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 43 TYR OH : rot 96:sc= 1.1 USER MOD Set 1.2: A 75 CYS SG : rot 72:sc= -0.718! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -4.6! C(o=-4.6!,f=-4.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.59! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -155:sc= -0.337 (180deg=-1.77!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00878 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 59 SER OG : rot 53:sc= 0.954 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 -119:sc= -0.43 (180deg=-2.41) USER MOD Single : A 74 ASN : amide:sc= -0.0359 K(o=-0.036,f=-1.6!) USER MOD Single : A 79 THR OG1 : rot 87:sc=-0.00512! USER MOD Single : A 80 TYR OH : rot -14:sc= -3.57! USER MOD Single : A 82 LYS NZ :NH3+ 147:sc= -0.193 (180deg=-1.03) USER MOD Single : A 83 MET CE :methyl 150:sc= -0.198 (180deg=-1.28) USER MOD Single : A 85 SER OG : rot 180:sc= -0.012 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 94 ASN : amide:sc= -0.0822 K(o=-0.082,f=-2.6!) USER MOD Single : A 96 THR OG1 : rot -100:sc= 0.447 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 100 SER OG : rot -56:sc= 0.0965 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= -0.171 (180deg=-0.782) USER MOD Single : A 106 ASN : amide:sc= -1.76 K(o=-1.8,f=-2.9!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.072) USER MOD Single : A 113 MET CE :methyl 137:sc= -0.176 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 35 -50.199 -2.286 11.193 1.00 0.00 N ATOM 2 CA ALA A 35 -48.710 -2.289 11.250 1.00 0.00 C ATOM 3 C ALA A 35 -48.151 -1.551 10.032 1.00 0.00 C ATOM 4 O ALA A 35 -47.467 -2.124 9.208 1.00 0.00 O ATOM 5 CB ALA A 35 -48.202 -3.733 11.249 1.00 0.00 C ATOM 0 HA ALA A 35 -48.381 -1.789 12.161 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -47.113 -3.736 11.291 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -48.600 -4.259 12.117 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -48.531 -4.234 10.339 1.00 0.00 H new ATOM 11 N PRO A 36 -48.453 -0.249 9.923 1.00 0.00 N ATOM 12 CA PRO A 36 -47.985 0.583 8.806 1.00 0.00 C ATOM 13 C PRO A 36 -46.475 0.825 8.872 1.00 0.00 C ATOM 14 O PRO A 36 -45.897 0.919 9.937 1.00 0.00 O ATOM 15 CB PRO A 36 -48.736 1.901 9.004 1.00 0.00 C ATOM 16 CG PRO A 36 -49.047 1.940 10.462 1.00 0.00 C ATOM 17 CD PRO A 36 -49.274 0.514 10.879 1.00 0.00 C ATOM 0 HA PRO A 36 -48.168 0.113 7.840 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -48.126 2.754 8.706 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -49.645 1.934 8.404 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -48.225 2.384 11.024 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -49.931 2.548 10.656 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -48.960 0.340 11.908 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -50.327 0.238 10.816 1.00 0.00 H new ATOM 25 N ARG A 37 -45.830 0.927 7.742 1.00 0.00 N ATOM 26 CA ARG A 37 -44.359 1.162 7.743 1.00 0.00 C ATOM 27 C ARG A 37 -44.049 2.455 6.985 1.00 0.00 C ATOM 28 O ARG A 37 -44.601 2.718 5.935 1.00 0.00 O ATOM 29 CB ARG A 37 -43.656 -0.012 7.058 1.00 0.00 C ATOM 30 CG ARG A 37 -43.887 -1.288 7.870 1.00 0.00 C ATOM 31 CD ARG A 37 -43.106 -2.443 7.240 1.00 0.00 C ATOM 32 NE ARG A 37 -43.530 -2.614 5.822 1.00 0.00 N ATOM 33 CZ ARG A 37 -44.535 -3.394 5.531 1.00 0.00 C ATOM 34 NH1 ARG A 37 -45.353 -3.782 6.471 1.00 0.00 N ATOM 35 NH2 ARG A 37 -44.723 -3.784 4.300 1.00 0.00 N ATOM 0 H ARG A 37 -46.258 0.858 6.819 1.00 0.00 H new ATOM 0 HA ARG A 37 -44.005 1.249 8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -44.039 -0.138 6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -42.588 0.189 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -43.567 -1.138 8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -44.950 -1.526 7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -42.036 -2.242 7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -43.283 -3.363 7.797 1.00 0.00 H new ATOM 0 HE ARG A 37 -43.035 -2.121 5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -45.207 -3.476 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -46.139 -4.392 6.244 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -44.084 -3.479 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -45.508 -4.394 4.072 1.00 0.00 H new ATOM 49 N LYS A 38 -43.171 3.265 7.510 1.00 0.00 N ATOM 50 CA LYS A 38 -42.826 4.539 6.819 1.00 0.00 C ATOM 51 C LYS A 38 -42.285 4.233 5.421 1.00 0.00 C ATOM 52 O LYS A 38 -42.524 4.963 4.480 1.00 0.00 O ATOM 53 CB LYS A 38 -41.762 5.285 7.627 1.00 0.00 C ATOM 54 CG LYS A 38 -42.334 5.670 8.993 1.00 0.00 C ATOM 55 CD LYS A 38 -41.306 6.499 9.763 1.00 0.00 C ATOM 56 CE LYS A 38 -41.830 6.784 11.172 1.00 0.00 C ATOM 57 NZ LYS A 38 -42.631 8.041 11.159 1.00 0.00 N ATOM 0 H LYS A 38 -42.678 3.100 8.387 1.00 0.00 H new ATOM 0 HA LYS A 38 -43.719 5.159 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -40.880 4.657 7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -41.442 6.178 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -43.254 6.240 8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -42.590 4.773 9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -40.359 5.963 9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -41.113 7.435 9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -42.444 5.953 11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -40.997 6.878 11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -42.988 8.235 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -42.032 8.831 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -43.433 7.935 10.506 1.00 0.00 H new ATOM 71 N GLY A 39 -41.559 3.159 5.278 1.00 0.00 N ATOM 72 CA GLY A 39 -41.004 2.808 3.939 1.00 0.00 C ATOM 73 C GLY A 39 -39.700 3.573 3.710 1.00 0.00 C ATOM 74 O GLY A 39 -39.099 4.086 4.633 1.00 0.00 O ATOM 0 H GLY A 39 -41.326 2.509 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -40.824 1.735 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -41.724 3.055 3.159 1.00 0.00 H new ATOM 78 N ASN A 40 -39.257 3.652 2.484 1.00 0.00 N ATOM 79 CA ASN A 40 -37.991 4.384 2.195 1.00 0.00 C ATOM 80 C ASN A 40 -37.790 4.473 0.681 1.00 0.00 C ATOM 81 O ASN A 40 -37.314 3.550 0.053 1.00 0.00 O ATOM 82 CB ASN A 40 -36.813 3.634 2.822 1.00 0.00 C ATOM 83 CG ASN A 40 -35.578 4.537 2.824 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.641 5.672 2.397 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.450 4.076 3.290 1.00 0.00 N ATOM 0 H ASN A 40 -39.717 3.242 1.671 1.00 0.00 H new ATOM 0 HA ASN A 40 -38.047 5.388 2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -37.059 3.334 3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.609 2.722 2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.620 4.669 3.296 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.398 3.123 3.649 1.00 0.00 H new ATOM 92 N THR A 41 -38.152 5.579 0.089 1.00 0.00 N ATOM 93 CA THR A 41 -37.984 5.726 -1.384 1.00 0.00 C ATOM 94 C THR A 41 -36.572 6.231 -1.692 1.00 0.00 C ATOM 95 O THR A 41 -36.115 7.207 -1.132 1.00 0.00 O ATOM 96 CB THR A 41 -39.011 6.729 -1.917 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.319 6.287 -1.583 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.879 6.837 -3.437 1.00 0.00 C ATOM 0 H THR A 41 -38.557 6.387 0.562 1.00 0.00 H new ATOM 0 HA THR A 41 -38.136 4.759 -1.864 1.00 0.00 H new ATOM 0 HB THR A 41 -38.832 7.706 -1.469 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.978 6.929 -1.922 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.610 7.551 -3.816 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.875 7.176 -3.692 1.00 0.00 H new ATOM 0 HG23 THR A 41 -39.058 5.861 -3.888 1.00 0.00 H new ATOM 106 N LEU A 42 -35.879 5.572 -2.581 1.00 0.00 N ATOM 107 CA LEU A 42 -34.499 6.013 -2.928 1.00 0.00 C ATOM 108 C LEU A 42 -34.519 6.718 -4.286 1.00 0.00 C ATOM 109 O LEU A 42 -35.396 6.496 -5.097 1.00 0.00 O ATOM 110 CB LEU A 42 -33.577 4.794 -2.998 1.00 0.00 C ATOM 111 CG LEU A 42 -33.592 4.064 -1.653 1.00 0.00 C ATOM 112 CD1 LEU A 42 -34.751 3.067 -1.627 1.00 0.00 C ATOM 113 CD2 LEU A 42 -32.271 3.316 -1.465 1.00 0.00 C ATOM 0 H LEU A 42 -36.210 4.747 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.132 6.701 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.904 4.123 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.562 5.106 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 42 -33.718 4.788 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -34.762 2.547 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -35.692 3.600 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -34.626 2.343 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -32.281 2.796 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.145 2.592 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -31.445 4.027 -1.484 1.00 0.00 H new ATOM 125 N TYR A 43 -33.561 7.566 -4.541 1.00 0.00 N ATOM 126 CA TYR A 43 -33.529 8.284 -5.847 1.00 0.00 C ATOM 127 C TYR A 43 -32.375 7.747 -6.696 1.00 0.00 C ATOM 128 O TYR A 43 -31.218 7.898 -6.357 1.00 0.00 O ATOM 129 CB TYR A 43 -33.330 9.779 -5.599 1.00 0.00 C ATOM 130 CG TYR A 43 -33.280 10.508 -6.921 1.00 0.00 C ATOM 131 CD1 TYR A 43 -32.056 10.684 -7.578 1.00 0.00 C ATOM 132 CD2 TYR A 43 -34.457 11.011 -7.487 1.00 0.00 C ATOM 133 CE1 TYR A 43 -32.010 11.361 -8.802 1.00 0.00 C ATOM 134 CE2 TYR A 43 -34.411 11.688 -8.712 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.187 11.863 -9.369 1.00 0.00 C ATOM 136 OH TYR A 43 -33.141 12.530 -10.577 1.00 0.00 O ATOM 0 H TYR A 43 -32.799 7.793 -3.902 