USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 81:sc= 0.0573 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc=-0.00557 USER MOD Set 3.1: A 43 TYR OH : rot -110:sc= -0.979! USER MOD Set 3.2: A 75 CYS SG : rot -54:sc= -1.78! USER MOD Set 4.1: A 40 ASN : amide:sc= -5.82! C(o=-6.6!,f=-13!) USER MOD Set 4.2: A 83 MET CE :methyl -137:sc= -0.805 (180deg=-0.84) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -147:sc= -0.637 (180deg=-3.84!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.00193 K(o=-0.0019,f=-1.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -119:sc= -4.95! (180deg=-11.9!) USER MOD Single : A 74 ASN : amide:sc= -0.0462 K(o=-0.046,f=-1.6!) USER MOD Single : A 80 TYR OH : rot 157:sc= -5.67! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.246 USER MOD Single : A 88 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.15) USER MOD Single : A 94 ASN : amide:sc= -0.0663 K(o=-0.066,f=-2.2!) USER MOD Single : A 96 THR OG1 : rot -98:sc= 0.478 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -2.77! C(o=-2.8!,f=-3.7!) USER MOD Single : A 110 LYS NZ :NH3+ -159:sc= -0.146 (180deg=-0.734) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 151:sc= -0.182 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 35 -42.402 13.251 8.267 1.00 0.00 N ATOM 2 CA ALA A 35 -43.423 12.214 7.951 1.00 0.00 C ATOM 3 C ALA A 35 -42.737 10.996 7.329 1.00 0.00 C ATOM 4 O ALA A 35 -42.888 10.720 6.155 1.00 0.00 O ATOM 5 CB ALA A 35 -44.441 12.786 6.962 1.00 0.00 C ATOM 0 HA ALA A 35 -43.934 11.915 8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -45.189 12.028 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -44.930 13.654 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -43.931 13.084 6.046 1.00 0.00 H new ATOM 11 N PRO A 36 -41.968 10.254 8.138 1.00 0.00 N ATOM 12 CA PRO A 36 -41.252 9.058 7.677 1.00 0.00 C ATOM 13 C PRO A 36 -42.213 7.913 7.345 1.00 0.00 C ATOM 14 O PRO A 36 -43.218 7.724 7.999 1.00 0.00 O ATOM 15 CB PRO A 36 -40.380 8.679 8.874 1.00 0.00 C ATOM 16 CG PRO A 36 -41.091 9.254 10.052 1.00 0.00 C ATOM 17 CD PRO A 36 -41.737 10.521 9.569 1.00 0.00 C ATOM 0 HA PRO A 36 -40.687 9.246 6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -40.276 7.598 8.962 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -39.375 9.089 8.778 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -41.837 8.558 10.435 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -40.396 9.457 10.866 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -42.669 10.725 10.097 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -41.090 11.386 9.718 1.00 0.00 H new ATOM 25 N ARG A 37 -41.913 7.149 6.330 1.00 0.00 N ATOM 26 CA ARG A 37 -42.811 6.019 5.957 1.00 0.00 C ATOM 27 C ARG A 37 -41.999 4.725 5.882 1.00 0.00 C ATOM 28 O ARG A 37 -40.869 4.714 5.433 1.00 0.00 O ATOM 29 CB ARG A 37 -43.446 6.301 4.595 1.00 0.00 C ATOM 30 CG ARG A 37 -44.324 7.551 4.693 1.00 0.00 C ATOM 31 CD ARG A 37 -45.025 7.789 3.353 1.00 0.00 C ATOM 32 NE ARG A 37 -45.715 9.109 3.382 1.00 0.00 N ATOM 33 CZ ARG A 37 -46.370 9.479 4.448 1.00 0.00 C ATOM 34 NH1 ARG A 37 -45.761 10.151 5.387 1.00 0.00 N ATOM 35 NH2 ARG A 37 -47.633 9.178 4.576 1.00 0.00 N ATOM 0 H ARG A 37 -41.086 7.258 5.743 1.00 0.00 H new ATOM 0 HA ARG A 37 -43.593 5.914 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -42.671 6.446 3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -44.044 5.447 4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -45.063 7.428 5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -43.715 8.416 4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -44.299 7.764 2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -45.745 6.994 3.161 1.00 0.00 H new ATOM 0 HE ARG A 37 -45.675 9.723 2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -44.774 10.387 5.287 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -46.273 10.441 6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -48.109 8.653 3.842 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -48.144 9.468 5.410 1.00 0.00 H new ATOM 49 N LYS A 38 -42.564 3.632 6.317 1.00 0.00 N ATOM 50 CA LYS A 38 -41.824 2.340 6.268 1.00 0.00 C ATOM 51 C LYS A 38 -41.382 2.061 4.830 1.00 0.00 C ATOM 52 O LYS A 38 -40.339 1.485 4.592 1.00 0.00 O ATOM 53 CB LYS A 38 -42.737 1.211 6.748 1.00 0.00 C ATOM 54 CG LYS A 38 -43.125 1.453 8.208 1.00 0.00 C ATOM 55 CD LYS A 38 -43.953 0.272 8.719 1.00 0.00 C ATOM 56 CE LYS A 38 -44.416 0.555 10.150 1.00 0.00 C ATOM 57 NZ LYS A 38 -44.589 -0.733 10.879 1.00 0.00 N ATOM 0 H LYS A 38 -43.506 3.578 6.704 1.00 0.00 H new ATOM 0 HA LYS A 38 -40.948 2.398 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -43.631 1.163 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -42.229 0.252 6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -42.230 1.574 8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -43.697 2.377 8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -44.815 0.111 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -43.359 -0.641 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -43.686 1.181 10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -45.356 1.107 10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -44.904 -0.542 11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -45.301 -1.314 10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -43.683 -1.243 10.902 1.00 0.00 H new ATOM 71 N GLY A 39 -42.168 2.466 3.870 1.00 0.00 N ATOM 72 CA GLY A 39 -41.794 2.223 2.448 1.00 0.00 C ATOM 73 C GLY A 39 -40.339 2.640 2.224 1.00 0.00 C ATOM 74 O GLY A 39 -39.583 1.955 1.565 1.00 0.00 O ATOM 0 H GLY A 39 -43.053 2.954 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -41.923 1.169 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -42.451 2.788 1.787 1.00 0.00 H new ATOM 78 N ASN A 40 -39.943 3.758 2.766 1.00 0.00 N ATOM 79 CA ASN A 40 -38.537 4.216 2.581 1.00 0.00 C ATOM 80 C ASN A 40 -38.196 4.215 1.091 1.00 0.00 C ATOM 81 O ASN A 40 -37.440 3.391 0.617 1.00 0.00 O ATOM 82 CB ASN A 40 -37.591 3.269 3.320 1.00 0.00 C ATOM 83 CG ASN A 40 -36.144 3.695 3.071 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.475 3.147 2.218 1.00 0.00 O ATOM 85 ND2 ASN A 40 -35.628 4.659 3.785 1.00 0.00 N ATOM 0 H ASN A 40 -40.531 4.374 3.328 1.00 0.00 H new ATOM 0 HA ASN A 40 -38.426 5.224 2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -37.807 3.283 4.388 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -37.744 2.245 2.978 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -34.664 4.951 3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -36.189 5.120 4.501 1.00 0.00 H new ATOM 92 N THR A 41 -38.748 5.133 0.346 1.00 0.00 N ATOM 93 CA THR A 41 -38.456 5.182 -1.115 1.00 0.00 C ATOM 94 C THR A 41 -37.032 5.698 -1.334 1.00 0.00 C ATOM 95 O THR A 41 -36.598 6.640 -0.702 1.00 0.00 O ATOM 96 CB THR A 41 -39.451 6.119 -1.803 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.776 5.696 -1.512 1.00 0.00 O ATOM 98 CG2 THR A 41 -39.224 6.088 -3.315 1.00 0.00 C ATOM 0 H THR A 41 -39.388 5.851 0.685 1.00 0.00 H new ATOM 0 HA THR A 41 -38.548 4.182 -1.538 1.00 0.00 H new ATOM 0 HB THR A 41 -39.305 7.136 -1.438 1.00 0.00 H new ATOM 0 HG1 THR A 41 -41.415 6.296 -1.951 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.934 6.756 -3.803 1.00 0.00 H new ATOM 0 HG22 THR A 41 -38.208 6.413 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 41 -39.369 5.073 -3.684 1.00 0.00 H new ATOM 106 N LEU A 42 -36.303 5.087 -2.227 1.00 0.00 N ATOM 107 CA LEU A 42 -34.910 5.542 -2.492 1.00 0.00 C ATOM 108 C LEU A 42 -34.860 6.249 -3.847 1.00 0.00 C ATOM 109 O LEU A 42 -35.700 6.038 -4.700 1.00 0.00 O ATOM 110 CB LEU A 42 -33.971 4.334 -2.516 1.00 0.00 C ATOM 111 CG LEU A 42 -32.526 4.808 -2.355 1.00 0.00 C ATOM 112 CD1 LEU A 42 -32.385 5.590 -1.046 1.00 0.00 C ATOM 113 CD2 LEU A 42 -31.593 3.594 -2.328 1.00 0.00 C ATOM 0 H LEU A 42 -36.613 4.291 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.596 6.229 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -34.230 3.643 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -34.084 3.790 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 42 -32.260 5.454 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -31.355 5.927 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -33.049 6.454 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -32.650 4.946 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -30.562 3.930 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -31.860 2.949 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -31.692 3.038 -3.260 1.00 0.00 H new ATOM 125 N TYR A 43 -33.882 7.086 -4.052 1.00 0.00 N ATOM 126 CA TYR A 43 -33.778 7.807 -5.352 1.00 0.00 C ATOM 127 C TYR A 43 -32.653 7.194 -6.188 1.00 0.00 C ATOM 128 O TYR A 43 -31.559 6.974 -5.709 1.00 0.00 O ATOM 129 CB TYR A 43 -33.477 9.285 -5.092 1.00 0.00 C ATOM 130 CG TYR A 43 -33.547 10.052 -6.391 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.773 10.551 -6.844 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.384 10.265 -7.143 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.839 11.264 -8.047 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.450 10.977 -8.346 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.677 11.477 -8.798 1.00 0.00 C ATOM 136 OH TYR A 43 -33.741 12.180 -9.984 1.00 0.00 O ATOM 0 H TYR A 43 -33.150 7.302 -3.376 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.720 7.718 -5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.193 9.692 -4.378 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.488 