2.944 1.00 0.00 C ATOM 800 C ASP A 87 -27.799 1.948 2.455 1.00 0.00 C ATOM 801 O ASP A 87 -26.746 2.370 2.022 1.00 0.00 O ATOM 802 CB ASP A 87 -28.774 3.074 4.458 1.00 0.00 C ATOM 803 CG ASP A 87 -27.478 3.819 4.783 1.00 0.00 C ATOM 804 OD1 ASP A 87 -26.789 4.203 3.852 1.00 0.00 O ATOM 805 OD2 ASP A 87 -27.196 3.992 5.957 1.00 0.00 O ATOM 0 H ASP A 87 -30.819 2.107 3.422 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.785 3.863 2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.631 3.630 4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -28.780 2.102 4.951 1.00 0.00 H new ATOM 810 N GLN A 88 -28.038 0.668 2.522 1.00 0.00 N ATOM 811 CA GLN A 88 -27.011 -0.308 2.063 1.00 0.00 C ATOM 812 C GLN A 88 -26.826 -0.184 0.550 1.00 0.00 C ATOM 813 O GLN A 88 -25.720 -0.132 0.050 1.00 0.00 O ATOM 814 CB GLN A 88 -27.465 -1.728 2.408 1.00 0.00 C ATOM 815 CG GLN A 88 -26.340 -2.714 2.085 1.00 0.00 C ATOM 816 CD GLN A 88 -26.841 -4.145 2.290 1.00 0.00 C ATOM 817 OE1 GLN A 88 -27.752 -4.584 1.616 1.00 0.00 O ATOM 818 NE2 GLN A 88 -26.280 -4.896 3.197 1.00 0.00 N ATOM 0 H GLN A 88 -28.901 0.255 2.875 1.00 0.00 H new ATOM 0 HA GLN A 88 -26.065 -0.098 2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.727 -1.791 3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.361 -1.983 1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.007 -2.578 1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.480 -2.523 2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -25.515 -4.527 3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.606 -5.852 3.341 1.00 0.00 H new ATOM 827 N ALA A 89 -27.903 -0.134 -0.181 1.00 0.00 N ATOM 828 CA ALA A 89 -27.794 -0.010 -1.663 1.00 0.00 C ATOM 829 C ALA A 89 -27.130 1.321 -2.011 1.00 0.00 C ATOM 830 O ALA A 89 -26.257 1.390 -2.853 1.00 0.00 O ATOM 831 CB ALA A 89 -29.192 -0.063 -2.283 1.00 0.00 C ATOM 0 H ALA A 89 -28.855 -0.174 0.182 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.193 -0.830 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.113 0.028 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.666 -1.012 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.794 0.758 -1.893 1.00 0.00 H new ATOM 837 N VAL A 90 -27.535 2.381 -1.369 1.00 0.00 N ATOM 838 CA VAL A 90 -26.925 3.707 -1.661 1.00 0.00 C ATOM 839 C VAL A 90 -25.473 3.716 -1.181 1.00 0.00 C ATOM 840 O VAL A 90 -24.648 4.453 -1.681 1.00 0.00 O ATOM 841 CB VAL A 90 -27.707 4.802 -0.933 1.00 0.00 C ATOM 842 CG1 VAL A 90 -27.028 6.153 -1.163 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.138 4.851 -1.471 1.00 0.00 C ATOM 0 H VAL A 90 -28.263 2.386 -0.654 1.00 0.00 H new ATOM 0 HA VAL A 90 -26.956 3.891 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.728 4.584 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.585 6.933 -0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.009 6.118 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.006 6.372 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.695 5.631 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.118 5.068 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.622 3.888 -1.306 1.00 0.00 H new ATOM 853 N ALA A 91 -25.154 2.901 -0.213 1.00 0.00 N ATOM 854 CA ALA A 91 -23.756 2.864 0.298 1.00 0.00 C ATOM 855 C ALA A 91 -22.888 2.022 -0.640 1.00 0.00 C ATOM 856 O ALA A 91 -21.678 2.135 -0.647 1.00 0.00 O ATOM 857 CB ALA A 91 -23.743 2.246 1.698 1.00 0.00 C ATOM 0 H ALA A 91 -25.801 2.260 0.245 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.359 3.878 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.720 2.218 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -24.359 2.847 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -24.140 1.232 1.652 1.00 0.00 H new ATOM 