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.470 8.125 -6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.144 10.168 -4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.407 9.946 -5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -31.148 10.297 -7.140 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -35.401 10.877 -6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -31.066 11.496 -9.309 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -35.319 12.075 -9.150 1.00 0.00 H new ATOM 0 HH TYR A 43 -33.352 11.907 -11.303 1.00 0.00 H new ATOM 146 N VAL A 44 -32.679 7.120 -7.800 1.00 0.00 N ATOM 147 CA VAL A 44 -31.598 6.575 -8.668 1.00 0.00 C ATOM 148 C VAL A 44 -31.542 7.370 -9.974 1.00 0.00 C ATOM 149 O VAL A 44 -32.557 7.721 -10.542 1.00 0.00 O ATOM 150 CB VAL A 44 -31.887 5.104 -8.980 1.00 0.00 C ATOM 151 CG1 VAL A 44 -30.718 4.511 -9.768 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.066 4.331 -7.672 1.00 0.00 C ATOM 0 H VAL A 44 -33.628 6.962 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.642 6.657 -8.151 1.00 0.00 H new ATOM 0 HB VAL A 44 -32.799 5.030 -9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -30.923 3.464 -9.990 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.591 5.062 -10.700 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -29.806 4.584 -9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.272 3.284 -7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.155 4.404 -7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -32.899 4.754 -7.111 1.00 0.00 H new ATOM 162 N TYR A 45 -30.363 7.656 -10.456 1.00 0.00 N ATOM 163 CA TYR A 45 -30.244 8.427 -11.725 1.00 0.00 C ATOM 164 C TYR A 45 -29.309 7.689 -12.683 1.00 0.00 C ATOM 165 O TYR A 45 -28.288 7.162 -12.288 1.00 0.00 O ATOM 166 CB TYR A 45 -29.675 9.815 -11.427 1.00 0.00 C ATOM 167 CG TYR A 45 -29.621 10.621 -12.703 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.744 11.342 -13.124 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.447 10.646 -13.466 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.694 12.089 -14.308 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.397 11.392 -14.649 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.521 12.114 -15.070 1.00 0.00 C ATOM 173 OH TYR A 45 -29.472 12.849 -16.237 1.00 0.00 O ATOM 0 H TYR A 45 -29.478 7.389 -10.026 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.228 8.528 -12.182 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.295 10.323 -10.689 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.677 9.726 -10.998 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.650 11.323 -12.536 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.580 10.090 -13.141 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.561 12.646 -14.633 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.492 11.411 -15.237 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.585 12.759 -16.643 1.00 0.00 H new ATOM 183 N GLY A 46 -29.648 7.646 -13.943 1.00 0.00 N ATOM 184 CA GLY A 46 -28.777 6.940 -14.925 1.00 0.00 C ATOM 185 C GLY A 46 -29.389 7.052 -16.322 1.00 0.00 C ATOM 186 O GLY A 46 -30.436 7.638 -16.507 1.00 0.00 O ATOM 0 H GLY A 46 -30.490 8.069 -14.334 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.777 7.374 -14.918 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.671 5.892 -14.646 1.00 0.00 H new ATOM 190 N GLU A 47 -28.743 6.492 -17.309 1.00 0.00 N ATOM 191 CA GLU A 47 -29.288 6.564 -18.694 1.00 0.00 C ATOM 192 C GLU A 47 -29.579 5.151 -19.199 1.00 0.00 C ATOM 193 O GLU A 47 -28.968 4.191 -18.773 1.00 0.00 O ATOM 194 CB GLU A 47 -28.263 7.235 -19.610 1.00 0.00 C ATOM 195 CG GLU A 47 -27.964 8.645 -19.098 1.00 0.00 C ATOM 196 CD GLU A 47 -26.975 9.332 -20.042 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.434 8.652 -20.899 1.00 0.00 O ATOM 198 OE2 GLU A 47 -26.775 10.526 -19.891 1.00 0.00 O ATOM 0 H GLU A 47 -27.861 5.988 -17.215 1.00 0.00 H new ATOM 0 HA GLU A 47 -30.210 7.146 -18.694 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -27.346 6.646 -19.640 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -28.646 7.281 -20.629 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -28.886 9.224 -19.036 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.549 8.597 -18.091 1.00 0.00 H new ATOM 205 N ASP A 48 -30.509 5.013 -20.104 1.00 0.00 N ATOM 206 CA ASP A 48 -30.838 3.659 -20.633 1.00 0.00 C ATOM 207 C ASP A 48 -30.955 2.673 -19.469 1.00 0.00 C ATOM 208 O ASP A 48 -30.302 1.650 -19.441 1.00 0.00 O ATOM 209 CB ASP A 48 -29.728 3.199 -21.581 1.00 0.00 C ATOM 210 CG ASP A 48 -29.631 4.168 -22.761 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.585 4.893 -22.987 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.603 4.167 -23.419 1.00 0.00 O ATOM 0 H ASP A 48 -31.055 5.778 -20.500 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.784 3.699 -21.173 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.776 3.158 -21.051 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.936 2.191 -21.940 1.00 0.00 H new ATOM 217 N MET A 49 -31.783 2.974 -18.506 1.00 0.00 N ATOM 218 CA MET A 49 -31.941 2.056 -17.345 1.00 0.00 C ATOM 219 C MET A 49 -33.203 1.210 -17.530 1.00 0.00 C ATOM 220 O MET A 49 -34.244 1.707 -17.911 1.00 0.00 O ATOM 221 CB MET A 49 -32.062 2.876 -16.058 1.00 0.00 C ATOM 222 CG MET A 49 -30.762 3.646 -15.820 1.00 0.00 C ATOM 223 SD MET A 49 -30.824 4.445 -14.197 1.00 0.00 S ATOM 224 CE MET A 49 -32.352 5.378 -14.460 1.00 0.00 C ATOM 0 H MET A 49 -32.357 3.817 -18.474 1.00 0.00 H new ATOM 0 HA MET A 49 -31.071 1.402 -17.279 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.899 3.570 -16.133 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.268 2.219 -15.213 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.910 2.968 -15.871 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.621 4.394 -16.600 1.00 0.00 H new ATOM 0 HE1 MET A 49 -32.361 6.253 -13.809 1.00 0.00 H new ATOM 0 HE2 MET A 49 -32.408 5.699 -15.500 1.00 0.00 H new ATOM 0 HE3 MET A 49 -33.209 4.745 -14.229 1.00 0.00 H new ATOM 234 N THR A 50 -33.120 -0.065 -17.263 1.00 0.00 N ATOM 235 CA THR A 50 -34.316 -0.938 -17.425 1.00 0.00 C ATOM 236 C THR A 50 -34.794 -1.412 -16.051 1.00 0.00 C ATOM 237 O THR A 50 -34.098 -1.286 -15.063 1.00 0.00 O ATOM 238 CB THR A 50 -33.951 -2.150 -18.286 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.537 -2.254 -18.378 1.00 0.00 O ATOM 240 CG2 THR A 50 -34.544 -1.980 -19.686 1.00 0.00 C ATOM 0 H THR A 50 -32.276 -0.539 -16.940 1.00 0.00 H new ATOM 0 HA THR A 50 -35.113 -0.375 -17.911 1.00 0.00 H new ATOM 0 HB THR A 50 -34.354 -3.055 -17.831 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.301 -3.030 -18.927 1.00 0.00 H new ATOM 0 HG21 THR A 50 -34.284 -2.843 -20.299 1.00 0.00 H new ATOM 0 HG22 THR A 50 -35.629 -1.900 -19.614 1.00 0.00 H new ATOM 0 HG23 THR A 50 -34.143 -1.076 -20.144 1.00 0.00 H new ATOM 248 N PRO A 51 -36.016 -1.965 -15.993 1.00 0.00 N ATOM 249 CA PRO A 51 -36.606 -2.460 -14.743 1.00 0.00 C ATOM 250 C PRO A 51 -35.913 -3.732 -14.242 1.00 0.00 C ATOM 251 O PRO A 51 -35.426 -3.786 -13.131 1.00 0.00 O ATOM 252 CB PRO A 51 -38.053 -2.767 -15.128 1.00 0.00 C ATOM 253 CG PRO A 51 -38.010 -3.019 -16.597 1.00 0.00 C ATOM 254 CD PRO A 51 -36.914 -2.149 -17.146 1.00 0.00 C ATOM 0 HA PRO A 51 -36.509 -1.737 -13.933 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.430 -3.636 -14.588 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.712 -1.932 -14.889 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -37.812 -4.070 -16.805 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -38.966 -2.777 -17.060 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.402 -2.626 -17.982 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.301 -1.197 -17.510 1.00 0.00 H new ATOM 262 N THR A 52 -35.866 -4.757 -15.050 1.00 0.00 N ATOM 263 CA THR A 52 -35.205 -6.019 -14.612 1.00 0.00 C ATOM 264 C THR A 52 -33.779 -5.714 -14.154 1.00 0.00 C ATOM 265 O THR A 52 -33.263 -6.328 -13.240 1.00 0.00 O ATOM 266 CB THR A 52 -35.166 -7.008 -15.779 1.00 0.00 C ATOM 267 OG1 THR A 52 -36.025 -6.552 -16.814 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.629 -8.386 -15.300 1.00 0.00 C ATOM 0 H THR A 52 -36.256 -4.775 -15.992 1.00 0.00 H new ATOM 0 HA THR A 52 -35.767 -6.455 -13.786 1.00 0.00 H new ATOM 0 HB THR A 52 -34.147 -7.081 -16.158 1.00 0.00 H new ATOM 0 HG1 THR A 52 -35.999 -7.184 -17.563 1.00 0.00 H new ATOM 0 HG21 THR A 52 -35.601 -9.089 -16.132 1.00 0.00 H new ATOM 0 HG22 THR A 52 -34.969 -8.736 -14.507 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.648 -8.315 -14.919 1.00 0.00 H new ATOM 276 N LEU A 53 -33.137 -4.768 -14.781 1.00 0.00 N ATOM 277 CA LEU A 53 -31.745 -4.419 -14.384 1.00 0.00 C ATOM 278 C LEU A 53 -31.759 -3.754 -13.007 1.00 0.00 C ATOM 279 O LEU A 53 -31.023 -4.132 -12.117 1.00 0.00 O ATOM 280 CB LEU A 53 -31.148 -3.453 -15.410 1.00 0.00 C ATOM 281 CG LEU A 53 -29.656 -3.267 -15.129 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.913 -4.570 -15.430 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.106 -2.149 -16.017 1.00 0.00 C ATOM 0 H LEU A 53 -33.517 -4.220 -15.553 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.141 -5.326 -14.344 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.293 -3.841 -16.418 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.660 -2.492 -15.362 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.514 -3.002 -14.081 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.850 -4.437 -15.230 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.305 -5.367 -14.798 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.054 -4.836 -16.478 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.043 -2.016 -15.817 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.248 -2.413 -17.065 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.635 -1.220 -15.802 1.00 0.00 H new ATOM 295 N LEU A 54 -32.590 -2.766 -12.822 1.00 0.00 N ATOM 296 CA LEU A 54 -32.650 -2.077 -11.503 1.00 0.00 C ATOM 297 C LEU A 54 -33.069 -3.078 -10.424 1.00 0.00 C ATOM 298 O LEU A 54 -32.533 -3.089 -9.333 1.00 0.00 O ATOM 299 CB LEU A 54 -33.669 -0.938 -11.567 1.00 0.00 C ATOM 300 CG LEU A 54 -33.062 0.245 -12.325 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.078 0.776 -13.338 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.701 1.355 -11.336 1.00 0.00 C ATOM 0 H LEU A 54 -33.231 -2.406 -13.529 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.668 -1.671 -11.260 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.578 -1.276 -12.065 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.953 -0.632 -10.560 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.163 -0.082 -12.848 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.647 1.619 -13.878 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.335 -0.014 -14.043 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.977 1.102 -12.815 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -32.269 2.197 -11.876 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.599 1.682 -10.813 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.977 0.977 -10.614 1.00 0.00 H new ATOM 314 N ARG A 55 -34.021 -3.920 -10.719 1.00 0.00 N ATOM 315 CA ARG A 55 -34.468 -4.918 -9.708 1.00 0.00 C ATOM 316 C ARG A 55 -33.274 -5.770 -9.279 1.00 0.00 C ATOM 317 O ARG A 55 -33.139 -6.136 -8.128 1.00 0.00 O ATOM 318 CB ARG A 55 -35.548 -5.815 -10.314 1.00 0.00 C ATOM 319 CG ARG A 55 -36.838 -5.012 -10.487 1.00 0.00 C ATOM 320 CD ARG A 55 -37.972 -5.949 -10.905 1.00 0.00 C ATOM 321 NE ARG A 55 -37.549 -6.738 -12.096 1.00 0.00 N ATOM 322 CZ ARG A 55 -38.293 -6.749 -13.168 1.00 0.00 C ATOM 323 NH1 ARG A 55 -38.821 -5.639 -13.610 1.00 0.00 N ATOM 324 NH2 ARG A 55 -38.507 -7.870 -13.802 1.00 0.00 N ATOM 0 H ARG A 55 -34.508 -3.960 -11.615 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.878 -4.400 -8.841 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -35.216 -6.202 -11.277 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.726 -6.675 -9.669 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -37.093 -4.509 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.697 -4.236 -11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -38.227 -6.618 -10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -38.868 -5.373 -11.136 1.00 0.00 H new ATOM 0 HE ARG A 55 -36.679 -7.269 -12.073 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -38.652 -4.762 -13.117 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -39.402 -5.649 -14.448 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -38.093 -8.737 -13.459 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -39.089 -7.879 -14.640 1.00 0.00 H new ATOM 338 N GLY A 56 -32.398 -6.086 -10.195 1.00 0.00 N ATOM 339 CA GLY A 56 -31.210 -6.908 -9.838 1.00 0.00 C ATOM 340 C GLY A 56 -30.206 -6.037 -9.080 1.00 0.00 C ATOM 341 O GLY A 56 -29.428 -6.517 -8.281 1.00 0.00 O ATOM 0 H GLY A 56 -32.456 -5.809 -11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.511 -7.756 -9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.750 -7.315 -10.739 1.00 0.00 H new ATOM 345 N ALA A 57 -30.220 -4.753 -9.325 1.00 0.00 N ATOM 346 CA ALA A 57 -29.270 -3.848 -8.619 1.00 0.00 C ATOM 347 C ALA A 57 -29.804 -3.540 -7.219 1.00 0.00 C ATOM 348 O ALA A 57 -29.101 -3.018 -6.377 1.00 0.00 O ATOM 349 CB ALA A 57 -29.127 -2.545 -9.409 1.00 0.00 C ATOM 0 H ALA A 57 -30.849 -4.293 -9.984 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.297 -4.333 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.432 -1.882 -8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.747 -2.764 -10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -30.100 -2.060 -9.490 1.00 0.00 H new ATOM 355 N PHE A 58 -31.045 -3.854 -6.966 1.00 0.00 N ATOM 356 CA PHE A 58 -31.627 -3.579 -5.621 1.00 0.00 C ATOM 357 C PHE A 58 -32.311 -4.841 -5.088 1.00 0.00 C ATOM 358 O PHE A 58 -32.834 -4.860 -3.992 1.00 0.00 O ATOM 359 CB PHE A 58 -32.656 -2.453 -5.739 1.00 0.00 C ATOM 360 CG PHE A 58 -31.948 -1.152 -6.035 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.461 -0.898 -7.324 1.00 0.00 C ATOM 362 CD2 PHE A 58 -31.777 -0.201 -5.022 1.00 0.00 C ATOM 363 CE1 PHE A 58 -30.804 0.307 -7.600 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.120 1.005 -5.299 1.00 0.00 C ATOM 365 CZ PHE A 58 -30.633 1.259 -6.587 1.00 0.00 C ATOM 0 H PHE A 58 -31.682 -4.290 -7.633 1.00 0.00 H new ATOM 0 HA PHE A 58 -30.834 -3.282 -4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.369 -2.680 -6.531 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.225 -2.367 -4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.593 -1.632 -8.105 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.151 -0.397 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.429 0.502 -8.594 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -30.989 1.740 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.126 2.189 -6.799 1.00 0.00 H new ATOM 375 N SER A 59 -32.310 -5.897 -5.855 1.00 0.00 N ATOM 376 CA SER A 59 -32.959 -7.158 -5.397 1.00 0.00 C ATOM 377 C SER A 59 -32.191 -7.737 -4.204 1.00 0.00 C ATOM 378 O SER A 59 -32.755 -7.981 -3.156 1.00 0.00 O ATOM 379 CB SER A 59 -32.960 -8.174 -6.542 1.00 0.00 C ATOM 380 OG SER A 59 -34.184 -8.080 -7.256 1.00 0.00 O ATOM 0 H SER A 59 -31.886 -5.941 -6.782 1.00 0.00 H new ATOM 0 HA SER A 59 -33.984 -6.944 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 59 -32.121 -7.985 -7.211 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.833 -9.182 -6.148 1.00 0.00 H new ATOM 0 HG SER A 59 -34.334 -7.150 -7.527 1.00 0.00 H new ATOM 386 N PRO A 60 -30.877 -7.966 -4.370 1.00 0.00 N ATOM 387 CA PRO A 60 -30.032 -8.524 -3.305 1.00 0.00 C ATOM 388 C PRO A 60 -29.858 -7.550 -2.137 1.00 0.00 C ATOM 389 O PRO A 60 -29.551 -7.942 -1.029 1.00 0.00 O ATOM 390 CB PRO A 60 -28.689 -8.757 -3.998 1.00 0.00 C ATOM 391 CG PRO A 60 -28.685 -7.795 -5.138 1.00 0.00 C ATOM 392 CD PRO A 60 -30.110 -7.699 -5.602 1.00 0.00 C ATOM 0 HA PRO A 60 -30.467 -9.425 -2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.855 -8.573 -3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.595 -9.786 -4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.310 -6.821 -4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -28.036 -8.144 -5.941 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.336 -6.715 -6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.331 -8.428 -6.381 1.00 0.00 H new ATOM 400 N PHE A 61 -30.049 -6.281 -2.375 1.00 0.00 N ATOM 401 CA PHE A 61 -29.890 -5.287 -1.275 1.00 0.00 C ATOM 402 C PHE A 61 -31.094 -5.363 -0.334 1.00 0.00 C ATOM 403 O PHE A 61 -31.077 -4.822 0.754 1.00 0.00 O ATOM 404 CB PHE A 61 -29.793 -3.882 -1.870 1.00 0.00 C ATOM 405 CG PHE A 61 -28.398 -3.662 -2.405 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.338 -3.426 -1.520 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.164 -3.695 -3.784 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.045 -3.224 -2.016 1.00 0.00 C ATOM 409 CE2 PHE A 61 -26.871 -3.492 -4.280 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.811 -3.256 -3.396 1.00 0.00 C ATOM 0 H PHE A 61 -30.308 -5.890 -3.281 1.00 0.00 H new ATOM 0 HA PHE A 61 -28.982 -5.509 -0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.525 -3.762 -2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.025 -3.136 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.519 -3.400 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -28.981 -3.877 -4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.227 -3.043 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.691 -3.517 -5.345 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.813 -3.099 -3.779 1.00 0.00 H new ATOM 420 N GLY A 62 -32.141 -6.030 -0.740 1.00 0.00 N ATOM 421 CA GLY A 62 -33.340 -6.137 0.139 1.00 0.00 C ATOM 422 C GLY A 62 -34.592 -6.332 -0.718 1.00 0.00 C ATOM 423 O GLY A 62 -34.525 -6.388 -1.930 1.00 0.00 O ATOM 0 H GLY A 62 -32.217 -6.504 -1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.225 -6.974 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.439 -5.237 0.746 1.00 0.00 H new ATOM 427 N ASN A 63 -35.735 -6.438 -0.097 1.00 0.00 N ATOM 428 CA ASN A 63 -36.992 -6.631 -0.874 1.00 0.00 C ATOM 429 C ASN A 63 -37.643 -5.270 -1.133 1.00 0.00 C ATOM 430 O ASN A 63 -37.826 -4.477 -0.231 1.00 0.00 O ATOM 431 CB ASN A 63 -37.955 -7.511 -0.075 1.00 0.00 C ATOM 432 CG ASN A 63 -37.363 -8.915 0.066 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.452 -9.277 -0.652 1.00 0.00 O ATOM 434 ND2 ASN A 63 -37.844 -9.724 0.969 1.00 0.00 N ATOM 0 H ASN A 63 -35.853 -6.399 0.915 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.762 -7.113 -1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.129 -7.077 0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.921 -7.561 -0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.455 -10.661 1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -38.609 -9.419 1.571 1.00 0.00 H new ATOM 441 N ILE A 64 -37.994 -4.995 -2.359 1.00 0.00 N ATOM 442 CA ILE A 64 -38.633 -3.686 -2.673 1.00 0.00 C ATOM 443 C ILE A 64 -40.151 -3.861 -2.742 1.00 0.00 C ATOM 444 O ILE A 64 -40.657 -4.703 -3.457 1.00 0.00 O ATOM 445 CB ILE A 64 -38.114 -3.178 -4.020 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.592 -3.034 -3.959 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.744 -1.819 -4.329 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.037 -2.882 -5.375 1.00 0.00 C ATOM 0 H ILE A 64 -37.866 -5.619 -3.156 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.388 -2.965 -1.893 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.380 -3.888 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.322 -2.167 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.153 -3.907 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.375 -1.456 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.828 -1.922 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.479 -1.108 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -34.953 -2.779 -5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.295 -3.763 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.467 -1.995 -5.841 1.00 0.00 H new ATOM 460 N ILE A 65 -40.882 -3.073 -2.004 1.00 0.00 N ATOM 461 CA ILE A 65 -42.367 -3.194 -2.025 1.00 0.00 C ATOM 462 C ILE A 65 -42.946 -2.199 -3.032 1.00 0.00 C ATOM 463 O ILE A 65 -44.090 -2.298 -3.431 1.00 0.00 O ATOM 464 CB ILE A 65 -42.924 -2.891 -0.634 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.739 -1.404 -0.323 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.177 -3.726 0.408 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.481 -1.056 0.970 1.00 0.00 C ATOM 0 H ILE A 65 -40.515 -2.349 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.644 -4.208 -2.315 1.00 0.00 H new ATOM 0 HB ILE A 65 -43.985 -3.139 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.679 -1.172 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.119 -0.799 -1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.574 -3.510 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.308 -4.785 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.116 -3.478 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.349 0.003 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.543 -1.272 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -43.080 -1.651 1.791 1.00 0.00 H new ATOM 479 N ASP A 66 -42.167 -1.237 -3.447 1.00 0.00 N ATOM 480 CA ASP A 66 -42.677 -0.237 -4.426 1.00 0.00 C ATOM 481 C ASP A 66 -41.541 0.200 -5.354 1.00 0.00 C ATOM 482 O ASP A 66 -40.661 0.943 -4.967 1.00 0.00 O ATOM 483 CB ASP A 66 -43.218 0.982 -3.675 1.00 0.00 C ATOM 484 CG ASP A 66 -43.836 1.963 -4.673 1.00 0.00 C ATOM 485 OD1 ASP A 66 -43.921 1.617 -5.839 1.00 0.00 O ATOM 486 OD2 ASP A 66 -44.214 3.044 -4.253 1.00 0.00 O ATOM 0 H ASP A 66 -41.201 -1.101 -3.150 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.475 -0.685 -5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -43.965 0.671 -2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -42.414 1.468 -3.122 1.00 0.00 H new ATOM 491 N LEU A 67 -41.554 -0.253 -6.577 1.00 0.00 N ATOM 492 CA LEU A 67 -40.477 0.137 -7.531 1.00 0.00 C ATOM 493 C LEU A 67 -41.074 1.008 -8.637 1.00 0.00 C ATOM 494 O LEU A 67 -41.973 0.599 -9.345 1.00 0.00 O ATOM 495 CB LEU A 67 -39.858 -1.121 -8.147 1.00 0.00 C ATOM 496 CG LEU A 67 -38.644 -0.740 -9.000 1.00 0.00 C ATOM 497 CD1 LEU A 67 -39.117 -0.111 -10.313 1.00 0.00 C ATOM 498 CD2 LEU A 67 -37.773 0.263 -8.238 1.00 0.00 C ATOM 0 H LEU A 67 -42.265 -0.877 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.705 0.696 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.558 -1.812 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.597 -1.638 -8.760 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.060 -1.635 -9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -38.252 0.160 -10.919 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -39.733 -0.826 -10.858 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -39.703 0.782 -10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -36.910 0.532 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -38.356 1.158 -8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -37.432 -0.186 -7.305 1.00 0.00 H new ATOM 510 N SER A 68 -40.586 2.209 -8.791 1.00 0.00 N ATOM 511 CA SER A 68 -41.132 3.103 -9.851 1.00 0.00 C ATOM 512 C SER A 68 -39.993 3.597 -10.745 1.00 0.00 C ATOM 513 O SER A 68 -38.895 3.845 -10.289 1.00 0.00 O ATOM 514 CB SER A 68 -41.824 4.302 -9.198 1.00 0.00 C ATOM 515 OG SER A 68 -42.841 3.842 -8.320 1.00 0.00 O ATOM 0 H SER A 68 -39.834 2.609 -8.230 1.00 0.00 H new ATOM 0 HA SER A 68 -41.851 2.550 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 68 -41.097 4.900 -8.648 1.00 0.00 H new ATOM 0 HB3 SER A 68 -42.254 4.948 -9.963 1.00 0.00 H new ATOM 0 HG SER A 68 -43.283 4.610 -7.901 1.00 0.00 H new ATOM 521 N MET A 69 -40.248 3.744 -12.017 1.00 0.00 N ATOM 522 CA MET A 69 -39.183 4.225 -12.941 1.00 0.00 C ATOM 523 C MET A 69 -39.644 5.520 -13.612 1.00 0.00 C ATOM 524 O MET A 69 -40.824 5.781 -13.734 1.00 0.00 O ATOM 525 CB MET A 69 -38.915 3.163 -14.010 1.00 0.00 C ATOM 526 CG MET A 69 -37.826 3.660 -14.962 1.00 0.00 C ATOM 527 SD MET A 69 -37.702 2.536 -16.375 1.00 0.00 S ATOM 528 CE MET A 69 -36.810 1.208 -15.530 1.00 0.00 C ATOM 0 H MET A 69 -41.148 3.552 -12.456 1.00 0.00 H new ATOM 0 HA MET A 69 -38.268 4.410 -12.379 1.00 0.00 H new ATOM 0 HB2 MET A 69 -38.604 2.230 -13.541 1.00 0.00 H new ATOM 0 HB3 MET A 69 -39.829 2.952 -14.565 1.00 0.00 H new ATOM 0 HG2 MET A 69 -38.060 4.668 -15.305 1.00 0.00 H new ATOM 0 HG3 MET A 69 -36.870 3.714 -14.442 1.00 0.00 H new ATOM 0 HE1 MET A 69 -35.845 1.053 -16.013 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.653 1.481 -14.487 1.00 0.00 H new ATOM 0 HE3 MET A 69 -37.393 0.288 -15.581 1.00 0.00 H new ATOM 538 N ASP A 70 -38.723 6.336 -14.050 1.00 0.00 N ATOM 539 CA ASP A 70 -39.114 7.613 -14.710 1.00 0.00 C ATOM 540 C ASP A 70 -38.300 7.798 -15.992 1.00 0.00 C ATOM 541 O ASP A 70 -37.211 8.336 -15.973 1.00 0.00 O ATOM 542 CB ASP A 70 -38.842 8.781 -13.761 1.00 0.00 C ATOM 543 CG ASP A 70 -40.007 9.772 -13.826 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.613 9.875 -14.880 1.00 0.00 O ATOM 545 OD2 ASP A 70 -40.271 10.410 -12.821 1.00 0.00 O ATOM 0 H ASP A 70 -37.719 6.173 -13.979 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.175 7.583 -14.956 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.719 8.415 -12.742 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -37.912 9.278 -14.036 1.00 0.00 H new ATOM 550 N PRO A 71 -38.847 7.341 -17.127 1.00 0.00 N ATOM 551 CA PRO A 71 -38.179 7.455 -18.424 1.00 0.00 C ATOM 552 C PRO A 71 -38.198 8.885 -19.005 1.00 0.00 C ATOM 553 O PRO A 71 -37.312 9.246 -19.754 1.00 0.00 O ATOM 554 CB PRO A 71 -38.967 6.502 -19.322 1.00 0.00 C ATOM 555 CG PRO A 71 -40.321 6.400 -18.702 1.00 0.00 C ATOM 556 CD PRO A 71 -40.159 6.674 -17.228 1.00 0.00 C ATOM 0 HA PRO A 71 -37.120 7.213 -18.340 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.029 6.884 -20.341 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -38.486 5.526 -19.377 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.006 7.118 -19.154 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -40.745 5.409 -18.865 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -40.960 7.310 -16.851 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.183 5.752 -16.646 1.00 0.00 H new ATOM 564 N PRO A 72 -39.208 9.720 -18.673 1.00 0.00 N ATOM 565 CA PRO A 72 -39.274 11.089 -19.198 1.00 0.00 C ATOM 566 C PRO A 72 -38.278 12.018 -18.499 1.00 0.00 C ATOM 567 O PRO A 72 -37.875 13.030 -19.038 1.00 0.00 O ATOM 568 CB PRO A 72 -40.700 11.533 -18.882 1.00 0.00 C ATOM 569 CG PRO A 72 -41.109 10.711 -17.706 1.00 0.00 C ATOM 570 CD PRO A 72 -40.346 9.416 -17.781 1.00 0.00 C ATOM 0 HA PRO A 72 -39.026 11.125 -20.259 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.740 12.598 -18.652 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.363 11.365 -19.731 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.888 11.234 -16.776 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -42.183 10.526 -17.721 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -40.006 9.096 -16.796 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -40.963 8.612 -18.182 1.00 0.00 H new ATOM 578 N ARG A 73 -37.881 11.686 -17.302 1.00 0.00 N ATOM 579 CA ARG A 73 -36.915 12.553 -16.570 1.00 0.00 C ATOM 580 C ARG A 73 -35.586 11.815 -16.395 1.00 0.00 C ATOM 581 O ARG A 73 -34.645 12.341 -15.835 1.00 0.00 O ATOM 582 CB ARG A 73 -37.490 12.907 -15.197 1.00 0.00 C ATOM 583 CG ARG A 73 -38.807 13.665 -15.376 1.00 0.00 C ATOM 584 CD ARG A 73 -39.346 14.087 -14.008 1.00 0.00 C ATOM 585 NE ARG A 73 -40.731 14.615 -14.161 1.00 0.00 N ATOM 586 CZ ARG A 73 -41.655 14.279 -13.302 1.00 0.00 C ATOM 587 NH1 ARG A 73 -42.423 13.250 -13.539 1.00 0.00 N ATOM 588 NH2 ARG A 73 -41.812 14.971 -12.208 1.00 0.00 N ATOM 0 H ARG A 73 -38.184 10.852 -16.799 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.744 13.466 -17.141 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.656 12.000 -14.616 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -36.779 13.517 -14.640 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -38.651 14.543 -16.003 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -39.535 13.034 -15.886 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -39.343 13.237 -13.326 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -38.701 14.849 -13.570 1.00 0.00 H new ATOM 0 HE ARG A 73 -40.957 15.238 -14.936 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -42.301 12.709 -14.395 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -43.145 12.987 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -41.213 