USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 742 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 Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-2.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -170:sc= -0.0761 USER MOD Single : A 26 SER OG : rot -15:sc= 0.359 USER MOD Single : A 31 HIS : no HE2:sc= -2.05 X(o=-2,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -6.26! C(o=-6.3!,f=-2.5!) USER MOD Single : A 38 MET CE :methyl 155:sc= -0.765 (180deg=-2.31) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 47 SER OG : rot 31:sc= 0.902 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00106 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= -0.0258 (180deg=-0.364) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 64 ASN : amide:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.882 USER MOD Single : A 88 GLN : amide:sc= -4.83! C(o=-4.8!,f=-4.5!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 3 6.509 -1.384 -3.912 1.00 0.14 N ATOM 38 CA ALA A 3 7.238 -1.107 -5.143 1.00 52.41 C ATOM 39 C ALA A 3 6.285 -0.719 -6.269 1.00 63.12 C ATOM 40 O ALA A 3 5.144 -1.177 -6.335 1.00 65.21 O ATOM 41 CB ALA A 3 8.071 -2.314 -5.546 1.00 44.13 C ATOM 0 HA ALA A 3 7.905 -0.265 -4.960 1.00 52.41 H new ATOM 0 HB1 ALA A 3 8.610 -2.093 -6.467 1.00 44.13 H new ATOM 0 HB2 ALA A 3 8.784 -2.545 -4.755 1.00 44.13 H new ATOM 0 HB3 ALA A 3 7.417 -3.171 -5.705 1.00 44.13 H new ATOM 47 N PRO A 4 6.762 0.146 -7.177 1.00 31.30 N ATOM 48 CA PRO A 4 5.968 0.614 -8.317 1.00 43.00 C ATOM 49 C PRO A 4 5.727 -0.485 -9.346 1.00 64.02 C ATOM 50 O PRO A 4 6.321 -1.562 -9.290 1.00 62.13 O ATOM 51 CB PRO A 4 6.831 1.728 -8.916 1.00 72.20 C ATOM 52 CG PRO A 4 8.223 1.389 -8.509 1.00 22.00 C ATOM 53 CD PRO A 4 8.112 0.732 -7.161 1.00 4.53 C ATOM 0 HA PRO A 4 4.974 0.942 -8.014 1.00 43.00 H new ATOM 0 HB2 PRO A 4 6.734 1.764 -10.001 1.00 72.20 H new ATOM 0 HB3 PRO A 4 6.535 2.706 -8.536 1.00 72.20 H new ATOM 0 HG2 PRO A 4 8.689 0.720 -9.232 1.00 22.00 H new ATOM 0 HG3 PRO A 4 8.843 2.284 -8.457 1.00 22.00 H new ATOM 0 HD2 PRO A 4 8.879 -0.030 -7.021 1.00 4.53 H new ATOM 0 HD3 PRO A 4 8.227 1.453 -6.352 1.00 4.53 H new ATOM 61 N PRO A 5 4.836 -0.209 -10.310 1.00 20.41 N ATOM 62 CA PRO A 5 4.497 -1.162 -11.371 1.00 23.51 C ATOM 63 C PRO A 5 5.644 -1.367 -12.355 1.00 4.24 C ATOM 64 O PRO A 5 6.274 -0.406 -12.797 1.00 33.22 O ATOM 65 CB PRO A 5 3.304 -0.506 -12.070 1.00 1.12 C ATOM 66 CG PRO A 5 3.462 0.951 -11.800 1.00 72.22 C ATOM 67 CD PRO A 5 4.091 1.054 -10.438 1.00 53.12 C ATOM 0 HA PRO A 5 4.283 -2.154 -10.974 1.00 23.51 H new ATOM 0 HB2 PRO A 5 3.309 -0.713 -13.140 1.00 1.12 H new ATOM 0 HB3 PRO A 5 2.359 -0.881 -11.677 1.00 1.12 H new ATOM 0 HG2 PRO A 5 4.090 1.422 -12.556 1.00 72.22 H new ATOM 0 HG3 PRO A 5 2.498 1.459 -11.824 1.00 72.22 H new ATOM 0 HD2 PRO A 5 4.750 1.919 -10.364 1.00 53.12 H new ATOM 0 HD3 PRO A 5 3.340 1.158 -9.655 1.00 53.12 H new ATOM 75 N ALA A 6 5.911 -2.624 -12.693 1.00 74.02 N ATOM 76 CA ALA A 6 6.980 -2.954 -13.627 1.00 5.43 C ATOM 77 C ALA A 6 6.509 -2.822 -15.071 1.00 31.01 C ATOM 78 O ALA A 6 5.401 -3.236 -15.414 1.00 31.01 O ATOM 79 CB ALA A 6 7.495 -4.361 -13.364 1.00 4.03 C ATOM 0 H ALA A 6 5.401 -3.431 -12.334 1.00 74.02 H new ATOM 0 HA ALA A 6 7.794 -2.246 -13.473 1.00 5.43 H new ATOM 0 HB1 ALA A 6 8.293 -4.594 -14.069 1.00 4.03 H new ATOM 0 HB2 ALA A 6 7.880 -4.423 -12.346 1.00 4.03 H new ATOM 0 HB3 ALA A 6 6.681 -5.075 -13.488 1.00 4.03 H new ATOM 85 N THR A 7 7.357 -2.242 -15.915 1.00 74.10 N ATOM 86 CA THR A 7 7.026 -2.054 -17.322 1.00 32.21 C ATOM 87 C THR A 7 7.607 -3.174 -18.178 1.00 2.33 C ATOM 88 O THR A 7 8.623 -2.991 -18.850 1.00 70.43 O ATOM 89 CB THR A 7 7.544 -0.701 -17.845 1.00 63.41 C ATOM 90 OG1 THR A 7 7.152 0.351 -16.956 1.00 61.52 O ATOM 91 CG2 THR A 7 7.008 -0.419 -19.240 1.00 61.44 C ATOM 0 H THR A 7 8.278 -1.894 -15.648 1.00 74.10 H new ATOM 0 HA THR A 7 5.939 -2.071 -17.396 1.00 32.21 H new ATOM 0 HB THR A 7 8.632 -0.748 -17.894 1.00 63.41 H new ATOM 0 HG1 THR A 7 7.487 1.207 -17.295 1.00 61.52 H new ATOM 0 HG21 THR A 7 7.387 0.542 -19.588 1.00 61.44 H new ATOM 0 HG22 THR A 7 7.333 -1.206 -19.921 1.00 61.44 H new ATOM 0 HG23 THR A 7 5.919 -0.390 -19.212 1.00 61.44 H new ATOM 99 N LEU A 8 6.958 -4.332 -18.149 1.00 75.01 N ATOM 100 CA LEU A 8 7.410 -5.482 -18.924 1.00 20.42 C ATOM 101 C LEU A 8 7.045 -5.325 -20.396 1.00 50.14 C ATOM 102 O LEU A 8 5.873 -5.393 -20.765 1.00 61.24 O ATOM 103 CB LEU A 8 6.796 -6.769 -18.369 1.00 61.02 C ATOM 104 CG LEU A 8 6.854 -6.940 -16.851 1.00 14.12 C ATOM 105 CD1 LEU A 8 5.524 -6.557 -16.220 1.00 33.51 C ATOM 106 CD2 LEU A 8 7.226 -8.370 -16.489 1.00 20.23 C ATOM 0 H LEU A 8 6.117 -4.500 -17.597 1.00 75.01 H new ATOM 0 HA LEU A 8 8.495 -5.539 -18.842 1.00 20.42 H new ATOM 0 HB2 LEU A 8 5.752 -6.813 -18.680 1.00 61.02 H new ATOM 0 HB3 LEU A 8 7.302 -7.617 -18.830 1.00 61.02 H new ATOM 0 HG LEU A 8 7.624 -6.276 -16.459 1.00 14.12 H new ATOM 0 HD11 LEU A 8 5.584 -6.685 -15.139 1.00 33.51 H new ATOM 0 HD12 LEU A 8 5.299 -5.516 -16.450 1.00 33.51 H new ATOM 0 HD13 LEU A 8 4.735 -7.196 -16.618 1.00 33.51 H new ATOM 0 HD21 LEU A 8 7.263 -8.473 -15.404 1.00 20.23 H new ATOM 0 HD22 LEU A 8 6.480 -9.054 -16.894 1.00 20.23 H new ATOM 0 HD23 LEU A 8 8.203 -8.609 -16.909 1.00 20.23 H new ATOM 118 N GLU A 9 8.057 -5.116 -21.233 1.00 0.13 N ATOM 119 CA GLU A 9 7.841 -4.950 -22.665 1.00 65.53 C ATOM 120 C GLU A 9 7.727 -6.305 -23.358 1.00 72.23 C ATOM 121 O GLU A 9 7.692 -7.347 -22.705 1.00 71.40 O ATOM 122 CB GLU A 9 8.984 -4.143 -23.286 1.00 32.15 C ATOM 123 CG GLU A 9 8.984 -2.679 -22.880 1.00 42.31 C ATOM 124 CD GLU A 9 9.881 -2.403 -21.689 1.00 21.52 C ATOM 125 OE1 GLU A 9 10.760 -3.243 -21.402 1.00 61.33 O ATOM 126 OE2 GLU A 9 9.704 -1.349 -21.043 1.00 63.43 O ATOM 0 H GLU A 9 9.033 -5.058 -20.944 1.00 0.13 H new ATOM 0 HA GLU A 9 6.905 -4.409 -22.805 1.00 65.53 H new ATOM 0 HB2 GLU A 9 9.934 -4.592 -22.996 1.00 32.15 H new ATOM 0 HB3 GLU A 9 8.917 -4.211 -24.372 1.00 32.15 H new ATOM 0 HG2 GLU A 9 9.311 -2.072 -23.724 1.00 42.31 H new ATOM 0 HG3 GLU A 9 7.966 -2.372 -22.642 1.00 42.31 H new ATOM 133 N ALA A 10 7.668 -6.281 -24.686 1.00 1.02 N ATOM 134 CA ALA A 10 7.559 -7.506 -25.468 1.00 71.01 C ATOM 135 C ALA A 10 8.581 -7.528 -26.600 1.00 15.41 C ATOM 136 O ALA A 10 8.253 -7.231 -27.749 1.00 64.45 O ATOM 137 CB ALA A 10 6.150 -7.654 -26.023 1.00 50.23 C ATOM 0 H ALA A 10 7.694 -5.426 -25.242 1.00 1.02 H new ATOM 0 HA ALA A 10 7.768 -8.348 -24.809 1.00 71.01 H new ATOM 0 HB1 ALA A 10 6.083 -8.573 -26.605 1.00 50.23 H new ATOM 0 HB2 ALA A 10 5.437 -7.693 -25.200 1.00 50.23 H new ATOM 0 HB3 ALA A 10 5.920 -6.802 -26.663 1.00 50.23 H new ATOM 143 N ILE A 11 9.818 -7.879 -26.267 1.00 71.01 N ATOM 144 CA ILE A 11 10.887 -7.939 -27.256 1.00 73.24 C ATOM 145 C ILE A 11 10.683 -9.107 -28.216 1.00 13.13 C ATOM 146 O ILE A 11 9.795 -9.938 -28.020 1.00 1.33 O ATOM 147 CB ILE A 11 12.267 -8.075 -26.587 1.00 11.24 C ATOM 148 CG1 ILE A 11 12.400 -7.075 -25.436 1.00 41.11 C ATOM 149 CG2 ILE A 11 13.374 -7.865 -27.608 1.00 64.45 C ATOM 150 CD1 ILE A 11 12.887 -5.711 -25.874 1.00 31.30 C ATOM 0 H ILE A 11 10.105 -8.126 -25.320 1.00 71.01 H new ATOM 0 HA ILE A 11 10.853 -7.003 -27.813 1.00 73.24 H new ATOM 0 HB ILE A 11 12.360 -9.083 -26.182 1.00 11.24 H new ATOM 0 HG12 ILE A 11 11.432 -6.966 -24.946 1.00 41.11 H new ATOM 0 HG13 ILE A 11 13.090 -7.477 -24.694 1.00 41.11 H new ATOM 0 HG21 ILE A 11 14.343 -7.964 -27.119 1.00 64.45 H new ATOM 0 HG22 ILE A 11 13.287 -8.612 -28.397 1.00 64.45 H new ATOM 0 HG23 ILE A 11 13.286 -6.868 -28.040 1.00 64.45 H new ATOM 0 HD11 ILE A 11 