863 N GLU A 92 -23.493 1.180 -1.431 1.00 0.00 N ATOM 864 CA GLU A 92 -22.698 0.333 -2.365 1.00 0.00 C ATOM 865 C GLU A 92 -23.065 0.680 -3.810 1.00 0.00 C ATOM 866 O GLU A 92 -22.213 0.985 -4.621 1.00 0.00 O ATOM 867 CB GLU A 92 -23.007 -1.143 -2.103 1.00 0.00 C ATOM 868 CG GLU A 92 -22.564 -1.512 -0.686 1.00 0.00 C ATOM 869 CD GLU A 92 -22.744 -3.016 -0.470 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.327 -3.652 -1.332 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.294 -3.506 0.552 1.00 0.00 O ATOM 0 H GLU A 92 -24.503 1.041 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.636 0.518 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.074 -1.329 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.491 -1.769 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -21.521 -1.235 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.150 -0.956 0.046 1.00 0.00 H new ATOM 878 N LEU A 93 -24.327 0.633 -4.140 1.00 0.00 N ATOM 879 CA LEU A 93 -24.746 0.956 -5.532 1.00 0.00 C ATOM 880 C LEU A 93 -24.317 2.384 -5.879 1.00 0.00 C ATOM 881 O LEU A 93 -23.963 2.679 -7.003 1.00 0.00 O ATOM 882 CB LEU A 93 -26.268 0.840 -5.646 1.00 0.00 C ATOM 883 CG LEU A 93 -26.685 -0.614 -5.417 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.168 -0.778 -5.757 1.00 0.00 C ATOM 885 CD2 LEU A 93 -25.851 -1.532 -6.314 1.00 0.00 C ATOM 0 H LEU A 93 -25.086 0.385 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.274 0.258 -6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.749 1.488 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.597 1.173 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.520 -0.879 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -28.466 -1.814 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -28.762 -0.125 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.333 -0.513 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.148 -2.568 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.016 -1.268 -7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -24.795 -1.415 -6.072 1.00 0.00 H new ATOM 897 N ASN A 94 -24.346 3.272 -4.924 1.00 0.00 N ATOM 898 CA ASN A 94 -23.938 4.677 -5.204 1.00 0.00 C ATOM 899 C ASN A 94 -22.438 4.724 -5.497 1.00 0.00 C ATOM 900 O ASN A 94 -21.629 4.255 -4.721 1.00 0.00 O ATOM 901 CB ASN A 94 -24.245 5.551 -3.987 1.00 0.00 C ATOM 902 CG ASN A 94 -24.163 7.026 -4.383 1.00 0.00 C ATOM 903 OD1 ASN A 94 -24.946 7.497 -5.184 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.239 7.781 -3.852 1.00 0.00 N ATOM 0 H ASN A 94 -24.634 3.086 -3.963 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.490 5.049 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -25.239 5.322 -3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.537 5.339 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -23.175 8.766 -4.110 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -22.582 7.386 -3.180 1.00 0.00 H new ATOM 911 N GLY A 95 -22.058 5.285 -6.612 1.00 0.00 N ATOM 912 CA GLY A 95 -20.609 5.359 -6.952 1.00 0.00 C ATOM 913 C GLY A 95 -20.174 4.057 -7.625 1.00 0.00 C ATOM 914 O GLY A 95 -19.109 3.536 -7.362 1.00 0.00 O ATOM 0 H GLY A 95 -22.688 5.695 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.423 6.203 -7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.021 5.528 -6.050 1.00 0.00 H new ATOM 918 N THR A 96 -20.992 3.525 -8.493 1.00 0.00 N ATOM 919 CA THR A 96 -20.624 2.257 -9.182 1.00 0.00 C ATOM 920 C THR A 96 -20.825 2.420 -10.690 1.00 0.00 C ATOM 921 O THR A 96 -21.487 3.334 -11.142 1.00 0.00 O ATOM 922 CB THR A 96 -21.513 1.120 -8.669 1.00 0.00 C ATOM 923 OG1 THR A 96 -22.826 1.278 -9.189 1.00 0.00 O ATOM 924 CG2 THR A 96 -21.559 1.156 -7.142 1.00 0.00 C ATOM 0 H THR A 96 -21.898 3.914 -8.754 1.00 0.00 H new ATOM 0 HA THR A 96 -19.580 2.022 -8.977 1.00 0.00 H new ATOM 0 HB THR A 96 -21.105 0.163 -8.995 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.375 1.774 -8.546 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.192 0.347 -6.778 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.551 1.035 -6.745 1.00 0.00 H new ATOM 0 HG23 THR A 96 -21.967 2.112 -6.813 1.00 0.00 H new ATOM 932 N GLN A 97 -20.259 1.543 -11.471 1.00 0.00 N ATOM 933 CA GLN A 97 -20.419 1.649 -12.949 1.00 0.00 C ATOM 934 C GLN A 97 -21.000 0.343 -13.494 1.00 0.00 C ATOM 935 O GLN A 97 -20.987 -0.678 -12.836 1.00 0.00 O ATOM 936 CB GLN A 97 -19.053 1.907 -13.591 1.00 0.00 C ATOM 937 CG GLN A 97 -19.236 2.178 -15.086 1.00 0.00 C ATOM 938 CD GLN A 97 -17.886 2.549 -15.705 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.909 2.720 -15.003 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.791 2.681 -17.000 1.00 0.00 N ATOM 0 H GLN A 97 -19.693 0.758 -11.151 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.093 2.472 -13.184 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.569 2.759 -13.113 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.401 1.046 -13.444 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.644 1.296 -15.579 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.951 2.987 -15.235 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.611 2.537 -17.589 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.896 2.928 -17.423 1.00 0.00 H new ATOM 949 N VAL A 98 -21.510 0.367 -14.695 1.00 0.00 N ATOM 950 CA VAL A 98 -22.092 -0.873 -15.285 1.00 0.00 C ATOM 951 C VAL A 98 -21.301 -1.245 -16.537 1.00 0.00 C ATOM 952 O VAL A 98 -20.201 -0.774 -16.750 1.00 0.00 O ATOM 953 CB VAL A 98 -23.561 -0.642 -15.670 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.407 -1.812 -15.165 1.00 0.00 C ATOM 955 CG2 VAL A 98 -24.077 0.661 -15.051 1.00 0.00 C ATOM 0 H VAL A 98 -21.549 1.192 -15.294 1.00 0.00 H new ATOM 0 HA VAL A 98 -22.040 -1.676 -14.550 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.634 -0.571 -16.755 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.450 -1.651 -15.437 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -24.053 -2.739 -15.617 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.321 -1.882 -14.081 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -25.119 0.810 -15.333 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -24.000 0.604 -13.965 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.480 1.498 -15.414 1.00 0.00 H new ATOM 965 N GLU A 99 -21.852 -2.079 -17.376 1.00 0.00 N ATOM 966 CA GLU A 99 -21.126 -2.462 -18.618 1.00 0.00 C ATOM 967 C GLU A 99 -20.676 -1.191 -19.338 1.00 0.00 C ATOM 968 O GLU A 99 -19.753 -1.203 -20.129 1.00 0.00 O ATOM 969 CB GLU A 99 -22.053 -3.268 -19.530 1.00 0.00 C ATOM 970 CG GLU A 99 -21.274 -3.738 -20.760 1.00 0.00 C ATOM 971 CD GLU A 99 -22.236 -4.386 -21.756 1.00 0.00 C ATOM 972 OE1 GLU A 99 -23.423 -4.408 -21.476 1.00 0.00 O ATOM 973 OE2 GLU A 99 -21.770 -4.853 -22.783 1.00 0.00 O ATOM 0 H GLU A 99 -22.769 -2.509 -17.256 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.259 -3.072 -18.365 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -22.455 -4.126 -18.991 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -22.902 -2.657 -19.836 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -20.765 -2.894 -21.226 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -20.504 -4.451 -20.465 1.00 0.00 H new ATOM 980 N SER A 100 -21.324 -0.091 -19.066 1.00 0.00 N ATOM 981 CA SER A 100 -20.940 1.187 -19.726 1.00 0.00 C ATOM 982 C SER A 100 -21.888 2.297 -19.270 1.00 0.00 C ATOM 983 O SER A 100 -22.229 3.186 -20.025 1.00 0.00 O ATOM 984 CB SER A 100 -21.031 1.025 -21.245 1.00 0.00 C ATOM 985 OG SER A 100 -19.840 1.514 -21.845 1.00 0.00 O ATOM 0 H SER A 100 -22.105 -0.023 -18.413 1.00 0.00 H new ATOM 0 HA SER A 100 -19.918 1.447 -19.452 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.176 -0.024 -21.502 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.894 1.569 -21.629 1.00 0.00 H new ATOM 0 HG SER A 100 -19.897 1.409 -22.818 1.00 0.00 H new ATOM 991 N VAL A 101 -22.318 2.252 -18.038 1.00 0.00 N ATOM 992 CA VAL A 101 -23.246 3.301 -17.533 1.00 0.00 C ATOM 993 C VAL A 101 -22.876 3.662 -16.092 1.00 0.00 C ATOM 994 O VAL A 101 -22.133 2.960 -15.437 1.00 0.00 O ATOM 995 CB VAL A 101 -24.680 2.771 -17.574 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.602 3.733 -16.820 1.00 0.00 C ATOM 997 CG2 VAL A 101 -25.140 2.657 -19.028 1.00 0.00 C ATOM 0 H VAL A 101 -22.066 1.533 -17.360 1.00 0.00 H new ATOM 0 HA VAL A 101 -23.167 4.189 -18.160 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.718 1.789 -17.103 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.624 3.355 -16.849 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -25.274 3.814 -15.784 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.565 4.716 -17.290 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -26.162 2.279 -19.058 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -25.102 3.639 -19.500 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -24.484 1.971 -19.564 1.00 0.00 H new ATOM 1007 N GLN A 102 -23.393 4.752 -15.594 1.00 0.00 N ATOM 1008 CA GLN A 102 -23.077 5.160 -14.197 1.00 0.00 C ATOM 1009 C GLN A 102 -24.366 5.175 -13.372 1.00 0.00 C ATOM 1010 O GLN A 102 -25.327 5.832 -13.719 1.00 0.00 O ATOM 1011 CB GLN A 102 -22.459 6.560 -14.202 1.00 0.00 C ATOM 1012 CG GLN A 102 -21.088 6.511 -14.881 1.00 0.00 C ATOM 1013 CD GLN A 102 -20.424 7.886 -14.789 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -21.073 8.866 -14.481 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -19.150 8.000 -15.045 1.00 0.00 N ATOM 0 H GLN A 102 -24.022 5.379 -16.096 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.371 4.454 -13.760 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -23.113 7.256 -14.728 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -22.358 6.928 -13.181 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.460 5.759 -14.403 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -21.198 6.217 -15.925 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.606 7.177 -15.303 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.698 8.912 -14.987 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.396 4.453 -12.285 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.623 4.423 -11.445 1.00 0.00 C ATOM 1026 C LEU A 103 -25.477 5.410 -10.284 1.00 0.00 C ATOM 1027 O LEU A 103 -24.550 5.332 -9.504 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.815 3.012 -10.892 1.00 0.00 C ATOM 1029 CG LEU A 103 -26.551 2.153 -11.922 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -26.605 0.704 -11.432 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.975 2.682 -12.105 1.00 0.00 C ATOM 0 H LEU A 103 -23.622 3.883 -11.944 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.486 4.704 -12.048 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -24.848 2.568 -10.658 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -26.383 3.049 -9.962 1.00 0.00 H new ATOM 0 HG LEU A 103 -26.023 2.196 -12.874 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -27.129 0.091 -12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -25.591 0.326 -11.302 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.133 0.661 -10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.499 2.070 -12.839 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -28.504 