15.775 -12.023 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -42.534 14.708 -11.537 1.00 0.00 H new ATOM 602 N ASN A 74 -35.500 10.601 -16.868 1.00 0.00 N ATOM 603 CA ASN A 74 -34.230 9.834 -16.728 1.00 0.00 C ATOM 604 C ASN A 74 -33.933 9.605 -15.246 1.00 0.00 C ATOM 605 O ASN A 74 -32.814 9.759 -14.796 1.00 0.00 O ATOM 606 CB ASN A 74 -33.082 10.624 -17.361 1.00 0.00 C ATOM 607 CG ASN A 74 -33.374 10.851 -18.844 1.00 0.00 C ATOM 608 OD1 ASN A 74 -34.238 10.210 -19.411 1.00 0.00 O ATOM 609 ND2 ASN A 74 -32.687 11.743 -19.503 1.00 0.00 N ATOM 0 H ASN A 74 -36.255 10.108 -17.345 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.330 8.873 -17.232 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.962 11.581 -16.853 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -32.145 10.080 -17.243 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -32.875 11.902 -20.493 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -31.962 12.281 -19.028 1.00 0.00 H new ATOM 616 N CYS A 75 -34.923 9.237 -14.482 1.00 0.00 N ATOM 617 CA CYS A 75 -34.694 8.997 -13.029 1.00 0.00 C ATOM 618 C CYS A 75 -35.605 7.866 -12.547 1.00 0.00 C ATOM 619 O CYS A 75 -36.637 7.597 -13.129 1.00 0.00 O ATOM 620 CB CYS A 75 -35.008 10.274 -12.246 1.00 0.00 C ATOM 621 SG CYS A 75 -34.247 11.692 -13.073 1.00 0.00 S ATOM 0 H CYS A 75 -35.881 9.092 -14.800 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.653 8.717 -12.867 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -36.087 10.415 -12.178 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -34.632 10.190 -11.226 1.00 0.00 H new ATOM 0 HG CYS A 75 -34.889 11.948 -14.174 1.00 0.00 H new ATOM 627 N ALA A 76 -35.232 7.203 -11.487 1.00 0.00 N ATOM 628 CA ALA A 76 -36.077 6.091 -10.968 1.00 0.00 C ATOM 629 C ALA A 76 -36.105 6.143 -9.439 1.00 0.00 C ATOM 630 O ALA A 76 -35.240 6.721 -8.812 1.00 0.00 O ATOM 631 CB ALA A 76 -35.490 4.751 -11.420 1.00 0.00 C ATOM 0 H ALA A 76 -34.379 7.383 -10.958 1.00 0.00 H new ATOM 0 HA ALA A 76 -37.091 6.194 -11.355 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -36.108 3.937 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.468 4.712 -12.509 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.476 4.648 -11.032 1.00 0.00 H new ATOM 637 N PHE A 77 -37.095 5.544 -8.835 1.00 0.00 N ATOM 638 CA PHE A 77 -37.177 5.560 -7.347 1.00 0.00 C ATOM 639 C PHE A 77 -37.245 4.123 -6.827 1.00 0.00 C ATOM 640 O PHE A 77 -37.918 3.280 -7.387 1.00 0.00 O ATOM 641 CB PHE A 77 -38.434 6.318 -6.914 1.00 0.00 C ATOM 642 CG PHE A 77 -38.351 7.745 -7.397 1.00 0.00 C ATOM 643 CD1 PHE A 77 -37.752 8.723 -6.593 1.00 0.00 C ATOM 644 CD2 PHE A 77 -38.874 8.092 -8.648 1.00 0.00 C ATOM 645 CE1 PHE A 77 -37.676 10.047 -7.042 1.00 0.00 C ATOM 646 CE2 PHE A 77 -38.798 9.416 -9.097 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.198 10.393 -8.294 1.00 0.00 C ATOM 0 H PHE A 77 -37.849 5.045 -9.307 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.296 6.054 -6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.322 5.835 -7.323 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.530 6.295 -5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.349 8.456 -5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.337 7.338 -9.267 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.215 10.802 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.202 9.683 -10.062 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.138 11.414 -8.640 1.00 0.00 H new ATOM 657 N VAL A 78 -36.555 3.834 -5.757 1.00 0.00 N ATOM 658 CA VAL A 78 -36.585 2.451 -5.206 1.00 0.00 C ATOM 659 C VAL A 78 -37.200 2.474 -3.806 1.00 0.00 C ATOM 660 O VAL A 78 -36.905 3.335 -3.002 1.00 0.00 O ATOM 661 CB VAL A 78 -35.158 1.901 -5.128 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.194 0.459 -4.617 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.522 1.935 -6.519 1.00 0.00 C ATOM 0 H VAL A 78 -35.973 4.495 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.184 1.814 -5.856 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.569 2.513 -4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.178 0.067 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.647 0.435 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.783 -0.154 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.506 1.544 -6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.110 1.323 -7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.496 2.962 -6.882 1.00 0.00 H new ATOM 673 N THR A 79 -38.054 1.533 -3.508 1.00 0.00 N ATOM 674 CA THR A 79 -38.687 1.503 -2.159 1.00 0.00 C ATOM 675 C THR A 79 -38.229 0.249 -1.413 1.00 0.00 C ATOM 676 O THR A 79 -38.316 -0.853 -1.918 1.00 0.00 O ATOM 677 CB THR A 79 -40.210 1.481 -2.309 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.625 2.603 -3.074 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.862 1.534 -0.927 1.00 0.00 C ATOM 0 H THR A 79 -38.340 0.785 -4.139 1.00 0.00 H new ATOM 0 HA THR A 79 -38.392 2.390 -1.598 1.00 0.00 H new ATOM 0 HB THR A 79 -40.512 0.564 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.593 2.379 -4.027 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.946 1.518 -1.035 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.543 0.672 -0.341 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.562 2.450 -0.418 1.00 0.00 H new ATOM 687 N TYR A 80 -37.738 0.406 -0.214 1.00 0.00 N ATOM 688 CA TYR A 80 -37.271 -0.778 0.561 1.00 0.00 C ATOM 689 C TYR A 80 -38.147 -0.954 1.803 1.00 0.00 C ATOM 690 O TYR A 80 -38.465 -0.004 2.490 1.00 0.00 O ATOM 691 CB TYR A 80 -35.818 -0.566 0.989 1.00 0.00 C ATOM 692 CG TYR A 80 -34.894 -1.147 -0.054 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.055 -2.473 -0.474 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.876 -0.358 -0.603 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.196 -3.010 -1.441 1.00 0.00 C ATOM 696 CE2 TYR A 80 -33.018 -0.895 -1.570 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.177 -2.221 -1.988 1.00 0.00 C ATOM 698 OH TYR A 80 -32.331 -2.752 -2.941 1.00 0.00 O ATOM 0 H TYR A 80 -37.640 1.303 0.262 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.341 -1.670 -0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.617 0.498 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.639 -1.041 1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -35.841 -3.081 -0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.753 0.665 -0.280 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.320 -4.033 -1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.233 -0.286 -1.994 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.427 -3.727 -2.957 1.00 0.00 H new ATOM 708 N GLU A 81 -38.538 -2.164 2.098 1.00 0.00 N ATOM 709 CA GLU A 81 -39.391 -2.400 3.295 1.00 0.00 C ATOM 710 C GLU A 81 -38.617 -2.006 4.555 1.00 0.00 C ATOM 711 O GLU A 81 -39.188 -1.579 5.539 1.00 0.00 O ATOM 712 CB GLU A 81 -39.766 -3.882 3.369 1.00 0.00 C ATOM 713 CG GLU A 81 -40.757 -4.102 4.514 1.00 0.00 C ATOM 714 CD GLU A 81 -41.041 -5.598 4.662 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.461 -6.367 3.915 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.832 -5.948 5.522 1.00 0.00 O ATOM 0 H GLU A 81 -38.303 -2.999 1.561 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.298 -1.799 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -40.207 -4.204 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -38.873 -4.487 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.349 -3.705 5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.683 -3.563 4.316 1.00 0.00 H new ATOM 723 N LYS A 82 -37.319 -2.145 4.531 1.00 0.00 N ATOM 724 CA LYS A 82 -36.508 -1.777 5.726 1.00 0.00 C ATOM 725 C LYS A 82 -35.589 -0.603 5.375 1.00 0.00 C ATOM 726 O LYS A 82 -35.060 -0.522 4.285 1.00 0.00 O ATOM 727 CB LYS A 82 -35.659 -2.976 6.156 1.00 0.00 C ATOM 728 CG LYS A 82 -36.576 -4.113 6.611 1.00 0.00 C ATOM 729 CD LYS A 82 -35.728 -5.263 7.157 1.00 0.00 C ATOM 730 CE LYS A 82 -36.638 -6.431 7.543 1.00 0.00 C ATOM 731 NZ LYS A 82 -37.524 -6.772 6.395 1.00 0.00 N ATOM 0 H LYS A 82 -36.786 -2.497 3.736 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.172 -1.490 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -35.034 -3.308 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.989 -2.689 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.262 -3.756 7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -37.185 -4.460 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -35.005 -5.584 6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -35.159 -4.929 8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -36.037 -7.297 7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -37.238 -6.166 8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -37.710 -7.795 6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -38.423 -6.257 6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -37.058 -6.502 5.505 1.00 0.00 H new ATOM 745 N MET A 83 -35.396 0.306 6.291 1.00 0.00 N ATOM 746 CA MET A 83 -34.512 1.471 6.008 1.00 0.00 C ATOM 747 C MET A 83 -33.068 0.991 5.853 1.00 0.00 C ATOM 748 O MET A 83 -32.256 1.629 5.213 1.00 0.00 O ATOM 749 CB MET A 83 -34.596 2.468 7.165 1.00 0.00 C ATOM 750 CG MET A 83 -36.020 3.018 7.263 1.00 0.00 C ATOM 751 SD MET A 83 -36.068 4.353 8.485 1.00 0.00 S ATOM 752 CE MET A 83 -35.118 5.565 7.536 1.00 0.00 C ATOM 0 H MET A 83 -35.812 0.292 7.222 1.00 0.00 H new ATOM 0 HA MET A 83 -34.834 1.955 5.086 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.318 1.981 8.100 1.00 0.00 H new ATOM 0 HB3 MET A 83 -33.890 3.283 7.008 