12.957 -5.054 -25.007 1.00 31.30 H new ATOM 0 HD12 ILE A 11 13.869 -5.807 -26.337 1.00 31.30 H new ATOM 0 HD13 ILE A 11 12.186 -5.288 -26.594 1.00 31.30 H new ATOM 162 N HIS A 12 11.512 -9.165 -29.253 1.00 74.12 N ATOM 163 CA HIS A 12 11.424 -10.233 -30.243 1.00 21.12 C ATOM 164 C HIS A 12 11.478 -11.602 -29.571 1.00 44.10 C ATOM 165 O HIS A 12 11.727 -11.722 -28.371 1.00 75.01 O ATOM 166 CB HIS A 12 12.557 -10.107 -31.262 1.00 12.11 C ATOM 167 CG HIS A 12 12.093 -9.696 -32.625 1.00 73.45 C ATOM 168 ND1 HIS A 12 12.659 -10.174 -33.789 1.00 35.34 N ATOM 169 CD2 HIS A 12 11.109 -8.849 -33.008 1.00 1.20 C ATOM 170 CE1 HIS A 12 12.044 -9.637 -34.828 1.00 23.15 C ATOM 171 NE2 HIS A 12 11.100 -8.829 -34.381 1.00 35.20 N ATOM 0 H HIS A 12 12.252 -8.486 -29.430 1.00 74.12 H new ATOM 0 HA HIS A 12 10.469 -10.139 -30.760 1.00 21.12 H new ATOM 0 HB2 HIS A 12 13.282 -9.378 -30.899 1.00 12.11 H new ATOM 0 HB3 HIS A 12 13.076 -11.063 -31.337 1.00 12.11 H new ATOM 0 HD2 HIS A 12 10.453 -8.292 -32.355 1.00 1.20 H new ATOM 0 HE1 HIS A 12 12.274 -9.827 -35.866 1.00 23.15 H new ATOM 0 HE2 HIS A 12 10.467 -8.279 -34.962 1.00 35.20 H new ATOM 179 N PRO A 13 11.240 -12.659 -30.361 1.00 64.31 N ATOM 180 CA PRO A 13 11.256 -14.038 -29.864 1.00 64.31 C ATOM 181 C PRO A 13 12.660 -14.506 -29.496 1.00 44.41 C ATOM 182 O PRO A 13 12.926 -15.705 -29.417 1.00 63.24 O ATOM 183 CB PRO A 13 10.716 -14.848 -31.046 1.00 1.52 C ATOM 184 CG PRO A 13 11.033 -14.023 -32.246 1.00 32.43 C ATOM 185 CD PRO A 13 10.938 -12.590 -31.801 1.00 32.25 C ATOM 0 HA PRO A 13 10.671 -14.148 -28.951 1.00 64.31 H new ATOM 0 HB2 PRO A 13 11.189 -15.828 -31.103 1.00 1.52 H new ATOM 0 HB3 PRO A 13 9.643 -15.017 -30.953 1.00 1.52 H new ATOM 0 HG2 PRO A 13 12.031 -14.249 -32.623 1.00 32.43 H new ATOM 0 HG3 PRO A 13 10.333 -14.227 -33.056 1.00 32.43 H new ATOM 0 HD2 PRO A 13 11.650 -11.957 -32.331 1.00 32.25 H new ATOM 0 HD3 PRO A 13 9.946 -12.177 -31.984 1.00 32.25 H new ATOM 193 N LYS A 14 13.557 -13.551 -29.271 1.00 14.12 N ATOM 194 CA LYS A 14 14.934 -13.864 -28.909 1.00 0.30 C ATOM 195 C LYS A 14 15.331 -13.157 -27.617 1.00 42.31 C ATOM 196 O LYS A 14 16.514 -12.957 -27.346 1.00 4.01 O ATOM 197 CB LYS A 14 15.884 -13.458 -30.038 1.00 23.01 C ATOM 198 CG LYS A 14 16.083 -11.957 -30.155 1.00 44.22 C ATOM 199 CD LYS A 14 16.599 -11.569 -31.531 1.00 11.41 C ATOM 200 CE LYS A 14 16.595 -10.060 -31.722 1.00 4.40 C ATOM 201 NZ LYS A 14 16.987 -9.675 -33.106 1.00 41.12 N ATOM 0 H LYS A 14 13.354 -12.553 -29.333 1.00 14.12 H new ATOM 0 HA LYS A 14 15.006 -14.940 -28.750 1.00 0.30 H new ATOM 0 HB2 LYS A 14 16.852 -13.933 -29.876 1.00 23.01 H new ATOM 0 HB3 LYS A 14 15.496 -13.839 -30.983 1.00 23.01 H new ATOM 0 HG2 LYS A 14 15.139 -11.448 -29.962 1.00 44.22 H new ATOM 0 HG3 LYS A 14 16.787 -11.622 -29.393 1.00 44.22 H new ATOM 0 HD2 LYS A 14 17.611 -11.951 -31.662 1.00 11.41 H new ATOM 0 HD3 LYS A 14 15.981 -12.036 -32.298 1.00 11.41 H new ATOM 0 HE2 LYS A 14 15.601 -9.669 -31.504 1.00 4.40 H new ATOM 0 HE3 LYS A 14 17.281 -9.602 -31.010 1.00 4.40 H new ATOM 0 HZ1 LYS A 14 16.972 -8.639 -33.196 1.00 41.12 H new ATOM 0 HZ2 LYS A 14 17.945 -10.026 -33.306 1.00 41.12 H new ATOM 0 HZ3 LYS A 14 16.318 -10.091 -33.785 1.00 41.12 H new ATOM 215 N GLY A 15 14.334 -12.781 -26.822 1.00 74.12 N ATOM 216 CA GLY A 15 14.600 -12.102 -25.568 1.00 1.22 C ATOM 217 C GLY A 15 13.432 -11.252 -25.109 1.00 51.32 C ATOM 218 O GLY A 15 12.386 -11.218 -25.759 1.00 31.10 O ATOM 0 H GLY A 15 13.346 -12.935 -27.025 1.00 74.12 H new ATOM 0 HA2 GLY A 15 14.831 -12.841 -24.801 1.00 1.22 H new ATOM 0 HA3 GLY A 15 15.482 -11.472 -25.680 1.00 1.22 H new ATOM 222 N LEU A 16 13.608 -10.564 -23.986 1.00 54.04 N ATOM 223 CA LEU A 16 12.558 -9.710 -23.440 1.00 24.42 C ATOM 224 C LEU A 16 13.157 -8.537 -22.671 1.00 33.05 C ATOM 225 O LEU A 16 14.339 -8.545 -22.327 1.00 71.30 O ATOM 226 CB LEU A 16 11.640 -10.521 -22.523 1.00 42.23 C ATOM 227 CG LEU A 16 10.382 -9.805 -22.031 1.00 32.11 C ATOM 228 CD1 LEU A 16 9.599 -9.234 -23.203 1.00 61.53 C ATOM 229 CD2 LEU A 16 9.513 -10.753 -21.218 1.00 34.31 C ATOM 0 H LEU A 16 14.467 -10.581 -23.436 1.00 54.04 H new ATOM 0 HA LEU A 16 11.974 -9.315 -24.272 1.00 24.42 H new ATOM 0 HB2 LEU A 16 11.336 -11.424 -23.052 1.00 42.23 H new ATOM 0 HB3 LEU A 16 12.216 -10.839 -21.654 1.00 42.23 H new ATOM 0 HG LEU A 16 10.686 -8.979 -21.387 1.00 32.11 H new ATOM 0 HD11 LEU A 16 8.707 -8.728 -22.833 1.00 61.53 H new ATOM 0 HD12 LEU A 16 10.222 -8.522 -23.744 1.00 61.53 H new ATOM 0 HD13 LEU A 16 9.306 -10.042 -23.873 1.00 61.53 H new ATOM 0 HD21 LEU A 16 8.622 -10.227 -20.876 1.00 34.31 H new ATOM 0 HD22 LEU A 16 9.219 -11.599 -21.839 1.00 34.31 H new ATOM 0 HD23 LEU A 16 10.075 -11.113 -20.356 1.00 34.31 H new ATOM 241 N ARG A 17 12.332 -7.530 -22.402 1.00 31.24 N ATOM 242 CA ARG A 17 12.779 -6.350 -21.672 1.00 23.12 C ATOM 243 C ARG A 17 11.826 -6.026 -20.525 1.00 70.12 C ATOM 244 O ARG A 17 10.608 -6.144 -20.664 1.00 44.41 O ATOM 245 CB ARG A 17 12.885 -5.151 -22.615 1.00 44.43 C ATOM 246 CG ARG A 17 13.480 -3.913 -21.963 1.00 22.30 C ATOM 247 CD ARG A 17 13.314 -2.685 -22.844 1.00 12.34 C ATOM 248 NE ARG A 17 13.458 -1.445 -22.086 1.00 1.42 N ATOM 249 CZ ARG A 17 13.202 -0.242 -22.589 1.00 20.13 C ATOM 250 NH1 ARG A 17 12.790 -0.118 -23.843 1.00 25.30 N ATOM 251 NH2 ARG A 17 13.357 0.840 -21.836 1.00 61.23 N ATOM 0 H ARG A 17 11.351 -7.508 -22.679 1.00 31.24 H new ATOM 0 HA ARG A 17 13.763 -6.563 -21.254 1.00 23.12 H new ATOM 0 HB2 ARG A 17 13.496 -5.428 -23.474 1.00 44.43 H new ATOM 0 HB3 ARG A 17 11.892 -4.910 -22.995 1.00 44.43 H new ATOM 0 HG2 ARG A 17 12.998 -3.740 -21.001 1.00 22.30 H new ATOM 0 HG3 ARG A 17 14.539 -4.079 -21.764 1.00 22.30 H new ATOM 0 HD2 ARG A 17 14.055 -2.709 -23.643 1.00 12.34 H new ATOM 0 HD3 ARG A 17 12.333 -2.709 -23.318 1.00 12.34 H new ATOM 0 HE ARG A 17 13.772 -1.506 -21.118 1.00 1.42 H new ATOM 0 HH11 ARG A 17 12.669 -0.947 -24.424 1.00 25.30 H new ATOM 0 HH12 ARG A 17 12.594 0.807 -24.226 1.00 25.30 H new ATOM 0 HH21 ARG A 17 13.673 0.748 -20.870 1.00 61.23 H new ATOM 0 HH22 ARG A 17 13.160 1.763 -22.223 1.00 61.23 H new ATOM 265 N VAL A 18 12.389 -5.618 -19.392 1.00 35.20 N ATOM 266 CA VAL A 18 11.589 -5.277 -18.221 1.00 43.34 C ATOM 267 C VAL A 18 12.260 -4.183 -17.398 1.00 52.53 C ATOM 268 O VAL A 18 13.306 -4.403 -16.788 1.00 35.42 O ATOM 269 CB VAL A 18 11.353 -6.507 -17.325 1.00 2.43 C ATOM 270 CG1 VAL A 18 10.786 -6.085 -15.978 1.00 2.32 C ATOM 271 CG2 VAL A 18 10.429 -7.499 -18.014 1.00 40.34 C ATOM 0 H VAL A 18 13.395 -5.516 -19.260 1.00 35.20 H new ATOM 0 HA VAL A 18 10.629 -4.915 -18.588 1.00 43.34 H new ATOM 0 HB VAL A 18 12.311 -6.998 -17.152 1.00 2.43 H new ATOM 0 HG11 VAL A 18 10.626 -6.967 -15.358 1.00 2.32 H new ATOM 0 HG12 VAL A 18 11.488 -5.415 -15.481 1.00 2.32 H new ATOM 0 HG13 VAL A 18 9.837 -5.570 -16.128 1.00 2.32 H new ATOM 0 HG21 VAL A 18 10.273 -8.362 -17.366 1.00 40.34 H new ATOM 0 HG22 VAL A 18 9.471 -7.022 -18.219 1.00 40.34 H new ATOM 0 HG23 VAL A 18 10.880 -7.826 -18.951 1.00 40.34 H new ATOM 281 N SER A 19 11.650 -3.001 -17.386 1.00 63.40 N ATOM 282 CA SER A 19 12.190 -1.870 -16.640 1.00 71.52 C ATOM 283 C SER A 19 11.172 -1.350 -15.630 1.00 32.51 C ATOM 284 O SER A 19 9.967 -1.544 -15.790 1.00 54.40 O ATOM 285 CB SER A 19 12.595 -0.748 -17.597 1.00 53.34 C ATOM 286 OG SER A 19 12.687 0.493 -16.918 1.00 72.25 O ATOM 0 H SER A 19 10.782 -2.802 -17.884 1.00 63.40 H new ATOM 0 HA SER A 19 13.072 -2.211 -16.098 1.00 71.52 H new ATOM 0 HB2 SER A 19 13.554 -0.986 -18.057 1.00 53.34 H new ATOM 0 HB3 SER A 19 11.865 -0.672 -18.403 1.00 53.34 H new ATOM 0 