9.392 -4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.670 10.386 -6.265 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.437 9.880 -6.794 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.786 11.649 -8.395 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.554 11.141 -8.926 1.00 0.00 H new ATOM 0 HH TYR A 43 -33.595 11.568 -10.735 1.00 0.00 H new ATOM 146 N VAL A 44 -32.915 6.914 -7.435 1.00 0.00 N ATOM 147 CA VAL A 44 -31.863 6.314 -8.303 1.00 0.00 C ATOM 148 C VAL A 44 -31.736 7.132 -9.589 1.00 0.00 C ATOM 149 O VAL A 44 -32.702 7.351 -10.293 1.00 0.00 O ATOM 150 CB VAL A 44 -32.250 4.875 -8.648 1.00 0.00 C ATOM 151 CG1 VAL A 44 -31.149 4.240 -9.501 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.425 4.071 -7.359 1.00 0.00 C ATOM 0 H VAL A 44 -33.813 7.075 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.909 6.318 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 44 -33.186 4.875 -9.206 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.425 3.215 -9.747 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -31.025 4.813 -10.420 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -30.212 4.240 -8.944 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.701 3.045 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.489 4.071 -6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -33.210 4.522 -6.752 1.00 0.00 H new ATOM 162 N TYR A 45 -30.554 7.585 -9.903 1.00 0.00 N ATOM 163 CA TYR A 45 -30.369 8.388 -11.145 1.00 0.00 C ATOM 164 C TYR A 45 -29.481 7.616 -12.123 1.00 0.00 C ATOM 165 O TYR A 45 -28.470 7.058 -11.749 1.00 0.00 O ATOM 166 CB TYR A 45 -29.705 9.722 -10.798 1.00 0.00 C ATOM 167 CG TYR A 45 -29.675 10.605 -12.023 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.797 11.371 -12.363 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.524 10.659 -12.819 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.768 12.191 -13.498 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.495 11.478 -13.954 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.617 12.244 -14.293 1.00 0.00 C ATOM 173 OH TYR A 45 -29.588 13.053 -15.411 1.00 0.00 O ATOM 0 H TYR A 45 -29.708 7.434 -9.354 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.340 8.575 -11.604 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.253 10.215 -9.995 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.692 9.552 -10.435 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.685 11.329 -11.750 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.658 10.069 -12.557 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.633 12.782 -13.760 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.607 11.519 -14.568 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.715 12.974 -15.850 1.00 0.00 H new ATOM 183 N GLY A 46 -29.850 7.581 -13.374 1.00 0.00 N ATOM 184 CA GLY A 46 -29.026 6.845 -14.373 1.00 0.00 C ATOM 185 C GLY A 46 -29.695 6.927 -15.746 1.00 0.00 C ATOM 186 O GLY A 46 -30.881 7.161 -15.857 1.00 0.00 O ATOM 0 H GLY A 46 -30.686 8.030 -13.747 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -28.024 7.272 -14.419 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.915 5.803 -14.072 1.00 0.00 H new ATOM 190 N GLU A 47 -28.941 6.737 -16.794 1.00 0.00 N ATOM 191 CA GLU A 47 -29.533 6.804 -18.159 1.00 0.00 C ATOM 192 C GLU A 47 -29.797 5.387 -18.673 1.00 0.00 C ATOM 193 O GLU A 47 -29.172 4.436 -18.246 1.00 0.00 O ATOM 194 CB GLU A 47 -28.558 7.517 -19.099 1.00 0.00 C ATOM 195 CG GLU A 47 -27.366 6.602 -19.390 1.00 0.00 C ATOM 196 CD GLU A 47 -26.357 7.345 -20.268 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.629 8.482 -20.616 1.00 0.00 O ATOM 198 OE2 GLU A 47 -25.329 6.764 -20.577 1.00 0.00 O ATOM 0 H GLU A 47 -27.941 6.538 -16.764 1.00 0.00 H new ATOM 0 HA GLU A 47 -30.473 7.355 -18.122 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -29.061 7.783 -20.029 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -28.214 8.447 -18.646 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -26.895 6.293 -18.457 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.704 5.695 -19.892 1.00 0.00 H new ATOM 205 N ASP A 48 -30.719 5.238 -19.584 1.00 0.00 N ATOM 206 CA ASP A 48 -31.023 3.882 -20.121 1.00 0.00 C ATOM 207 C ASP A 48 -31.139 2.890 -18.961 1.00 0.00 C ATOM 208 O ASP A 48 -30.431 1.905 -18.902 1.00 0.00 O ATOM 209 CB ASP A 48 -29.896 3.441 -21.059 1.00 0.00 C ATOM 210 CG ASP A 48 -29.828 4.392 -22.255 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.800 5.090 -22.490 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.802 4.406 -22.917 1.00 0.00 O ATOM 0 H ASP A 48 -31.275 5.996 -19.979 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.964 3.910 -20.671 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.945 3.440 -20.527 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -30.071 2.421 -21.401 1.00 0.00 H new ATOM 217 N MET A 49 -32.026 3.143 -18.039 1.00 0.00 N ATOM 218 CA MET A 49 -32.185 2.216 -16.884 1.00 0.00 C ATOM 219 C MET A 49 -33.455 1.382 -17.067 1.00 0.00 C ATOM 220 O MET A 49 -34.469 1.869 -17.525 1.00 0.00 O ATOM 221 CB MET A 49 -32.292 3.027 -15.591 1.00 0.00 C ATOM 222 CG MET A 49 -30.948 3.697 -15.296 1.00 0.00 C ATOM 223 SD MET A 49 -30.992 4.429 -13.642 1.00 0.00 S ATOM 224 CE MET A 49 -32.456 5.464 -13.889 1.00 0.00 C ATOM 0 H MET A 49 -32.648 3.952 -18.036 1.00 0.00 H new ATOM 0 HA MET A 49 -31.321 1.554 -16.830 1.00 0.00 H new ATOM 0 HB2 MET A 49 -33.073 3.781 -15.686 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.576 2.377 -14.764 1.00 0.00 H new ATOM 0 HG2 MET A 49 -30.142 2.966 -15.361 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.741 4.466 -16.041 1.00 0.00 H new ATOM 0 HE1 MET A 49 -32.357 6.380 -13.306 1.00 0.00 H new ATOM 0 HE2 MET A 49 -32.550 5.714 -14.946 1.00 0.00 H new ATOM 0 HE3 MET A 49 -33.344 4.922 -13.564 1.00 0.00 H new ATOM 234 N THR A 50 -33.407 0.127 -16.709 1.00 0.00 N ATOM 235 CA THR A 50 -34.611 -0.738 -16.859 1.00 0.00 C ATOM 236 C THR A 50 -35.006 -1.299 -15.492 1.00 0.00 C ATOM 237 O THR A 50 -34.229 -1.286 -14.558 1.00 0.00 O ATOM 238 CB THR A 50 -34.296 -1.893 -17.812 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.991 -2.386 -17.540 1.00 0.00 O ATOM 240 CG2 THR A 50 -34.366 -1.400 -19.259 1.00 0.00 C ATOM 0 H THR A 50 -32.586 -0.336 -16.319 1.00 0.00 H new ATOM 0 HA THR A 50 -35.434 -0.149 -17.264 1.00 0.00 H new ATOM 0 HB THR A 50 -35.025 -2.691 -17.668 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.788 -3.127 -18.148 1.00 0.00 H new ATOM 0 HG21 THR A 50 -34.141 -2.225 -19.936 1.00 0.00 H new ATOM 0 HG22 THR A 50 -35.367 -1.023 -19.467 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.639 -0.601 -19.407 1.00 0.00 H new ATOM 248 N PRO A 51 -36.244 -1.802 -15.378 1.00 0.00 N ATOM 249 CA PRO A 51 -36.755 -2.373 -14.125 1.00 0.00 C ATOM 250 C PRO A 51 -36.073 -3.701 -13.787 1.00 0.00 C ATOM 251 O PRO A 51 -35.947 -4.070 -12.637 1.00 0.00 O ATOM 252 CB PRO A 51 -38.238 -2.603 -14.414 1.00 0.00 C ATOM 253 CG PRO A 51 -38.314 -2.744 -15.898 1.00 0.00 C ATOM 254 CD PRO A 51 -37.242 -1.854 -16.461 1.00 0.00 C ATOM 0 HA PRO A 51 -36.571 -1.720 -13.272 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.606 -3.497 -13.911 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.845 -1.768 -14.063 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -38.157 -3.780 -16.199 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -39.297 -2.450 -16.267 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.819 -2.264 -17.379 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.627 -0.863 -16.702 1.00 0.00 H new ATOM 262 N THR A 52 -35.630 -4.422 -14.781 1.00 0.00 N ATOM 263 CA THR A 52 -34.955 -5.722 -14.515 1.00 0.00 C ATOM 264 C THR A 52 -33.555 -5.463 -13.961 1.00 0.00 C ATOM 265 O THR A 52 -33.127 -6.083 -13.008 1.00 0.00 O ATOM 266 CB THR A 52 -34.851 -6.521 -15.816 1.00 0.00 C ATOM 267 OG1 THR A 52 -34.274 -5.704 -16.825 1.00 0.00 O ATOM 268 CG2 THR A 52 -36.246 -6.971 -16.255 1.00 0.00 C ATOM 0 H THR A 52 -35.707 -4.166 -15.765 1.00 0.00 H new ATOM 0 HA THR A 52 -35.535 -6.290 -13.788 1.00 0.00 H new ATOM 0 HB THR A 52 -34.224 -7.398 -15.655 1.00 0.00 H new ATOM 0 HG1 THR A 52 -34.205 -6.214 -17.659 1.00 0.00 H new ATOM 0 HG21 THR A 52 -36.170 -7.540 -17.182 1.00 0.00 H new ATOM 0 HG22 THR A 52 -36.687 -7.598 -15.480 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.876 -6.097 -16.417 1.00 0.00 H new ATOM 276 N LEU A 53 -32.842 -4.546 -14.549 1.00 0.00 N ATOM 277 CA LEU A 53 -31.470 -4.238 -14.058 1.00 0.00 C ATOM 278 C LEU A 53 -31.554 -3.722 -12.621 1.00 0.00 C ATOM 279 O LEU A 53 -30.756 -4.077 -11.775 1.00 0.00 O ATOM 280 CB LEU A 53 -30.836 -3.168 -14.950 1.00 0.00 C ATOM 281 CG LEU A 53 -29.393 -2.921 -14.503 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.518 -4.105 -14.923 1.00 0.00 C ATOM 283 CD2 LEU A 53 -28.869 -1.643 -15.161 1.00 0.00 C ATOM 0 H LEU A 53 -33.150 -3.995 -15.350 1.00 0.00 H new ATOM 0 HA LEU A 53 -30.859 -5.140 -14.088 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -30.856 -3.489 -15.991 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.410 -2.243 -14.891 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.362 -2.813 -13.419 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.490 -3.929 -14.605 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -28.891 -5.017 -14.457 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -28.548 -4.213 -16.007 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.841 -1.465 -14.844 