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.346 3.388 6.291 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.709 2.224 7.549 1.00 0.00 H new ATOM 0 HE1 MET A 83 -35.445 6.571 7.800 1.00 0.00 H new ATOM 0 HE2 MET A 83 -34.058 5.456 7.765 1.00 0.00 H new ATOM 0 HE3 MET A 83 -35.278 5.400 6.471 1.00 0.00 H new ATOM 762 N GLU A 84 -32.741 -0.131 6.435 1.00 0.00 N ATOM 763 CA GLU A 84 -31.349 -0.652 6.322 1.00 0.00 C ATOM 764 C GLU A 84 -31.109 -1.164 4.901 1.00 0.00 C ATOM 765 O GLU A 84 -29.993 -1.180 4.418 1.00 0.00 O ATOM 766 CB GLU A 84 -31.153 -1.797 7.317 1.00 0.00 C ATOM 767 CG GLU A 84 -29.689 -2.244 7.297 1.00 0.00 C ATOM 768 CD GLU A 84 -29.517 -3.468 8.198 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.503 -3.896 8.777 1.00 0.00 O ATOM 770 OE2 GLU A 84 -28.403 -3.957 8.295 1.00 0.00 O ATOM 0 H GLU A 84 -33.378 -0.709 6.984 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.642 0.148 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.432 -1.474 8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -31.803 -2.633 7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -29.385 -2.484 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -29.046 -1.434 7.640 1.00 0.00 H new ATOM 777 N SER A 85 -32.145 -1.583 4.227 1.00 0.00 N ATOM 778 CA SER A 85 -31.972 -2.094 2.838 1.00 0.00 C ATOM 779 C SER A 85 -31.642 -0.931 1.902 1.00 0.00 C ATOM 780 O SER A 85 -30.915 -1.082 0.939 1.00 0.00 O ATOM 781 CB SER A 85 -33.267 -2.767 2.377 1.00 0.00 C ATOM 782 OG SER A 85 -33.612 -3.803 3.285 1.00 0.00 O ATOM 0 H SER A 85 -33.103 -1.594 4.578 1.00 0.00 H new ATOM 0 HA SER A 85 -31.158 -2.818 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 85 -34.071 -2.033 2.323 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.140 -3.175 1.374 1.00 0.00 H new ATOM 0 HG SER A 85 -34.442 -4.233 2.991 1.00 0.00 H new ATOM 788 N ALA A 86 -32.170 0.229 2.176 1.00 0.00 N ATOM 789 CA ALA A 86 -31.886 1.403 1.302 1.00 0.00 C ATOM 790 C ALA A 86 -30.469 1.910 1.574 1.00 0.00 C ATOM 791 O ALA A 86 -29.706 2.169 0.664 1.00 0.00 O ATOM 792 CB ALA A 86 -32.893 2.515 1.601 1.00 0.00 C ATOM 0 H ALA A 86 -32.786 0.416 2.967 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.971 1.108 0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.687 3.374 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.903 2.153 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.808 2.811 2.647 1.00 0.00 H new ATOM 798 N ASP A 87 -30.110 2.055 2.820 1.00 0.00 N ATOM 799 CA ASP A 87 -28.742 2.545 3.149 1.00 0.00 C ATOM 800 C ASP A 87 -27.703 1.569 2.597 1.00 0.00 C ATOM 801 O ASP A 87 -26.633 1.959 2.171 1.00 0.00 O ATOM 802 CB ASP A 87 -28.589 2.645 4.668 1.00 0.00 C ATOM 803 CG ASP A 87 -27.266 3.337 5.003 1.00 0.00 C ATOM 804 OD1 ASP A 87 -26.553 3.688 4.078 1.00 0.00 O ATOM 805 OD2 ASP A 87 -26.989 3.503 6.179 1.00 0.00 O ATOM 0 H ASP A 87 -30.705 1.855 3.624 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.591 3.527 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.422 3.205 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -28.614 1.650 5.113 1.00 0.00 H new ATOM 810 N GLN A 88 -28.009 0.302 2.604 1.00 0.00 N ATOM 811 CA GLN A 88 -27.039 -0.702 2.082 1.00 0.00 C ATOM 812 C GLN A 88 -26.918 -0.560 0.565 1.00 0.00 C ATOM 813 O GLN A 88 -25.833 -0.533 0.018 1.00 0.00 O ATOM 814 CB GLN A 88 -27.528 -2.110 2.425 1.00 0.00 C ATOM 815 CG GLN A 88 -26.391 -3.110 2.213 1.00 0.00 C ATOM 816 CD GLN A 88 -26.864 -4.513 2.599 1.00 0.00 C ATOM 817 OE1 GLN A 88 -27.921 -4.673 3.176 1.00 0.00 O ATOM 818 NE2 GLN A 88 -26.120 -5.543 2.302 1.00 0.00 N ATOM 0 H GLN A 88 -28.889 -0.082 2.948 1.00 0.00 H new ATOM 0 HA GLN A 88 -26.064 -0.533 2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.870 -2.146 3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.380 -2.373 1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.071 -3.097 1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.528 -2.828 2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -25.233 -5.408 1.818 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.426 -6.483 2.554 1.00 0.00 H new ATOM 827 N ALA A 89 -28.023 -0.467 -0.118 1.00 0.00 N ATOM 828 CA ALA A 89 -27.972 -0.324 -1.600 1.00 0.00 C ATOM 829 C ALA A 89 -27.281 0.992 -1.956 1.00 0.00 C ATOM 830 O ALA A 89 -26.422 1.043 -2.813 1.00 0.00 O ATOM 831 CB ALA A 89 -29.393 -0.326 -2.165 1.00 0.00 C ATOM 0 H ALA A 89 -28.960 -0.484 0.285 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.414 -1.157 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.354 -0.221 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.885 -1.264 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.955 0.506 -1.740 1.00 0.00 H new ATOM 837 N VAL A 90 -27.647 2.058 -1.299 1.00 0.00 N ATOM 838 CA VAL A 90 -27.008 3.369 -1.596 1.00 0.00 C ATOM 839 C VAL A 90 -25.542 3.324 -1.160 1.00 0.00 C ATOM 840 O VAL A 90 -24.716 4.071 -1.646 1.00 0.00 O ATOM 841 CB VAL A 90 -27.736 4.476 -0.831 1.00 0.00 C ATOM 842 CG1 VAL A 90 -27.027 5.812 -1.069 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.181 4.572 -1.324 1.00 0.00 C ATOM 0 H VAL A 90 -28.360 2.077 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.065 3.572 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.730 4.245 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.545 6.601 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -25.997 5.745 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.033 6.042 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.700 5.361 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.187 4.802 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.687 3.621 -1.155 1.00 0.00 H new ATOM 853 N ALA A 91 -25.214 2.452 -0.246 1.00 0.00 N ATOM 854 CA ALA A 91 -23.804 2.356 0.223 1.00 0.00 C ATOM 855 C ALA A 91 -22.985 1.545 -0.784 1.00 0.00 C ATOM 856 O ALA A 91 -21.776 1.650 -0.843 1.00 0.00 O ATOM 857 CB ALA A 91 -23.766 1.662 1.586 1.00 0.00 C ATOM 0 H ALA A 91 -25.863 1.801 0.196 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.382 3.357 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.734 1.591 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -24.349 2.238 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -24.188 0.661 1.496 1.00 0.00 H new ATOM 863 N GLU A 92 -23.633 0.737 -1.577 1.00 0.00 N ATOM 864 CA GLU A 92 -22.890 -0.080 -2.578 1.00 0.00 C ATOM 865 C GLU A 92 -23.292 0.351 -3.990 1.00 0.00 C ATOM 866 O GLU A 92 -22.456 0.648 -4.820 1.00 0.00 O ATOM 867 CB GLU A 92 -23.227 -1.559 -2.381 1.00 0.00 C ATOM 868 CG GLU A 92 -22.758 -2.010 -0.997 1.00 0.00 C ATOM 869 CD GLU A 92 -22.929 -3.525 -0.869 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.399 -4.131 -1.820 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.588 -4.055 0.176 1.00 0.00 O ATOM 0 H GLU A 92 -24.645 0.607 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.819 0.070 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.301 -1.714 -2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.745 -2.159 -3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -21.713 -1.737 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.333 -1.502 -0.223 1.00 0.00 H new ATOM 878 N LEU A 93 -24.567 0.389 -4.269 1.00 0.00 N ATOM 879 CA LEU A 93 -25.019 0.800 -5.628 1.00 0.00 C ATOM 880 C LEU A 93 -24.511 2.213 -5.927 1.00 0.00 C ATOM 881 O LEU A 93 -24.186 2.541 -7.049 1.00 0.00 O ATOM 882 CB LEU A 93 -26.548 0.788 -5.683 1.00 0.00 C ATOM 883 CG LEU A 93 -27.048 -0.658 -5.656 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.564 -0.670 -5.448 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.710 -1.339 -6.983 1.00 0.00 C ATOM 0 H LEU A 93 -25.314 0.153 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.623 0.105 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.957 1.341 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.894 1.287 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.565 -1.194 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -28.920 -1.700 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -28.805 -0.185 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -29.048 -0.134 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -27.066 -2.369 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -27.193 -0.803 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.630 -1.331 -7.131 1.00 0.00 H new ATOM 897 N ASN A 94 -24.440 3.050 -4.928 1.00 0.00 N ATOM 898 CA ASN A 94 -23.953 4.439 -5.154 1.00 0.00 C ATOM 899 C ASN A 94 -22.458 4.409 -5.468 1.00 0.00 C ATOM 900 O ASN A 94 -21.673 3.826 -4.747 1.00 0.00 O ATOM 901 CB ASN A 94 -24.194 5.273 -3.894 1.00 0.00 C ATOM 902 CG ASN A 94 -24.057 6.759 -4.232 1.00 0.00 C ATOM 903 OD1 ASN A 94 -24.203 7.150 -5.374 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.781 7.609 -3.282 1.00 0.00 N ATOM 0 H ASN A 94 -24.698 2.831 -3.966 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.491 4.882 -5.992 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -25.188 5.070 -3.495 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.478 4.998 -3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -23.688 8.602 -3.497 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -23.659 7.281 -2.324 1.00 0.00 H new ATOM 911 N GLY A 95 -22.054 5.033 -6.542 1.00 0.00 N ATOM 912 CA GLY A 95 -20.608 5.040 -6.901 1.00 0.00 C ATOM 913 C GLY A 95 -20.253 3.730 -7.608 1.00 0.00 C ATOM 914 O GLY A 95 -19.238 3.121 -7.335 1.00 0.00 O ATOM 0 H GLY A 95 -22.663 5.538 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.387 5.888 -7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.000 