HG SER A 19 12.791 1.216 -17.571 1.00 72.25 H new ATOM 292 N VAL A 20 11.666 -0.689 -14.588 1.00 21.30 N ATOM 293 CA VAL A 20 10.801 -0.140 -13.551 1.00 10.20 C ATOM 294 C VAL A 20 11.287 1.233 -13.101 1.00 11.34 C ATOM 295 O VAL A 20 12.474 1.552 -13.167 1.00 23.40 O ATOM 296 CB VAL A 20 10.728 -1.073 -12.328 1.00 23.11 C ATOM 297 CG1 VAL A 20 10.201 -2.442 -12.731 1.00 14.41 C ATOM 298 CG2 VAL A 20 12.093 -1.192 -11.667 1.00 65.44 C ATOM 0 H VAL A 20 12.661 -0.521 -14.440 1.00 21.30 H new ATOM 0 HA VAL A 20 9.806 -0.046 -13.986 1.00 10.20 H new ATOM 0 HB VAL A 20 10.035 -0.642 -11.605 1.00 23.11 H new ATOM 0 HG11 VAL A 20 10.156 -3.087 -11.854 1.00 14.41 H new ATOM 0 HG12 VAL A 20 9.202 -2.337 -13.155 1.00 14.41 H new ATOM 0 HG13 VAL A 20 10.866 -2.884 -13.473 1.00 14.41 H new ATOM 0 HG21 VAL A 20 12.023 -1.855 -10.805 1.00 65.44 H new ATOM 0 HG22 VAL A 20 12.809 -1.600 -12.381 1.00 65.44 H new ATOM 0 HG23 VAL A 20 12.427 -0.207 -11.341 1.00 65.44 H new ATOM 308 N PRO A 21 10.348 2.068 -12.630 1.00 43.01 N ATOM 309 CA PRO A 21 10.657 3.421 -12.158 1.00 1.01 C ATOM 310 C PRO A 21 11.445 3.414 -10.852 1.00 74.22 C ATOM 311 O PRO A 21 10.988 2.874 -9.844 1.00 65.12 O ATOM 312 CB PRO A 21 9.276 4.046 -11.946 1.00 41.50 C ATOM 313 CG PRO A 21 8.370 2.890 -11.699 1.00 23.13 C ATOM 314 CD PRO A 21 8.913 1.755 -12.522 1.00 45.02 C ATOM 0 HA PRO A 21 11.283 3.966 -12.864 1.00 1.01 H new ATOM 0 HB2 PRO A 21 9.279 4.734 -11.101 1.00 41.50 H new ATOM 0 HB3 PRO A 21 8.961 4.616 -12.820 1.00 41.50 H new ATOM 0 HG2 PRO A 21 8.349 2.630 -10.641 1.00 23.13 H new ATOM 0 HG3 PRO A 21 7.346 3.127 -11.989 1.00 23.13 H new ATOM 0 HD2 PRO A 21 8.747 0.792 -12.038 1.00 45.02 H new ATOM 0 HD3 PRO A 21 8.438 1.706 -13.502 1.00 45.02 H new ATOM 322 N ASP A 22 12.628 4.016 -10.877 1.00 42.34 N ATOM 323 CA ASP A 22 13.479 4.081 -9.695 1.00 32.54 C ATOM 324 C ASP A 22 12.965 5.128 -8.712 1.00 32.11 C ATOM 325 O ASP A 22 13.108 6.329 -8.939 1.00 61.34 O ATOM 326 CB ASP A 22 14.920 4.401 -10.094 1.00 1.35 C ATOM 327 CG ASP A 22 15.835 4.543 -8.893 1.00 41.31 C ATOM 328 OD1 ASP A 22 15.649 3.792 -7.913 1.00 53.14 O ATOM 329 OD2 ASP A 22 16.737 5.406 -8.933 1.00 2.30 O ATOM 0 H ASP A 22 13.020 4.467 -11.704 1.00 42.34 H new ATOM 0 HA ASP A 22 13.454 3.107 -9.206 1.00 32.54 H new ATOM 0 HB2 ASP A 22 15.298 3.612 -10.744 1.00 1.35 H new ATOM 0 HB3 ASP A 22 14.937 5.325 -10.672 1.00 1.35 H new ATOM 334 N GLU A 23 12.365 4.664 -7.620 1.00 21.20 N ATOM 335 CA GLU A 23 11.828 5.562 -6.604 1.00 62.50 C ATOM 336 C GLU A 23 12.793 5.692 -5.429 1.00 12.31 C ATOM 337 O GLU A 23 12.374 5.825 -4.280 1.00 1.52 O ATOM 338 CB GLU A 23 10.471 5.056 -6.110 1.00 62.53 C ATOM 339 CG GLU A 23 9.397 6.130 -6.075 1.00 61.30 C ATOM 340 CD GLU A 23 9.484 7.001 -4.837 1.00 41.32 C ATOM 341 OE1 GLU A 23 10.581 7.532 -4.562 1.00 53.22 O ATOM 342 OE2 GLU A 23 8.457 7.152 -4.144 1.00 12.32 O ATOM 0 H GLU A 23 12.239 3.673 -7.416 1.00 21.20 H new ATOM 0 HA GLU A 23 11.698 6.545 -7.056 1.00 62.50 H new ATOM 0 HB2 GLU A 23 10.139 4.243 -6.756 1.00 62.53 H new ATOM 0 HB3 GLU A 23 10.590 4.640 -5.109 1.00 62.53 H new ATOM 0 HG2 GLU A 23 9.486 6.757 -6.963 1.00 61.30 H new ATOM 0 HG3 GLU A 23 8.415 5.658 -6.115 1.00 61.30 H new ATOM 349 N GLY A 24 14.088 5.653 -5.727 1.00 22.43 N ATOM 350 CA GLY A 24 15.093 5.767 -4.685 1.00 55.04 C ATOM 351 C GLY A 24 15.693 4.427 -4.309 1.00 50.03 C ATOM 352 O GLY A 24 16.541 4.346 -3.420 1.00 53.00 O ATOM 0 H GLY A 24 14.459 5.545 -6.671 1.00 22.43 H new ATOM 0 HA2 GLY A 24 15.886 6.435 -5.021 1.00 55.04 H new ATOM 0 HA3 GLY A 24 14.646 6.222 -3.801 1.00 55.04 H new ATOM 356 N PHE A 25 15.252 3.372 -4.986 1.00 61.12 N ATOM 357 CA PHE A 25 15.750 2.028 -4.716 1.00 73.04 C ATOM 358 C PHE A 25 17.273 1.985 -4.801 1.00 34.30 C ATOM 359 O PHE A 25 17.902 2.898 -5.335 1.00 54.11 O ATOM 360 CB PHE A 25 15.144 1.029 -5.705 1.00 21.05 C ATOM 361 CG PHE A 25 13.647 0.941 -5.626 1.00 53.35 C ATOM 362 CD1 PHE A 25 13.029 0.377 -4.522 1.00 23.21 C ATOM 363 CD2 PHE A 25 12.857 1.424 -6.657 1.00 75.12 C ATOM 364 CE1 PHE A 25 11.652 0.294 -4.448 1.00 53.20 C ATOM 365 CE2 PHE A 25 11.478 1.344 -6.589 1.00 3.43 C ATOM 366 CZ PHE A 25 10.875 0.780 -5.482 1.00 62.31 C ATOM 0 H PHE A 25 14.551 3.422 -5.725 1.00 61.12 H new ATOM 0 HA PHE A 25 15.452 1.753 -3.704 1.00 73.04 H new ATOM 0 HB2 PHE A 25 15.430 1.313 -6.718 1.00 21.05 H new ATOM 0 HB3 PHE A 25 15.568 0.042 -5.519 1.00 21.05 H new ATOM 0 HD1 PHE A 25 13.631 -0.002 -3.709 1.00 23.21 H new ATOM 0 HD2 PHE A 25 13.324 1.868 -7.524 1.00 75.12 H new ATOM 0 HE1 PHE A 25 11.183 -0.150 -3.583 1.00 53.20 H new ATOM 0 HE2 PHE A 25 10.874 1.722 -7.400 1.00 3.43 H new ATOM 0 HZ PHE A 25 9.798 0.719 -5.425 1.00 62.31 H new ATOM 376 N SER A 26 17.859 0.917 -4.269 1.00 73.33 N ATOM 377 CA SER A 26 19.308 0.755 -4.280 1.00 51.22 C ATOM 378 C SER A 26 19.700 -0.593 -4.877 1.00 52.01 C ATOM 379 O SER A 26 20.870 -0.837 -5.175 1.00 51.34 O ATOM 380 CB SER A 26 19.867 0.879 -2.861 1.00 52.55 C ATOM 381 OG SER A 26 21.268 0.670 -2.845 1.00 61.32 O ATOM 0 H SER A 26 17.352 0.151 -3.825 1.00 73.33 H new ATOM 0 HA SER A 26 19.732 1.544 -4.901 1.00 51.22 H new ATOM 0 HB2 SER A 26 19.639 1.867 -2.462 1.00 52.55 H new ATOM 0 HB3 SER A 26 19.380 0.153 -2.210 1.00 52.55 H new ATOM 0 HG SER A 26 21.546 0.253 -3.687 1.00 61.32 H new ATOM 387 N LEU A 27 18.713 -1.466 -5.049 1.00 3.13 N ATOM 388 CA LEU A 27 18.953 -2.791 -5.610 1.00 41.22 C ATOM 389 C LEU A 27 17.668 -3.381 -6.182 1.00 11.30 C ATOM 390 O LEU A 27 16.598 -3.263 -5.584 1.00 4.24 O ATOM 391 CB LEU A 27 19.524 -3.724 -4.541 1.00 4.30 C ATOM 392 CG LEU A 27 19.107 -5.192 -4.639 1.00 3.44 C ATOM 393 CD1 LEU A 27 17.637 -5.353 -4.286 1.00 73.23 C ATOM 394 CD2 LEU A 27 19.386 -5.734 -6.033 1.00 3.32 C ATOM 0 H LEU A 27 17.739 -1.280 -4.808 1.00 3.13 H new ATOM 0 HA LEU A 27 19.677 -2.690 -6.419 1.00 41.22 H new ATOM 0 HB2 LEU A 27 20.612 -3.672 -4.586 1.00 4.30 H new ATOM 0 HB3 LEU A 27 19.227 -3.347 -3.562 1.00 4.30 H new ATOM 0 HG LEU A 27 19.696 -5.766 -3.924 1.00 3.44 H new ATOM 0 HD11 LEU A 27 17.358 -6.404 -4.361 1.00 73.23 H new ATOM 0 HD12 LEU A 27 17.467 -5.004 -3.267 1.00 73.23 H new ATOM 0 HD13 LEU A 27 17.031 -4.766 -4.976 1.00 73.23 H new ATOM 0 HD21 LEU A 27 19.083 -6.780 -6.084 1.00 3.32 H new ATOM 0 HD22 LEU A 27 18.824 -5.157 -6.767 1.00 3.32 H new ATOM 0 HD23 LEU A 27 20.452 -5.654 -6.248 1.00 3.32 H new ATOM 406 N PHE A 28 17.781 -4.018 -7.343 1.00 14.23 N ATOM 407 CA PHE A 28 16.628 -4.628 -7.995 1.00 52.21 C ATOM 408 C PHE A 28 16.936 -6.062 -8.414 1.00 61.15 C ATOM 409 O PHE A 28 18.065 -6.383 -8.784 1.00 2.01 O ATOM 410 CB PHE A 28 16.212 -3.805 -9.217 1.00 21.44 C ATOM 411 CG PHE A 28 14.849 -4.157 -9.740 1.00 52.11 C ATOM 412 CD1 PHE A 28 13.788 -4.353 -8.871 1.00 13.41 C ATOM 413 CD2 PHE A 28 14.628 -4.291 -11.101 1.00 63.04 C ATOM 414 CE1 PHE A 28 12.533 -4.677 -9.350 1.00 54.11 C ATOM 415 CE2 PHE A 28 13.375 -4.615 -11.587 1.00 2.25 C ATOM 416 CZ PHE A 28 12.326 -4.807 -10.710 1.00 13.15 C ATOM 0 H PHE A 28 18.659 -4.125 -7.851 1.00 14.23 H new ATOM 0 HA PHE A 28 15.805 -4.646 -7.281 1.00 52.21 H new ATOM 0 HB2 PHE A 28 16.230 -2.747 -8.956 1.00 21.44 H new ATOM 0 HB3 PHE A 28 16.946 -3.950 -10.010 1.00 21.44 H new ATOM 0 HD1 PHE A 28 13.944 -4.251 -7.807 1.00 13.41 H new ATOM 0 HD2 PHE A 28 15.445 -4.140 -11.791 1.00 63.04 H new ATOM 0 HE1 PHE A 28 11.714 -4.829 -8.662 1.00 54.11 H new ATOM 0 HE2 PHE A 28 13.217 -4.718 -12.650 1.00 2.25 H new ATOM 0 HZ PHE A 28 11.345 -5.058 -11.086 1.00 13.15 H new ATOM 426 N ALA A 29 15.923 -6.921 -8.354 1.00 4.43 N ATOM 427 CA ALA A 29 16.085 -8.320 -8.728 1.00 72.11 C ATOM 428 C ALA A 29 15.004 -8.753 -9.713 1.00 42.01 C ATOM 429 O ALA A 29 13.943 -8.134 -9.798 1.00 44.31 O ATOM 430 CB ALA A 29 16.058 -9.204 -7.490 1.00 60.11 C ATOM 0 H ALA A 29 14.982 -6.672 -8.050 1.00 4.43 H new ATOM 0 HA ALA A 29 17.052 -8.430 -9.218 1.00 72.11 H new ATOM 0 HB1 ALA A 29 16.180 -10.246 -7.784 1.00 60.11 H new ATOM 0 HB2 ALA A 29 16.870 -8.918 -6.821 1.00 60.11 H new ATOM 0 HB3 ALA A 29 15.105 -9.081 -6.976 1.00 60.11 H new ATOM 436 N PHE A 30 15.280 -9.819 -10.456 1.00 64.34 N ATOM 437 CA PHE A 30 14.332 -10.334 -11.437 1.00 60.03 C ATOM 438 C PHE A 30 14.182 -11.847 -11.307 1.00 12.13 C ATOM 439 O PHE A 30 15.169 -12.583 -11.309 1.00 3.33 O ATOM 440 CB PHE A 30 14.786 -9.976 -12.854 1.00 11.42 C ATOM 441 CG PHE A 30 14.905 -8.497 -13.089 1.00 41.10 C ATOM 442 CD1 PHE A 30 15.779 -7.730 -12.335 1.00 32.43 C ATOM 443 CD2 PHE A 30 14.144 -7.874 -14.065 1.00 11.44 C ATOM 444 CE1 PHE A 30 15.890 -6.369 -12.549 1.00 33.54 C ATOM 445 CE2 PHE A 30 14.251 -6.513 -14.283 1.00 71.03 C ATOM 446 CZ PHE A 30 15.126 -5.760 -13.525 1.00 32.21 C ATOM 0 H PHE A 30 16.153 -10.344 -10.398 1.00 64.34 H new ATOM 0 HA PHE A 30 13.363 -9.872 -11.245 1.00 60.03 H new ATOM 0 HB2 PHE A 30 15.751 -10.445 -13.048 1.00 11.42 H new ATOM 0 HB3 PHE A 30 14.079 -10.394 -13.570 1.00 11.42 H new ATOM 0 HD1 PHE A 30 16.380 -8.201 -11.571 1.00 32.43 H new ATOM 0 HD2 PHE A 30 13.460 -8.458 -14.662 1.00 11.44 H new ATOM 0 HE1 PHE A 30 16.574 -5.782 -11.953 1.00 33.54 H new ATOM 0 HE2 PHE A 30 13.651 -6.039 -15.046 1.00 71.03 H new ATOM 0 HZ PHE A 30 15.213 -4.697 -13.695 1.00 32.21 H new ATOM 456 N HIS A 31 12.939 -12.305 -11.193 1.00 10.52 N ATOM 457 CA HIS A 31 12.658 -13.730 -11.061 1.00 42.21 C ATOM 458 C HIS A 31 11.231 -14.045 -11.499 1.00 31.03 C ATOM 459 O HIS A 31 10.313 -14.075 -10.681 1.00 14.13 O ATOM 460 CB HIS A 31 12.873 -14.182 -9.616 1.00 73.14 C ATOM 461 CG HIS A 31 14.272 -14.634 -9.332 1.00 31.21 C ATOM 462 ND1 HIS A 31 14.814 -15.785 -9.864 1.00 41.25 N ATOM 463 CD2 HIS A 31 15.242 -14.082 -8.566 1.00 62.24 C ATOM 464 CE1 HIS A 31 16.057 -15.922 -9.438 1.00 13.15 C ATOM 465 NE2 HIS A 31 16.341 -14.902 -8.649 1.00 2.54 N ATOM 0 H HIS A 31 12.111 -11.710 -11.189 1.00 10.52 H new ATOM 0 HA HIS A 31 13.346 -14.273 -11.709 1.00 42.21 H new ATOM 0 HB2 HIS A 31 12.622 -13.360 -8.946 1.00 73.14 H new ATOM 0 HB3 HIS A 31 12.184 -14.997 -9.392 1.00 73.14 H new ATOM 0 HD1 HIS A 31 14.331 -16.430 -10.489 1.00 41.25 H new ATOM 0 HD2 HIS A 31 15.166 -13.168 -7.996 1.00 62.24 H new ATOM 0 HE1 HIS A 31 16.727 -16.730 -9.692 1.00 13.15 H new ATOM 473 N GLY A 32 11.052 -14.279 -12.795 1.00 44.04 N ATOM 474 CA GLY A 32 9.735 -14.588 -13.319 1.00 14.30 C ATOM 475 C GLY A 32 9.783 -15.587 -14.458 1.00 53.41 C ATOM 476 O GLY A 32 10.861 -15.978 -14.906 1.00 52.32 O ATOM 0 H GLY A 32 11.796 -14.260 -13.492 1.00 44.04 H new ATOM 0 HA2 GLY A 32 9.113 -14.986 -12.517 1.00 14.30 H new ATOM 0 HA3 GLY A 32 9.261 -13.670 -13.665 1.00 14.30 H new ATOM 480 N LYS A 33 8.612 -16.003 -14.928 1.00 14.32 N ATOM 481 CA LYS A 33 8.523 -16.963 -16.022 1.00 12.14 C ATOM 482 C LYS A 33 7.606 -16.447 -17.126 1.00 11.52 C ATOM 483 O LYS A 33 7.247 -15.268 -17.149 1.00 21.44 O ATOM 484 CB LYS A 33 8.009 -18.309 -15.505 1.00 42.14 C ATOM 485 CG LYS A 33 8.637 -18.735 -14.190 1.00 32.43 C ATOM 486 CD LYS A 33 7.590 -19.241 -13.211 1.00 4.44 C ATOM 487 CE LYS A 33 7.509 -20.759 -13.216 1.00 61.52 C ATOM 488 NZ LYS A 33 8.476 -21.370 -12.263 1.00 24.31 N ATOM 0 H LYS A 33 7.710 -15.690 -14.568 1.00 14.32 H new ATOM 0 HA LYS A 33 9.522 -17.097 -16.437 1.00 12.14 H new ATOM 0 HB2 LYS A 33 6.928 -18.252 -15.380 1.00 42.14 H new ATOM 0 HB3 LYS A 33 8.203 -19.075 -16.256 1.00 42.14 H new ATOM 0 HG2 LYS A 33 9.373 -19.518 -14.374 1.00 32.43 H new ATOM 0 HG3 LYS A 33 9.171 -17.892 -13.750 1.00 32.43 H new ATOM 0 HD2 LYS A 33 7.831 -18.892 -12.207 1.00 4.44 H new ATOM 0 HD3 LYS A 33 6.617 -18.823 -13.469 1.00 4.44 H new ATOM 0 HE2 LYS A 33 6.497 -21.069 -12.955 1.00 61.52 H new ATOM 0 HE3 LYS A 33 7.707 -21.130 -14.222 1.00 61.52 H new ATOM 0 HZ1 LYS A 33 8.389 -22.406 -12.297 1.00 24.31 H new ATOM 0 HZ2 LYS A 33 9.444 -21.095 -12.526 1.00 24.31 H new ATOM 0 HZ3 LYS A 33 8.271 -21.037 -11.299 1.00 24.31 H new ATOM 502 N LEU A 34 7.229 -17.335 -18.039 1.00 11.32 N ATOM 503 CA LEU A 34 6.352 -16.969 -19.146 1.00 13.24 C ATOM 504 C LEU A 34 5.186 -17.946 -19.263 1.00 24.01 C ATOM 505 O LEU A 34 5.386 -19.154 -19.379 1.00 62.33 O ATOM 506 CB LEU A 34 7.139 -16.936 -20.457 1.00 31.42 C ATOM 507 CG LEU A 34 6.868 -15.742 -21.373 1.00 24.33 C ATOM 508 CD1 LEU A 34 5.511 -15.881 -22.043 1.00 54.34 C ATOM 509 CD2 LEU A 34 6.948 -14.440 -20.589 1.00 70.31 C ATOM 0 H LEU A 34 7.517 -18.314 -18.035 1.00 11.32 H new ATOM 0 HA LEU A 34 5.951 -15.976 -18.946 1.00 13.24 H new ATOM 0 HB2 LEU A 34 8.203 -16.952 -20.219 1.00 31.42 H new ATOM 0 HB3 LEU A 34 6.922 -17.850 -21.011 1.00 31.42 H new ATOM 0 HG LEU A 34 7.633 -15.723 -22.149 1.00 24.33 H new ATOM 0 HD11 LEU A 34 5.335 -15.022 -22.691 1.00 54.34 H new ATOM 0 HD12 LEU A 34 5.491 -16.794 -22.638 1.00 54.34 H new ATOM 0 HD13 LEU A 34 4.732 -15.926 -21.282 1.00 54.34 H new ATOM 0 HD21 LEU A 34 6.753 -13.601 -21.257 1.00 70.31 H new ATOM 0 HD22 LEU A 34 6.206 -14.450 -19.791 1.00 70.31 H new ATOM 0 HD23 LEU A 34 7.943 -14.336 -20.157 1.00 70.31 H new ATOM 521 N ASN A 35 3.969 -17.413 -19.233 1.00 60.52 N ATOM 522 CA ASN A 35 2.771 -18.239 -19.338 1.00 1.31 C ATOM 523 C ASN A 35 2.682 -19.218 -18.172 1.00 32.43 C ATOM 524 O ASN A 35 2.031 -20.258 -18.271 1.00 12.23 O ATOM 525 CB ASN A 35 2.768 -19.004 -20.663 1.00 12.12 C ATOM 526 CG ASN A 35 2.543 -18.094 -21.855 1.00 60.32 C ATOM 527 OD1 ASN A 35 1.417 -17.677 -22.128 1.00 64.24 O ATOM 528 ND2 ASN A 35 3.617 -17.783 -22.572 1.00 55.41 N ATOM 0 H ASN A 35 3.786 -16.414 -19.137 1.00 60.52 H new ATOM 0 HA ASN A 35 1.902 -17.582 -19.304 1.00 1.31 H new ATOM 0 HB2 ASN A 35 3.718 -19.525 -20.781 1.00 12.12 H new ATOM 0 HB3 ASN A 35 1.988 -19.765 -20.638 1.00 12.12 H new ATOM 0 HD21 ASN A 35 3.528 -17.175 -23.386 1.00 55.41 H new ATOM 0 HD22 ASN A 35 4.531 -18.152 -22.308 1.00 55.41 H new ATOM 535 N GLU A 36 3.340 -18.878 -17.068 1.00 42.01 N ATOM 536 CA GLU A 36 3.335 -19.728 -15.883 1.00 71.14 C ATOM 537 C GLU A 36 3.620 -18.911 -14.626 1.00 62.34 C ATOM 538 O GLU A 36 4.409 -17.967 -14.654 1.00 14.13 O ATOM 539 CB GLU A 36 4.371 -20.845 -16.025 1.00 41.12 C ATOM 540 CG GLU A 36 4.299 -21.886 -14.921 1.00 2.24 C ATOM 541 CD GLU A 36 4.930 -23.205 -15.321 1.00 31.55 C ATOM 542 OE1 GLU A 36 6.172 -23.260 -15.435 1.00 1.41 O ATOM 543 OE2 GLU A 36 4.180 -24.185 -15.519 1.00 2.51 O ATOM 0 H GLU A 36 3.883 -18.020 -16.970 1.00 42.01 H new ATOM 0 HA GLU A 36 2.344 -20.172 -15.790 1.00 71.14 H new ATOM 0 HB2 GLU A 36 4.232 -21.338 -16.987 1.00 41.12 H new ATOM 0 HB3 GLU A 36 5.368 -20.405 -16.034 1.00 41.12 H new ATOM 0 HG2 GLU A 36 4.800 -21.503 -14.032 1.00 2.24 H new ATOM 0 HG3 GLU A 36 3.256 -22.053 -14.652 1.00 2.24 H new ATOM 550 N GLU A 37 2.972 -19.283 -13.527 1.00 0.53 N ATOM 551 CA GLU A 37 3.155 -18.583 -12.260 1.00 60.42 C ATOM 552 C GLU A 37 3.853 -19.479 -11.240 1.00 43.45 C ATOM 553 O GLU A 37 4.006 -20.680 -11.456 1.00 63.51 O ATOM 554 CB GLU A 37 1.805 -18.120 -11.708 1.00 43.34 C ATOM 555 CG GLU A 37 0.940 -19.253 -11.184 1.00 23.43 C ATOM 556 CD GLU A 37 -0.042 -18.795 -10.123 1.00 24.21 C ATOM 557 OE1 GLU A 37 0.351 -17.980 -9.263 1.00 1.24 O ATOM 558 OE2 GLU A 37 -1.203 -19.252 -10.154 1.00 34.42 O ATOM 0 H GLU A 37 2.317 -20.064 -13.488 1.00 0.53 H new ATOM 0 HA GLU A 37 3.783 -17.711 -12.443 1.00 60.42 H new ATOM 0 HB2 GLU A 37 1.977 -17.404 -10.904 1.00 43.34 H new ATOM 0 HB3 GLU A 37 1.262 -17.593 -12.493 1.00 43.34 H new ATOM 0 HG2 GLU A 37 0.391 -19.699 -12.013 1.00 23.43 H new ATOM 0 HG3 GLU A 37 1.580 -20.032 -10.769 1.00 23.43 H new ATOM 565 N MET A 38 4.275 -18.883 -10.130 1.00 21.02 N ATOM 566 CA MET A 38 4.957 -19.626 -9.076 1.00 74.23 C ATOM 567 C MET A 38 4.145 -19.606 -7.785 1.00 4.13 C ATOM 568 O MET A 38 3.022 -19.105 -7.755 1.00 72.14 O ATOM 569 CB MET A 38 6.348 -19.040 -8.828 1.00 31.44 C ATOM 570 CG MET A 38 6.364 -17.522 -8.759 1.00 5.05 C ATOM 571 SD MET A 38 6.853 -16.761 -10.318 1.00 42.04 S ATOM 572 CE MET A 38 8.626 -16.635 -10.093 1.00 15.42 C ATOM 0 H MET A 38 4.157 -17.888 -9.937 1.00 21.02 H new ATOM 0 HA MET A 38 5.060 -20.661 -9.403 1.00 74.23 H new ATOM 0 HB2 MET A 38 6.742 -19.442 -7.894 1.00 31.44 H new ATOM 0 HB3 MET A 38 7.018 -19.367 -9.623 1.00 31.44 H new ATOM 0 HG2 MET A 38 5.373 -17.164 -8.480 1.00 5.05 H new ATOM 0 HG3 MET A 38 7.050 -17.205 -7.974 1.00 5.05 H new ATOM 0 HE1 MET A 38 9.116 -16.615 -11.067 1.00 15.42 H new ATOM 0 HE2 MET A 38 8.860 -15.719 -9.551 1.00 15.42 H new ATOM 0 HE3 MET A 38 8.983 -17.494 -9.525 1.00 15.42 H new ATOM 648 N GLY A 44 11.412 -18.143 -10.284 1.00 4.31 N ATOM 649 CA GLY A 44 10.897 -18.851 -11.441 1.00 12.01 C ATOM 650 C GLY A 44 11.997 -19.308 -12.379 1.00 13.24 C ATOM 651 O GLY A 44 12.879 -20.073 -11.987 1.00 15.11 O ATOM 0 HA2 GLY A 44 10.325 -19.717 -11.108 1.00 12.01 H new ATOM 0 HA3 GLY A 44 10.208 -18.203 -11.983 1.00 12.01 H new ATOM 655 N HIS A 45 11.945 -18.839 -13.622 1.00 30.54 N ATOM 656 CA HIS A 45 12.945 -19.206 -14.619 1.00 15.22 C ATOM 657 C HIS A 45 14.096 -18.205 -14.627 1.00 52.31 C ATOM 658 O HIS A 45 15.239 -18.556 -14.335 1.00 72.50 O ATOM 659 CB HIS A 45 12.308 -19.280 -16.007 1.00 14.22 C ATOM 660 CG HIS A 45 12.333 -20.653 -16.605 1.00 41.40 C ATOM 661 ND1 HIS A 45 13.491 -21.385 -16.759 1.00 21.11 N ATOM 662 CD2 HIS A 45 11.333 -21.427 -17.087 1.00 50.11 C ATOM 663 CE1 HIS A 45 13.203 -22.550 -17.311 1.00 55.13 C ATOM 664 NE2 HIS A 45 11.899 -22.601 -17.520 1.00 43.52 N ATOM 0 H HIS A 45 11.222 -18.205 -13.963 1.00 30.54 H new ATOM 0 HA HIS A 45 13.342 -20.187 -14.357 1.00 15.22 H new ATOM 0 HB2 HIS A 45 11.275 -18.940 -15.942 1.00 14.22 H new ATOM 0 HB3 HIS A 45 12.829 -18.593 -16.674 1.00 14.22 H new ATOM 0 HD2 HIS A 45 10.285 -21.169 -17.124 1.00 50.11 H new ATOM 0 HE1 HIS A 45 13.912 -23.328 -17.551 1.00 55.13 H new ATOM 0 HE2 HIS A 45 11.395 -23.385 -17.935 1.00 43.52 H new ATOM 672 N TRP A 46 13.787 -16.958 -14.964 1.00 15.11 N ATOM 673 CA TRP A 46 14.796 -15.906 -15.011 1.00 21.30 C ATOM 674 C TRP A 46 15.429 -15.698 -13.640 1.00 4.12 C ATOM 675 O TRP A 46 14.823 -16.003 -12.613 1.00 20.20 O ATOM 676 CB TRP A 46 14.176 -14.598 -15.504 1.00 45.24 C ATOM 677 CG TRP A 46 13.704 -14.663 -16.925 1.00 71.13 C ATOM 678 CD1 TRP A 46 14.454 -14.966 -18.025 1.00 62.24 C ATOM 679 CD2 TRP A 46 12.375 -14.418 -17.399 1.00 1.35 C ATOM 680 NE1 TRP A 46 13.672 -14.924 -19.154 1.00 52.02 N ATOM 681 CE2 TRP A 46 12.392 -14.591 -18.796 1.00 42.34 C ATOM 682 CE3 TRP A 46 11.172 -14.071 -16.778 1.00 3.24 C ATOM 683 CZ2 TRP A 46 11.253 -14.427 -19.580 1.00 43.14 C ATOM 684 CZ3 TRP A 46 10.043 -13.908 -17.557 1.00 71.31 C ATOM 685 CH2 TRP A 46 10.089 -14.087 -18.946 1.00 64.11 C ATOM 0 H TRP A 46 12.846 -16.651 -15.209 1.00 15.11 H new ATOM 0 HA TRP A 46 15.576 -16.215 -15.707 1.00 21.30 H new ATOM 0 HB2 TRP A 46 13.335 -14.338 -14.861 1.00 45.24 H new ATOM 0 HB3 TRP A 46 14.910 -13.798 -15.409 1.00 45.24 H new ATOM 0 HD1 TRP A 46 15.507 -15.204 -18.010 1.00 62.24 H new ATOM 0 HE1 TRP A 46 13.992 -15.110 -20.104 1.00 52.02 H new ATOM 0 HE3 TRP A 46 11.126 -13.933 -15.708 1.00 3.24 H new ATOM 0 HZ2 TRP A 46 11.287 -14.563 -20.651 1.00 43.14 H new ATOM 0 HZ3 TRP A 46 9.109 -13.638 -17.087 1.00 71.31 H new ATOM 0 HH2 TRP A 46 9.189 -13.954 -19.527 1.00 64.11 H new ATOM 696 N SER A 47 16.652 -15.176 -13.630 1.00 71.23 N ATOM 697 CA SER A 47 17.369 -14.930 -12.384 1.00 75.54 C ATOM 698 C SER A 47 18.461 -13.884 -12.583 1.00 60.32 C ATOM 699 O SER A 47 19.472 -14.143 -13.237 1.00 13.11 O ATOM 700 CB SER A 47 17.981 -16.230 -11.859 1.00 31.23 C ATOM 701 OG SER A 47 18.969 -16.724 -12.746 1.00 50.04 O ATOM 0 H SER A 47 17.167 -14.915 -14.471 1.00 71.23 H new ATOM 0 HA SER A 47 16.656 -14.550 -11.652 1.00 75.54 H new ATOM 0 HB2 SER A 47 18.423 -16.057 -10.878 1.00 31.23 H new ATOM 0 HB3 SER A 47 17.198 -16.977 -11.729 1.00 31.23 H new ATOM 0 HG SER A 47 19.407 -15.973 -13.199 1.00 50.04 H new ATOM 707 N ARG A 48 18.250 -12.702 -12.015 1.00 13.24 N ATOM 708 CA ARG A 48 19.215 -11.615 -12.130 1.00 30.33 C ATOM 709 C ARG A 48 19.043 -10.613 -10.992 1.00 42.33 C ATOM 710 O ARG A 48 17.993 -10.559 -10.352 1.00 51.34 O ATOM 711 CB ARG A 48 19.059 -10.907 -13.476 1.00 51.44 C ATOM 712 CG ARG A 48 20.380 -10.623 -14.172 1.00 61.34 C ATOM 713 CD ARG A 48 20.821 -9.183 -13.966 1.00 12.40 C ATOM 714 NE ARG A 48 22.237 -9.087 -13.622 1.00 30.40 N ATOM 715 CZ ARG A 48 23.218 -9.183 -14.513 1.00 13.02 C ATOM 716 NH1 ARG A 48 22.937 -9.375 -15.794 1.00 43.14 N ATOM 717 NH2 ARG A 48 24.482 -9.086 -14.122 1.00 41.13 N ATOM 0 H ARG A 48 17.419 -12.472 -11.470 1.00 13.24 H new ATOM 0 HA ARG A 48 20.216 -12.042 -12.066 1.00 30.33 H new ATOM 0 HB2 ARG A 48 18.438 -11.520 -14.129 1.00 51.44 H new ATOM 0 HB3 ARG A 48 18.529 -9.967 -13.323 1.00 51.44 H new ATOM 0 HG2 ARG A 48 21.146 -11.297 -13.789 1.00 61.34 H new ATOM 0 HG3 ARG A 48 20.281 -10.825 -15.239 1.00 61.34 H new ATOM 0 HD2 ARG A 48 20.629 -8.612 -14.874 1.00 12.40 H new ATOM 0 HD3 ARG A 48 20.224 -8.731 -13.174 1.00 12.40 H new ATOM 0 HE ARG A 48 22.487 -8.938 -12.644 1.00 30.40 H new ATOM 0 HH11 ARG A 48 21.966 -9.449 -16.098 1.00 43.14 H new ATOM 0 HH12 ARG A 48 23.692 -9.448 -16.476 1.00 43.14 H new ATOM 0 HH21 ARG A 48 24.701 -8.938 -13.137 1.00 41.13 H new ATOM 0 HH22 ARG A 48 25.235 -9.160 -14.806 1.00 41.13 H new ATOM 731 N ASP A 49 20.082 -9.822 -10.746 1.00 54.43 N ATOM 732 CA ASP A 49 20.046 -8.820 -9.687 1.00 31.34 C ATOM 733 C ASP A 49 20.810 -7.566 -10.098 1.00 40.24 C ATOM 734 O ASP A 49 22.040 -7.566 -10.151 1.00 23.00 O ATOM 735 CB ASP A 49 20.636 -9.391 -8.396 1.00 72.32 C ATOM 736 CG ASP A 49 19.582 -9.625 -7.331 1.00 40.55 C ATOM 737 OD1 ASP A 49 18.964 -8.637 -6.883 1.00 54.21 O ATOM 738 OD2 ASP A 49 19.376 -10.795 -6.946 1.00 3.40 O ATOM 0 H ASP A 49 20.959 -9.855 -11.265 1.00 54.43 H new ATOM 0 HA ASP A 49 19.005 -8.548 -9.513 1.00 31.34 H new ATOM 0 HB2 ASP A 49 21.141 -10.332 -8.616 1.00 72.32 H new ATOM 0 HB3 ASP A 49 21.391 -8.706 -8.011 1.00 72.32 H new ATOM 743 N ILE A 50 20.073 -6.499 -10.390 1.00 60.52 N ATOM 744 CA ILE A 50 20.682 -5.239 -10.797 1.00 74.01 C ATOM 745 C ILE A 50 21.042 -4.386 -9.586 1.00 25.35 C ATOM 746 O ILE A 50 20.169 -3.815 -8.932 1.00 3.25 O ATOM 747 CB ILE A 50 19.746 -4.433 -11.717 1.00 73.34 C ATOM 748 CG1 ILE A 50 19.180 -5.332 -12.819 1.00 44.02 C ATOM 749 CG2 ILE A 50 20.486 -3.249 -12.320 1.00 65.13 C ATOM 750 CD1 ILE A 50 20.198 -5.710 -13.872 1.00 42.35 C ATOM 0 H ILE A 50 19.054 -6.482 -10.352 1.00 60.52 H new ATOM 0 HA ILE A 50 21.590 -5.490 -11.345 1.00 74.01 H new ATOM 0 HB ILE A 50 18.916 -4.052 -11.122 1.00 73.34 H new ATOM 0 HG12 ILE A 50 18.782 -6.241 -12.367 1.00 44.02 H new ATOM 0 HG13 ILE A 50 18.345 -4.823 -13.299 1.00 44.02 H new ATOM 0 HG21 ILE A 50 19.811 -2.690 -12.968 1.00 65.13 H new ATOM 0 HG22 ILE A 50 20.845 -2.599 -11.522 1.00 65.13 H new ATOM 0 HG23 ILE A 50 21.334 -3.609 -12.903 1.00 65.13 H new ATOM 0 HD11 ILE A 