2.640 -11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.938 3.714 -12.454 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.390 6.336 -10.160 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.305 7.323 -9.047 1.00 0.00 C ATOM 1045 C LYS A 104 -27.553 7.205 -8.169 1.00 0.00 C ATOM 1046 O LYS A 104 -28.663 7.392 -8.625 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.219 8.738 -9.624 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.996 9.739 -8.487 1.00 0.00 C ATOM 1049 CD LYS A 104 -26.083 11.164 -9.038 1.00 0.00 C ATOM 1050 CE LYS A 104 -25.691 12.158 -7.943 1.00 0.00 C ATOM 1051 NZ LYS A 104 -24.218 12.100 -7.722 1.00 0.00 N ATOM 0 H LYS A 104 -27.190 6.451 -10.782 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.417 7.122 -8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -25.402 8.800 -10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -27.136 8.980 -10.161 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -26.744 9.593 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -25.021 9.574 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.422 11.274 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -27.095 11.370 -9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -25.987 13.167 -8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -26.218 11.923 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -23.908 12.957 -7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -23.985 11.262 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -23.731 12.040 -8.639 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.381 6.891 -6.914 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.560 6.758 -6.012 1.00 0.00 C ATOM 1067 C VAL A 105 -28.562 7.899 -4.993 1.00 0.00 C ATOM 1068 O VAL A 105 -27.525 8.403 -4.607 1.00 0.00 O ATOM 1069 CB VAL A 105 -28.486 5.419 -5.275 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.765 5.216 -4.458 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -28.344 4.284 -6.291 1.00 0.00 C ATOM 0 H VAL A 105 -26.476 6.721 -6.475 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.474 6.802 -6.604 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.624 5.418 -4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -29.714 4.262 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.866 6.024 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -30.627 5.216 -5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -28.291 3.330 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -29.206 4.284 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -27.434 4.429 -6.873 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.721 8.310 -4.554 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.794 9.416 -3.558 1.00 0.00 C ATOM 1083 C ASN A 106 -30.869 9.090 -2.519 1.00 0.00 C ATOM 1084 O ASN A 106 -31.562 8.097 -2.618 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.153 10.722 -4.270 1.00 0.00 C ATOM 1086 CG ASN A 106 -29.044 11.085 -5.259 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -27.883 10.820 -5.013 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -29.353 11.685 -6.376 1.00 0.00 N ATOM 0 H ASN A 106 -30.621 7.927 -4.843 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.829 9.527 -3.064 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -31.102 10.613 -4.795 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.282 11.522 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -28.621 11.931 -7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -30.327 11.908 -6.583 1.00 0.00 H new ATOM 1095 N ILE A 107 -31.014 9.918 -1.520 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.045 9.650 -0.477 1.00 0.00 C ATOM 1097 C ILE A 107 -33.069 10.787 -0.464 1.00 0.00 C ATOM 1098 O ILE A 107 -32.721 11.948 -0.393 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.371 9.555 0.893 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.305 8.458 0.864 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.420 9.217 1.955 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.663 8.332 2.246 1.00 0.00 C ATOM 0 H ILE A 107 -30.465 10.766 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.550 8.710 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 107 -30.903 10.510 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.753 7.508 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.545 8.694 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -31.940 9.149 2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.180 9.998 1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -32.888 8.263 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -28.904 7.550 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.200 9.280 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.427 8.076 2.980 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.330 10.460 -0.532 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.377 11.520 -0.522 1.00 0.00 C ATOM 1116 C ALA A 108 -36.138 11.471 0.805 1.00 0.00 C ATOM 1117 O ALA A 108 -36.281 10.428 1.410 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.351 11.287 -1.678 1.00 0.00 C ATOM 0 H ALA A 108 -34.681 9.504 -0.594 1.00 0.00 H new ATOM 0 HA ALA A 108 -34.907 12.497 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.117 12.063 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -35.809 11.321 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -36.822 10.311 -1.565 1.00 0.00 H new ATOM 1124 N ARG A 109 -36.626 12.591 1.262 1.00 0.00 N ATOM 1125 CA ARG A 109 -37.376 12.605 2.550 1.00 0.00 C ATOM 1126 C ARG A 109 -38.799 13.115 2.308 1.00 0.00 C ATOM 1127 O ARG A 109 -39.020 14.021 1.528 1.00 0.00 O ATOM 1128 CB ARG A 109 -36.666 13.525 3.544 1.00 0.00 C ATOM 1129 CG ARG A 109 -35.293 12.943 3.888 1.00 0.00 C ATOM 1130 CD ARG A 109 -34.629 13.805 4.965 1.00 0.00 C ATOM 1131 NE ARG A 109 -34.524 15.210 4.480 1.00 0.00 N ATOM 1132 CZ ARG A 109 -33.953 15.466 3.335 1.00 0.00 C ATOM 1133 NH1 ARG A 109 -34.638 16.022 2.375 1.00 0.00 N ATOM 1134 NH2 ARG A 109 -32.697 15.164 3.151 1.00 0.00 N ATOM 0 H ARG A 109 -36.538 13.496 0.800 1.00 0.00 H new ATOM 0 HA ARG A 109 -37.417 11.594 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -36.554 14.522 3.117 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -37.265 13.631 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -35.399 11.918 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -34.667 12.909 2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -35.212 13.769 5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -33.639 13.415 5.199 1.00 0.00 H new ATOM 0 HE ARG A 109 -34.899 15.973 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -35.620 16.257 2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -34.192 16.222 1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -32.162 14.728 3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -32.250 15.364 2.256 1.00 0.00 H new ATOM 1148 N LYS A 110 -39.765 12.543 2.973 1.00 0.00 N ATOM 1149 CA LYS A 110 -41.172 12.996 2.784 1.00 0.00 C ATOM 1150 C LYS A 110 -41.784 13.331 4.145 1.00 0.00 C ATOM 1151 O LYS A 110 -41.477 12.711 5.144 1.00 0.00 O ATOM 1152 CB LYS A 110 -41.982 11.882 2.120 1.00 0.00 C ATOM 1153 CG LYS A 110 -41.407 11.590 0.732 1.00 0.00 C ATOM 1154 CD LYS A 110 -42.297 10.572 0.016 1.00 0.00 C ATOM 1155 CE LYS A 110 -41.656 10.186 -1.318 1.00 0.00 C ATOM 1156 NZ LYS A 110 -41.704 11.350 -2.247 1.00 0.00 N ATOM 0 H LYS A 110 -39.641 11.781 