5.158 -6.004 1.00 0.00 H new ATOM 918 N THR A 96 -21.082 3.292 -8.516 1.00 0.00 N ATOM 919 CA THR A 96 -20.791 2.022 -9.240 1.00 0.00 C ATOM 920 C THR A 96 -20.817 2.281 -10.747 1.00 0.00 C ATOM 921 O THR A 96 -21.313 3.290 -11.205 1.00 0.00 O ATOM 922 CB THR A 96 -21.850 0.977 -8.883 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.086 1.331 -9.488 1.00 0.00 O ATOM 924 CG2 THR A 96 -22.020 0.919 -7.364 1.00 0.00 C ATOM 0 H THR A 96 -21.948 3.758 -8.788 1.00 0.00 H new ATOM 0 HA THR A 96 -19.807 1.654 -8.950 1.00 0.00 H new ATOM 0 HB THR A 96 -21.534 -0.000 -9.248 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.664 1.761 -8.824 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.775 0.174 -7.111 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.071 0.646 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.335 1.895 -6.996 1.00 0.00 H new ATOM 932 N GLN A 97 -20.286 1.376 -11.523 1.00 0.00 N ATOM 933 CA GLN A 97 -20.281 1.571 -13.000 1.00 0.00 C ATOM 934 C GLN A 97 -20.865 0.332 -13.680 1.00 0.00 C ATOM 935 O GLN A 97 -20.991 -0.718 -13.080 1.00 0.00 O ATOM 936 CB GLN A 97 -18.846 1.789 -13.481 1.00 0.00 C ATOM 937 CG GLN A 97 -18.853 2.117 -14.977 1.00 0.00 C ATOM 938 CD GLN A 97 -17.430 2.436 -15.438 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.526 2.537 -14.632 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.191 2.602 -16.710 1.00 0.00 N ATOM 0 H GLN A 97 -19.856 0.510 -11.198 1.00 0.00 H new ATOM 0 HA GLN A 97 -20.885 2.442 -13.253 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.383 2.602 -12.922 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.250 0.895 -13.297 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.249 1.274 -15.543 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.508 2.967 -15.170 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -17.949 2.517 -17.387 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.246 2.816 -17.028 1.00 0.00 H new ATOM 949 N VAL A 98 -21.220 0.445 -14.930 1.00 0.00 N ATOM 950 CA VAL A 98 -21.795 -0.726 -15.654 1.00 0.00 C ATOM 951 C VAL A 98 -20.967 -0.989 -16.912 1.00 0.00 C ATOM 952 O VAL A 98 -19.872 -0.486 -17.060 1.00 0.00 O ATOM 953 CB VAL A 98 -23.249 -0.441 -16.060 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.123 -1.638 -15.682 1.00 0.00 C ATOM 955 CG2 VAL A 98 -23.768 0.811 -15.346 1.00 0.00 C ATOM 0 H VAL A 98 -21.137 1.298 -15.483 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.774 -1.596 -14.998 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.289 -0.275 -17.137 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.156 -1.439 -15.969 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.767 -2.527 -16.202 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.070 -1.802 -14.606 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -24.799 0.999 -15.645 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -23.724 0.659 -14.268 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.150 1.667 -15.617 1.00 0.00 H new ATOM 965 N GLU A 99 -21.484 -1.766 -17.824 1.00 0.00 N ATOM 966 CA GLU A 99 -20.724 -2.047 -19.073 1.00 0.00 C ATOM 967 C GLU A 99 -20.277 -0.721 -19.691 1.00 0.00 C ATOM 968 O GLU A 99 -19.339 -0.668 -20.462 1.00 0.00 O ATOM 969 CB GLU A 99 -21.621 -2.797 -20.060 1.00 0.00 C ATOM 970 CG GLU A 99 -22.036 -4.138 -19.452 1.00 0.00 C ATOM 971 CD GLU A 99 -22.874 -4.922 -20.463 1.00 0.00 C ATOM 972 OE1 GLU A 99 -23.237 -4.345 -21.476 1.00 0.00 O ATOM 973 OE2 GLU A 99 -23.140 -6.085 -20.208 1.00 0.00 O ATOM 0 H GLU A 99 -22.397 -2.217 -17.758 1.00 0.00 H new ATOM 0 HA GLU A 99 -19.852 -2.660 -18.845 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -22.504 -2.201 -20.291 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.091 -2.959 -20.999 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -21.152 -4.712 -19.174 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -22.609 -3.973 -18.539 1.00 0.00 H new ATOM 980 N SER A 100 -20.941 0.351 -19.353 1.00 0.00 N ATOM 981 CA SER A 100 -20.558 1.677 -19.915 1.00 0.00 C ATOM 982 C SER A 100 -21.512 2.750 -19.386 1.00 0.00 C ATOM 983 O SER A 100 -21.845 3.693 -20.077 1.00 0.00 O ATOM 984 CB SER A 100 -20.639 1.628 -21.442 1.00 0.00 C ATOM 985 OG SER A 100 -19.903 2.712 -21.990 1.00 0.00 O ATOM 0 H SER A 100 -21.733 0.365 -18.711 1.00 0.00 H new ATOM 0 HA SER A 100 -19.538 1.918 -19.614 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.240 0.682 -21.808 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.679 1.681 -21.764 1.00 0.00 H new ATOM 0 HG SER A 100 -20.240 3.555 -21.622 1.00 0.00 H new ATOM 991 N VAL A 101 -21.957 2.616 -18.165 1.00 0.00 N ATOM 992 CA VAL A 101 -22.890 3.630 -17.596 1.00 0.00 C ATOM 993 C VAL A 101 -22.550 3.867 -16.123 1.00 0.00 C ATOM 994 O VAL A 101 -21.821 3.110 -15.513 1.00 0.00 O ATOM 995 CB VAL A 101 -24.326 3.118 -17.712 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.254 3.998 -16.872 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.768 3.165 -19.176 1.00 0.00 C ATOM 0 H VAL A 101 -21.715 1.849 -17.538 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.791 4.566 -18.146 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.374 2.091 -17.350 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.277 3.632 -16.956 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.941 3.965 -15.828 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.206 5.026 -17.233 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.792 2.800 -19.259 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.718 4.192 -19.538 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -24.109 2.537 -19.775 1.00 0.00 H new ATOM 1007 N GLN A 102 -23.074 4.915 -15.546 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.784 5.202 -14.114 1.00 0.00 C ATOM 1009 C GLN A 102 -24.099 5.286 -13.334 1.00 0.00 C ATOM 1010 O GLN A 102 -25.012 5.991 -13.712 1.00 0.00 O ATOM 1011 CB GLN A 102 -22.040 6.534 -14.001 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.674 6.415 -14.678 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.912 7.733 -14.523 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -20.487 8.741 -14.163 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.633 7.770 -14.781 1.00 0.00 N ATOM 0 H GLN A 102 -23.691 5.585 -16.006 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.166 4.404 -13.702 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.622 7.328 -14.469 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.916 6.805 -12.953 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.105 5.599 -14.232 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.799 6.177 -15.734 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.149 6.925 -15.083 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.118 8.644 -14.680 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.201 4.572 -12.246 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.457 4.613 -11.443 1.00 0.00 C ATOM 1026 C LEU A 103 -25.317 5.649 -10.327 1.00 0.00 C ATOM 1027 O LEU A 103 -24.373 5.628 -9.563 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.716 3.235 -10.829 1.00 0.00 C ATOM 1029 CG LEU A 103 -26.669 2.446 -11.728 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -26.651 0.970 -11.319 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -28.088 2.997 -11.578 1.00 0.00 C ATOM 0 H LEU A 103 -23.470 3.963 -11.879 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.291 4.886 -12.089 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -24.777 2.694 -10.714 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -26.145 3.344 -9.833 1.00 0.00 H new ATOM 0 HG LEU A 103 -26.350 2.541 -12.766 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -27.330 0.407 -11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -25.641 0.575 -11.425 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -26.970 0.876 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.767 2.434 -12.219 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -28.407 2.902 -10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -28.103 4.048 -11.868 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.249 6.558 -10.226 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.168 7.593 -9.159 1.00 0.00 C ATOM 1045 C LYS A 104 -27.375 7.460 -8.227 1.00 0.00 C ATOM 1046 O LYS A 104 -28.510 7.491 -8.659 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.166 8.985 -9.795 1.00 0.00 C ATOM 1048 CG LYS A 104 -24.858 9.195 -10.559 1.00 0.00 C ATOM 1049 CD LYS A 104 -24.750 10.658 -10.994 1.00 0.00 C ATOM 1050 CE LYS A 104 -23.535 10.830 -11.907 1.00 0.00 C ATOM 1051 NZ LYS A 104 -22.370 10.103 -11.328 1.00 0.00 N ATOM 0 H LYS A 104 -27.063 6.627 -10.837 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.250 7.454 -8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.015 9.089 -10.471 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.276 9.748 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.010 8.928 -9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -24.825 8.542 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.657 10.961 -11.517 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -24.656 11.302 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.758 10.446 -12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -23.298 11.888 -12.