USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=20 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 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 110 LYS NZ :NH3+ -118:sc= -2.35! (180deg=-2.54!) USER MOD Set 2.1: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 79 THR OG1 : rot 97:sc= 0.463 USER MOD Single : A 40 ASN : amide:sc= -5.03! C(o=-5!,f=-5.5!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -149:sc= -0.791 (180deg=-2.43!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 149:sc= -0.842 (180deg=-3.01!) USER MOD Single : A 74 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.006) USER MOD Single : A 75 CYS SG : rot 93:sc= -1.59 USER MOD Single : A 80 TYR OH : rot -27:sc= -4.83! USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00628) USER MOD Single : A 83 MET CE :methyl 153:sc= -0.244 (180deg=-1.31!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.076) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 96 THR OG1 : rot -99:sc= 0.422 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=-1.3!) USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= -0.0524 (180deg=-0.522) USER MOD Single : A 106 ASN : amide:sc= -1.58 K(o=-1.6,f=-3.4!) USER MOD Single : A 111 GLN : amide:sc= -0.0726 K(o=-0.073,f=-0.64) USER MOD Single : A 113 MET CE :methyl -150:sc= -0.278 (180deg=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 35 -49.230 0.482 11.955 1.00 0.00 N ATOM 2 CA ALA A 35 -49.390 -0.451 10.806 1.00 0.00 C ATOM 3 C ALA A 35 -48.730 0.152 9.564 1.00 0.00 C ATOM 4 O ALA A 35 -47.789 -0.397 9.022 1.00 0.00 O ATOM 5 CB ALA A 35 -50.879 -0.675 10.533 1.00 0.00 C ATOM 0 HA ALA A 35 -48.917 -1.404 11.044 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -50.996 -1.358 9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -51.350 -1.104 11.417 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -51.353 0.278 10.295 1.00 0.00 H new ATOM 11 N PRO A 36 -49.236 1.308 9.109 1.00 0.00 N ATOM 12 CA PRO A 36 -48.701 1.998 7.929 1.00 0.00 C ATOM 13 C PRO A 36 -47.314 2.588 8.196 1.00 0.00 C ATOM 14 O PRO A 36 -47.054 3.131 9.251 1.00 0.00 O ATOM 15 CB PRO A 36 -49.709 3.120 7.685 1.00 0.00 C ATOM 16 CG PRO A 36 -50.331 3.364 9.018 1.00 0.00 C ATOM 17 CD PRO A 36 -50.370 2.030 9.710 1.00 0.00 C ATOM 0 HA PRO A 36 -48.579 1.325 7.081 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -49.219 4.017 7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -50.456 2.828 6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -49.750 4.085 9.593 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -51.334 3.777 8.910 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -50.256 2.132 10.789 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -51.314 1.513 9.537 1.00 0.00 H new ATOM 25 N ARG A 37 -46.422 2.486 7.249 1.00 0.00 N ATOM 26 CA ARG A 37 -45.055 3.040 7.451 1.00 0.00 C ATOM 27 C ARG A 37 -44.684 3.929 6.262 1.00 0.00 C ATOM 28 O ARG A 37 -45.025 3.643 5.131 1.00 0.00 O ATOM 29 CB ARG A 37 -44.051 1.891 7.563 1.00 0.00 C ATOM 30 CG ARG A 37 -44.389 1.039 8.788 1.00 0.00 C ATOM 31 CD ARG A 37 -43.390 -0.115 8.898 1.00 0.00 C ATOM 32 NE ARG A 37 -43.366 -0.876 7.618 1.00 0.00 N ATOM 33 CZ ARG A 37 -42.535 -1.869 7.464 1.00 0.00 C ATOM 34 NH1 ARG A 37 -42.979 -3.097 7.462 1.00 0.00 N ATOM 35 NH2 ARG A 37 -41.260 -1.637 7.313 1.00 0.00 N ATOM 0 H ARG A 37 -46.582 2.043 6.344 1.00 0.00 H new ATOM 0 HA ARG A 37 -45.034 3.631 8.366 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -44.080 1.279 6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -43.038 2.285 7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -44.356 1.650 9.690 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -45.403 0.649 8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -42.396 0.271 9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -43.669 -0.774 9.720 1.00 0.00 H new ATOM 0 HE ARG A 37 -44.000 -0.620 6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -43.976 -3.279 7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -42.329 -3.874 7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -40.912 -0.678 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -40.611 -2.415 7.193 1.00 0.00 H new ATOM 49 N LYS A 38 -43.989 5.005 6.508 1.00 0.00 N ATOM 50 CA LYS A 38 -43.599 5.912 5.392 1.00 0.00 C ATOM 51 C LYS A 38 -42.776 5.134 4.364 1.00 0.00 C ATOM 52 O LYS A 38 -42.762 5.457 3.193 1.00 0.00 O ATOM 53 CB LYS A 38 -42.765 7.069 5.945 1.00 0.00 C ATOM 54 CG LYS A 38 -43.624 7.905 6.897 1.00 0.00 C ATOM 55 CD LYS A 38 -42.828 9.124 7.366 1.00 0.00 C ATOM 56 CE LYS A 38 -43.629 9.877 8.432 1.00 0.00 C ATOM 57 NZ LYS A 38 -43.802 11.296 8.011 1.00 0.00 N ATOM 0 H LYS A 38 -43.674 5.296 7.434 1.00 0.00 H new ATOM 0 HA LYS A 38 -44.496 6.306 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -41.891 6.683 6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -42.398 7.690 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -44.537 8.225 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -43.926 7.303 7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -41.867 8.810 7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -42.618 9.781 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -44.602 9.406 8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -43.112 9.831 9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -44.346 11.809 8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -42.869 11.741 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -44.312 11.330 7.105 1.00 0.00 H new ATOM 71 N GLY A 39 -42.089 4.109 4.791 1.00 0.00 N ATOM 72 CA GLY A 39 -41.269 3.313 3.836 1.00 0.00 C ATOM 73 C GLY A 39 -39.932 4.017 3.599 1.00 0.00 C ATOM 74 O GLY A 39 -39.439 4.736 4.445 1.00 0.00 O ATOM 0 H GLY A 39 -42.061 3.789 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -41.099 2.312 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -41.802 3.196 2.893 1.00 0.00 H new ATOM 78 N ASN A 40 -39.340 3.817 2.452 1.00 0.00 N ATOM 79 CA ASN A 40 -38.035 4.476 2.161 1.00 0.00 C ATOM 80 C ASN A 40 -37.780 4.456 0.652 1.00 0.00 C ATOM 81 O ASN A 40 -37.208 3.523 0.123 1.00 0.00 O ATOM 82 CB ASN A 40 -36.912 3.724 2.878 1.00 0.00 C ATOM 83 CG ASN A 40 -35.614 4.527 2.775 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.537 5.487 2.033 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.584 4.173 3.492 1.00 0.00 N ATOM 0 H ASN A 40 -39.704 3.226 1.705 1.00 0.00 H new ATOM 0 HA ASN A 40 -38.062 5.508 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -37.174 3.569 3.925 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.778 2.738 2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.714 4.702 3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.649 3.368 4.115 1.00 0.00 H new ATOM 92 N THR A 41 -38.197 5.478 -0.044 1.00 0.00 N ATOM 93 CA THR A 41 -37.976 5.516 -1.517 1.00 0.00 C ATOM 94 C THR A 41 -36.537 5.950 -1.805 1.00 0.00 C ATOM 95 O THR A 41 -36.000 6.824 -1.154 1.00 0.00 O ATOM 96 CB THR A 41 -38.947 6.513 -2.153 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.277 6.179 -1.781 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.811 6.460 -3.676 1.00 0.00 C ATOM 0 H THR A 41 -38.681 6.288 0.344 1.00 0.00 H new ATOM 0 HA THR A 41 -38.148 4.525 -1.936 1.00 0.00 H new ATOM 0 HB THR A 41 -38.715 7.520 -1.806 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.900 6.818 -2.186 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.503 7.170 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.790 6.717 -3.959 1.00 0.00 H new ATOM 0 HG23 THR A 41 -39.043 5.454 -4.027 1.00 0.00 H new ATOM 106 N LEU A 42 -35.908 5.346 -2.777 1.00 0.00 N ATOM 107 CA LEU A 42 -34.505 5.725 -3.104 1.00 0.00 C ATOM 108 C LEU A 42 -34.465 6.410 -4.472 1.00 0.00 C ATOM 109 O LEU A 42 -35.200 6.059 -5.374 1.00 0.00 O ATOM 110 CB LEU A 42 -33.633 4.468 -3.137 1.00 0.00 C ATOM 111 CG LEU A 42 -33.626 3.820 -1.751 1.00 0.00 C ATOM 112 CD1 LEU A 42 -34.713 2.746 -1.686 1.00 0.00 C ATOM 113 CD2 LEU A 42 -32.260 3.182 -1.494 1.00 0.00 C ATOM 0 H LEU A 42 -36.305 4.607 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.128 6.410 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -34.016 3.766 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.617 4.724 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 42 -33.820 4.579 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -34.709 2.284 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -35.686 3.202 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -34.520 1.986 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -32.254 2.720 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.065 2.423 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -31.486 3.948 -1.541 1.00 0.00 H new ATOM 125 N TYR A 43 -33.614 7.386 -4.633 1.00 0.00 N ATOM 126 CA TYR A 43 -33.529 8.094 -5.942 1.00 0.00 C ATOM 127 C TYR A 43 -32.434 7.457 -6.801 1.00 0.00 C ATOM 128 O TYR A 43 -31.279 7.424 -6.427 1.00 0.00 O ATOM 129 CB TYR A 43 -33.195 9.568 -5.702 1.00 0.00 C ATOM 130 CG TYR A 43 -33.203 10.307 -7.019 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.408 10.795 -7.540 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.007 10.505 -7.718 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.415 11.481 -8.761 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.014 11.191 -8.938 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.219 11.679 -9.459 1.00 0.00 C ATOM 136 OH TYR A 43 -33.226 12.355 -10.662 1.00 0.00 O ATOM 0 H TYR A 43 -32.974 7.724 -3.915 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.485 8.015 -6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -33.922 10.010 -5.020 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.217 9.658 -5.228 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.331 10.642 -7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.078 10.128 -7.316 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.344 11.857 -9.164 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.091 11.344 -9.477 1.00 0.00 H new ATOM 0 HH TYR A 43 -32.313 12.406 -11.014 1.00 0.00 H new ATOM 146 N VAL A 44 -32.789 6.951 -7.951 1.00 0.00 N ATOM 147 CA VAL A 44 -31.768 6.318 -8.834 1.00 0.00 C ATOM 148 C VAL A 44 -31.668 7.104 -10.143 1.00 0.00 C ATOM 149 O VAL A 44 -32.656 7.365 -10.798 1.00 0.00 O ATOM 150 CB VAL A 44 -32.179 4.874 -9.133 1.00 0.00 C ATOM 151 CG1 VAL A 44 -31.099 4.202 -9.985 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.342 4.107 -7.820 1.00 0.00 C ATOM 0 H VAL A 44 -33.741 6.949 -8.317 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.800 6.323 -8.334 1.00 0.00 H new ATOM 0 HB VAL A 44 -33.125 4.871 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.391 3.174 -10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.982 4.748 -10.921 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -30.153 4.206 -9.443 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.635 3.079 -8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.397 4.110 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -33.111 4.585 -7.213 1.00 0.00 H new ATOM 162 N TYR A 45 -30.479 7.483 -10.529 1.00 0.00 N ATOM 163 CA TYR A 45 -30.316 8.252 -11.795 1.00 0.00 C ATOM 164 C TYR A 45 -29.371 7.497 -12.733 1.00 0.00 C ATOM 165 O TYR A 45 -28.453 6.831 -12.297 1.00 0.00 O ATOM 166 CB TYR A 45 -29.729 9.629 -11.480 1.00 0.00 C ATOM 167 CG TYR A 45 -29.676 10.457 -12.742 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.840 11.061 -13.233 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.463 10.621 -13.421 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.792 11.828 -14.402 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.414 11.389 -14.591 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.578 11.993 -15.081 1.00 0.00 C ATOM 173 OH TYR A 45 -29.530 12.749 -16.234 1.00 0.00 O ATOM 0 H TYR A 45 -29.614 7.293 -10.022 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.287 8.371 -12.277 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.338 10.132 -10.728 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.729 9.522 -11.061 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.776 10.935 -12.709 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.565 10.155 -13.043 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.690 12.293 -14.781 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.478 11.515 -15.115 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.613 12.763 -16.578 1.00 0.00 H new ATOM 183 N GLY A 46 -29.587 7.597 -14.016 1.00 0.00 N ATOM 184 CA GLY A 46 -28.698 6.883 -14.976 1.00 0.00 C ATOM 185 C GLY A 46 -29.252 7.032 -16.395 1.00 0.00 C ATOM 186 O GLY A 46 -30.252 7.685 -16.618 1.00 0.00 O ATOM 0 H GLY A 46 -30.339 8.141 -14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.688 7.290 -14.924 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.631 5.828 -14.710 1.00 0.00 H new ATOM 190 N GLU A 47 -28.609 6.428 -17.357 1.00 0.00 N ATOM 191 CA GLU A 47 -29.097 6.533 -18.762 1.00 0.00 C ATOM 192 C GLU A 47 -29.539 5.153 -19.252 1.00 0.00 C ATOM 193 O GLU A 47 -29.014 4.139 -18.834 1.00 0.00 O ATOM 194 CB GLU A 47 -27.969 7.053 -19.657 1.00 0.00 C ATOM 195 CG GLU A 47 -27.556 8.452 -19.196 1.00 0.00 C ATOM 196 CD GLU A 47 -26.525 9.024 -20.171 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.090 8.289 -21.041 1.00 0.00 O ATOM 198 OE2 GLU A 47 -26.189 10.189 -20.030 1.00 0.00 O ATOM 0 H GLU A 47 -27.767 5.866 -17.231 1.00 0.00 H new ATOM 0 HA GLU A 47 -29.941 7.222 -18.803 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -27.115 6.377 -19.613 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -28.299 7.083 -20.695 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -28.428 9.104 -19.148 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.137 8.407 -18.191 1.00 0.00 H new ATOM 205 N ASP A 48 -30.500 5.104 -20.133 1.00 0.00 N ATOM 206 CA ASP A 48 -30.975 3.789 -20.647 1.00 0.00 C ATOM 207 C ASP A 48 -31.114 2.807 -19.482 1.00 0.00 C ATOM 208 O ASP A 48 -30.567 1.722 -19.503 1.00 0.00 O ATOM 209 CB ASP A 48 -29.964 3.241 -21.658 1.00 0.00 C ATOM 210 CG ASP A 48 -29.886 4.180 -22.862 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.774 5.006 -23.004 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.941 4.059 -23.624 1.00 0.00 O ATOM 0 H ASP A 48 -30.977 5.919 -20.519 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.942 3.916 -21.133 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.983 3.147 -21.193 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -30.261 2.243 -21.980 1.00 0.00 H new ATOM 217 N MET A 49 -31.840 3.179 -18.464 1.00 0.00 N ATOM 218 CA MET A 49 -32.012 2.268 -17.298 1.00 0.00 C ATOM 219 C MET A 49 -33.280 1.433 -17.482 1.00 0.00 C ATOM 220 O MET A 49 -34.298 1.921 -17.932 1.00 0.00 O ATOM 221 CB MET A 49 -32.128 3.096 -16.018 1.00 0.00 C ATOM 222 CG MET A 49 -30.811 3.835 -15.767 1.00 0.00 C ATOM 223 SD MET A 49 -30.896 4.698 -14.178 1.00 0.00 S ATOM 224 CE MET A 49 -32.355 5.703 -14.545 1.00 0.00 C ATOM 0 H MET A 49 -32.322 4.075 -18.389 1.00 0.00 H new ATOM 0 HA MET A 49 -31.150 1.605 -17.226 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.947 3.810 -16.107 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.361 2.448 -15.173 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.980 3.129 -15.766 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.623 4.547 -16.570 1.00 0.00 H new ATOM 0 HE1 MET A 49 -32.289 6.649 -14.008 1.00 0.00 H new ATOM 0 HE2 MET A 49 -32.404 5.896 -15.617 1.00 0.00 H new ATOM 0 HE3 MET A 49 -33.252 5.170 -14.231 1.00 0.00 H new ATOM 234 N THR A 50 -33.228 0.176 -17.135 1.00 0.00 N ATOM 235 CA THR A 50 -34.430 -0.693 -17.289 1.00 0.00 C ATOM 236 C THR A 50 -34.831 -1.250 -15.920 1.00 0.00 C ATOM 237 O THR A 50 -34.080 -1.175 -14.969 1.00 0.00 O ATOM 238 CB THR A 50 -34.103 -1.848 -18.238 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.739 -2.213 -18.085 1.00 0.00 O ATOM 240 CG2 THR A 50 -34.359 -1.410 -19.682 1.00 0.00 C ATOM 0 H THR A 50 -32.404 -0.287 -16.751 1.00 0.00 H new ATOM 0 HA THR A 50 -35.255 -0.110 -17.699 1.00 0.00 H new ATOM 0 HB THR A 50 -34.736 -2.704 -18.003 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.529 -2.954 -18.691 1.00 0.00 H new ATOM 0 HG21 THR A 50 -34.126 -2.232 -20.358 1.00 0.00 H new ATOM 0 HG22 THR A 50 -35.406 -1.131 -19.797 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.727 -0.554 -19.920 1.00 0.00 H new ATOM 248 N PRO A 51 -36.043 -1.817 -15.825 1.00 0.00 N ATOM 249 CA PRO A 51 -36.553 -2.388 -14.571 1.00 0.00 C ATOM 250 C PRO A 51 -35.797 -3.659 -14.172 1.00 0.00 C ATOM 251 O PRO A 51 -35.329 -3.790 -13.059 1.00 0.00 O ATOM 252 CB PRO A 51 -38.007 -2.726 -14.898 1.00 0.00 C ATOM 253 CG PRO A 51 -38.027 -2.907 -16.377 1.00 0.00 C ATOM 254 CD PRO A 51 -37.012 -1.947 -16.928 1.00 0.00 C ATOM 0 HA PRO A 51 -36.438 -1.700 -13.733 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.329 -3.631 -14.383 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.679 -1.926 -14.587 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -37.779 -3.934 -16.647 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -39.018 -2.701 -16.781 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.543 -2.332 -17.834 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.462 -0.988 -17.185 1.00 0.00 H new ATOM 262 N THR A 52 -35.672 -4.597 -15.071 1.00 0.00 N ATOM 263 CA THR A 52 -34.945 -5.854 -14.738 1.00 0.00 C ATOM 264 C THR A 52 -33.528 -5.514 -14.277 1.00 0.00 C ATOM 265 O THR A 52 -32.992 -6.127 -13.375 1.00 0.00 O ATOM 266 CB THR A 52 -34.883 -6.755 -15.973 1.00 0.00 C ATOM 267 OG1 THR A 52 -35.764 -6.251 -16.969 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.297 -8.176 -15.592 1.00 0.00 C ATOM 0 H THR A 52 -36.042 -4.547 -16.020 1.00 0.00 H new ATOM 0 HA THR A 52 -35.471 -6.377 -13.939 1.00 0.00 H new ATOM 0 HB THR A 52 -33.865 -6.770 -16.362 1.00 0.00 H new ATOM 0 HG1 THR A 52 -35.725 -6.826 -17.762 1.00 0.00 H new ATOM 0 HG21 THR A 52 -35.252 -8.817 -16.473 1.00 0.00 H new ATOM 0 HG22 THR A 52 -34.620 -8.560 -14.829 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.315 -8.166 -15.202 1.00 0.00 H new ATOM 276 N LEU A 53 -32.919 -4.535 -14.886 1.00 0.00 N ATOM 277 CA LEU A 53 -31.538 -4.150 -14.481 1.00 0.00 C ATOM 278 C LEU A 53 -31.578 -3.541 -13.080 1.00 0.00 C ATOM 279 O LEU A 53 -30.841 -3.936 -12.199 1.00 0.00 O ATOM 280 CB LEU A 53 -30.982 -3.124 -15.469 1.00 0.00 C ATOM 281 CG LEU A 53 -29.507 -2.863 -15.155 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.679 -4.092 -15.535 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.022 -1.653 -15.955 1.00 0.00 C ATOM 0 H LEU A 53 -33.318 -3.985 -15.647 1.00 0.00 H new ATOM 0 HA LEU A 53 -30.897 -5.032 -14.480 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.088 -3.491 -16.490 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.549 -2.195 -15.403 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.392 -2.664 -14.090 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.628 -3.906 -15.311 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.025 -4.954 -14.964 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -28.793 -4.293 -16.600 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.972 -1.467 -15.732 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.137 -1.852 -17.021 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.612 -0.777 -15.684 1.00 0.00 H new ATOM 295 N LEU A 54 -32.441 -2.585 -12.866 1.00 0.00 N ATOM 296 CA LEU A 54 -32.531 -1.954 -11.520 1.00 0.00 C ATOM 297 C LEU A 54 -32.955 -3.010 -10.498 1.00 0.00 C ATOM 298 O LEU A 54 -32.380 -3.124 -9.433 1.00 0.00 O ATOM 299 CB LEU A 54 -33.566 -0.828 -11.552 1.00 0.00 C ATOM 300 CG LEU A 54 -33.047 0.315 -12.428 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.193 0.863 -13.282 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.497 1.430 -11.538 1.00 0.00 C ATOM 0 H LEU A 54 -33.086 -2.215 -13.564 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.561 -1.543 -11.241 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.513 -1.200 -11.944 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.759 -0.468 -10.542 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.254 -0.056 -13.078 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.825 1.677 -13.906 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.586 0.069 -13.916 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.986 1.234 -12.632 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -32.127 2.244 -12.161 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.290 1.801 -10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.681 1.040 -10.929 1.00 0.00 H new ATOM 314 N ARG A 55 -33.955 -3.787 -10.814 1.00 0.00 N ATOM 315 CA ARG A 55 -34.409 -4.838 -9.861 1.00 0.00 C ATOM 316 C ARG A 55 -33.200 -5.652 -9.397 1.00 0.00 C ATOM 317 O ARG A 55 -33.097 -6.029 -8.248 1.00 0.00 O ATOM 318 CB ARG A 55 -35.411 -5.762 -10.556 1.00 0.00 C ATOM 319 CG ARG A 55 -35.924 -6.800 -9.554 1.00 0.00 C ATOM 320 CD ARG A 55 -36.802 -7.821 -10.280 1.00 0.00 C ATOM 321 NE ARG A 55 -37.938 -7.119 -10.941 1.00 0.00 N ATOM 322 CZ ARG A 55 -38.709 -7.764 -11.773 1.00 0.00 C ATOM 323 NH1 ARG A 55 -38.815 -9.062 -11.692 1.00 0.00 N ATOM 324 NH2 ARG A 55 -39.376 -7.112 -12.686 1.00 0.00 N ATOM 0 H ARG A 55 -34.476 -3.739 -11.690 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.888 -4.370 -9.001 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -36.243 -5.181 -10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -34.937 -6.260 -11.402 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -35.085 -7.303 -9.074 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.495 -6.309 -8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -36.213 -8.361 -11.022 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -37.179 -8.560 -9.573 1.00 0.00 H new ATOM 0 HE ARG A 55 -38.113 -6.134 -10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -38.295 -9.573 -10.978 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -39.418 -9.566 -12.342 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -39.295 -6.097 -12.750 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -39.978 -7.617 -13.336 1.00 0.00 H new ATOM 338 N GLY A 56 -32.281 -5.921 -10.285 1.00 0.00 N ATOM 339 CA GLY A 56 -31.077 -6.706 -9.894 1.00 0.00 C ATOM 340 C GLY A 56 -30.143 -5.822 -9.065 1.00 0.00 C ATOM 341 O GLY A 56 -29.417 -6.296 -8.213 1.00 0.00 O ATOM 0 H GLY A 56 -32.313 -5.631 -11.262 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.372 -7.583 -9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.560 -7.067 -10.783 1.00 0.00 H new ATOM 345 N ALA A 57 -30.157 -4.540 -9.305 1.00 0.00 N ATOM 346 CA ALA A 57 -29.273 -3.624 -8.530 1.00 0.00 C ATOM 347 C ALA A 57 -29.902 -3.349 -7.163 1.00 0.00 C ATOM 348 O ALA A 57 -29.274 -2.802 -6.278 1.00 0.00 O ATOM 349 CB ALA A 57 -29.110 -2.306 -9.290 1.00 0.00 C ATOM 0 H ALA A 57 -30.743 -4.086 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.296 -4.088 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.463 -1.636 -8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.664 -2.501 -10.265 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -30.086 -1.840 -9.424 1.00 0.00 H new ATOM 355 N PHE A 58 -31.138 -3.725 -6.983 1.00 0.00 N ATOM 356 CA PHE A 58 -31.811 -3.487 -5.675 1.00 0.00 C ATOM 357 C PHE A 58 -32.446 -4.791 -5.182 1.00 0.00 C ATOM 358 O PHE A 58 -33.026 -4.845 -4.116 1.00 0.00 O ATOM 359 CB PHE A 58 -32.899 -2.425 -5.851 1.00 0.00 C ATOM 360 CG PHE A 58 -32.256 -1.088 -6.132 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.965 -0.711 -7.450 1.00 0.00 C ATOM 362 CD2 PHE A 58 -31.952 -0.222 -5.074 1.00 0.00 C ATOM 363 CE1 PHE A 58 -31.370 0.529 -7.708 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.357 1.019 -5.333 1.00 0.00 C ATOM 365 CZ PHE A 58 -31.066 1.394 -6.650 1.00 0.00 C ATOM 0 H PHE A 58 -31.712 -4.188 -7.687 1.00 0.00 H new ATOM 0 HA PHE A 58 -31.078 -3.142 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.562 -2.701 -6.671 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.512 -2.364 -4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -32.200 -1.378 -8.267 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.177 -0.511 -4.058 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -31.145 0.819 -8.724 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.123 1.687 -4.517 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.607 2.351 -6.850 1.00 0.00 H new ATOM 375 N SER A 59 -32.342 -5.841 -5.950 1.00 0.00 N ATOM 376 CA SER A 59 -32.940 -7.139 -5.530 1.00 0.00 C ATOM 377 C SER A 59 -32.171 -7.703 -4.330 1.00 0.00 C ATOM 378 O SER A 59 -32.745 -7.991 -3.299 1.00 0.00 O ATOM 379 CB SER A 59 -32.866 -8.132 -6.691 1.00 0.00 C ATOM 380 OG SER A 59 -32.631 -9.437 -6.184 1.00 0.00 O ATOM 0 H SER A 59 -31.867 -5.855 -6.853 1.00 0.00 H new ATOM 0 HA SER A 59 -33.981 -6.980 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 59 -33.796 -8.113 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.068 -7.847 -7.376 1.00 0.00 H new ATOM 0 HG SER A 59 -32.585 -10.074 -6.928 1.00 0.00 H new ATOM 386 N PRO A 60 -30.846 -7.866 -4.470 1.00 0.00 N ATOM 387 CA PRO A 60 -29.998 -8.403 -3.396 1.00 0.00 C ATOM 388 C PRO A 60 -29.887 -7.434 -2.216 1.00 0.00 C ATOM 389 O PRO A 60 -29.610 -7.831 -1.101 1.00 0.00 O ATOM 390 CB PRO A 60 -28.635 -8.574 -4.067 1.00 0.00 C ATOM 391 CG PRO A 60 -28.647 -7.598 -5.194 1.00 0.00 C ATOM 392 CD PRO A 60 -30.066 -7.542 -5.680 1.00 0.00 C ATOM 0 HA PRO A 60 -30.401 -9.326 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.822 -8.367 -3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.495 -9.593 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.309 -6.616 -4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -27.974 -7.914 -5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.320 -6.557 -6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.247 -8.259 -6.480 1.00 0.00 H new ATOM 400 N PHE A 61 -30.100 -6.168 -2.448 1.00 0.00 N ATOM 401 CA PHE A 61 -30.006 -5.183 -1.336 1.00 0.00 C ATOM 402 C PHE A 61 -31.200 -5.361 -0.395 1.00 0.00 C ATOM 403 O PHE A 61 -31.185 -4.913 0.734 1.00 0.00 O ATOM 404 CB PHE A 61 -30.014 -3.764 -1.910 1.00 0.00 C ATOM 405 CG PHE A 61 -28.626 -3.410 -2.388 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.666 -2.955 -1.477 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.299 -3.538 -3.743 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.379 -2.628 -1.919 1.00 0.00 C ATOM 409 CE2 PHE A 61 -27.012 -3.211 -4.187 1.00 0.00 C ATOM 410 CZ PHE A 61 -26.052 -2.755 -3.275 1.00 0.00 C ATOM 0 H PHE A 61 -30.335 -5.774 -3.359 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.081 -5.345 -0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.723 -3.697 -2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.341 -3.054 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.919 -2.856 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.040 -3.889 -4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.639 -2.278 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.760 -3.310 -5.232 1.00 0.00 H new ATOM 0 HZ PHE A 61 -25.060 -2.501 -3.617 1.00 0.00 H new ATOM 420 N GLY A 62 -32.236 -6.015 -0.850 1.00 0.00 N ATOM 421 CA GLY A 62 -33.426 -6.221 0.022 1.00 0.00 C ATOM 422 C GLY A 62 -34.681 -6.350 -0.844 1.00 0.00 C ATOM 423 O GLY A 62 -34.634 -6.201 -2.049 1.00 0.00 O ATOM 0 H GLY A 62 -32.308 -6.414 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.295 -7.118 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.533 -5.384 0.712 1.00 0.00 H new ATOM 427 N ASN A 63 -35.804 -6.625 -0.239 1.00 0.00 N ATOM 428 CA ASN A 63 -37.062 -6.765 -1.026 1.00 0.00 C ATOM 429 C ASN A 63 -37.693 -5.386 -1.229 1.00 0.00 C ATOM 430 O ASN A 63 -37.725 -4.569 -0.331 1.00 0.00 O ATOM 431 CB ASN A 63 -38.041 -7.664 -0.267 1.00 0.00 C ATOM 432 CG ASN A 63 -37.401 -9.035 -0.040 1.00 0.00 C ATOM 433 OD1 ASN A 63 -37.451 -9.569 1.050 1.00 0.00 O ATOM 434 ND2 ASN A 63 -36.795 -9.631 -1.030 1.00 0.00 N ATOM 0 H ASN A 63 -35.905 -6.759 0.767 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.836 -7.209 -1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.303 -7.210 0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.966 -7.772 -0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -36.364 -10.544 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -36.753 -9.183 -1.946 1.00 0.00 H new ATOM 441 N ILE A 64 -38.196 -5.122 -2.404 1.00 0.00 N ATOM 442 CA ILE A 64 -38.824 -3.797 -2.663 1.00 0.00 C ATOM 443 C ILE A 64 -40.347 -3.938 -2.627 1.00 0.00 C ATOM 444 O ILE A 64 -40.922 -4.752 -3.323 1.00 0.00 O ATOM 445 CB ILE A 64 -38.392 -3.287 -4.040 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.864 -3.272 -4.123 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.927 -1.870 -4.251 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.434 -3.125 -5.585 1.00 0.00 C ATOM 0 H ILE A 64 -38.199 -5.766 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.506 -3.089 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.792 -3.945 -4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.465 -2.448 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.457 -4.192 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.619 -1.507 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -40.015 -1.880 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.528 -1.212 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.346 -3.114 -5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.821 -3.963 -6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.829 -2.193 -5.988 1.00 0.00 H new ATOM 460 N ILE A 65 -41.007 -3.152 -1.820 1.00 0.00 N ATOM 461 CA ILE A 65 -42.492 -3.243 -1.741 1.00 0.00 C ATOM 462 C ILE A 65 -43.108 -2.595 -2.982 1.00 0.00 C ATOM 463 O ILE A 65 -44.175 -2.971 -3.426 1.00 0.00 O ATOM 464 CB ILE A 65 -42.981 -2.514 -0.487 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.804 -1.006 -0.668 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.167 -2.980 0.722 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.434 -0.273 0.518 1.00 0.00 C ATOM 0 H ILE A 65 -40.582 -2.451 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.791 -4.290 -1.692 1.00 0.00 H new ATOM 0 HB ILE A 65 -44.036 -2.738 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.745 -0.759 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.271 -0.683 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.514 -2.462 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.293 -4.055 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.113 -2.756 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.308 0.802 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.497 -0.510 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.947 -0.588 1.441 1.00 0.00 H new ATOM 479 N ASP A 66 -42.444 -1.623 -3.546 1.00 0.00 N ATOM 480 CA ASP A 66 -42.991 -0.953 -4.759 1.00 0.00 C ATOM 481 C ASP A 66 -41.842 -0.348 -5.569 1.00 0.00 C ATOM 482 O ASP A 66 -41.009 0.364 -5.045 1.00 0.00 O ATOM 483 CB ASP A 66 -43.957 0.157 -4.337 1.00 0.00 C ATOM 484 CG ASP A 66 -44.592 0.781 -5.581 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.382 0.250 -6.660 1.00 0.00 O ATOM 486 OD2 ASP A 66 -45.276 1.780 -5.434 1.00 0.00 O ATOM 0 H ASP A 66 -41.547 -1.264 -3.219 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.521 -1.684 -5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.731 -0.248 -3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -43.426 0.918 -3.766 1.00 0.00 H new ATOM 491 N LEU A 67 -41.793 -0.623 -6.843 1.00 0.00 N ATOM 492 CA LEU A 67 -40.698 -0.063 -7.686 1.00 0.00 C ATOM 493 C LEU A 67 -41.286 0.943 -8.679 1.00 0.00 C ATOM 494 O LEU A 67 -42.276 0.678 -9.331 1.00 0.00 O ATOM 495 CB LEU A 67 -40.012 -1.196 -8.452 1.00 0.00 C ATOM 496 CG LEU A 67 -38.793 -0.645 -9.194 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.550 -1.446 -8.798 1.00 0.00 C ATOM 498 CD2 LEU A 67 -39.017 -0.765 -10.703 1.00 0.00 C ATOM 0 H LEU A 67 -42.464 -1.211 -7.337 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.968 0.437 -7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.706 -1.983 -7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.709 -1.645 -9.159 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.650 0.403 -8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.681 -1.054 -9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.390 -1.361 -7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.693 -2.494 -9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -38.149 -0.372 -11.232 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -39.160 -1.813 -10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -39.902 -0.195 -10.986 1.00 0.00 H new ATOM 510 N SER A 68 -40.685 2.095 -8.796 1.00 0.00 N ATOM 511 CA SER A 68 -41.213 3.116 -9.745 1.00 0.00 C ATOM 512 C SER A 68 -40.098 3.552 -10.700 1.00 0.00 C ATOM 513 O SER A 68 -38.929 3.469 -10.383 1.00 0.00 O ATOM 514 CB SER A 68 -41.714 4.330 -8.960 1.00 0.00 C ATOM 515 OG SER A 68 -42.436 5.190 -9.830 1.00 0.00 O ATOM 0 H SER A 68 -39.852 2.373 -8.277 1.00 0.00 H new ATOM 0 HA SER A 68 -42.035 2.688 -10.318 1.00 0.00 H new ATOM 0 HB2 SER A 68 -42.353 4.007 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 68 -40.872 4.864 -8.519 1.00 0.00 H new ATOM 0 HG SER A 68 -42.759 5.967 -9.328 1.00 0.00 H new ATOM 521 N MET A 69 -40.452 4.014 -11.868 1.00 0.00 N ATOM 522 CA MET A 69 -39.414 4.454 -12.842 1.00 0.00 C ATOM 523 C MET A 69 -39.835 5.785 -13.469 1.00 0.00 C ATOM 524 O MET A 69 -40.996 6.012 -13.745 1.00 0.00 O ATOM 525 CB MET A 69 -39.262 3.399 -13.938 1.00 0.00 C ATOM 526 CG MET A 69 -38.724 2.103 -13.327 1.00 0.00 C ATOM 527 SD MET A 69 -38.335 0.930 -14.650 1.00 0.00 S ATOM 528 CE MET A 69 -36.826 1.742 -15.235 1.00 0.00 C ATOM 0 H MET A 69 -41.416 4.106 -12.190 1.00 0.00 H new ATOM 0 HA MET A 69 -38.462 4.580 -12.326 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.224 3.216 -14.417 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.583 3.758 -14.712 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.832 2.310 -12.736 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.463 1.673 -12.650 1.00 0.00 H new ATOM 0 HE1 MET A 69 -36.138 0.993 -15.626 1.00 0.00 H new ATOM 0 HE2 MET A 69 -37.077 2.451 -16.024 1.00 0.00 H new ATOM 0 HE3 MET A 69 -36.354 2.272 -14.408 1.00 0.00 H new ATOM 538 N ASP A 70 -38.900 6.665 -13.699 1.00 0.00 N ATOM 539 CA ASP A 70 -39.245 7.980 -14.310 1.00 0.00 C ATOM 540 C ASP A 70 -38.503 8.135 -15.639 1.00 0.00 C ATOM 541 O ASP A 70 -37.342 8.492 -15.672 1.00 0.00 O ATOM 542 CB ASP A 70 -38.833 9.107 -13.360 1.00 0.00 C ATOM 543 CG ASP A 70 -40.083 9.738 -12.743 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.646 9.134 -11.846 1.00 0.00 O ATOM 545 OD2 ASP A 70 -40.454 10.816 -13.178 1.00 0.00 O ATOM 0 H ASP A 70 -37.911 6.530 -13.490 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.319 8.029 -14.487 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.185 8.717 -12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -38.261 9.861 -13.900 1.00 0.00 H new ATOM 550 N PRO A 71 -39.193 7.861 -16.756 1.00 0.00 N ATOM 551 CA PRO A 71 -38.602 7.968 -18.092 1.00 0.00 C ATOM 552 C PRO A 71 -38.429 9.422 -18.576 1.00 0.00 C ATOM 553 O PRO A 71 -37.547 9.698 -19.367 1.00 0.00 O ATOM 554 CB PRO A 71 -39.592 7.222 -18.986 1.00 0.00 C ATOM 555 CG PRO A 71 -40.900 7.284 -18.270 1.00 0.00 C ATOM 556 CD PRO A 71 -40.599 7.419 -16.798 1.00 0.00 C ATOM 0 HA PRO A 71 -37.592 7.558 -18.106 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.660 7.687 -19.969 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -39.279 6.190 -19.143 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.490 8.130 -18.621 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -41.486 6.385 -18.462 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.259 8.144 -16.321 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.735 6.472 -16.275 1.00 0.00 H new ATOM 564 N PRO A 72 -39.265 10.379 -18.114 1.00 0.00 N ATOM 565 CA PRO A 72 -39.146 11.777 -18.544 1.00 0.00 C ATOM 566 C PRO A 72 -37.967 12.481 -17.867 1.00 0.00 C ATOM 567 O PRO A 72 -37.429 13.444 -18.378 1.00 0.00 O ATOM 568 CB PRO A 72 -40.455 12.413 -18.088 1.00 0.00 C ATOM 569 CG PRO A 72 -40.909 11.580 -16.939 1.00 0.00 C ATOM 570 CD PRO A 72 -40.375 10.190 -17.158 1.00 0.00 C ATOM 0 HA PRO A 72 -38.970 11.856 -19.617 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.306 13.451 -17.789 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.193 12.415 -18.890 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.541 11.989 -15.998 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.997 11.569 -16.878 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -40.027 9.745 -16.226 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -41.141 9.527 -17.562 1.00 0.00 H new ATOM 578 N ARG A 73 -37.563 12.010 -16.720 1.00 0.00 N ATOM 579 CA ARG A 73 -36.423 12.654 -16.009 1.00 0.00 C ATOM 580 C ARG A 73 -35.203 11.728 -16.047 1.00 0.00 C ATOM 581 O ARG A 73 -34.144 12.063 -15.554 1.00 0.00 O ATOM 582 CB ARG A 73 -36.815 12.920 -14.554 1.00 0.00 C ATOM 583 CG ARG A 73 -38.006 13.881 -14.515 1.00 0.00 C ATOM 584 CD ARG A 73 -38.331 14.230 -13.061 1.00 0.00 C ATOM 585 NE ARG A 73 -39.640 14.939 -13.002 1.00 0.00 N ATOM 586 CZ ARG A 73 -40.422 14.780 -11.968 1.00 0.00 C ATOM 587 NH1 ARG A 73 -41.490 14.037 -12.067 1.00 0.00 N ATOM 588 NH2 ARG A 73 -40.136 15.364 -10.837 1.00 0.00 N ATOM 0 H ARG A 73 -37.973 11.207 -16.244 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.177 13.596 -16.499 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.073 11.984 -14.058 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -35.972 13.347 -14.011 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.775 14.787 -15.075 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.872 13.423 -14.993 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.369 13.323 -12.458 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -37.545 14.859 -12.642 1.00 0.00 H new ATOM 0 HE ARG A 73 -39.925 15.548 -13.769 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -41.714 13.581 -12.951 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -42.101 13.912 -11.260 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -39.301 