50 19.728 -6.347 -14.621 1.00 42.35 H new ATOM 0 HD12 ILE A 50 20.578 -4.808 -14.351 1.00 42.35 H new ATOM 0 HD13 ILE A 50 21.023 -6.248 -13.404 1.00 42.35 H new ATOM 762 N THR A 51 22.336 -4.303 -9.292 1.00 4.14 N ATOM 763 CA THR A 51 22.814 -3.519 -8.159 1.00 71.53 C ATOM 764 C THR A 51 23.251 -2.127 -8.599 1.00 63.14 C ATOM 765 O THR A 51 24.142 -1.525 -7.998 1.00 73.55 O ATOM 766 CB THR A 51 23.992 -4.215 -7.452 1.00 31.35 C ATOM 767 OG1 THR A 51 24.991 -4.583 -8.409 1.00 74.44 O ATOM 768 CG2 THR A 51 23.519 -5.453 -6.703 1.00 41.35 C ATOM 0 H THR A 51 23.072 -4.769 -9.823 1.00 4.14 H new ATOM 0 HA THR A 51 21.981 -3.432 -7.461 1.00 71.53 H new ATOM 0 HB THR A 51 24.419 -3.516 -6.733 1.00 31.35 H new ATOM 0 HG1 THR A 51 25.737 -5.023 -7.950 1.00 74.44 H new ATOM 0 HG21 THR A 51 24.368 -5.928 -6.212 1.00 41.35 H new ATOM 0 HG22 THR A 51 22.781 -5.165 -5.954 1.00 41.35 H new ATOM 0 HG23 THR A 51 23.068 -6.154 -7.406 1.00 41.35 H new ATOM 776 N LYS A 52 22.619 -1.619 -9.652 1.00 3.31 N ATOM 777 CA LYS A 52 22.941 -0.295 -10.172 1.00 62.34 C ATOM 778 C LYS A 52 22.019 0.073 -11.330 1.00 14.32 C ATOM 779 O LYS A 52 22.053 -0.534 -12.400 1.00 73.11 O ATOM 780 CB LYS A 52 24.400 -0.247 -10.634 1.00 13.14 C ATOM 781 CG LYS A 52 25.262 0.707 -9.825 1.00 71.02 C ATOM 782 CD LYS A 52 26.269 1.430 -10.704 1.00 73.22 C ATOM 783 CE LYS A 52 27.161 2.352 -9.887 1.00 60.24 C ATOM 784 NZ LYS A 52 28.604 2.139 -10.190 1.00 35.32 N ATOM 0 H LYS A 52 21.881 -2.104 -10.162 1.00 3.31 H new ATOM 0 HA LYS A 52 22.796 0.428 -9.370 1.00 62.34 H new ATOM 0 HB2 LYS A 52 24.825 -1.249 -10.573 1.00 13.14 H new ATOM 0 HB3 LYS A 52 24.431 0.049 -11.683 1.00 13.14 H new ATOM 0 HG2 LYS A 52 24.626 1.436 -9.323 1.00 71.02 H new ATOM 0 HG3 LYS A 52 25.788 0.153 -9.047 1.00 71.02 H new ATOM 0 HD2 LYS A 52 26.884 0.700 -11.231 1.00 73.22 H new ATOM 0 HD3 LYS A 52 25.742 2.010 -11.462 1.00 73.22 H new ATOM 0 HE2 LYS A 52 26.896 3.389 -10.092 1.00 60.24 H new ATOM 0 HE3 LYS A 52 26.984 2.182 -8.825 1.00 60.24 H new ATOM 0 HZ1 LYS A 52 29.179 2.786 -9.613 1.00 35.32 H new ATOM 0 HZ2 LYS A 52 28.863 1.156 -9.971 1.00 35.32 H new ATOM 0 HZ3 LYS A 52 28.778 2.326 -11.198 1.00 35.32 H new ATOM 798 N PRO A 53 21.175 1.093 -11.113 1.00 54.13 N ATOM 799 CA PRO A 53 20.228 1.567 -12.128 1.00 24.31 C ATOM 800 C PRO A 53 20.926 2.263 -13.291 1.00 63.23 C ATOM 801 O PRO A 53 22.154 2.352 -13.329 1.00 73.24 O ATOM 802 CB PRO A 53 19.351 2.558 -11.360 1.00 5.55 C ATOM 803 CG PRO A 53 20.208 3.030 -10.235 1.00 60.25 C ATOM 804 CD PRO A 53 21.080 1.863 -9.862 1.00 35.25 C ATOM 0 HA PRO A 53 19.671 0.747 -12.581 1.00 24.31 H new ATOM 0 HB2 PRO A 53 19.040 3.387 -11.996 1.00 5.55 H new ATOM 0 HB3 PRO A 53 18.443 2.081 -10.992 1.00 5.55 H new ATOM 0 HG2 PRO A 53 20.810 3.887 -10.536 1.00 60.25 H new ATOM 0 HG3 PRO A 53 19.600 3.349 -9.389 1.00 60.25 H new ATOM 0 HD2 PRO A 53 22.061 2.189 -9.516 1.00 35.25 H new ATOM 0 HD3 PRO A 53 20.639 1.272 -9.059 1.00 35.25 H new ATOM 812 N LYS A 54 20.137 2.756 -14.239 1.00 75.02 N ATOM 813 CA LYS A 54 20.678 3.446 -15.404 1.00 14.41 C ATOM 814 C LYS A 54 19.558 4.030 -16.259 1.00 53.13 C ATOM 815 O LYS A 54 18.547 3.374 -16.507 1.00 62.22 O ATOM 816 CB LYS A 54 21.527 2.488 -16.242 1.00 31.23 C ATOM 817 CG LYS A 54 20.757 1.819 -17.367 1.00 63.52 C ATOM 818 CD LYS A 54 19.684 0.886 -16.831 1.00 61.22 C ATOM 819 CE LYS A 54 20.258 -0.476 -16.472 1.00 70.35 C ATOM 820 NZ LYS A 54 20.483 -0.615 -15.007 1.00 1.11 N ATOM 0 H LYS A 54 19.119 2.690 -14.223 1.00 75.02 H new ATOM 0 HA LYS A 54 21.306 4.264 -15.051 1.00 14.41 H new ATOM 0 HB2 LYS A 54 22.368 3.037 -16.665 1.00 31.23 H new ATOM 0 HB3 LYS A 54 21.943 1.720 -15.590 1.00 31.23 H new ATOM 0 HG2 LYS A 54 20.297 2.580 -17.997 1.00 63.52 H new ATOM 0 HG3 LYS A 54 21.447 1.258 -17.997 1.00 63.52 H new ATOM 0 HD2 LYS A 54 19.221 1.330 -15.950 1.00 61.22 H new ATOM 0 HD3 LYS A 54 18.899 0.766 -17.577 1.00 61.22 H new ATOM 0 HE2 LYS A 54 19.578 -1.257 -16.811 1.00 70.35 H new ATOM 0 HE3 LYS A 54 21.200 -0.623 -17.000 1.00 70.35 H new ATOM 0 HZ1 LYS A 54 20.510 -1.623 -14.754 1.00 1.11 H new ATOM 0 HZ2 LYS A 54 21.387 -0.170 -14.751 1.00 1.11 H new ATOM 0 HZ3 LYS A 54 19.709 -0.149 -14.491 1.00 1.11 H new ATOM 834 N ASN A 55 19.746 5.267 -16.709 1.00 35.24 N ATOM 835 CA ASN A 55 18.751 5.938 -17.537 1.00 51.24 C ATOM 836 C ASN A 55 17.652 6.554 -16.677 1.00 1.41 C ATOM 837 O ASN A 55 16.646 7.041 -17.191 1.00 1.30 O ATOM 838 CB ASN A 55 18.140 4.953 -18.536 1.00 50.11 C ATOM 839 CG ASN A 55 17.864 5.592 -19.884 1.00 4.14 C ATOM 840 OD1 ASN A 55 18.787 5.999 -20.591 1.00 33.45 O ATOM 841 ND2 ASN A 55 16.590 5.684 -20.245 1.00 71.31 N ATOM 0 H ASN A 55 20.578 5.824 -16.514 1.00 35.24 H new ATOM 0 HA ASN A 55 19.251 6.738 -18.084 1.00 51.24 H new ATOM 0 HB2 ASN A 55 18.816 4.108 -18.669 1.00 50.11 H new ATOM 0 HB3 ASN A 55 17.210 4.556 -18.128 1.00 50.11 H new ATOM 0 HD21 ASN A 55 16.343 6.105 -21.140 1.00 71.31 H new ATOM 0 HD22 ASN A 55 15.858 5.333 -19.627 1.00 71.31 H new ATOM 848 N GLY A 56 17.853 6.530 -15.363 1.00 21.33 N ATOM 849 CA GLY A 56 16.872 7.089 -14.452 1.00 12.15 C ATOM 850 C GLY A 56 15.991 6.027 -13.825 1.00 33.32 C ATOM 851 O GLY A 56 15.189 6.320 -12.938 1.00 74.01 O ATOM 0 H GLY A 56 18.678 6.133 -14.913 1.00 21.33 H new ATOM 0 HA2 GLY A 56 17.385 7.642 -13.665 1.00 12.15 H new ATOM 0 HA3 GLY A 56 16.248 7.804 -14.989 1.00 12.15 H new ATOM 855 N ARG A 57 16.138 4.790 -14.287 1.00 63.51 N ATOM 856 CA ARG A 57 15.347 3.680 -13.768 1.00 2.51 C ATOM 857 C ARG A 57 16.092 2.359 -13.930 1.00 20.42 C ATOM 858 O ARG A 57 17.163 2.308 -14.535 1.00 55.45 O ATOM 859 CB ARG A 57 13.998 3.609 -14.485 1.00 32.00 C ATOM 860 CG ARG A 57 13.889 4.550 -15.674 1.00 23.31 C ATOM 861 CD ARG A 57 13.484 5.950 -15.241 1.00 73.12 C ATOM 862 NE ARG A 57 12.304 6.425 -15.960 1.00 25.10 N ATOM 863 CZ ARG A 57 11.888 7.686 -15.937 1.00 1.12 C ATOM 864 NH1 ARG A 57 12.552 8.594 -15.235 1.00 1.11 N ATOM 865 NH2 ARG A 57 10.806 8.041 -16.617 1.00 53.41 N ATOM 0 H ARG A 57 16.798 4.531 -15.020 1.00 63.51 H new ATOM 0 HA ARG A 57 15.177 3.853 -12.705 1.00 2.51 H new ATOM 0 HB2 ARG A 57 13.830 2.587 -14.825 1.00 32.00 H new ATOM 0 HB3 ARG A 57 13.206 3.843 -13.774 1.00 32.00 H new ATOM 0 HG2 ARG A 57 14.845 4.592 -16.195 1.00 23.31 H new ATOM 0 HG3 ARG A 57 13.157 4.161 -16.382 1.00 23.31 H new ATOM 0 HD2 ARG A 57 13.282 5.954 -14.170 1.00 73.12 H new ATOM 0 HD3 ARG A 57 14.313 6.636 -15.412 1.00 73.12 H new ATOM 0 HE ARG A 57 11.771 5.751 -16.510 1.00 25.10 H new ATOM 0 HH11 ARG A 57 13.385 8.325 -14.711 1.00 1.11 H new ATOM 0 HH12 ARG A 57 12.230 9.562 -15.219 1.00 1.11 H new ATOM 0 HH21 ARG A 57 10.293 7.345 -17.158 1.00 53.41 H new ATOM 0 HH22 ARG A 57 10.487 9.010 -16.599 1.00 53.41 H new ATOM 879 N TRP A 58 15.519 1.292 -13.384 1.00 53.15 N ATOM 880 CA TRP A 58 16.129 -0.030 -13.468 1.00 73.11 C ATOM 881 C TRP A 58 15.650 -0.773 -14.710 1.00 75.22 C ATOM 882 O TRP A 58 14.511 -1.238 -14.765 1.00 73.33 O ATOM 883 CB TRP A 58 15.804 -0.844 -12.215 1.00 22.34 C ATOM 884 CG TRP A 58 16.006 -0.080 -10.941 1.00 75.02 C ATOM 885 CD1 TRP A 58 15.173 0.865 -10.412 1.00 64.21 C ATOM 886 CD2 TRP A 58 17.111 -0.195 -10.039 1.00 11.34 C ATOM 887 NE1 TRP A 58 15.695 1.344 -9.235 1.00 10.43 N ATOM 888 CE2 TRP A 58 16.883 0.710 -8.983 1.00 75.21 C ATOM 889 CE3 TRP A 58 18.270 -0.975 -10.018 1.00 2.21 C ATOM 890 CZ2 TRP A 58 17.772 0.854 -7.922 1.00 12.44 C ATOM 891 CZ3 TRP A 58 19.152 -0.830 -8.964 1.00 11.22 C ATOM 892 CH2 TRP A 58 18.899 0.078 -7.927 1.00 53.21 C ATOM 0 H TRP A 58 14.633 1.317 -12.879 1.00 53.15 H new ATOM 0 HA TRP A 58 