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -21.490 10.467 -11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -22.348 10.246 -10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -22.457 9.087 -11.534 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.141 7.309 -6.952 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.276 7.172 -5.997 1.00 0.00 C ATOM 1067 C VAL A 105 -28.356 8.418 -5.112 1.00 0.00 C ATOM 1068 O VAL A 105 -27.350 8.966 -4.703 1.00 0.00 O ATOM 1069 CB VAL A 105 -28.061 5.937 -5.122 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.294 5.709 -4.247 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -27.835 4.713 -6.012 1.00 0.00 C ATOM 0 H VAL A 105 -26.213 7.275 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.206 7.064 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.189 6.091 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -29.140 4.828 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.455 6.580 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -30.167 5.556 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.682 3.833 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.707 4.560 -6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -26.955 4.874 -6.635 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.543 8.866 -4.809 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.689 10.074 -3.949 1.00 0.00 C ATOM 1083 C ASN A 106 -30.782 9.823 -2.907 1.00 0.00 C ATOM 1084 O ASN A 106 -31.435 8.799 -2.914 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.073 11.275 -4.815 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.896 11.651 -5.717 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -27.785 11.208 -5.501 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -29.093 12.454 -6.727 1.00 0.00 N ATOM 0 H ASN A 106 -30.419 8.447 -5.120 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.745 10.280 -3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.947 11.035 -5.421 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.345 12.120 -4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -28.315 12.710 -7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -30.025 12.826 -6.909 1.00 0.00 H new ATOM 1095 N ILE A 107 -30.985 10.748 -2.010 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.035 10.559 -0.969 1.00 0.00 C ATOM 1097 C ILE A 107 -33.178 11.548 -1.207 1.00 0.00 C ATOM 1098 O ILE A 107 -32.981 12.746 -1.225 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.430 10.807 0.415 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.234 9.876 0.626 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.485 10.534 1.488 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.631 10.128 2.010 1.00 0.00 C ATOM 0 H ILE A 107 -30.470 11.626 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.419 9.540 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.099 11.843 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.549 8.836 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.484 10.048 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.055 10.710 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.336 11.199 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -32.817 9.498 1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -28.779 9.465 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.302 11.165 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.383 9.934 2.775 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.373 11.055 -1.388 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.527 11.969 -1.620 1.00 0.00 C ATOM 1116 C ALA A 108 -35.816 12.756 -0.340 1.00 0.00 C ATOM 1117 O ALA A 108 -36.090 12.188 0.699 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.760 11.149 -2.007 1.00 0.00 C ATOM 0 H ALA A 108 -34.600 10.061 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.287 12.662 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.604 11.818 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.553 10.588 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -37.003 10.456 -1.202 1.00 0.00 H new ATOM 1124 N ARG A 109 -35.754 14.057 -0.405 1.00 0.00 N ATOM 1125 CA ARG A 109 -36.023 14.877 0.810 1.00 0.00 C ATOM 1126 C ARG A 109 -37.454 14.632 1.292 1.00 0.00 C ATOM 1127 O ARG A 109 -37.718 14.570 2.476 1.00 0.00 O ATOM 1128 CB ARG A 109 -35.844 16.359 0.474 1.00 0.00 C ATOM 1129 CG ARG A 109 -34.383 16.622 0.096 1.00 0.00 C ATOM 1130 CD ARG A 109 -34.181 18.119 -0.152 1.00 0.00 C ATOM 1131 NE ARG A 109 -32.826 18.346 -0.728 1.00 0.00 N ATOM 1132 CZ ARG A 109 -32.597 19.406 -1.455 1.00 0.00 C ATOM 1133 NH1 ARG A 109 -33.235 20.517 -1.209 1.00 0.00 N ATOM 1134 NH2 ARG A 109 -31.729 19.354 -2.429 1.00 0.00 N ATOM 0 H ARG A 109 -35.529 14.588 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 109 -35.325 14.594 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -36.500 16.638 -0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -36.126 16.974 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -33.723 16.283 0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -34.120 16.056 -0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -34.945 18.492 -0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -34.289 18.671 0.781 1.00 0.00 H new ATOM 0 HE ARG A 109 -32.078 17.674 -0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -33.913 20.558 -0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -33.056 21.345 -1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -31.230 18.485 -2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -31.550 20.182 -2.997 1.00 0.00 H new ATOM 1148 N LYS A 110 -38.382 14.492 0.384 1.00 0.00 N ATOM 1149 CA LYS A 110 -39.793 14.251 0.796 1.00 0.00 C ATOM 1150 C LYS A 110 -39.964 12.787 1.203 1.00 0.00 C ATOM 1151 O LYS A 110 -39.501 11.887 0.530 1.00 0.00 O ATOM 1152 CB LYS A 110 -40.729 14.568 -0.373 1.00 0.00 C ATOM 1153 CG LYS A 110 -42.180 14.515 0.109 1.00 0.00 C ATOM 1154 CD LYS A 110 -43.120 14.763 -1.073 1.00 0.00 C ATOM 1155 CE LYS A 110 -44.557 14.894 -0.563 1.00 0.00 C ATOM 1156 NZ LYS A 110 -45.272 15.933 -1.356 1.00 0.00 N ATOM 0 H LYS A 110 -38.224 14.534 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 110 -40.038 14.894 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -40.504 15.555 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -40.576 13.852 -1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -42.390 13.544 0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -42.345 15.265 0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -42.826 15.670 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -43.049 13.942 -1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -45.073 13.938 -0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -44.556 15.164 0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -46.249 16.023 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -44.783 16.845 -1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -45.284 15.657 -2.359 1.00 0.00 H new ATOM 1170 N GLN A 111 -40.628 12.539 2.299 1.00 0.00 N ATOM 1171 CA GLN A 111 -40.829 11.132 2.747 1.00 0.00 C ATOM 1172 C GLN A 111 -41.678 10.387 1.717 1.00 0.00 C ATOM 1173 O GLN A 111 -42.363 10.986 0.912 1.00 0.00 O ATOM 1174 CB GLN A 111 -41.544 11.125 4.100 1.00 0.00 C ATOM 1175 CG GLN A 111 -40.508 11.095 5.225 1.00 0.00 C ATOM 1176 CD GLN A 111 -40.836 9.954 6.190 1.00 0.00 C ATOM 1177 OE1 GLN A 111 -39.950 9.288 6.687 1.00 0.00 O ATOM 1178 NE2 GLN A 111 -42.083 9.701 6.481 1.00 0.00 N ATOM 0 H GLN A 111 -41.040 13.250 2.903 1.00 0.00 H new ATOM 0 HA GLN A 111 -39.862 10.639 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -42.174 12.010 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -42.200 10.257 4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -39.509 10.959 4.810 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -40.506 12.046 5.757 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -42.827 10.260 6.064 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -42.313 8.944 7.125 1.00 0.00 H new ATOM 1187 N PRO A 112 -41.628 9.047 1.745 1.00 0.00 N ATOM 1188 CA PRO A 112 -42.392 8.204 0.816 1.00 0.00 C ATOM 1189 C PRO A 112 -43.896 8.268 1.094 1.00 0.00 C ATOM 1190 O PRO A 112 -44.707 7.922 0.258 1.00 0.00 O ATOM 1191 CB PRO A 112 -41.867 6.796 1.097 1.00 0.00 C ATOM 1192 CG PRO A 112 -41.361 6.858 2.500 1.00 0.00 C ATOM 1193 CD PRO A 112 -40.824 8.248 2.688 1.00 0.00 C ATOM 0 HA PRO A 112 -42.269 8.521 -0.220 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -42.655 6.050 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -41.074 6.522 0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -42.160 6.649 3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -40.582 6.114 2.667 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -40.947 8.592 3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -39.760 8.304 2.458 1.00 0.00 H new ATOM 1201 N MET A 113 -44.274 8.708 2.263 1.00 0.00 N ATOM 1202 CA MET A 113 -45.725 8.794 2.592 1.00 0.00 C ATOM 1203 C MET A 113 -46.188 10.249 2.484 1.00 0.00 C ATOM 1204 O MET A 113 -46.411 10.761 1.405 1.00 0.00 O ATOM 1205 CB MET A 113 -45.956 8.289 4.017 1.00 0.00 C ATOM 1206 CG MET A 113 -45.613 6.800 4.094 1.00 0.00 C ATOM 1207 SD MET A 113 -46.088 6.153 5.716 1.00 0.00 S ATOM 1208 CE MET A 113 -47.878 6.180 5.455 1.00 0.00 C ATOM 0 H MET A 113 -43.642 9.011 3.004 1.00 0.00 H new ATOM 0 HA MET A 113 -46.293 8.180 1.893 1.00 0.00 H new ATOM 0 HB2 MET A 113 -45.339 8.852 4.718 1.00 0.00 H new ATOM 0 HB3 MET A 113 -46.995 8.449 4.307 1.00 0.00 H new ATOM 0 HG2 MET A 113 -46.134 6.255 3.307 1.00 0.00 H new ATOM 0 HG3 MET A 113 -44.545 6.653 3.931 1.00 0.00 H new ATOM 0 HE1 MET A 113 -48.316 5.260 5.842 1.00 0.00 H new ATOM 0 HE2 MET A 113 -48.309 7.035 5.976 1.00 0.00 H new ATOM 0 HE3 MET A 113 -48.089 6.261 4.389 1.00 0.00 H new TER 1218 MET A 113