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -28.900 -1.753 -16.245 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.491 -0.799 -14.864 1.00 0.00 H new ATOM 295 N LEU A 54 -32.518 -2.890 -12.335 1.00 0.00 N ATOM 296 CA LEU A 54 -32.656 -2.357 -10.952 1.00 0.00 C ATOM 297 C LEU A 54 -33.046 -3.495 -10.008 1.00 0.00 C ATOM 298 O LEU A 54 -32.555 -3.595 -8.902 1.00 0.00 O ATOM 299 CB LEU A 54 -33.742 -1.279 -10.926 1.00 0.00 C ATOM 300 CG LEU A 54 -33.283 -0.073 -11.748 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.441 0.918 -11.890 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.112 0.612 -11.039 1.00 0.00 C ATOM 0 H LEU A 54 -33.216 -2.557 -13.000 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.708 -1.924 -10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.673 -1.676 -11.331 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.945 -0.977 -9.899 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.966 -0.407 -12.736 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -34.115 1.777 -12.476 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -35.276 0.432 -12.394 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.758 1.251 -10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -31.785 1.471 -11.624 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -32.430 0.946 -10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.287 -0.092 -10.936 1.00 0.00 H new ATOM 314 N ARG A 55 -33.927 -4.358 -10.437 1.00 0.00 N ATOM 315 CA ARG A 55 -34.345 -5.489 -9.564 1.00 0.00 C ATOM 316 C ARG A 55 -33.106 -6.252 -9.093 1.00 0.00 C ATOM 317 O ARG A 55 -33.016 -6.668 -7.955 1.00 0.00 O ATOM 318 CB ARG A 55 -35.257 -6.433 -10.349 1.00 0.00 C ATOM 319 CG ARG A 55 -35.683 -7.595 -9.449 1.00 0.00 C ATOM 320 CD ARG A 55 -36.467 -8.618 -10.272 1.00 0.00 C ATOM 321 NE ARG A 55 -37.002 -9.675 -9.367 1.00 0.00 N ATOM 322 CZ ARG A 55 -37.732 -9.344 -8.338 1.00 0.00 C ATOM 323 NH1 ARG A 55 -37.231 -9.411 -7.135 1.00 0.00 N ATOM 324 NH2 ARG A 55 -38.962 -8.946 -8.512 1.00 0.00 N ATOM 0 H ARG A 55 -34.374 -4.328 -11.353 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.885 -5.100 -8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -36.135 -5.895 -10.706 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -34.736 -6.812 -11.228 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -34.806 -8.065 -9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.297 -7.226 -8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.285 -8.127 -10.800 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -35.822 -9.064 -11.029 1.00 0.00 H new ATOM 0 HE ARG A 55 -36.797 -10.657 -9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -36.269 -9.722 -7.000 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -37.801 -9.152 -6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -39.353 -8.894 -9.453 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -39.533 -8.687 -7.707 1.00 0.00 H new ATOM 338 N GLY A 56 -32.149 -6.442 -9.960 1.00 0.00 N ATOM 339 CA GLY A 56 -30.918 -7.179 -9.560 1.00 0.00 C ATOM 340 C GLY A 56 -30.011 -6.256 -8.743 1.00 0.00 C ATOM 341 O GLY A 56 -29.338 -6.683 -7.827 1.00 0.00 O ATOM 0 H GLY A 56 -32.167 -6.119 -10.927 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.183 -8.058 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.390 -7.534 -10.445 1.00 0.00 H new ATOM 345 N ALA A 57 -29.989 -4.995 -9.070 1.00 0.00 N ATOM 346 CA ALA A 57 -29.127 -4.042 -8.313 1.00 0.00 C ATOM 347 C ALA A 57 -29.824 -3.650 -7.008 1.00 0.00 C ATOM 348 O ALA A 57 -29.259 -2.973 -6.172 1.00 0.00 O ATOM 349 CB ALA A 57 -28.883 -2.790 -9.158 1.00 0.00 C ATOM 0 H ALA A 57 -30.530 -4.581 -9.829 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.173 -4.517 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.253 -2.094 -8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.386 -3.069 -10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -29.836 -2.313 -9.386 1.00 0.00 H new ATOM 355 N PHE A 58 -31.047 -4.068 -6.827 1.00 0.00 N ATOM 356 CA PHE A 58 -31.780 -3.719 -5.577 1.00 0.00 C ATOM 357 C PHE A 58 -32.403 -4.983 -4.975 1.00 0.00 C ATOM 358 O PHE A 58 -33.029 -4.942 -3.934 1.00 0.00 O ATOM 359 CB PHE A 58 -32.884 -2.713 -5.903 1.00 0.00 C ATOM 360 CG PHE A 58 -32.271 -1.362 -6.192 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.606 -1.138 -7.406 1.00 0.00 C ATOM 362 CD2 PHE A 58 -32.366 -0.332 -5.247 1.00 0.00 C ATOM 363 CE1 PHE A 58 -31.039 0.115 -7.673 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.800 0.919 -5.515 1.00 0.00 C ATOM 365 CZ PHE A 58 -31.136 1.143 -6.728 1.00 0.00 C ATOM 0 H PHE A 58 -31.571 -4.637 -7.492 1.00 0.00 H new ATOM 0 HA PHE A 58 -31.086 -3.282 -4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.458 -3.055 -6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.579 -2.637 -5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.531 -1.931 -8.135 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.877 -0.504 -4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.527 0.288 -8.608 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.875 1.713 -4.786 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.699 2.109 -6.934 1.00 0.00 H new ATOM 375 N SER A 59 -32.239 -6.105 -5.621 1.00 0.00 N ATOM 376 CA SER A 59 -32.824 -7.369 -5.089 1.00 0.00 C ATOM 377 C SER A 59 -32.076 -7.801 -3.825 1.00 0.00 C ATOM 378 O SER A 59 -32.672 -7.998 -2.783 1.00 0.00 O ATOM 379 CB SER A 59 -32.708 -8.467 -6.148 1.00 0.00 C ATOM 380 OG SER A 59 -32.499 -9.719 -5.509 1.00 0.00 O ATOM 0 H SER A 59 -31.724 -6.201 -6.496 1.00 0.00 H new ATOM 0 HA SER A 59 -33.873 -7.202 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 59 -33.614 -8.502 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 59 -31.882 -8.249 -6.825 1.00 0.00 H new ATOM 0 HG SER A 59 -32.426 -10.424 -6.186 1.00 0.00 H new ATOM 386 N PRO A 60 -30.746 -7.961 -3.917 1.00 0.00 N ATOM 387 CA PRO A 60 -29.919 -8.382 -2.778 1.00 0.00 C ATOM 388 C PRO A 60 -29.865 -7.313 -1.685 1.00 0.00 C ATOM 389 O PRO A 60 -29.643 -7.606 -0.527 1.00 0.00 O ATOM 390 CB PRO A 60 -28.533 -8.580 -3.394 1.00 0.00 C ATOM 391 CG PRO A 60 -28.534 -7.710 -4.602 1.00 0.00 C ATOM 392 CD PRO A 60 -29.940 -7.744 -5.133 1.00 0.00 C ATOM 0 HA PRO A 60 -30.314 -9.275 -2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.745 -8.292 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.361 -9.624 -3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.236 -6.692 -4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -27.826 -8.075 -5.347 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.206 -6.813 -5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.079 -8.546 -5.858 1.00 0.00 H new ATOM 400 N PHE A 61 -30.069 -6.074 -2.041 1.00 0.00 N ATOM 401 CA PHE A 61 -30.033 -4.993 -1.018 1.00 0.00 C ATOM 402 C PHE A 61 -31.286 -5.081 -0.147 1.00 0.00 C ATOM 403 O PHE A 61 -31.336 -4.548 0.944 1.00 0.00 O ATOM 404 CB PHE A 61 -29.988 -3.632 -1.716 1.00 0.00 C ATOM 405 CG PHE A 61 -28.615 -3.415 -2.303 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.555 -3.016 -1.479 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.399 -3.613 -3.671 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.281 -2.814 -2.024 1.00 0.00 C ATOM 409 CE2 PHE A 61 -27.126 -3.411 -4.217 1.00 0.00 C ATOM 410 CZ PHE A 61 -26.067 -3.012 -3.393 1.00 0.00 C ATOM 0 H PHE A 61 -30.259 -5.765 -2.994 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.147 -5.108 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.742 -3.589 -2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.221 -2.839 -1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.720 -2.864 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.216 -3.922 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.464 -2.506 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.961 -3.563 -5.273 1.00 0.00 H new ATOM 0 HZ PHE A 61 -25.085 -2.857 -3.814 1.00 0.00 H new ATOM 420 N GLY A 62 -32.301 -5.751 -0.620 1.00 0.00 N ATOM 421 CA GLY A 62 -33.551 -5.876 0.180 1.00 0.00 C ATOM 422 C GLY A 62 -34.731 -6.148 -0.756 1.00 0.00 C ATOM 423 O GLY A 62 -34.569 -6.279 -1.953 1.00 0.00 O ATOM 0 H GLY A 62 -32.318 -6.218 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.453 -6.685 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.726 -4.961 0.747 1.00 0.00 H new ATOM 427 N ASN A 63 -35.918 -6.235 -0.220 1.00 0.00 N ATOM 428 CA ASN A 63 -37.106 -6.498 -1.080 1.00 0.00 C ATOM 429 C ASN A 63 -37.739 -5.168 -1.493 1.00 0.00 C ATOM 430 O ASN A 63 -37.920 -4.278 -0.685 1.00 0.00 O ATOM 431 CB ASN A 63 -38.127 -7.329 -0.299 1.00 0.00 C ATOM 432 CG ASN A 63 -37.523 -8.693 0.036 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.535 -9.094 -0.547 1.00 0.00 O ATOM 434 ND2 ASN A 63 -38.079 -9.429 0.959 1.00 0.00 N ATOM 0 H ASN A 63 -36.116 -6.135 0.776 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.797 -7.046 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.411 -6.810 0.617 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -39.035 -7.456 -0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.684 -10.341 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -38.908 -9.093 1.449 1.00 0.00 H new ATOM 441 N ILE A 64 -38.078 -5.024 -2.744 1.00 0.00 N ATOM 442 CA ILE A 64 -38.699 -3.751 -3.206 1.00 0.00 C ATOM 443 C ILE A 64 -40.221 -3.901 -3.222 1.00 0.00 C ATOM 444 O ILE A 64 -40.766 -4.723 -3.930 1.00 0.00 O ATOM 445 CB ILE A 64 -38.206 -3.425 -4.616 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.677 -3.360 -4.621 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.774 -2.074 -5.055 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.170 -3.423 -6.063 1.00 0.00 C ATOM 0 H ILE A 64 -37.952 -5.733 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.420 -2.945 -2.527 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.539 -4.201 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.340 -2.439 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.265 -4.187 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.423 -1.841 -6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.863 -2.119 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.441 -1.298 -4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.081 -3.377 -6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.496 -4.356 -6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.572 -2.581 -6.627 1.00 0.00 H new ATOM 460 N ILE A 65 -40.912 -3.112 -2.446 1.00 0.00 N ATOM 461 CA ILE A 65 -42.398 -3.209 -2.417 1.00 0.00 C ATOM 462 C ILE A 65 -42.985 -2.338 -3.529 1.00 0.00 C ATOM 463 O ILE A 65 -44.083 -2.568 -3.996 1.00 0.00 O ATOM 464 CB ILE A 65 -42.915 -2.722 -1.062 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.740 -1.205 -0.963 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.124 -3.401 0.058 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.441 -0.691 0.297 1.00 0.00 C ATOM 0 H ILE A 65 -40.511 -2.404 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.698 -4.246 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 65 -43.972 -2.972 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.680 -0.952 -0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.157 -0.722 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.491 -3.055 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.249 -4.482 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.068 -3.151 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.316 0.390 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.503 -0.931 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -43.003 -1.165 1.176 1.00 0.00 H new ATOM 479 N ASP A 66 -42.263 -1.339 -3.956 1.00 0.00 N ATOM 480 CA ASP A 66 -42.781 -0.454 -5.037 1.00 0.00 C ATOM 481 C ASP A 66 -41.607 0.125 -5.829 1.00 0.00 C ATOM 482 O ASP A 66 -41.028 1.125 -5.454 1.00 0.00 O ATOM 483 CB ASP A 66 -43.591 0.687 -4.419 1.00 0.00 C ATOM 484 CG ASP A 66 -44.213 1.531 -5.533 1.00 0.00 C ATOM 485 OD1 ASP A 66 -45.280 1.167 -5.999 1.00 0.00 O ATOM 486 OD2 ASP A 66 -43.612 2.527 -5.901 1.00 0.00 O ATOM 0 H ASP A 66 -41.337 -1.097 -3.603 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.420 -1.033 -5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.372 0.285 -3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -42.948 1.307 -3.794 1.00 0.00 H new ATOM 491 N LEU A 67 -41.254 -0.492 -6.922 1.00 0.00 N ATOM 492 CA LEU A 67 -40.119 0.028 -7.735 1.00 0.00 C ATOM 493 C LEU A 67 -40.656 0.986 -8.800 1.00 0.00 C ATOM 494 O LEU A 67 -41.589 0.675 -9.514 1.00 0.00 O ATOM 495 CB LEU A 67 -39.400 -1.138 -8.415 1.00 0.00 C ATOM 496 CG LEU A 67 -38.209 -0.606 -9.214 1.00 0.00 C ATOM 497 CD1 LEU A 67 -36.953 -1.399 -8.847 1.00 0.00 C ATOM 498 CD2 LEU A 67 -38.490 -0.758 -10.711 1.00 0.00 C ATOM 0 H LEU A 67 -41.701 -1.333 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.419 0.556 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.059 -1.855 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.087 -1.668 -9.075 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.055 0.447 -8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.104 -1.020 -9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -36.753 -1.290 -7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.106 -2.452 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -37.642 -0.379 -11.281 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -38.644 -1.811 -10.947 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -39.384 -0.193 -10.973 1.00 0.00 H new ATOM 510 N SER A 68 -40.080 2.151 -8.910 1.00 0.00 N ATOM 511 CA SER A 68 -40.564 3.125 -9.929 1.00 0.00 C ATOM 512 C SER A 68 -39.423 3.485 -10.881 1.00 0.00 C ATOM 513 O SER A 68 -38.260 3.375 -10.543 1.00 0.00 O ATOM 514 CB SER A 68 -41.060 4.391 -9.228 1.00 0.00 C ATOM 515 OG SER A 68 -42.159 4.068 -8.389 1.00 0.00 O ATOM 0 H SER A 68 -39.297 2.470 -8.340 1.00 0.00 H new ATOM 0 HA SER A 68 -41.380 2.678 -10.496 1.00 0.00 H new ATOM 0 HB2 SER A 68 -40.256 4.832 -8.639 1.00 0.00 H new ATOM 0 HB3 SER A 68 -41.359 5.135 -9.966 1.00 0.00 H new ATOM 0 HG SER A 68 -42.476 4.879 -7.938 1.00 0.00 H new ATOM 521 N MET A 69 -39.746 3.917 -12.069 1.00 0.00 N ATOM 522 CA MET A 69 -38.683 4.286 -13.044 1.00 0.00 C ATOM 523 C MET A 69 -39.157 5.470 -13.890 1.00 0.00 C ATOM 524 O MET A 69 -40.306 5.547 -14.278 1.00 0.00 O ATOM 525 CB MET A 69 -38.391 3.094 -13.958 1.00 0.00 C ATOM 526 CG MET A 69 -37.819 1.943 -13.129 1.00 0.00 C ATOM 527 SD MET A 69 -37.174 0.667 -14.238 1.00 0.00 S ATOM 528 CE MET A 69 -35.899 1.678 -15.029 1.00 0.00 C ATOM 0 H MET A 69 -40.702 4.030 -12.406 1.00 0.00 H new ATOM 0 HA MET A 69 -37.777 4.562 -12.505 1.00 0.00 H new ATOM 0 HB2 MET A 69 -39.304 2.775 -14.461 1.00 0.00 H new ATOM 0 HB3 MET A 69 -37.684 3.383 -14.735 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.026 2.309 -12.477 1.00 0.00 H new ATOM 0 HG3 MET A 69 -38.593 1.524 -12.485 1.00 0.00 H new ATOM 0 HE1 MET A 69 -36.097 1.742 -16.099 1.00 0.00 H new ATOM 0 HE2 MET A 69 -35.909 2.679 -14.597 1.00 0.00 H new ATOM 0 HE3 MET A 69 -34.922 1.223 -14.868 1.00 0.00 H new ATOM 538 N ASP A 70 -38.282 6.392 -14.180 1.00 0.00 N ATOM 539 CA ASP A 70 -38.686 7.568 -15.001 1.00 0.00 C ATOM 540 C ASP A 70 -37.701 7.747 -16.157 1.00 0.00 C ATOM 541 O ASP A 70 -36.611 8.255 -15.984 1.00 0.00 O ATOM 542 CB ASP A 70 -38.685 8.825 -14.129 1.00 0.00 C ATOM 543 CG ASP A 70 -39.460 8.552 -12.839 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.669 8.723 -12.849 1.00 0.00 O ATOM 545 OD2 ASP A 70 -38.833 8.175 -11.863 1.00 0.00 O ATOM 0 H ASP A 70 -37.306 6.383 -13.885 1.00 0.00 H new ATOM 0 HA ASP A 70 -39.687 7.405 -15.400 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -37.661 9.118 -13.896 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -39.139 9.656 -14.669 1.00 0.00 H new ATOM 550 N PRO A 71 -38.101 7.316 -17.364 1.00 0.00 N ATOM 551 CA PRO A 71 -37.259 7.424 -18.557 1.00 0.00 C ATOM 552 C PRO A 71 -37.171 8.855 -19.125 1.00 0.00 C ATOM 553 O PRO A 71 -36.186 9.201 -19.748 1.00 0.00 O ATOM 554 CB PRO A 71 -37.938 6.494 -19.562 1.00 0.00 C ATOM 555 CG PRO A 71 -39.366 6.420 -19.133 1.00 0.00 C ATOM 556 CD PRO A 71 -39.403 6.686 -17.649 1.00 0.00 C ATOM 0 HA PRO A 71 -36.226 7.160 -18.330 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -37.852 6.883 -20.577 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -37.475 5.507 -19.559 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -39.967 7.154 -19.670 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -39.785 5.439 -19.358 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -40.231 7.343 -17.382 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -39.532 5.764 -17.082 1.00 0.00 H new ATOM 564 N PRO A 72 -38.199 9.712 -18.925 1.00 0.00 N ATOM 565 CA PRO A 72 -38.166 11.084 -19.448 1.00 0.00 C ATOM 566 C PRO A 72 -37.239 11.982 -18.625 1.00 0.00 C ATOM 567 O PRO A 72 -36.716 12.963 -19.115 1.00 0.00 O ATOM 568 CB PRO A 72 -39.607 11.563 -19.309 1.00 0.00 C ATOM 569 CG PRO A 72 -40.180 10.748 -18.199 1.00 0.00 C ATOM 570 CD PRO A 72 -39.451 9.432 -18.194 1.00 0.00 C ATOM 0 HA PRO A 72 -37.790 11.119 -20.471 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -39.648 12.628 -19.079 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -40.163 11.415 -20.235 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.059 11.259 -17.244 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.249 10.595 -18.346 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.252 9.090 -17.178 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -40.033 8.652 -18.684 1.00 0.00 H new ATOM 578 N ARG A 73 -37.034 11.656 -17.379 1.00 0.00 N ATOM 579 CA ARG A 73 -36.143 12.493 -16.529 1.00 0.00 C ATOM 580 C ARG A 73 -34.884 11.701 -16.166 1.00 0.00 C ATOM 581 O ARG A 73 -34.002 12.196 -15.492 1.00 0.00 O ATOM 582 CB ARG A 73 -36.882 12.889 -15.249 1.00 0.00 C ATOM 583 CG ARG A 73 -38.095 13.750 -15.606 1.00 0.00 C ATOM 584 CD ARG A 73 -38.753 14.261 -14.322 1.00 0.00 C ATOM 585 NE ARG A 73 -40.064 14.889 -14.653 1.00 0.00 N ATOM 586 CZ ARG A 73 -40.605 15.742 -13.827 1.00 0.00 C ATOM 587 NH1 ARG A 73 -40.774 16.985 -14.190 1.00 0.00 N ATOM 588 NH2 ARG A 73 -40.978 15.354 -12.638 1.00 0.00 N ATOM 0 H ARG A 73 -37.445 10.847 -16.913 1.00 0.00 H new ATOM 0 HA ARG A 73 -35.860 13.391 -17.079 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.202 11.997 -14.710 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -36.214 13.440 -14.586 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.788 14.590 -16.229 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.810 13.167 -16.187 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.898 13.438 -13.622 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -38.104 14.986 -13.831 1.00 0.00 H new ATOM 0 HE ARG A 73 -40.538 14.652 -15.525 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -40.483 17.289 -15.119 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -41.197 17.652 -13.544 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -40.847 14.383 -12.354 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -41.401 16.022 -11.993 1.00 0.00 H new