17.209 0.099 -13.539 1.00 73.11 H new ATOM 0 HB2 TRP A 58 14.769 -1.181 -12.268 1.00 22.34 H new ATOM 0 HB3 TRP A 58 16.429 -1.737 -12.198 1.00 22.34 H new ATOM 0 HD1 TRP A 58 14.242 1.188 -10.854 1.00 64.21 H new ATOM 0 HE1 TRP A 58 15.267 2.057 -8.644 1.00 10.43 H new ATOM 0 HE3 TRP A 58 18.473 -1.679 -10.812 1.00 2.21 H new ATOM 0 HZ2 TRP A 58 17.579 1.554 -7.122 1.00 12.44 H new ATOM 0 HZ3 TRP A 58 20.052 -1.427 -8.939 1.00 11.22 H new ATOM 0 HH2 TRP A 58 19.607 0.167 -7.116 1.00 53.21 H new ATOM 903 N ILE A 59 16.525 -0.881 -15.704 1.00 74.32 N ATOM 904 CA ILE A 59 16.190 -1.569 -16.945 1.00 33.43 C ATOM 905 C ILE A 59 16.907 -2.912 -17.040 1.00 11.24 C ATOM 906 O ILE A 59 18.031 -3.063 -16.560 1.00 12.41 O ATOM 907 CB ILE A 59 16.552 -0.718 -18.176 1.00 71.41 C ATOM 908 CG1 ILE A 59 15.990 0.697 -18.028 1.00 3.20 C ATOM 909 CG2 ILE A 59 16.026 -1.372 -19.445 1.00 64.52 C ATOM 910 CD1 ILE A 59 16.624 1.700 -18.966 1.00 44.13 C ATOM 0 H ILE A 59 17.471 -0.501 -15.674 1.00 74.32 H new ATOM 0 HA ILE A 59 15.113 -1.735 -16.933 1.00 33.43 H new ATOM 0 HB ILE A 59 17.638 -0.652 -18.247 1.00 71.41 H new ATOM 0 HG12 ILE A 59 14.915 0.673 -18.207 1.00 3.20 H new ATOM 0 HG13 ILE A 59 16.134 1.031 -17.000 1.00 3.20 H new ATOM 0 HG21 ILE A 59 16.290 -0.759 -20.307 1.00 64.52 H new ATOM 0 HG22 ILE A 59 16.469 -2.362 -19.555 1.00 64.52 H new ATOM 0 HG23 ILE A 59 14.942 -1.465 -19.384 1.00 64.52 H new ATOM 0 HD11 ILE A 59 16.177 2.681 -18.806 1.00 44.13 H new ATOM 0 HD12 ILE A 59 17.695 1.753 -18.772 1.00 44.13 H new ATOM 0 HD13 ILE A 59 16.457 1.390 -19.997 1.00 44.13 H new ATOM 922 N PHE A 60 16.250 -3.884 -17.663 1.00 64.43 N ATOM 923 CA PHE A 60 16.825 -5.215 -17.823 1.00 5.05 C ATOM 924 C PHE A 60 16.444 -5.814 -19.173 1.00 20.30 C ATOM 925 O PHE A 60 15.372 -5.532 -19.709 1.00 45.51 O ATOM 926 CB PHE A 60 16.357 -6.135 -16.693 1.00 51.31 C ATOM 927 CG PHE A 60 16.762 -7.569 -16.881 1.00 13.11 C ATOM 928 CD1 PHE A 60 18.079 -7.901 -17.152 1.00 4.14 C ATOM 929 CD2 PHE A 60 15.824 -8.585 -16.787 1.00 64.05 C ATOM 930 CE1 PHE A 60 18.455 -9.220 -17.325 1.00 4.33 C ATOM 931 CE2 PHE A 60 16.194 -9.905 -16.959 1.00 65.52 C ATOM 932 CZ PHE A 60 17.511 -10.223 -17.229 1.00 63.23 C ATOM 0 H PHE A 60 15.319 -3.776 -18.065 1.00 64.43 H new ATOM 0 HA PHE A 60 17.910 -5.122 -17.781 1.00 5.05 H new ATOM 0 HB2 PHE A 60 16.762 -5.772 -15.748 1.00 51.31 H new ATOM 0 HB3 PHE A 60 15.271 -6.080 -16.616 1.00 51.31 H new ATOM 0 HD1 PHE A 60 18.821 -7.120 -17.229 1.00 4.14 H new ATOM 0 HD2 PHE A 60 14.793 -8.342 -16.577 1.00 64.05 H new ATOM 0 HE1 PHE A 60 19.486 -9.466 -17.535 1.00 4.33 H new ATOM 0 HE2 PHE A 60 15.454 -10.688 -16.882 1.00 65.52 H new ATOM 0 HZ PHE A 60 17.802 -11.254 -17.365 1.00 63.23 H new ATOM 942 N ARG A 61 17.329 -6.643 -19.717 1.00 43.21 N ATOM 943 CA ARG A 61 17.087 -7.281 -21.005 1.00 41.14 C ATOM 944 C ARG A 61 17.572 -8.728 -20.995 1.00 44.54 C ATOM 945 O ARG A 61 18.684 -9.017 -20.551 1.00 53.15 O ATOM 946 CB ARG A 61 17.787 -6.505 -22.123 1.00 11.34 C ATOM 947 CG ARG A 61 17.757 -4.998 -21.928 1.00 3.51 C ATOM 948 CD ARG A 61 18.975 -4.511 -21.158 1.00 62.20 C ATOM 949 NE ARG A 61 19.709 -3.481 -21.889 1.00 22.45 N ATOM 950 CZ ARG A 61 20.870 -2.978 -21.482 1.00 74.35 C ATOM 951 NH1 ARG A 61 21.425 -3.408 -20.358 1.00 62.21 N ATOM 952 NH2 ARG A 61 21.477 -2.043 -22.202 1.00 71.31 N ATOM 0 H ARG A 61 18.220 -6.888 -19.286 1.00 43.21 H new ATOM 0 HA ARG A 61 16.012 -7.277 -21.187 1.00 41.14 H new ATOM 0 HB2 ARG A 61 18.824 -6.834 -22.188 1.00 11.34 H new ATOM 0 HB3 ARG A 61 17.315 -6.749 -23.074 1.00 11.34 H new ATOM 0 HG2 ARG A 61 17.718 -4.505 -22.899 1.00 3.51 H new ATOM 0 HG3 ARG A 61 16.850 -4.717 -21.392 1.00 3.51 H new ATOM 0 HD2 ARG A 61 18.659 -4.115 -20.193 1.00 62.20 H new ATOM 0 HD3 ARG A 61 19.637 -5.353 -20.956 1.00 62.20 H new ATOM 0 HE ARG A 61 19.309 -3.129 -22.759 1.00 22.45 H new ATOM 0 HH11 ARG A 61 20.961 -4.127 -19.803 1.00 62.21 H new ATOM 0 HH12 ARG A 61 22.316 -3.020 -20.048 1.00 62.21 H new ATOM 0 HH21 ARG A 61 21.053 -1.710 -23.068 1.00 71.31 H new ATOM 0 HH22 ARG A 61 22.368 -1.657 -21.890 1.00 71.31 H new ATOM 966 N ASP A 62 16.732 -9.631 -21.487 1.00 20.31 N ATOM 967 CA ASP A 62 17.075 -11.048 -21.535 1.00 41.22 C ATOM 968 C ASP A 62 17.380 -11.485 -22.965 1.00 13.33 C ATOM 969 O ASP A 62 17.347 -10.675 -23.892 1.00 24.42 O ATOM 970 CB ASP A 62 15.934 -11.891 -20.963 1.00 41.44 C ATOM 971 CG ASP A 62 16.279 -12.493 -19.616 1.00 34.44 C ATOM 972 OD1 ASP A 62 17.378 -13.071 -19.488 1.00 61.23 O ATOM 973 OD2 ASP A 62 15.448 -12.388 -18.688 1.00 64.04 O ATOM 0 H ASP A 62 15.809 -9.408 -21.858 1.00 20.31 H new ATOM 0 HA ASP A 62 17.968 -11.201 -20.929 1.00 41.22 H new ATOM 0 HB2 ASP A 62 15.043 -11.271 -20.863 1.00 41.44 H new ATOM 0 HB3 ASP A 62 15.690 -12.690 -21.663 1.00 41.44 H new ATOM 978 N ARG A 63 17.676 -12.769 -23.135 1.00 45.11 N ATOM 979 CA ARG A 63 17.989 -13.313 -24.451 1.00 43.31 C ATOM 980 C ARG A 63 17.521 -14.761 -24.566 1.00 44.53 C ATOM 981 O ARG A 63 17.999 -15.512 -25.415 1.00 5.10 O ATOM 982 CB ARG A 63 19.494 -13.229 -24.717 1.00 34.14 C ATOM 983 CG ARG A 63 19.936 -11.897 -25.300 1.00 31.11 C ATOM 984 CD ARG A 63 21.437 -11.700 -25.162 1.00 4.40 C ATOM 985 NE ARG A 63 21.765 -10.453 -24.475 1.00 73.11 N ATOM 986 CZ ARG A 63 22.961 -9.878 -24.526 1.00 50.02 C ATOM 987 NH1 ARG A 63 23.938 -10.434 -25.229 1.00 21.21 N ATOM 988 NH2 ARG A 63 23.182 -8.744 -23.874 1.00 54.41 N ATOM 0 H ARG A 63 17.706 -13.452 -22.378 1.00 45.11 H new ATOM 0 HA ARG A 63 17.462 -12.718 -25.197 1.00 43.31 H new ATOM 0 HB2 ARG A 63 20.030 -13.403 -23.784 1.00 34.14 H new ATOM 0 HB3 ARG A 63 19.779 -14.028 -25.402 1.00 34.14 H new ATOM 0 HG2 ARG A 63 19.657 -11.849 -26.352 1.00 31.11 H new ATOM 0 HG3 ARG A 63 19.413 -11.085 -24.794 1.00 31.11 H new ATOM 0 HD2 ARG A 63 21.864 -12.539 -24.613 1.00 4.40 H new ATOM 0 HD3 ARG A 63 21.895 -11.700 -26.151 1.00 4.40 H new ATOM 0 HE ARG A 63 21.035 -9.999 -23.926 1.00 73.11 H new ATOM 0 HH11 ARG A 63 23.772 -11.305 -25.732 1.00 21.21 H new ATOM 0 HH12 ARG A 63 24.856 -9.990 -25.266 1.00 21.21 H new ATOM 0 HH21 ARG A 63 22.433 -8.313 -23.333 1.00 54.41 H new ATOM 0 HH22 ARG A 63 24.101 -8.303 -23.914 1.00 54.41 H new ATOM 1002 N ASN A 64 16.584 -15.144 -23.706 1.00 32.31 N ATOM 1003 CA ASN A 64 16.052 -16.502 -23.710 1.00 70.25 C ATOM 1004 C ASN A 64 14.530 -16.491 -23.599 1.00 44.13 C ATOM 1005 O ASN A 64 13.911 -17.517 -23.321 1.00 14.12 O ATOM 1006 CB ASN A 64 16.653 -17.311 -22.559 1.00 74.32 C ATOM 1007 CG ASN A 64 16.210 -16.801 -21.201 1.00 45.24 C ATOM 1008 OD1 ASN A 64 16.830 -15.903 -20.632 1.00 3.35 O ATOM 1009 ND2 ASN A 64 15.133 -17.373 -20.676 1.00 64.33 N ATOM 0 H ASN A 64 16.177 -14.534 -22.997 1.00 32.31 H new ATOM 0 HA ASN A 64 16.326 -16.970 -24.656 1.00 70.25 H new ATOM 0 HB2 ASN A 64 16.364 -18.357 -22.664 1.00 74.32 H new ATOM 0 HB3 ASN A 64 17.741 -17.274 -22.621 1.00 74.32 H new ATOM 0 HD21 ASN A 64 14.788 -17.071 -19.765 1.00 64.33 H new ATOM 0 HD22 ASN A 64 14.650 -18.114 -21.184 1.00 64.33 H new ATOM 1016 N ALA A 65 13.935 -15.323 -23.820 1.00 22.24 N ATOM 1017 CA ALA A 65 12.487 -15.178 -23.747 1.00 34.51 C ATOM 1018 C ALA A 65 11.876 -15.060 -25.139 1.00 42.32 C ATOM 1019 O ALA A 65 12.013 -14.032 -25.801 1.00 51.45 O ATOM 1020 CB ALA A 65 12.119 -13.968 -22.902 1.00 51.52 C ATOM 0 H ALA A 65 14.434 -14.464 -24.051 1.00 22.24 H new ATOM 0 HA ALA A 65 12.081 -16.073 -23.276 1.00 34.51 H new ATOM 0 HB1 ALA A 65 11.034 -13.872 -22.856 1.00 51.52 H new ATOM 0 HB2 ALA A 65 12.515 -14.094 -21.894 1.00 51.52 H new ATOM 0 HB3 ALA A 65 12.544 -13.069 -23.349 1.00 