15.945 -10.760 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -40.747 15.239 -10.030 1.00 0.00 H new ATOM 602 N ASN A 74 -35.342 10.567 -16.628 1.00 0.00 N ATOM 603 CA ASN A 74 -34.189 9.627 -16.694 1.00 0.00 C ATOM 604 C ASN A 74 -33.787 9.211 -15.277 1.00 0.00 C ATOM 605 O ASN A 74 -32.620 9.121 -14.953 1.00 0.00 O ATOM 606 CB ASN A 74 -33.006 10.319 -17.375 1.00 0.00 C ATOM 607 CG ASN A 74 -33.439 10.832 -18.749 1.00 0.00 C ATOM 608 OD1 ASN A 74 -33.094 11.930 -19.137 1.00 0.00 O ATOM 609 ND2 ASN A 74 -34.188 10.078 -19.508 1.00 0.00 N ATOM 0 H ASN A 74 -36.203 10.230 -17.059 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.473 8.744 -17.266 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.652 11.147 -16.761 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -32.175 9.622 -17.480 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -34.483 10.411 -20.426 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -34.478 9.156 -19.183 1.00 0.00 H new ATOM 616 N CYS A 75 -34.746 8.955 -14.430 1.00 0.00 N ATOM 617 CA CYS A 75 -34.418 8.545 -13.035 1.00 0.00 C ATOM 618 C CYS A 75 -35.445 7.520 -12.550 1.00 0.00 C ATOM 619 O CYS A 75 -36.555 7.461 -13.037 1.00 0.00 O ATOM 620 CB CYS A 75 -34.451 9.773 -12.121 1.00 0.00 C ATOM 621 SG CYS A 75 -36.152 10.373 -11.979 1.00 0.00 S ATOM 0 H CYS A 75 -35.742 9.012 -14.643 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.423 8.101 -13.011 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -34.061 9.517 -11.136 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -33.810 10.557 -12.524 1.00 0.00 H new ATOM 0 HG CYS A 75 -36.714 9.841 -10.935 1.00 0.00 H new ATOM 627 N ALA A 76 -35.082 6.711 -11.592 1.00 0.00 N ATOM 628 CA ALA A 76 -36.038 5.691 -11.078 1.00 0.00 C ATOM 629 C ALA A 76 -36.129 5.798 -9.555 1.00 0.00 C ATOM 630 O ALA A 76 -35.301 6.415 -8.915 1.00 0.00 O ATOM 631 CB ALA A 76 -35.550 4.292 -11.461 1.00 0.00 C ATOM 0 H ALA A 76 -34.166 6.713 -11.144 1.00 0.00 H new ATOM 0 HA ALA A 76 -37.021 5.865 -11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -36.250 3.547 -11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.486 4.214 -12.546 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.566 4.118 -11.026 1.00 0.00 H new ATOM 637 N PHE A 77 -37.131 5.200 -8.969 1.00 0.00 N ATOM 638 CA PHE A 77 -37.278 5.265 -7.489 1.00 0.00 C ATOM 639 C PHE A 77 -37.375 3.845 -6.927 1.00 0.00 C ATOM 640 O PHE A 77 -38.029 2.990 -7.489 1.00 0.00 O ATOM 641 CB PHE A 77 -38.546 6.044 -7.135 1.00 0.00 C ATOM 642 CG PHE A 77 -38.386 7.486 -7.551 1.00 0.00 C ATOM 643 CD1 PHE A 77 -37.801 8.407 -6.673 1.00 0.00 C ATOM 644 CD2 PHE A 77 -38.821 7.903 -8.814 1.00 0.00 C ATOM 645 CE1 PHE A 77 -37.653 9.745 -7.059 1.00 0.00 C ATOM 646 CE2 PHE A 77 -38.672 9.240 -9.200 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.088 10.162 -8.323 1.00 0.00 C ATOM 0 H PHE A 77 -37.855 4.669 -9.453 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.413 5.769 -7.058 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.408 5.604 -7.637 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.735 5.983 -6.063 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.464 8.085 -5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.272 7.193 -9.491 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.203 10.456 -6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.008 9.561 -10.175 1.00 0.00 H new ATOM 0 HZ PHE A 77 -37.973 11.194 -8.621 1.00 0.00 H new ATOM 657 N VAL A 78 -36.729 3.586 -5.823 1.00 0.00 N ATOM 658 CA VAL A 78 -36.787 2.220 -5.231 1.00 0.00 C ATOM 659 C VAL A 78 -37.316 2.302 -3.798 1.00 0.00 C ATOM 660 O VAL A 78 -36.899 3.137 -3.019 1.00 0.00 O ATOM 661 CB VAL A 78 -35.384 1.609 -5.220 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.466 0.158 -4.742 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.798 1.648 -6.633 1.00 0.00 C ATOM 0 H VAL A 78 -36.164 4.260 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.453 1.596 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.744 2.179 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.468 -0.279 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.883 0.130 -3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -36.106 -0.412 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.799 1.213 -6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.437 1.078 -7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.741 2.681 -6.975 1.00 0.00 H new ATOM 673 N THR A 79 -38.230 1.441 -3.444 1.00 0.00 N ATOM 674 CA THR A 79 -38.782 1.466 -2.061 1.00 0.00 C ATOM 675 C THR A 79 -38.327 0.213 -1.313 1.00 0.00 C ATOM 676 O THR A 79 -38.498 -0.896 -1.780 1.00 0.00 O ATOM 677 CB THR A 79 -40.312 1.498 -2.122 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.726 2.480 -3.062 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.872 1.842 -0.741 1.00 0.00 C ATOM 0 H THR A 79 -38.618 0.721 -4.053 1.00 0.00 H new ATOM 0 HA THR A 79 -38.422 2.353 -1.540 1.00 0.00 H new ATOM 0 HB THR A 79 -40.685 0.521 -2.429 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.916 2.050 -3.922 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.961 1.865 -0.785 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.554 1.088 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.501 2.819 -0.431 1.00 0.00 H new ATOM 687 N TYR A 80 -37.744 0.377 -0.157 1.00 0.00 N ATOM 688 CA TYR A 80 -37.277 -0.811 0.612 1.00 0.00 C ATOM 689 C TYR A 80 -38.127 -0.977 1.874 1.00 0.00 C ATOM 690 O TYR A 80 -38.384 -0.032 2.591 1.00 0.00 O ATOM 691 CB TYR A 80 -35.812 -0.619 1.007 1.00 0.00 C ATOM 692 CG TYR A 80 -34.923 -1.156 -0.089 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.201 -2.399 -0.670 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.822 -0.411 -0.525 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.379 -2.896 -1.687 1.00 0.00 C ATOM 696 CE2 TYR A 80 -32.999 -0.908 -1.543 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.278 -2.150 -2.124 1.00 0.00 C ATOM 698 OH TYR A 80 -32.467 -2.640 -3.127 1.00 0.00 O ATOM 0 H TYR A 80 -37.571 1.279 0.287 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.375 -1.702 -0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.604 0.438 1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.606 -1.136 1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -36.050 -2.974 -0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.607 0.548 -0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.594 -3.855 -2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.149 -0.333 -1.880 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.504 -3.619 -3.129 1.00 0.00 H new ATOM 708 N GLU A 81 -38.562 -2.177 2.148 1.00 0.00 N ATOM 709 CA GLU A 81 -39.393 -2.410 3.361 1.00 0.00 C ATOM 710 C GLU A 81 -38.581 -2.052 4.608 1.00 0.00 C ATOM 711 O GLU A 81 -39.122 -1.653 5.621 1.00 0.00 O ATOM 712 CB GLU A 81 -39.798 -3.884 3.423 1.00 0.00 C ATOM 713 CG GLU A 81 -40.804 -4.091 4.557 1.00 0.00 C ATOM 714 CD GLU A 81 -41.145 -5.578 4.670 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.611 -6.349 3.890 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.935 -5.920 5.534 1.00 0.00 O ATOM 0 H GLU A 81 -38.377 -3.006 1.583 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.287 -1.788 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -40.236 -4.192 2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -38.918 -4.507 3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.388 -3.730 5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.708 -3.513 4.366 1.00 0.00 H new ATOM 723 N LYS A 82 -37.285 -2.192 4.542 1.00 0.00 N ATOM 724 CA LYS A 82 -36.437 -1.860 5.721 1.00 0.00 C ATOM 725 C LYS A 82 -35.564 -0.647 5.395 1.00 0.00 C ATOM 726 O LYS A 82 -35.104 -0.484 4.283 1.00 0.00 O ATOM 727 CB LYS A 82 -35.543 -3.055 6.058 1.00 0.00 C ATOM 728 CG LYS A 82 -36.412 -4.249 6.455 1.00 0.00 C ATOM 729 CD LYS A 82 -35.515 -5.412 6.881 1.00 0.00 C ATOM 730 CE LYS A 82 -36.372 -6.657 7.121 1.00 0.00 C ATOM 731 NZ LYS A 82 -37.082 -6.528 8.424 1.00 0.00 N ATOM 0 H LYS A 82 -36.777 -2.522 3.722 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.075 -1.630 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -34.924 -3.313 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.866 -2.798 6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.079 -3.972 7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -37.042 -4.549 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.771 -5.613 6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -34.971 -5.152 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -37.093 -6.777 6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -35.745 -7.548 7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -37.624 -7.395 8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -36.388 -6.383 9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -37.730 -5.716 8.387 1.00 0.00 H new ATOM 745 N MET A 83 -35.330 0.203 6.355 1.00 0.00 N ATOM 746 CA MET A 83 -34.485 1.401 6.097 1.00 0.00 C ATOM 747 C MET A 83 -33.024 0.971 5.954 1.00 0.00 C ATOM 748 O MET A 83 -32.212 1.671 5.381 1.00 0.00 O ATOM 749 CB MET A 83 -34.618 2.382 7.264 1.00 0.00 C ATOM 750 CG MET A 83 -36.077 2.827 7.392 1.00 0.00 C ATOM 751 SD MET A 83 -36.208 4.106 8.667 1.00 0.00 S ATOM 752 CE MET A 83 -35.352 5.418 7.760 1.00 0.00 C ATOM 0 H MET A 83 -35.687 0.120 7.307 1.00 0.00 H new ATOM 0 HA MET A 83 -34.813 1.886 5.178 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.288 1.910 8.189 1.00 0.00 H new ATOM 0 HB3 MET A 83 -33.976 3.247 7.101 