ATOM 602 N ASN A 74 -34.790 10.475 -16.608 1.00 0.00 N ATOM 603 CA ASN A 74 -33.587 9.657 -16.286 1.00 0.00 C ATOM 604 C ASN A 74 -33.501 9.446 -14.773 1.00 0.00 C ATOM 605 O ASN A 74 -32.440 9.524 -14.185 1.00 0.00 O ATOM 606 CB ASN A 74 -32.330 10.385 -16.770 1.00 0.00 C ATOM 607 CG ASN A 74 -32.421 10.620 -18.279 1.00 0.00 C ATOM 608 OD1 ASN A 74 -33.243 10.027 -18.950 1.00 0.00 O ATOM 609 ND2 ASN A 74 -31.607 11.469 -18.845 1.00 0.00 N ATOM 0 H ASN A 74 -35.494 10.006 -17.178 1.00 0.00 H new ATOM 0 HA ASN A 74 -33.663 8.690 -16.784 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.226 11.337 -16.249 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -31.444 9.795 -16.537 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -31.661 11.635 -19.850 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -30.917 11.967 -18.282 1.00 0.00 H new ATOM 616 N CYS A 75 -34.609 9.179 -14.136 1.00 0.00 N ATOM 617 CA CYS A 75 -34.587 8.964 -12.661 1.00 0.00 C ATOM 618 C CYS A 75 -35.563 7.843 -12.292 1.00 0.00 C ATOM 619 O CYS A 75 -36.479 7.539 -13.027 1.00 0.00 O ATOM 620 CB CYS A 75 -35.000 10.255 -11.952 1.00 0.00 C ATOM 621 SG CYS A 75 -34.274 11.673 -12.811 1.00 0.00 S ATOM 0 H CYS A 75 -35.527 9.101 -14.573 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.580 8.684 -12.350 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -36.086 10.343 -11.937 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -34.667 10.235 -10.914 1.00 0.00 H new ATOM 0 HG CYS A 75 -32.989 11.506 -12.915 1.00 0.00 H new ATOM 627 N ALA A 76 -35.371 7.226 -11.157 1.00 0.00 N ATOM 628 CA ALA A 76 -36.289 6.127 -10.741 1.00 0.00 C ATOM 629 C ALA A 76 -36.444 6.138 -9.219 1.00 0.00 C ATOM 630 O ALA A 76 -35.571 6.580 -8.500 1.00 0.00 O ATOM 631 CB ALA A 76 -35.704 4.784 -11.185 1.00 0.00 C ATOM 0 H ALA A 76 -34.619 7.435 -10.501 1.00 0.00 H new ATOM 0 HA ALA A 76 -37.265 6.272 -11.204 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -36.373 3.978 -10.882 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.593 4.776 -12.269 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.729 4.640 -10.720 1.00 0.00 H new ATOM 637 N PHE A 77 -37.551 5.653 -8.722 1.00 0.00 N ATOM 638 CA PHE A 77 -37.760 5.637 -7.246 1.00 0.00 C ATOM 639 C PHE A 77 -38.028 4.203 -6.782 1.00 0.00 C ATOM 640 O PHE A 77 -39.060 3.630 -7.070 1.00 0.00 O ATOM 641 CB PHE A 77 -38.959 6.517 -6.891 1.00 0.00 C ATOM 642 CG PHE A 77 -38.702 7.930 -7.356 1.00 0.00 C ATOM 643 CD1 PHE A 77 -39.006 8.299 -8.672 1.00 0.00 C ATOM 644 CD2 PHE A 77 -38.161 8.871 -6.472 1.00 0.00 C ATOM 645 CE1 PHE A 77 -38.767 9.610 -9.103 1.00 0.00 C ATOM 646 CE2 PHE A 77 -37.923 10.182 -6.903 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.226 10.551 -8.218 1.00 0.00 C ATOM 0 H PHE A 77 -38.318 5.268 -9.274 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.867 6.019 -6.750 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.862 6.127 -7.361 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -39.128 6.502 -5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -39.424 7.574 -9.354 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -37.927 8.586 -5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -39.000 9.895 -10.118 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -37.506 10.908 -6.221 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.043 11.562 -8.551 1.00 0.00 H new ATOM 657 N VAL A 78 -37.108 3.622 -6.064 1.00 0.00 N ATOM 658 CA VAL A 78 -37.308 2.227 -5.581 1.00 0.00 C ATOM 659 C VAL A 78 -37.730 2.253 -4.110 1.00 0.00 C ATOM 660 O VAL A 78 -37.186 2.989 -3.312 1.00 0.00 O ATOM 661 CB VAL A 78 -35.997 1.455 -5.725 1.00 0.00 C ATOM 662 CG1 VAL A 78 -34.967 2.008 -4.739 1.00 0.00 C ATOM 663 CG2 VAL A 78 -36.240 -0.028 -5.432 1.00 0.00 C ATOM 0 H VAL A 78 -36.225 4.053 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 78 -38.086 1.741 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 78 -35.622 1.566 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.032 1.457 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -34.792 3.063 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.342 1.899 -3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -35.304 -0.577 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -36.617 -0.141 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -36.972 -0.423 -6.137 1.00 0.00 H new ATOM 673 N THR A 79 -38.695 1.457 -3.742 1.00 0.00 N ATOM 674 CA THR A 79 -39.145 1.444 -2.321 1.00 0.00 C ATOM 675 C THR A 79 -38.594 0.202 -1.618 1.00 0.00 C ATOM 676 O THR A 79 -38.752 -0.908 -2.085 1.00 0.00 O ATOM 677 CB THR A 79 -40.674 1.422 -2.268 1.00 0.00 C ATOM 678 OG1 THR A 79 -41.187 2.514 -3.017 1.00 0.00 O ATOM 679 CG2 THR A 79 -41.134 1.536 -0.815 1.00 0.00 C ATOM 0 H THR A 79 -39.191 0.816 -4.362 1.00 0.00 H new ATOM 0 HA THR A 79 -38.776 2.338 -1.819 1.00 0.00 H new ATOM 0 HB THR A 79 -41.041 0.487 -2.691 1.00 0.00 H new ATOM 0 HG1 THR A 79 -41.187 2.286 -3.970 1.00 0.00 H new ATOM 0 HG21 THR A 79 -42.223 1.520 -0.776 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.738 0.698 -0.241 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.769 2.471 -0.390 1.00 0.00 H new ATOM 687 N TYR A 80 -37.951 0.381 -0.496 1.00 0.00 N ATOM 688 CA TYR A 80 -37.393 -0.788 0.239 1.00 0.00 C ATOM 689 C TYR A 80 -38.236 -1.052 1.489 1.00 0.00 C ATOM 690 O TYR A 80 -38.715 -0.137 2.130 1.00 0.00 O ATOM 691 CB TYR A 80 -35.950 -0.494 0.657 1.00 0.00 C ATOM 692 CG TYR A 80 -34.998 -0.988 -0.408 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.203 -2.236 -1.012 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.909 -0.196 -0.792 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.320 -2.689 -1.997 1.00 0.00 C ATOM 696 CE2 TYR A 80 -33.026 -0.650 -1.778 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.231 -1.897 -2.381 1.00 0.00 C ATOM 698 OH TYR A 80 -32.361 -2.344 -3.353 1.00 0.00 O ATOM 0 H TYR A 80 -37.788 1.287 -0.057 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.412 -1.664 -0.410 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.817 0.577 0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.731 -0.980 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -36.043 -2.848 -0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.750 0.766 -0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.478 -3.651 -2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.186 -0.039 -2.074 1.00 0.00 H new ATOM 0 HH TYR A 80 -31.911 -1.578 -3.767 1.00 0.00 H new ATOM 708 N GLU A 81 -38.421 -2.294 1.842 1.00 0.00 N ATOM 709 CA GLU A 81 -39.232 -2.612 3.050 1.00 0.00 C ATOM 710 C GLU A 81 -38.502 -2.116 4.301 1.00 0.00 C ATOM 711 O GLU A 81 -39.114 -1.722 5.273 1.00 0.00 O ATOM 712 CB GLU A 81 -39.433 -4.126 3.144 1.00 0.00 C ATOM 713 CG GLU A 81 -40.447 -4.572 2.089 1.00 0.00 C ATOM 714 CD GLU A 81 -40.715 -6.070 2.240 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.092 -6.680 3.095 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.538 -6.583 1.500 1.00 0.00 O ATOM 0 H GLU A 81 -38.045 -3.102 1.346 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.202 -2.120 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -38.484 -4.640 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -39.785 -4.396 4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -41.376 -4.012 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -40.066 -4.359 1.090 1.00 0.00 H new ATOM 723 N LYS A 82 -37.196 -2.132 4.282 1.00 0.00 N ATOM 724 CA LYS A 82 -36.429 -1.660 5.470 1.00 0.00 C ATOM 725 C LYS A 82 -35.588 -0.442 5.082 1.00 0.00 C ATOM 726 O LYS A 82 -35.014 -0.388 4.013 1.00 0.00 O ATOM 727 CB LYS A 82 -35.507 -2.779 5.959 1.00 0.00 C ATOM 728 CG LYS A 82 -36.350 -3.955 6.457 1.00 0.00 C ATOM 729 CD LYS A 82 -35.428 -5.096 6.892 1.00 0.00 C ATOM 730 CE LYS A 82 -34.659 -4.680 8.147 1.00 0.00 C ATOM 731 NZ LYS A 82 -34.202 -5.898 8.875 1.00 0.00 N ATOM 0 H LYS A 82 -36.629 -2.451 3.497 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.123 -1.386 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -34.852 -3.104 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.866 -2.412 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -36.975 -3.640 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -37.020 -4.296 5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -36.013 -5.994 7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -34.731 -5.341 6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -33.803 -4.063 7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -35.295 -4.074 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -33.679 -5.616 9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -35.027 -6.470 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -33.581 -6.459 8.258 1.00 0.00 H new ATOM 745 N MET A 83 -35.512 0.536 5.942 1.00 0.00 N ATOM 746 CA MET A 83 -34.708 1.749 5.622 1.00 0.00 C ATOM 747 C MET A 83 -33.238 1.358 5.450 1.00 0.00 C ATOM 748 O MET A 83 -32.515 1.951 4.675 1.00 0.00 O ATOM 749 CB MET A 83 -34.836 2.761 6.763 1.00 0.00 C ATOM 750 CG MET A 83 -36.286 3.237 6.861 1.00 0.00 C ATOM 751 SD MET A 83 -36.405 4.557 8.094 1.00 0.00 S ATOM 752 CE MET A 83 -35.623 5.859 7.109 1.00 0.00 C ATOM 0 H MET A 83 -35.972 0.548 6.852 1.00 0.00 H new ATOM 0 HA MET A 83 -35.076 2.194 4.697 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.527 2.306 7.704 1.00 0.00 H new ATOM 0 HB3 MET A 83 -34.174 3.609 6.587 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.628 3.599 5.891 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.935 2.406 