3.640 1.00 0.00 H new ATOM 0 HA LYS A 110 -41.188 13.882 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -41.953 10.982 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -43.028 12.178 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -41.347 12.510 0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -40.392 11.203 0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -42.429 9.687 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -43.288 10.994 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -40.623 9.875 -1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -42.182 9.337 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -41.493 11.031 -3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -42.653 11.775 -2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -41.000 12.057 -1.954 1.00 0.00 H new ATOM 1170 N GLN A 111 -42.648 14.307 4.196 1.00 0.00 N ATOM 1171 CA GLN A 111 -43.277 14.679 5.494 1.00 0.00 C ATOM 1172 C GLN A 111 -44.799 14.598 5.366 1.00 0.00 C ATOM 1173 O GLN A 111 -45.342 14.617 4.279 1.00 0.00 O ATOM 1174 CB GLN A 111 -42.872 16.106 5.867 1.00 0.00 C ATOM 1175 CG GLN A 111 -41.925 16.070 7.068 1.00 0.00 C ATOM 1176 CD GLN A 111 -42.259 17.222 8.017 1.00 0.00 C ATOM 1177 OE1 GLN A 111 -43.399 17.630 8.117 1.00 0.00 O ATOM 1178 NE2 GLN A 111 -41.306 17.768 8.722 1.00 0.00 N ATOM 0 H GLN A 111 -42.946 14.863 3.394 1.00 0.00 H new ATOM 0 HA GLN A 111 -42.941 13.991 6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -42.385 16.590 5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -43.757 16.696 6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -42.018 15.117 7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -40.891 16.150 6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -40.349 17.425 8.638 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -41.518 18.537 9.357 1.00 0.00 H new ATOM 1187 N PRO A 112 -45.499 14.506 6.507 1.00 0.00 N ATOM 1188 CA PRO A 112 -46.964 14.423 6.535 1.00 0.00 C ATOM 1189 C PRO A 112 -47.617 15.742 6.114 1.00 0.00 C ATOM 1190 O PRO A 112 -47.109 16.812 6.384 1.00 0.00 O ATOM 1191 CB PRO A 112 -47.277 14.131 8.003 1.00 0.00 C ATOM 1192 CG PRO A 112 -46.106 14.673 8.752 1.00 0.00 C ATOM 1193 CD PRO A 112 -44.914 14.478 7.860 1.00 0.00 C ATOM 0 HA PRO A 112 -47.344 13.670 5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -48.204 14.613 8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -47.399 13.062 8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -46.248 15.728 8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -45.973 14.150 9.699 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -44.175 15.268 7.996 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -44.410 13.533 8.062 1.00 0.00 H new ATOM 1201 N MET A 113 -48.739 15.673 5.451 1.00 0.00 N ATOM 1202 CA MET A 113 -49.423 16.922 5.011 1.00 0.00 C ATOM 1203 C MET A 113 -50.928 16.669 4.906 1.00 0.00 C ATOM 1204 O MET A 113 -51.733 17.451 5.373 1.00 0.00 O ATOM 1205 CB MET A 113 -48.880 17.348 3.646 1.00 0.00 C ATOM 1206 CG MET A 113 -47.398 17.708 3.777 1.00 0.00 C ATOM 1207 SD MET A 113 -46.797 18.371 2.204 1.00 0.00 S ATOM 1208 CE MET A 113 -47.164 16.918 1.189 1.00 0.00 C ATOM 0 H MET A 113 -49.211 14.806 5.195 1.00 0.00 H new ATOM 0 HA MET A 113 -49.238 17.713 5.738 1.00 0.00 H new ATOM 0 HB2 MET A 113 -49.007 16.541 2.924 1.00 0.00 H new ATOM 0 HB3 MET A 113 -49.441 18.203 3.270 1.00 0.00 H new ATOM 0 HG2 MET A 113 -47.260 18.443 4.570 1.00 0.00 H new ATOM 0 HG3 MET A 113 -46.822 16.826 4.056 1.00 0.00 H new ATOM 0 HE1 MET A 113 -46.449 16.857 0.368 1.00 0.00 H new ATOM 0 HE2 MET A 113 -47.091 16.019 1.801 1.00 0.00 H new ATOM 0 HE3 MET A 113 -48.173 17.001 0.786 1.00 0.00 H new TER 1218 MET A 113