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.436 3.212 6.437 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.707 1.976 7.650 1.00 0.00 H new ATOM 0 HE1 MET A 83 -35.708 6.389 8.103 1.00 0.00 H new ATOM 0 HE2 MET A 83 -34.279 5.341 7.936 1.00 0.00 H new ATOM 0 HE3 MET A 83 -35.553 5.314 6.694 1.00 0.00 H new ATOM 762 N GLU A 84 -32.682 -0.179 6.470 1.00 0.00 N ATOM 763 CA GLU A 84 -31.274 -0.656 6.362 1.00 0.00 C ATOM 764 C GLU A 84 -31.002 -1.110 4.926 1.00 0.00 C ATOM 765 O GLU A 84 -29.872 -1.144 4.479 1.00 0.00 O ATOM 766 CB GLU A 84 -31.059 -1.832 7.318 1.00 0.00 C ATOM 767 CG GLU A 84 -31.203 -1.350 8.763 1.00 0.00 C ATOM 768 CD GLU A 84 -30.852 -2.493 9.718 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.670 -3.602 9.241 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.773 -2.241 10.908 1.00 0.00 O ATOM 0 H GLU A 84 -33.317 -0.808 6.961 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.593 0.154 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.785 -2.619 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -30.070 -2.263 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -30.546 -0.498 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -32.223 -1.010 8.945 1.00 0.00 H new ATOM 777 N SER A 85 -32.029 -1.459 4.201 1.00 0.00 N ATOM 778 CA SER A 85 -31.831 -1.910 2.795 1.00 0.00 C ATOM 779 C SER A 85 -31.567 -0.695 1.904 1.00 0.00 C ATOM 780 O SER A 85 -30.849 -0.773 0.927 1.00 0.00 O ATOM 781 CB SER A 85 -33.088 -2.635 2.310 1.00 0.00 C ATOM 782 OG SER A 85 -33.359 -3.735 3.166 1.00 0.00 O ATOM 0 H SER A 85 -32.997 -1.451 4.522 1.00 0.00 H new ATOM 0 HA SER A 85 -30.979 -2.589 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.936 -1.950 2.301 1.00 0.00 H new ATOM 0 HB3 SER A 85 -32.948 -2.983 1.286 1.00 0.00 H new ATOM 0 HG SER A 85 -34.165 -4.199 2.857 1.00 0.00 H new ATOM 788 N ALA A 86 -32.142 0.427 2.235 1.00 0.00 N ATOM 789 CA ALA A 86 -31.925 1.648 1.410 1.00 0.00 C ATOM 790 C ALA A 86 -30.533 2.213 1.693 1.00 0.00 C ATOM 791 O ALA A 86 -29.825 2.625 0.796 1.00 0.00 O ATOM 792 CB ALA A 86 -32.984 2.696 1.763 1.00 0.00 C ATOM 0 H ALA A 86 -32.753 0.552 3.042 1.00 0.00 H new ATOM 0 HA ALA A 86 -32.005 1.393 0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.826 3.590 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.976 2.293 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.904 2.952 2.819 1.00 0.00 H new ATOM 798 N ASP A 87 -30.133 2.236 2.935 1.00 0.00 N ATOM 799 CA ASP A 87 -28.787 2.774 3.273 1.00 0.00 C ATOM 800 C ASP A 87 -27.710 1.871 2.670 1.00 0.00 C ATOM 801 O ASP A 87 -26.670 2.328 2.242 1.00 0.00 O ATOM 802 CB ASP A 87 -28.623 2.819 4.794 1.00 0.00 C ATOM 803 CG ASP A 87 -27.324 3.549 5.144 1.00 0.00 C ATOM 804 OD1 ASP A 87 -26.713 4.094 4.241 1.00 0.00 O ATOM 805 OD2 ASP A 87 -26.965 3.549 6.311 1.00 0.00 O ATOM 0 H ASP A 87 -30.681 1.905 3.729 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.686 3.780 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.473 3.329 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -28.605 1.807 5.199 1.00 0.00 H new ATOM 810 N GLN A 88 -27.955 0.591 2.633 1.00 0.00 N ATOM 811 CA GLN A 88 -26.946 -0.344 2.057 1.00 0.00 C ATOM 812 C GLN A 88 -26.881 -0.154 0.541 1.00 0.00 C ATOM 813 O GLN A 88 -25.824 -0.201 -0.057 1.00 0.00 O ATOM 814 CB GLN A 88 -27.350 -1.785 2.370 1.00 0.00 C ATOM 815 CG GLN A 88 -26.261 -2.739 1.873 1.00 0.00 C ATOM 816 CD GLN A 88 -25.079 -2.712 2.843 1.00 0.00 C ATOM 817 OE1 GLN A 88 -25.216 -3.068 3.997 1.00 0.00 O ATOM 818 NE2 GLN A 88 -23.914 -2.301 2.422 1.00 0.00 N ATOM 0 H GLN A 88 -28.809 0.151 2.976 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.969 -0.136 2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.495 -1.909 3.443 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.301 -2.020 1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.658 -3.751 1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.933 -2.446 0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -23.798 -2.002 1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -23.119 -2.279 3.061 1.00 0.00 H new ATOM 827 N ALA A 89 -28.005 0.059 -0.083 1.00 0.00 N ATOM 828 CA ALA A 89 -28.014 0.249 -1.561 1.00 0.00 C ATOM 829 C ALA A 89 -27.302 1.556 -1.916 1.00 0.00 C ATOM 830 O ALA A 89 -26.510 1.613 -2.834 1.00 0.00 O ATOM 831 CB ALA A 89 -29.460 0.303 -2.056 1.00 0.00 C ATOM 0 H ALA A 89 -28.919 0.110 0.366 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.496 -0.583 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.470 0.442 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.965 -0.630 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.977 1.135 -1.579 1.00 0.00 H new ATOM 837 N VAL A 90 -27.578 2.610 -1.195 1.00 0.00 N ATOM 838 CA VAL A 90 -26.915 3.911 -1.495 1.00 0.00 C ATOM 839 C VAL A 90 -25.436 3.833 -1.110 1.00 0.00 C ATOM 840 O VAL A 90 -24.599 4.500 -1.685 1.00 0.00 O ATOM 841 CB VAL A 90 -27.589 5.025 -0.692 1.00 0.00 C ATOM 842 CG1 VAL A 90 -26.780 6.317 -0.836 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.007 5.251 -1.218 1.00 0.00 C ATOM 0 H VAL A 90 -28.233 2.626 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.003 4.124 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.634 4.738 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.259 7.112 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -25.770 6.158 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -26.735 6.603 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.486 6.045 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -28.964 5.538 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.584 4.332 -1.116 1.00 0.00 H new ATOM 853 N ALA A 91 -25.109 3.024 -0.140 1.00 0.00 N ATOM 854 CA ALA A 91 -23.685 2.905 0.282 1.00 0.00 C ATOM 855 C ALA A 91 -22.937 1.983 -0.682 1.00 0.00 C ATOM 856 O ALA A 91 -21.723 1.970 -0.727 1.00 0.00 O ATOM 857 CB ALA A 91 -23.621 2.327 1.698 1.00 0.00 C ATOM 0 H ALA A 91 -25.766 2.441 0.378 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.220 3.891 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.580 2.239 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -24.150 2.988 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -24.088 1.342 1.710 1.00 0.00 H new ATOM 863 N GLU A 92 -23.651 1.209 -1.453 1.00 0.00 N ATOM 864 CA GLU A 92 -22.976 0.289 -2.411 1.00 0.00 C ATOM 865 C GLU A 92 -23.334 0.690 -3.843 1.00 0.00 C ATOM 866 O GLU A 92 -22.472 0.899 -4.674 1.00 0.00 O ATOM 867 CB GLU A 92 -23.436 -1.147 -2.155 1.00 0.00 C ATOM 868 CG GLU A 92 -22.657 -2.100 -3.063 1.00 0.00 C ATOM 869 CD GLU A 92 -23.115 -3.537 -2.812 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.922 -3.733 -1.918 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.653 -4.418 -3.518 1.00 0.00 O ATOM 0 H GLU A 92 -24.670 1.174 -1.461 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.897 0.354 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -23.276 -1.411 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -24.505 -1.238 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -22.816 -1.834 -4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -21.588 -2.009 -2.870 1.00 0.00 H new ATOM 878 N LEU A 93 -24.601 0.799 -4.142 1.00 0.00 N ATOM 879 CA LEU A 93 -25.009 1.186 -5.522 1.00 0.00 C ATOM 880 C LEU A 93 -24.430 2.563 -5.856 1.00 0.00 C ATOM 881 O LEU A 93 -24.084 2.844 -6.986 1.00 0.00 O ATOM 882 CB LEU A 93 -26.535 1.242 -5.606 1.00 0.00 C ATOM 883 CG LEU A 93 -27.116 -0.137 -5.292 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.624 -0.128 -5.554 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.450 -1.187 -6.185 1.00 0.00 C ATOM 0 H LEU A 93 -25.369 0.637 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.633 0.450 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.921 1.979 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.843 1.560 -6.602 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.930 -0.379 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -29.038 -1.111 -5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.099 0.619 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.810 0.114 -6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.864 -2.170 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.635 -0.945 -7.232 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.376 -1.195 -5.999 1.00 0.00 H new ATOM 897 N ASN A 94 -24.322 3.423 -4.880 1.00 0.00 N ATOM 898 CA ASN A 94 -23.766 4.780 -5.140 1.00 0.00 C ATOM 899 C ASN A 94 -22.279 4.666 -5.478 1.00 0.00 C ATOM 900 O ASN A 94 -21.503 4.104 -4.731 1.00 0.00 O ATOM 901 CB ASN A 94 -23.942 5.648 -3.893 1.00 0.00 C ATOM 902 CG ASN A 94 -23.716 7.116 -4.258 1.00 0.00 C ATOM 903 OD1 ASN A 94 -24.483 7.694 -5.003 1.00 0.00 O ATOM 904 ND2 ASN A 94 -22.689 7.750 -3.759 1.00 0.00 N ATOM 0 H ASN A 94 -24.595 3.244 -3.914 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.294 5.236 -5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -24.943 5.514 -3.482 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.237 5.341 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -22.531 8.730 -3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -22.045 7.265 -3.134 1.00 0.00 H new ATOM 911 N GLY A 95 -21.874 5.195 -6.601 1.00 0.00 N ATOM 912 CA GLY A 95 -20.437 5.117 -6.986 1.00 0.00 C ATOM 913 C GLY A 95 -20.158 3.764 -7.644 1.00 0.00 C ATOM 914 O GLY A 95 -19.209 3.083 -7.308 1.00 0.00 O ATOM 0 H GLY A 95 -22.477 5.678 -7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.189 5.926 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.806 5.242 -6.106 1.00 0.00 