7.138 1.00 0.00 H new ATOM 0 HE1 MET A 83 -34.930 6.422 7.735 1.00 0.00 H new ATOM 0 HE2 MET A 83 -35.079 5.410 6.278 1.00 0.00 H new ATOM 0 HE3 MET A 83 -36.389 6.530 6.720 1.00 0.00 H new ATOM 762 N GLU A 84 -32.792 0.364 6.167 1.00 0.00 N ATOM 763 CA GLU A 84 -31.370 -0.064 6.046 1.00 0.00 C ATOM 764 C GLU A 84 -31.114 -0.587 4.631 1.00 0.00 C ATOM 765 O GLU A 84 -30.006 -0.547 4.134 1.00 0.00 O ATOM 766 CB GLU A 84 -31.083 -1.173 7.060 1.00 0.00 C ATOM 767 CG GLU A 84 -31.233 -0.617 8.478 1.00 0.00 C ATOM 768 CD GLU A 84 -30.265 0.552 8.672 1.00 0.00 C ATOM 769 OE1 GLU A 84 -29.345 0.672 7.879 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.461 1.309 9.609 1.00 0.00 O ATOM 0 H GLU A 84 -33.351 -0.171 6.832 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.716 0.786 6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.770 -2.005 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -30.075 -1.562 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -32.258 -0.286 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -31.028 -1.398 9.210 1.00 0.00 H new ATOM 777 N SER A 85 -32.131 -1.080 3.978 1.00 0.00 N ATOM 778 CA SER A 85 -31.946 -1.605 2.596 1.00 0.00 C ATOM 779 C SER A 85 -31.621 -0.449 1.649 1.00 0.00 C ATOM 780 O SER A 85 -30.881 -0.601 0.698 1.00 0.00 O ATOM 781 CB SER A 85 -33.231 -2.295 2.135 1.00 0.00 C ATOM 782 OG SER A 85 -33.613 -3.272 3.093 1.00 0.00 O ATOM 0 H SER A 85 -33.082 -1.142 4.342 1.00 0.00 H new ATOM 0 HA SER A 85 -31.125 -2.322 2.588 1.00 0.00 H new ATOM 0 HB2 SER A 85 -34.027 -1.560 2.012 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.076 -2.764 1.163 1.00 0.00 H new ATOM 0 HG SER A 85 -34.437 -3.714 2.799 1.00 0.00 H new ATOM 788 N ALA A 86 -32.169 0.707 1.903 1.00 0.00 N ATOM 789 CA ALA A 86 -31.892 1.873 1.018 1.00 0.00 C ATOM 790 C ALA A 86 -30.488 2.407 1.305 1.00 0.00 C ATOM 791 O ALA A 86 -29.752 2.759 0.405 1.00 0.00 O ATOM 792 CB ALA A 86 -32.923 2.972 1.286 1.00 0.00 C ATOM 0 H ALA A 86 -32.797 0.895 2.685 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.956 1.563 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.721 3.826 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.923 2.590 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.860 3.284 2.329 1.00 0.00 H new ATOM 798 N ASP A 87 -30.110 2.472 2.553 1.00 0.00 N ATOM 799 CA ASP A 87 -28.753 2.983 2.893 1.00 0.00 C ATOM 800 C ASP A 87 -27.697 1.991 2.404 1.00 0.00 C ATOM 801 O ASP A 87 -26.650 2.371 1.919 1.00 0.00 O ATOM 802 CB ASP A 87 -28.633 3.148 4.409 1.00 0.00 C ATOM 803 CG ASP A 87 -29.611 4.223 4.886 1.00 0.00 C ATOM 804 OD1 ASP A 87 -30.108 4.957 4.048 1.00 0.00 O ATOM 805 OD2 ASP A 87 -29.849 4.291 6.081 1.00 0.00 O ATOM 0 H ASP A 87 -30.682 2.194 3.350 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.598 3.948 2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -28.846 2.202 4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -27.613 3.426 4.675 1.00 0.00 H new ATOM 810 N GLN A 88 -27.966 0.722 2.527 1.00 0.00 N ATOM 811 CA GLN A 88 -26.980 -0.297 2.070 1.00 0.00 C ATOM 812 C GLN A 88 -26.812 -0.196 0.554 1.00 0.00 C ATOM 813 O GLN A 88 -25.725 -0.332 0.029 1.00 0.00 O ATOM 814 CB GLN A 88 -27.480 -1.696 2.435 1.00 0.00 C ATOM 815 CG GLN A 88 -26.403 -2.728 2.094 1.00 0.00 C ATOM 816 CD GLN A 88 -25.249 -2.610 3.091 1.00 0.00 C ATOM 817 OE1 GLN A 88 -25.418 -2.867 4.267 1.00 0.00 O ATOM 818 NE2 GLN A 88 -24.074 -2.228 2.670 1.00 0.00 N ATOM 0 H GLN A 88 -28.827 0.345 2.925 1.00 0.00 H new ATOM 0 HA GLN A 88 -26.021 -0.118 2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.720 -1.742 3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.398 -1.919 1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.824 -3.733 2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -26.039 -2.567 1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -23.931 -2.012 1.683 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -23.299 -2.145 3.328 1.00 0.00 H new ATOM 827 N ALA A 89 -27.880 0.046 -0.153 1.00 0.00 N ATOM 828 CA ALA A 89 -27.783 0.159 -1.634 1.00 0.00 C ATOM 829 C ALA A 89 -27.105 1.480 -1.997 1.00 0.00 C ATOM 830 O ALA A 89 -26.359 1.566 -2.952 1.00 0.00 O ATOM 831 CB ALA A 89 -29.186 0.121 -2.243 1.00 0.00 C ATOM 0 H ALA A 89 -28.817 0.170 0.231 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.197 -0.672 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.114 0.204 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.670 -0.820 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.774 0.952 -1.854 1.00 0.00 H new ATOM 837 N VAL A 90 -27.358 2.513 -1.240 1.00 0.00 N ATOM 838 CA VAL A 90 -26.728 3.829 -1.541 1.00 0.00 C ATOM 839 C VAL A 90 -25.212 3.721 -1.373 1.00 0.00 C ATOM 840 O VAL A 90 -24.455 4.422 -2.014 1.00 0.00 O ATOM 841 CB VAL A 90 -27.271 4.886 -0.577 1.00 0.00 C ATOM 842 CG1 VAL A 90 -26.541 6.212 -0.808 1.00 0.00 C ATOM 843 CG2 VAL A 90 -28.769 5.081 -0.823 1.00 0.00 C ATOM 0 H VAL A 90 -27.973 2.502 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 90 -26.961 4.116 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.111 4.556 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -26.928 6.965 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -25.474 6.075 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -26.701 6.541 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.156 5.834 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -28.929 5.410 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.290 4.138 -0.659 1.00 0.00 H new ATOM 853 N ALA A 91 -24.760 2.850 -0.513 1.00 0.00 N ATOM 854 CA ALA A 91 -23.292 2.702 -0.305 1.00 0.00 C ATOM 855 C ALA A 91 -22.697 1.839 -1.421 1.00 0.00 C ATOM 856 O ALA A 91 -21.605 2.085 -1.891 1.00 0.00 O ATOM 857 CB ALA A 91 -23.033 2.034 1.047 1.00 0.00 C ATOM 0 H ALA A 91 -25.343 2.235 0.054 1.00 0.00 H new ATOM 0 HA ALA A 91 -22.825 3.687 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -21.959 1.926 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -23.452 2.649 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.503 1.051 1.063 1.00 0.00 H new ATOM 863 N GLU A 92 -23.403 0.826 -1.844 1.00 0.00 N ATOM 864 CA GLU A 92 -22.870 -0.052 -2.925 1.00 0.00 C ATOM 865 C GLU A 92 -23.346 0.454 -4.289 1.00 0.00 C ATOM 866 O GLU A 92 -22.565 0.613 -5.206 1.00 0.00 O ATOM 867 CB GLU A 92 -23.368 -1.482 -2.711 1.00 0.00 C ATOM 868 CG GLU A 92 -22.721 -2.068 -1.454 1.00 0.00 C ATOM 869 CD GLU A 92 -23.144 -3.530 -1.296 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.945 -3.984 -2.097 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.659 -4.172 -0.380 1.00 0.00 O ATOM 0 H GLU A 92 -24.324 0.569 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.781 -0.035 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.453 -1.489 -2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -23.124 -2.096 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -21.636 -1.998 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.021 -1.495 -0.577 1.00 0.00 H new ATOM 878 N LEU A 93 -24.618 0.703 -4.434 1.00 0.00 N ATOM 879 CA LEU A 93 -25.136 1.192 -5.744 1.00 0.00 C ATOM 880 C LEU A 93 -24.468 2.522 -6.098 1.00 0.00 C ATOM 881 O LEU A 93 -24.174 2.794 -7.246 1.00 0.00 O ATOM 882 CB LEU A 93 -26.651 1.389 -5.657 1.00 0.00 C ATOM 883 CG LEU A 93 -27.315 0.062 -5.283 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.832 0.196 -5.412 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.820 -1.038 -6.225 1.00 0.00 C ATOM 0 H LEU A 93 -25.321 0.589 -3.704 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.910 0.457 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.888 2.149 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -27.038 1.746 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 93 -27.059 -0.195 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -29.305 -0.749 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.186 0.980 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -29.088 0.453 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -27.292 -1.984 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -27.077 -0.780 -7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.738 -1.135 -6.135 1.00 0.00 H new ATOM 897 N ASN A 94 -24.225 3.354 -5.123 1.00 0.00 N ATOM 898 CA ASN A 94 -23.576 4.664 -5.409 1.00 0.00 C ATOM 899 C ASN A 94 -22.103 4.437 -5.755 1.00 0.00 C ATOM 900 O ASN A 94 -21.370 3.817 -5.012 1.00 0.00 O ATOM 901 CB ASN A 94 -23.678 5.565 -4.176 1.00 0.00 C ATOM 902 CG ASN A 94 -23.317 7.001 -4.561 1.00 0.00 C ATOM 903 OD1 ASN A 94 -23.287 7.340 -5.727 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.041 7.864 -3.622 1.00 0.00 N ATOM 0 H ASN A 94 -24.447 3.184 -4.142 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.078 5.143 -6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -24.689 5.530 -3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.007 5.207 -3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -22.800 8.824 -3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -23.067 7.578 -2.643 1.00 0.00 H new ATOM 911 N GLY A 95 -21.666 4.933 -6.880 1.00 0.00 N ATOM 912 CA GLY A 95 -20.241 4.742 -7.273 1.00 0.00 C ATOM 913 C GLY A 95 -20.093 3.422 -8.031 1.00 0.00 C ATOM 914 O GLY A 95 -19.185 2.652 -7.786 1.00 0.00 O ATOM 0 H GLY A 95 -22.233 5.461 -7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.911 5.572 -7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.606 4.738 -6.387 1.00 0.00 H new ATOM 918 N THR A 96 -20.978 3.154 -8.952 1.00 0.00 N ATOM 919 CA THR A 96 -20.887 1.884 -9.727 1.00 0.00 C ATOM 920 C THR A 96 -20.981 2.193 -11.222 1.00 0.00 C ATOM 921 O THR A 96 -21.421 3.253 -11.620 1.00 0.00 O ATOM 922 CB THR A 96 -22.035 0.956 -9.324 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.266 1.507 -9.772 1.00 0.00 O ATOM 924 CG2 THR A 96 -22.065 0.808 -7.802 1.00 0.00 C ATOM 0 H THR A 96 -21.760 3.759 -9.201 1.00 0.00 H new ATOM 0 HA THR A 96 -19.936 1.396 -9.515 1.00 0.00 H new ATOM 0 HB THR A 96 -21.887 -0.024 -9.779 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.702 1.978 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.883 0.147 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.121 0.386 -7.459 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.213 1.786 -7.344 1.00 0.00 H new ATOM 932 N GLN A 97 -20.571 1.275 -12.055 1.00 0.00 N ATOM 933 CA GLN A 97 -20.638 1.519 -13.523 1.00 0.00 C ATOM 934 C GLN A 97 -21.309 0.328 -14.209 1.00 0.00 C ATOM 935 O GLN A 97 -21.339 -0.768 -13.686 1.00 0.00 O ATOM 936 CB GLN A 97 -19.221 1.693 -14.075 1.00 0.00 C ATOM 937 CG GLN A 97 -19.293 2.039 -15.563 1.00 0.00 C ATOM 938 CD GLN A 97 -17.878 2.252 -16.106 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.924 2.281 -15.353 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.701 2.403 -17.390 1.00 0.00 N ATOM 0 H GLN A 97 -20.193 0.368 -11.782 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.218 2.422 -13.715 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.702 2.483 -13.532 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.648 0.777 -13.931 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.787 1.236 -16.110 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.890 2.939 -15.710 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.502 2.379 -18.022 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.762 2.545 -17.762 1.00 0.00 H new ATOM 949 N VAL A 98 -21.850 0.536 -15.378 1.00 0.00 N ATOM 950 CA VAL A 98 -22.522 -0.583 -16.102 1.00 0.00 C ATOM 951 C VAL A 98 -21.682 -0.965 -17.321 1.00 0.00 C ATOM 952 O VAL A 98 -20.534 -0.582 -17.440 1.00 0.00 O ATOM 953 CB VAL A 98 -23.917 -0.148 -16.576 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.935 -1.233 -16.220 1.00 0.00 C ATOM 955 CG2 VAL A 98 -24.322 1.168 -15.903 1.00 0.00 C ATOM 0 H VAL A 98 -21.856 1.433 -15.864 1.00 0.00 H new ATOM 0 HA VAL A 98 -22.621 -1.434 -15.428 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.893 -0.001 -17.656 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.926 -0.926 -16.555 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -24.659 -2.166 -16.710 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.947 -1.380 -15.140 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -25.313 1.464 -16.249 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -24.340 1.033 -14.822 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.601 1.945 -16.160 1.00 0.00 H new ATOM 965 N GLU A 99 -22.242 -1.711 -18.233 1.00 0.00 N ATOM 966 CA GLU A 99 -21.469 -2.101 -19.444 1.00 0.00 C ATOM 967 C GLU A 99 -20.801 -0.855 -20.023 1.00 0.00 C ATOM 968 O GLU A 99 -19.795 -0.931 -20.700 1.00 0.00 O ATOM 969 CB GLU A 99 -22.414 -2.706 -20.485 1.00 0.00 C ATOM 970 CG GLU A 99 -23.067 -3.966 -19.913 1.00 0.00 C ATOM 971 CD GLU A 99 -23.971 -4.597 -20.973 1.00 0.00 C ATOM 972 OE1 GLU A 99 -24.196 -3.959 -21.988 1.00 0.00 O ATOM 973 OE2 GLU A 99 -24.422 -5.709 -20.753 1.00 0.00 O ATOM 0 H GLU A 99 -23.197 -2.066 -18.192 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.712 -2.839 -19.178 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -23.179 -1.981 -20.761 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.863 -2.950 -21.393 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -22.301 -4.677 -19.603 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -23.648 -3.716 -19.025 1.00 0.00 H new ATOM 980 N SER A 100 -21.356 0.296 -19.757 1.00 0.00 N ATOM 981 CA SER A 100 -20.759 1.555 -20.282 1.00 0.00 C ATOM 982 C SER A 100 -21.590 2.749 -19.807 1.00 0.00 C ATOM 983 O SER A 100 -21.740 3.731 -20.506 1.00 0.00 O ATOM 984 CB SER A 100 -20.746 1.518 -21.811 1.00 0.00 C ATOM 985 OG SER A 100 -19.442 1.826 -22.281 1.00 0.00 O ATOM 0 H SER A 100 -22.200 0.418 -19.197 1.00 0.00 H new ATOM 0 HA SER A 100 -19.738 1.653 -19.914 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.048 0.532 -22.164 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.466 2.233 -22.209 1.00 0.00 H new ATOM 0 HG SER A 100 -19.433 1.801 -23.261 1.00 0.00 H new ATOM 991 N VAL A 101 -22.133 2.670 -18.622 1.00 0.00 N ATOM 992 CA VAL A 101 -22.955 3.799 -18.103 1.00 0.00 C ATOM 993 C VAL A 101 -22.634 4.025 -16.623 1.00 0.00 C ATOM 994 O VAL A 101 -22.015 3.203 -15.979 1.00 0.00 O ATOM 995 CB VAL A 101 -24.439 3.457 -18.257 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.284 4.508 -17.536 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.807 3.438 -19.742 1.00 0.00 C ATOM 0 H VAL A 101 -22.043 1.873 -17.992 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.729 4.705 -18.665 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.632 2.476 -17.822 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.341 4.264 -17.646 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -25.023 4.521 -16.478 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.092 5.489 -17.969 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.864 3.194 -19.852 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.613 4.418 -20.177 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -24.206 2.688 -20.256 1.00 0.00 H new ATOM 1007 N GLN A 102 -23.054 5.134 -16.078 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.778 5.413 -14.641 1.00 0.00 C ATOM 1009 C GLN A 102 -24.103 5.545 -13.888 1.00 0.00 C ATOM 1010 O GLN A 102 -25.026 6.189 -14.346 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.987 6.717 -14.514 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.634 6.564 -15.212 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.858 7.880 -15.116 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -20.423 8.910 -14.805 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.579 7.888 -15.372 1.00 0.00 N ATOM 0 H GLN A 102 -23.577 5.860 -16.567 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.196 4.595 -14.217 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.547 7.539 -14.960 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.840 6.964 -13.463 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.063 5.759 -14.750 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.781 6.291 -16.257 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.106 7.023 -15.633 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.052 8.759 -15.311 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.207 4.939 -12.737 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.475 5.031 -11.960 1.00 0.00 C ATOM 1026 C LEU A 103 -25.249 5.887 -10.712 1.00 0.00 C ATOM 1027 O LEU A 103 -24.140 6.025 -10.235 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.919 3.628 -11.541 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.420 3.637 -11.244 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -28.093 2.479 -11.984 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.641 3.477 -9.738 1.00 0.00 C ATOM 0 H LEU A 103 -23.470 4.385 -12.302 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.247 5.488 -12.579 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.698 2.913 -12.334 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -25.365 3.307 -10.659 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.852 4.581 -11.577 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -29.162 2.485 -11.773 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -27.934 2.591 -13.057 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.662 1.535 -11.650 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.710 3.483 -9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -27.210 2.533 -9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.161 4.301 -9.210 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.292 6.461 -10.180 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.137 7.306 -8.963 1.00 0.00 C ATOM 1045 C LYS A 104 -27.314 7.053 -8.018 1.00 0.00 C ATOM 1046 O LYS A 104 -28.456 7.009 -8.432 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.114 8.782 -9.365 1.00 0.00 C ATOM 1048 CG LYS A 104 -24.828 9.079 -10.140 1.00 0.00 C ATOM 1049 CD LYS A 104 -24.789 10.562 -10.512 1.00 0.00 C ATOM 1050 CE LYS A 104 -23.656 10.808 -11.510 1.00 0.00 C ATOM 1051 NZ LYS A 104 -24.224 11.317 -12.791 1.00 0.00 N ATOM 0 H LYS A 104 -27.245 6.382 -10.535 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.204 7.053 -8.460 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -26.984 9.016 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.171 9.413 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -23.958 8.822 -9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -24.783 8.466 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.742 10.864 -10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -24.639 11.168 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -22.948 11.529 -11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -23.105 9.884 -11.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -23.454 11.484 -13.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -24.884 10.614 -13.