H new ATOM 918 N THR A 96 -20.977 3.369 -8.580 1.00 0.00 N ATOM 919 CA THR A 96 -20.758 2.060 -9.258 1.00 0.00 C ATOM 920 C THR A 96 -20.808 2.259 -10.775 1.00 0.00 C ATOM 921 O THR A 96 -21.233 3.287 -11.262 1.00 0.00 O ATOM 922 CB THR A 96 -21.851 1.076 -8.836 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.087 1.463 -9.425 1.00 0.00 O ATOM 924 CG2 THR A 96 -21.986 1.083 -7.313 1.00 0.00 C ATOM 0 H THR A 96 -21.788 3.896 -8.904 1.00 0.00 H new ATOM 0 HA THR A 96 -19.784 1.662 -8.974 1.00 0.00 H new ATOM 0 HB THR A 96 -21.586 0.073 -9.170 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.620 1.961 -8.770 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.765 0.382 -7.014 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.039 0.787 -6.862 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.251 2.085 -6.976 1.00 0.00 H new ATOM 932 N GLN A 97 -20.376 1.282 -11.525 1.00 0.00 N ATOM 933 CA GLN A 97 -20.400 1.417 -13.008 1.00 0.00 C ATOM 934 C GLN A 97 -21.049 0.176 -13.625 1.00 0.00 C ATOM 935 O GLN A 97 -21.182 -0.849 -12.986 1.00 0.00 O ATOM 936 CB GLN A 97 -18.969 1.557 -13.533 1.00 0.00 C ATOM 937 CG GLN A 97 -19.005 1.866 -15.031 1.00 0.00 C ATOM 938 CD GLN A 97 -17.580 2.087 -15.542 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.646 2.148 -14.767 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.373 2.212 -16.825 1.00 0.00 N ATOM 0 H GLN A 97 -20.008 0.397 -11.175 1.00 0.00 H new ATOM 0 HA GLN A 97 -20.975 2.302 -13.281 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.450 2.353 -12.999 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.412 0.637 -13.354 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.473 1.043 -15.572 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.610 2.753 -15.215 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.157 2.161 -17.475 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.427 2.361 -17.177 1.00 0.00 H new ATOM 949 N VAL A 98 -21.454 0.262 -14.861 1.00 0.00 N ATOM 950 CA VAL A 98 -22.095 -0.913 -15.521 1.00 0.00 C ATOM 951 C VAL A 98 -21.204 -1.390 -16.667 1.00 0.00 C ATOM 952 O VAL A 98 -20.043 -1.044 -16.748 1.00 0.00 O ATOM 953 CB VAL A 98 -23.469 -0.521 -16.088 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.501 -1.577 -15.686 1.00 0.00 C ATOM 955 CG2 VAL A 98 -23.901 0.844 -15.542 1.00 0.00 C ATOM 0 H VAL A 98 -21.370 1.095 -15.444 1.00 0.00 H new ATOM 0 HA VAL A 98 -22.224 -1.707 -14.785 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.400 -0.461 -17.174 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.477 -1.303 -16.086 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -24.204 -2.547 -16.086 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.558 -1.635 -14.599 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -24.876 1.108 -15.952 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -23.966 0.797 -14.455 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.169 1.599 -15.830 1.00 0.00 H new ATOM 965 N GLU A 99 -21.739 -2.176 -17.560 1.00 0.00 N ATOM 966 CA GLU A 99 -20.917 -2.660 -18.703 1.00 0.00 C ATOM 967 C GLU A 99 -20.245 -1.460 -19.371 1.00 0.00 C ATOM 968 O GLU A 99 -19.239 -1.589 -20.040 1.00 0.00 O ATOM 969 CB GLU A 99 -21.815 -3.373 -19.716 1.00 0.00 C ATOM 970 CG GLU A 99 -20.954 -3.942 -20.845 1.00 0.00 C ATOM 971 CD GLU A 99 -21.859 -4.502 -21.944 1.00 0.00 C ATOM 972 OE1 GLU A 99 -23.065 -4.372 -21.815 1.00 0.00 O ATOM 973 OE2 GLU A 99 -21.330 -5.052 -22.896 1.00 0.00 O ATOM 0 H GLU A 99 -22.705 -2.503 -17.548 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.160 -3.357 -18.344 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -22.369 -4.174 -19.227 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -22.551 -2.677 -20.120 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -20.309 -3.164 -21.252 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -20.303 -4.727 -20.460 1.00 0.00 H new ATOM 980 N SER A 100 -20.797 -0.290 -19.188 1.00 0.00 N ATOM 981 CA SER A 100 -20.196 0.924 -19.804 1.00 0.00 C ATOM 982 C SER A 100 -21.051 2.145 -19.458 1.00 0.00 C ATOM 983 O SER A 100 -21.221 3.044 -20.258 1.00 0.00 O ATOM 984 CB SER A 100 -20.140 0.753 -21.324 1.00 0.00 C ATOM 985 OG SER A 100 -19.083 1.541 -21.851 1.00 0.00 O ATOM 0 H SER A 100 -21.639 -0.125 -18.637 1.00 0.00 H new ATOM 0 HA SER A 100 -19.186 1.065 -19.419 1.00 0.00 H new ATOM 0 HB2 SER A 100 -19.987 -0.296 -21.577 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.088 1.053 -21.769 1.00 0.00 H new ATOM 0 HG SER A 100 -19.046 1.430 -22.824 1.00 0.00 H new ATOM 991 N VAL A 101 -21.595 2.182 -18.272 1.00 0.00 N ATOM 992 CA VAL A 101 -22.442 3.340 -17.875 1.00 0.00 C ATOM 993 C VAL A 101 -22.212 3.659 -16.396 1.00 0.00 C ATOM 994 O VAL A 101 -21.647 2.873 -15.661 1.00 0.00 O ATOM 995 CB VAL A 101 -23.913 2.988 -18.098 1.00 0.00 C ATOM 996 CG1 VAL A 101 -24.801 4.032 -17.419 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.211 2.963 -19.599 1.00 0.00 C ATOM 0 H VAL A 101 -21.489 1.459 -17.561 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.178 4.209 -18.477 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.118 2.007 -17.670 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -25.849 3.778 -17.580 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.591 4.048 -16.349 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -24.596 5.015 -17.843 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.260 2.712 -19.758 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.004 3.944 -20.027 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.582 2.216 -20.082 1.00 0.00 H new ATOM 1007 N GLN A 102 -22.649 4.805 -15.951 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.461 5.173 -14.519 1.00 0.00 C ATOM 1009 C GLN A 102 -23.826 5.445 -13.883 1.00 0.00 C ATOM 1010 O GLN A 102 -24.583 6.275 -14.346 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.597 6.433 -14.422 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.197 6.136 -14.965 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.314 7.376 -14.802 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -19.807 8.456 -14.540 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.022 7.267 -14.945 1.00 0.00 N ATOM 0 H GLN A 102 -23.129 5.504 -16.518 1.00 0.00 H new ATOM 0 HA GLN A 102 -21.968 4.354 -13.995 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.054 7.244 -14.989 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.534 6.764 -13.386 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -19.760 5.292 -14.432 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.255 5.853 -16.016 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.608 6.361 -15.165 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.426 8.088 -14.837 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.147 4.751 -12.826 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.464 4.970 -12.164 1.00 0.00 C ATOM 1026 C LEU A 103 -25.281 5.889 -10.954 1.00 0.00 C ATOM 1027 O LEU A 103 -24.181 6.096 -10.480 1.00 0.00 O ATOM 1028 CB LEU A 103 -26.033 3.627 -11.702 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.538 3.763 -11.463 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -28.259 2.545 -12.043 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.809 3.848 -9.960 1.00 0.00 C ATOM 0 H LEU A 103 -23.555 4.042 -12.392 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.153 5.433 -12.871 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.842 2.861 -12.454 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -25.537 3.306 -10.786 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.903 4.667 -11.950 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -29.331 2.642 -11.873 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -28.066 2.484 -13.114 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.895 1.640 -11.556 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.881 3.945 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -27.444 2.944 -9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.295 4.716 -9.546 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.350 6.445 -10.450 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.235 7.350 -9.272 1.00 0.00 C ATOM 1045 C LYS A 104 -27.425 7.123 -8.338 1.00 0.00 C ATOM 1046 O LYS A 104 -28.567 7.144 -8.756 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.227 8.804 -9.746 1.00 0.00 C ATOM 1048 CG LYS A 104 -24.942 9.078 -10.530 1.00 0.00 C ATOM 1049 CD LYS A 104 -24.831 10.576 -10.819 1.00 0.00 C ATOM 1050 CE LYS A 104 -23.668 10.825 -11.782 1.00 0.00 C ATOM 1051 NZ LYS A 104 -22.420 10.239 -11.218 1.00 0.00 N ATOM 0 H LYS A 104 -27.297 6.311 -10.804 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.309 7.138 -8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.097 8.998 -10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.294 9.477 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.076 8.742 -9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -24.946 8.516 -11.464 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.761 10.943 -11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -24.673 11.126 -9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.885 10.380 -12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -23.539 11.895 -11.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -21.594 10.668 -11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -22.379 10.427 -10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -22.414 9.212 -11.381 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.170 6.909 -7.077 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.288 6.683 -6.119 1.00 0.00 C ATOM 1067 C VAL A 105 -28.358 7.847 -5.130 1.00 0.00 C ATOM 1068 O VAL A 105 -27.353 8.303 -4.621 1.00 0.00 O ATOM 1069 CB VAL A 105 -28.050 5.379 -5.355 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.269 5.069 -4.482 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -27.830 4.236 -6.347 1.00 0.00 C ATOM 0 H VAL A 105 -26.236 6.881 -6.669 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.227 6.617 -6.668 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.168 5.486 -4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -29.100 4.140 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.425 5.882 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -30.151 4.964 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.661 3.308 -5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.711 4.129 -6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -26.961 4.455 -6.968 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.537 8.333 -4.852 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.671 9.466 -3.896 1.00 0.00 C ATOM 1083 C ASN A 106 -30.907 9.247 -3.020 1.00 0.00 C ATOM 1084 O ASN A 106 -31.685 8.342 -3.245 1.00 0.00 O ATOM 1085 CB ASN A 106 -29.821 10.776 -4.672 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.558 11.027 -5.499 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -27.468 10.686 -5.083 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -28.659 11.613 -6.661 1.00 0.00 N ATOM 0 H ASN A 106 -30.414 7.993 -5.247 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.782 9.518 -3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.692 10.726 -5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -29.987 11.603 -3.982 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -27.823 11.785 -7.220 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -29.574 11.899 -7.010 1.00 0.00 H new ATOM 1095 N ILE A 107 -31.095 10.069 -2.024 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.281 9.904 -1.137 1.00 0.00 C ATOM 1097 C ILE A 107 -33.292 11.017 -1.420 1.00 0.00 C ATOM 1098 O ILE A 107 -32.960 12.186 -1.416 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.841 9.977 0.325 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.770 8.918 0.591 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -33.046 9.722 1.234 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -30.283 9.037 2.037 1.00 0.00 C ATOM 0 H ILE A 107 -30.479 10.847 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.743 8.936 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.432 10.966 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -31.176 7.922 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.935 9.049 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.733 9.774 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.809 10.477 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -33.455 8.733 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -29.520 8.282 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.861 10.029 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -31.121 8.885 2.717 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.524 10.664 -1.665 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.555 11.703 -1.946 1.00 0.00 C ATOM 1116 C ALA A 108 -35.812 12.519 -0.677 1.00 0.00 C ATOM 1117 O ALA A 108 -35.774 12.002 0.422 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.853 11.027 -2.390 1.00 0.00 C ATOM 0 H ALA A 108 -34.861 9.702 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.201 12.363 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.607 11.787 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.669 10.444 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -37.209 10.367 -1.599 1.00 0.00 H new ATOM 1124 N ARG A 109 -36.070 13.789 -0.819 1.00 0.00 N ATOM 1125 CA ARG A 109 -36.327 14.635 0.381 1.00 0.00 C ATOM 1126 C ARG A 109 -37.762 15.163 0.339 1.00 0.00 C ATOM 1127 O ARG A 109 -38.312 15.411 -0.716 1.00 0.00 O ATOM 1128 CB ARG A 109 -35.353 15.814 0.391 1.00 0.00 C ATOM 1129 CG ARG A 109 -33.918 15.291 0.489 1.00 0.00 C ATOM 1130 CD ARG A 109 -32.950 16.474 0.558 1.00 0.00 C ATOM 1131 NE ARG A 109 -31.548 15.973 0.493 1.00 0.00 N ATOM 1132 CZ ARG A 109 -31.178 15.191 -0.485 1.00 0.00 C ATOM 1133 NH1 ARG A 109 -31.701 15.337 -1.671 1.00 0.00 N ATOM 1134 NH2 ARG A 109 -30.286 14.262 -0.274 1.00 0.00 N ATOM 0 H ARG A 109 -36.114 14.278 -1.713 1.00 0.00 H new ATOM 0 HA ARG A 109 -36.187 14.037 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -35.474 16.407 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -35.570 16.471 1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -33.807 14.664 1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -33.687 14.667 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -33.140 17.162 -0.266 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -33.106 17.032 1.481 1.00 0.00 H new ATOM 0 HE ARG A 109 -30.877 16.241 1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -32.399 16.062 -1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -31.412 14.726 -2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -29.879 14.147 0.654 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -29.996 13.650 -1.037 1.00 0.00 H new ATOM 1148 N LYS A 110 -38.372 15.340 1.478 1.00 0.00 N ATOM 1149 CA LYS A 110 -39.770 15.855 1.505 1.00 0.00 C ATOM 1150 C LYS A 110 -39.742 17.381 1.605 1.00 0.00 C ATOM 1151 O LYS A 110 -38.903 17.953 2.274 1.00 0.00 O ATOM 1152 CB LYS A 110 -40.505 15.276 2.714 1.00 0.00 C ATOM 1153 CG LYS A 110 -40.647 13.762 2.548 1.00 0.00 C ATOM 1154 CD LYS A 110 -41.494 13.199 3.691 1.00 0.00 C ATOM 1155 CE LYS A 110 -41.546 11.673 3.582 1.00 0.00 C ATOM 1156 NZ LYS A 110 -42.024 11.100 4.872 1.00 0.00 N ATOM 0 H LYS A 110 -37.962 15.150 2.393 1.00 0.00 H new ATOM 0 HA LYS A 110 -40.288 15.558 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -39.957 15.502 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -41.489 15.736 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -41.113 13.533 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -39.663 13.292 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -41.069 13.492 4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -42.502 13.612 3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -42.212 11.378 2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -40.558 11.281 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -41.283 10.495 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -42.243 11.871 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -42.880 10.534 4.704 1.00 0.00 H new ATOM 1170 N GLN A 111 -40.648 18.048 0.946 1.00 0.00 N ATOM 1171 CA GLN A 111 -40.665 19.536 1.006 1.00 0.00 C ATOM 1172 C GLN A 111 -42.065 20.020 1.392 1.00 0.00 C ATOM 1173 O GLN A 111 -42.902 20.264 0.546 1.00 0.00 O ATOM 1174 CB GLN A 111 -40.290 20.105 -0.363 1.00 0.00 C ATOM 1175 CG GLN A 111 -40.036 21.608 -0.238 1.00 0.00 C ATOM 1176 CD GLN A 111 -40.765 22.343 -1.365 1.00 0.00 C ATOM 1177 OE1 GLN A 111 -40.874 21.837 -2.465 1.00 0.00 O ATOM 1178 NE2 GLN A 111 -41.271 23.525 -1.137 1.00 0.00 N ATOM 0 H GLN A 111 -41.377 17.628 0.369 1.00 0.00 H new ATOM 0 HA GLN A 111 -39.947 19.875 1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -39.400 19.605 -0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -41.091 19.919 -1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -40.384 21.967 0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -38.967 21.813 -0.288 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -41.180 23.950 -0.214 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -41.758 24.024 -1.882 1.00 0.00 H new ATOM 1187 N PRO A 112 -42.317 20.161 2.702 1.00 0.00 N ATOM 1188 CA PRO A 112 -43.614 20.621 3.214 1.00 0.00 C ATOM 1189 C PRO A 112 -43.849 22.103 2.910 1.00 0.00 C ATOM 1190 O PRO A 112 -42.939 22.907 2.956 1.00 0.00 O ATOM 1191 CB PRO A 112 -43.497 20.410 4.723 1.00 0.00 C ATOM 1192 CG PRO A 112 -42.033 20.459 4.998 1.00 0.00 C ATOM 1193 CD PRO A 112 -41.357 19.884 3.784 1.00 0.00 C ATOM 0 HA PRO A 112 -44.448 20.087 2.759 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -44.030 21.185 5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -43.925 19.454 5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -41.705 21.483 5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -41.785 19.884 5.890 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -40.393 20.357 3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -41.172 18.816 3.894 1.00 0.00 H new ATOM 1201 N MET A 113 -45.062 22.470 2.599 1.00 0.00 N ATOM 1202 CA MET A 113 -45.350 23.899 2.292 1.00 0.00 C ATOM 1203 C MET A 113 -44.389 24.393 1.209 1.00 0.00 C ATOM 1204 O MET A 113 -43.826 25.465 1.305 1.00 0.00 O ATOM 1205 CB MET A 113 -45.166 24.740 3.558 1.00 0.00 C ATOM 1206 CG MET A 113 -46.163 24.280 4.624 1.00 0.00 C ATOM 1207 SD MET A 113 -46.079 25.396 6.047 1.00 0.00 S ATOM 1208 CE MET A 113 -44.317 25.183 6.399 1.00 0.00 C ATOM 0 H MET A 113 -45.865 21.843 2.544 1.00 0.00 H new ATOM 0 HA MET A 113 -46.376 23.994 1.938 1.00 0.00 H new ATOM 0 HB2 MET A 113 -44.147 24.639 3.930 1.00 0.00 H new ATOM 0 HB3 MET A 113 -45.319 25.795 3.332 1.00 0.00 H new ATOM 0 HG2 MET A 113 -47.173 24.271 4.214 1.00 0.00 H new ATOM 0 HG3 MET A 113 -45.936 23.260 4.934 1.00 0.00 H new ATOM 0 HE1 MET A 113 -44.141 25.315 7.467 1.00 0.00 H new ATOM 0 HE2 MET A 113 -44.005 24.182 6.100 1.00 0.00 H new ATOM 0 HE3 MET A 113 -43.743 25.924 5.843 1.00 0.00 H new TER 1218 MET A 113