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -24.731 12.208 -12.616 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.046 6.886 -6.753 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.151 6.635 -5.786 1.00 0.00 C ATOM 1067 C VAL A 105 -28.272 7.822 -4.828 1.00 0.00 C ATOM 1068 O VAL A 105 -27.287 8.373 -4.379 1.00 0.00 O ATOM 1069 CB VAL A 105 -27.849 5.364 -4.987 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.052 5.016 -4.108 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -27.572 4.211 -5.953 1.00 0.00 C ATOM 0 H VAL A 105 -26.111 6.912 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.088 6.511 -6.329 1.00 0.00 H new ATOM 0 HB VAL A 105 -26.975 5.529 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -28.837 4.111 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.250 5.838 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -29.926 4.850 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.357 3.305 -5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.446 4.046 -6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -26.715 4.459 -6.580 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.475 8.217 -4.510 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.660 9.367 -3.580 1.00 0.00 C ATOM 1083 C ASN A 106 -30.776 9.038 -2.585 1.00 0.00 C ATOM 1084 O ASN A 106 -31.448 8.033 -2.702 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.041 10.614 -4.379 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.890 10.994 -5.313 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -27.783 10.518 -5.157 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -29.105 11.838 -6.285 1.00 0.00 N ATOM 0 H ASN A 106 -30.337 7.793 -4.854 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.731 9.553 -3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.946 10.426 -4.957 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.261 11.439 -3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -28.344 12.097 -6.913 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -30.034 12.238 -6.417 1.00 0.00 H new ATOM 1095 N ILE A 107 -30.976 9.876 -1.605 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.048 9.606 -0.605 1.00 0.00 C ATOM 1097 C ILE A 107 -33.165 10.640 -0.759 1.00 0.00 C ATOM 1098 O ILE A 107 -32.925 11.831 -0.766 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.464 9.696 0.807 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.283 8.731 0.933 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.541 9.322 1.828 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.668 8.860 2.329 1.00 0.00 C ATOM 0 H ILE A 107 -30.445 10.734 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.452 8.607 -0.770 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.122 10.714 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.616 7.707 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.535 8.953 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.126 9.386 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.382 10.009 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -32.883 8.304 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -28.826 8.173 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.321 9.882 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.418 8.617 3.081 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.384 10.192 -0.882 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.518 11.148 -1.034 1.00 0.00 C ATOM 1116 C ALA A 108 -36.368 11.132 0.237 1.00 0.00 C ATOM 1117 O ALA A 108 -36.541 10.106 0.866 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.378 10.733 -2.229 1.00 0.00 C ATOM 0 H ALA A 108 -34.644 9.206 -0.884 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.129 12.153 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.207 11.432 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -35.771 10.742 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -36.769 9.729 -2.065 1.00 0.00 H new ATOM 1124 N ARG A 109 -36.901 12.259 0.622 1.00 0.00 N ATOM 1125 CA ARG A 109 -37.738 12.305 1.854 1.00 0.00 C ATOM 1126 C ARG A 109 -39.097 12.927 1.527 1.00 0.00 C ATOM 1127 O ARG A 109 -39.202 13.817 0.707 1.00 0.00 O ATOM 1128 CB ARG A 109 -37.032 13.151 2.916 1.00 0.00 C ATOM 1129 CG ARG A 109 -37.793 13.045 4.240 1.00 0.00 C ATOM 1130 CD ARG A 109 -37.088 13.892 5.301 1.00 0.00 C ATOM 1131 NE ARG A 109 -37.762 13.701 6.617 1.00 0.00 N ATOM 1132 CZ ARG A 109 -38.284 14.724 7.237 1.00 0.00 C ATOM 1133 NH1 ARG A 109 -38.975 15.608 6.570 1.00 0.00 N ATOM 1134 NH2 ARG A 109 -38.117 14.862 8.524 1.00 0.00 N ATOM 0 H ARG A 109 -36.793 13.150 0.137 1.00 0.00 H new ATOM 0 HA ARG A 109 -37.885 11.293 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -36.005 12.809 3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -36.983 14.191 2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -38.820 13.386 4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -37.841 12.005 4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -36.039 13.605 5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -37.112 14.944 5.017 1.00 0.00 H new ATOM 0 HE ARG A 109 -37.815 12.771 7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -39.107 15.499 5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -39.383 16.408 7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -37.578 14.170 9.045 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -38.525 15.662 9.008 1.00 0.00 H new ATOM 1148 N LYS A 110 -40.138 12.467 2.166 1.00 0.00 N ATOM 1149 CA LYS A 110 -41.490 13.033 1.894 1.00 0.00 C ATOM 1150 C LYS A 110 -41.719 14.251 2.789 1.00 0.00 C ATOM 1151 O LYS A 110 -41.454 14.221 3.974 1.00 0.00 O ATOM 1152 CB LYS A 110 -42.554 11.974 2.190 1.00 0.00 C ATOM 1153 CG LYS A 110 -42.417 10.820 1.195 1.00 0.00 C ATOM 1154 CD LYS A 110 -43.580 9.844 1.383 1.00 0.00 C ATOM 1155 CE LYS A 110 -43.363 8.615 0.496 1.00 0.00 C ATOM 1156 NZ LYS A 110 -43.092 9.053 -0.902 1.00 0.00 N ATOM 0 H LYS A 110 -40.111 11.724 2.864 1.00 0.00 H new ATOM 0 HA LYS A 110 -41.557 13.332 0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -42.441 11.605 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -43.549 12.413 2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -42.412 11.204 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -41.468 10.305 1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -43.651 9.543 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -44.521 10.330 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -42.527 8.025 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -44.244 7.974 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -43.294 8.270 -1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -43.699 9.865 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -42.094 9.330 -0.992 1.00 0.00 H new ATOM 1170 N GLN A 111 -42.208 15.326 2.233 1.00 0.00 N ATOM 1171 CA GLN A 111 -42.452 16.545 3.055 1.00 0.00 C ATOM 1172 C GLN A 111 -43.899 17.005 2.875 1.00 0.00 C ATOM 1173 O GLN A 111 -44.179 17.927 2.136 1.00 0.00 O ATOM 1174 CB GLN A 111 -41.503 17.659 2.607 1.00 0.00 C ATOM 1175 CG GLN A 111 -40.966 18.395 3.836 1.00 0.00 C ATOM 1176 CD GLN A 111 -39.553 18.905 3.548 1.00 0.00 C ATOM 1177 OE1 GLN A 111 -39.376 19.854 2.810 1.00 0.00 O ATOM 1178 NE2 GLN A 111 -38.533 18.311 4.103 1.00 0.00 N ATOM 0 H GLN A 111 -42.449 15.413 1.246 1.00 0.00 H new ATOM 0 HA GLN A 111 -42.274 16.315 4.106 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -40.678 17.239 2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -42.026 18.356 1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -41.621 19.229 4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -40.954 17.727 4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -38.682 17.514 4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -37.587 18.643 3.918 1.00 0.00 H new ATOM 1187 N PRO A 112 -44.836 16.345 3.573 1.00 0.00 N ATOM 1188 CA PRO A 112 -46.263 16.680 3.499 1.00 0.00 C ATOM 1189 C PRO A 112 -46.565 18.024 4.169 1.00 0.00 C ATOM 1190 O PRO A 112 -45.952 18.387 5.154 1.00 0.00 O ATOM 1191 CB PRO A 112 -46.937 15.548 4.272 1.00 0.00 C ATOM 1192 CG PRO A 112 -45.884 15.050 5.204 1.00 0.00 C ATOM 1193 CD PRO A 112 -44.574 15.220 4.487 1.00 0.00 C ATOM 0 HA PRO A 112 -46.609 16.775 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -47.811 15.905 4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -47.279 14.759 3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -45.893 15.613 6.137 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -46.054 14.004 5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -43.762 15.444 5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -44.291 14.318 3.945 1.00 0.00 H new ATOM 1201 N MET A 113 -47.503 18.763 3.645 1.00 0.00 N ATOM 1202 CA MET A 113 -47.840 20.081 4.252 1.00 0.00 C ATOM 1203 C MET A 113 -49.037 19.918 5.191 1.00 0.00 C ATOM 1204 O MET A 113 -50.162 19.766 4.758 1.00 0.00 O ATOM 1205 CB MET A 113 -48.191 21.078 3.146 1.00 0.00 C ATOM 1206 CG MET A 113 -46.973 21.291 2.245 1.00 0.00 C ATOM 1207 SD MET A 113 -47.329 22.599 1.047 1.00 0.00 S ATOM 1208 CE MET A 113 -47.307 23.984 2.210 1.00 0.00 C ATOM 0 H MET A 113 -48.051 18.511 2.822 1.00 0.00 H new ATOM 0 HA MET A 113 -46.984 20.451 4.815 1.00 0.00 H new ATOM 0 HB2 MET A 113 -49.030 20.705 2.559 1.00 0.00 H new ATOM 0 HB3 MET A 113 -48.504 22.026 3.583 1.00 0.00 H new ATOM 0 HG2 MET A 113 -46.105 21.561 2.847 1.00 0.00 H new ATOM 0 HG3 MET A 113 -46.725 20.365 1.726 1.00 0.00 H new ATOM 0 HE1 MET A 113 -46.994 24.890 1.691 1.00 0.00 H new ATOM 0 HE2 MET A 113 -48.305 24.129 2.623 1.00 0.00 H new ATOM 0 HE3 MET A 113 -46.608 23.769 3.018 1.00 0.00 H new TER 1218 MET A 113