51.52 H new ATOM 1026 N ALA A 66 11.203 -16.119 -25.577 1.00 41.45 N ATOM 1027 CA ALA A 66 10.571 -16.132 -26.891 1.00 12.03 C ATOM 1028 C ALA A 66 9.063 -15.936 -26.776 1.00 31.20 C ATOM 1029 O ALA A 66 8.295 -16.897 -26.844 1.00 52.23 O ATOM 1030 CB ALA A 66 10.883 -17.434 -27.613 1.00 75.23 C ATOM 0 H ALA A 66 11.081 -16.979 -25.042 1.00 41.45 H new ATOM 0 HA ALA A 66 10.976 -15.302 -27.471 1.00 12.03 H new ATOM 0 HB1 ALA A 66 10.405 -17.430 -28.593 1.00 75.23 H new ATOM 0 HB2 ALA A 66 11.962 -17.533 -27.736 1.00 75.23 H new ATOM 0 HB3 ALA A 66 10.506 -18.273 -27.029 1.00 75.23 H new ATOM 1036 N LEU A 67 8.645 -14.688 -26.601 1.00 11.44 N ATOM 1037 CA LEU A 67 7.228 -14.366 -26.476 1.00 15.34 C ATOM 1038 C LEU A 67 6.824 -13.287 -27.475 1.00 51.33 C ATOM 1039 O LEU A 67 7.672 -12.694 -28.142 1.00 3.42 O ATOM 1040 CB LEU A 67 6.913 -13.901 -25.052 1.00 64.53 C ATOM 1041 CG LEU A 67 7.300 -12.461 -24.715 1.00 52.15 C ATOM 1042 CD1 LEU A 67 8.700 -12.151 -25.223 1.00 34.11 C ATOM 1043 CD2 LEU A 67 6.290 -11.486 -25.303 1.00 74.44 C ATOM 0 H LEU A 67 9.267 -13.882 -26.542 1.00 11.44 H new ATOM 0 HA LEU A 67 6.656 -15.268 -26.692 1.00 15.34 H new ATOM 0 HB2 LEU A 67 5.843 -14.018 -24.882 1.00 64.53 H new ATOM 0 HB3 LEU A 67 7.421 -14.566 -24.353 1.00 64.53 H new ATOM 0 HG LEU A 67 7.296 -12.349 -23.631 1.00 52.15 H new ATOM 0 HD11 LEU A 67 8.958 -11.122 -24.974 1.00 34.11 H new ATOM 0 HD12 LEU A 67 9.415 -12.828 -24.755 1.00 34.11 H new ATOM 0 HD13 LEU A 67 8.732 -12.281 -26.305 1.00 34.11 H new ATOM 0 HD21 LEU A 67 6.581 -10.466 -25.053 1.00 74.44 H new ATOM 0 HD22 LEU A 67 6.262 -11.600 -26.387 1.00 74.44 H new ATOM 0 HD23 LEU A 67 5.302 -11.693 -24.891 1.00 74.44 H new ATOM 1055 N LYS A 68 5.523 -13.035 -27.573 1.00 71.24 N ATOM 1056 CA LYS A 68 5.005 -12.025 -28.489 1.00 22.13 C ATOM 1057 C LYS A 68 3.623 -11.551 -28.051 1.00 22.23 C ATOM 1058 O LYS A 68 2.892 -12.278 -27.377 1.00 62.24 O ATOM 1059 CB LYS A 68 4.937 -12.584 -29.912 1.00 2.22 C ATOM 1060 CG LYS A 68 4.111 -13.853 -30.028 1.00 64.21 C ATOM 1061 CD LYS A 68 4.977 -15.095 -29.900 1.00 62.32 C ATOM 1062 CE LYS A 68 4.855 -15.989 -31.125 1.00 51.41 C ATOM 1063 NZ LYS A 68 5.878 -17.071 -31.127 1.00 10.31 N ATOM 0 H LYS A 68 4.807 -13.517 -27.029 1.00 71.24 H new ATOM 0 HA LYS A 68 5.684 -11.173 -28.472 1.00 22.13 H new ATOM 0 HB2 LYS A 68 4.516 -11.825 -30.572 1.00 2.22 H new ATOM 0 HB3 LYS A 68 5.949 -12.786 -30.263 1.00 2.22 H new ATOM 0 HG2 LYS A 68 3.344 -13.861 -29.253 1.00 64.21 H new ATOM 0 HG3 LYS A 68 3.594 -13.866 -30.988 1.00 64.21 H new ATOM 0 HD2 LYS A 68 6.018 -14.802 -29.765 1.00 62.32 H new ATOM 0 HD3 LYS A 68 4.685 -15.653 -29.010 1.00 62.32 H new ATOM 0 HE2 LYS A 68 3.859 -16.431 -31.154 1.00 51.41 H new ATOM 0 HE3 LYS A 68 4.963 -15.386 -32.027 1.00 51.41 H new ATOM 0 HZ1 LYS A 68 5.761 -17.658 -31.978 1.00 10.31 H new ATOM 0 HZ2 LYS A 68 6.829 -16.650 -31.125 1.00 10.31 H new ATOM 0 HZ3 LYS A 68 5.760 -17.662 -30.280 1.00 10.31 H new ATOM 1077 N ILE A 69 3.271 -10.330 -28.438 1.00 43.21 N ATOM 1078 CA ILE A 69 1.976 -9.761 -28.087 1.00 71.21 C ATOM 1079 C ILE A 69 0.920 -10.851 -27.937 1.00 54.25 C ATOM 1080 O ILE A 69 0.677 -11.626 -28.862 1.00 12.34 O ATOM 1081 CB ILE A 69 1.503 -8.745 -29.143 1.00 13.42 C ATOM 1082 CG1 ILE A 69 2.466 -7.558 -29.207 1.00 40.43 C ATOM 1083 CG2 ILE A 69 0.091 -8.272 -28.828 1.00 4.14 C ATOM 1084 CD1 ILE A 69 2.131 -6.453 -28.229 1.00 73.53 C ATOM 0 H ILE A 69 3.865 -9.715 -28.995 1.00 43.21 H new ATOM 0 HA ILE A 69 2.104 -9.248 -27.134 1.00 71.21 H new ATOM 0 HB ILE A 69 1.493 -9.234 -30.117 1.00 13.42 H new ATOM 0 HG12 ILE A 69 3.478 -7.911 -29.011 1.00 40.43 H new ATOM 0 HG13 ILE A 69 2.461 -7.151 -30.218 1.00 40.43 H new ATOM 0 HG21 ILE A 69 -0.229 -7.554 -29.583 1.00 4.14 H new ATOM 0 HG22 ILE A 69 -0.587 -9.125 -28.828 1.00 4.14 H new ATOM 0 HG23 ILE A 69 0.077 -7.797 -27.847 1.00 4.14 H new ATOM 0 HD11 ILE A 69 2.856 -5.645 -28.331 1.00 73.53 H new ATOM 0 HD12 ILE A 69 1.131 -6.072 -28.438 1.00 73.53 H new ATOM 0 HD13 ILE A 69 2.164 -6.844 -27.212 1.00 73.53 H new ATOM 1096 N GLY A 70 0.292 -10.903 -26.766 1.00 43.32 N ATOM 1097 CA GLY A 70 -0.732 -11.900 -26.517 1.00 54.31 C ATOM 1098 C GLY A 70 -0.383 -12.813 -25.359 1.00 61.43 C ATOM 1099 O GLY A 70 -1.268 -13.380 -24.717 1.00 41.54 O ATOM 0 H GLY A 70 0.475 -10.272 -25.986 1.00 43.32 H new ATOM 0 HA2 GLY A 70 -1.678 -11.400 -26.309 1.00 54.31 H new ATOM 0 HA3 GLY A 70 -0.878 -12.499 -27.416 1.00 54.31 H new ATOM 1103 N ASP A 71 0.910 -12.959 -25.092 1.00 62.34 N ATOM 1104 CA ASP A 71 1.375 -13.812 -24.004 1.00 51.33 C ATOM 1105 C ASP A 71 1.046 -13.191 -22.650 1.00 24.52 C ATOM 1106 O ASP A 71 0.413 -12.139 -22.574 1.00 53.41 O ATOM 1107 CB ASP A 71 2.882 -14.046 -24.120 1.00 31.34 C ATOM 1108 CG ASP A 71 3.213 -15.411 -24.691 1.00 4.11 C ATOM 1109 OD1 ASP A 71 2.305 -16.053 -25.259 1.00 63.14 O ATOM 1110 OD2 ASP A 71 4.381 -15.836 -24.570 1.00 60.43 O ATOM 0 H ASP A 71 1.655 -12.498 -25.614 1.00 62.34 H new ATOM 0 HA ASP A 71 0.860 -14.770 -24.079 1.00 51.33 H new ATOM 0 HB2 ASP A 71 3.319 -13.274 -24.754 1.00 31.34 H new ATOM 0 HB3 ASP A 71 3.339 -13.946 -23.136 1.00 31.34 H new ATOM 1115 N LYS A 72 1.481 -13.852 -21.582 1.00 15.34 N ATOM 1116 CA LYS A 72 1.234 -13.366 -20.229 1.00 75.40 C ATOM 1117 C LYS A 72 2.439 -13.622 -19.330 1.00 62.44 C ATOM 1118 O LYS A 72 3.341 -14.381 -19.688 1.00 2.33 O ATOM 1119 CB LYS A 72 -0.007 -14.043 -19.641 1.00 1.30 C ATOM 1120 CG LYS A 72 -1.269 -13.205 -19.756 1.00 63.12 C ATOM 1121 CD LYS A 72 -2.411 -13.998 -20.369 1.00 65.23 C ATOM 1122 CE LYS A 72 -2.679 -13.570 -21.804 1.00 34.02 C ATOM 1123 NZ LYS A 72 -3.778 -14.362 -22.422 1.00 73.14 N ATOM 0 H LYS A 72 2.006 -14.725 -21.627 1.00 15.34 H new ATOM 0 HA LYS A 72 1.064 -12.291 -20.281 1.00 75.40 H new ATOM 0 HB2 LYS A 72 -0.166 -14.995 -20.148 1.00 1.30 H new ATOM 0 HB3 LYS A 72 0.175 -14.268 -18.590 1.00 1.30 H new ATOM 0 HG2 LYS A 72 -1.561 -12.849 -18.768 1.00 63.12 H new ATOM 0 HG3 LYS A 72 -1.068 -12.324 -20.366 1.00 63.12 H new ATOM 0 HD2 LYS A 72 -2.172 -15.061 -20.344 1.00 65.23 H new ATOM 0 HD3 LYS A 72 -3.313 -13.860 -19.772 1.00 65.23 H new ATOM 0 HE2 LYS A 72 -2.938 -12.511 -21.825 1.00 34.02 H new ATOM 0 HE3 LYS A 72 -1.770 -13.688 -22.394 1.00 34.02 H new ATOM 0 HZ1 LYS A 72 -3.930 -14.041 -23.399 1.00 73.14 H new ATOM 0 HZ2 LYS A 72 -3.520 -15.370 -22.425 1.00 73.14 H new ATOM 0 HZ3 LYS A 72 -4.652 -14.230 -21.874 1.00 73.14 H new ATOM 1137 N ILE A 73 2.447 -12.987 -18.164 1.00 3.24 N ATOM 1138 CA ILE A 73 3.541 -13.149 -17.214 1.00 0.42 C ATOM 1139 C ILE A 73 3.026 -13.154 -15.778 1.00 63.14 C ATOM 1140 O ILE A 73 2.068 -12.455 -15.449 1.00 35.31 O ATOM 1141 CB ILE A 73 4.590 -12.031 -17.367 1.00 15.01 C ATOM 1142 CG1 ILE A 73 5.236 -12.095 -18.752 1.00 45.10 C ATOM 1143 CG2 ILE A 73 5.646 -12.143 -16.277 1.00 55.54 C ATOM 1144 CD1 ILE A 73 6.021 -10.852 -19.111 1.00 31.35 C ATOM 0 H ILE A 73 1.709 -12.355 -17.854 1.00 3.24 H new ATOM 0 HA ILE A 73 4.010 -14.108 -17.433 1.00 0.42 H new ATOM 0 HB ILE A 73 4.091 -11.067 -17.264 1.00 15.01 H new ATOM 0 HG12 ILE A 73 5.899 -12.959 -18.795 1.00 45.10 H new ATOM 0 HG13 ILE A 73 4.459 -12.253 -19.500 1.00 45.10 H new ATOM 0 HG21 ILE A 73 6.380 -11.346 -16.398 1.00 55.54 H new ATOM 0 HG22 ILE A 73 5.171 -12.053 -15.300 1.00 55.54 H new ATOM 0 HG23 ILE A 73 6.144 -13.110 -16.351 1.00 55.54 H new ATOM 0 HD11 ILE A 73 6.451 -10.968 -20.106 1.00 31.35 H new ATOM 0 HD12 ILE A 73 5.358 -9.987 -19.101 1.00 31.35 H new ATOM 0 HD13 ILE A 73 6.821 -10.704 -18.385 1.00 31.35 H new ATOM 1156 N TYR A 74 3.670 -13.946 -14.928 1.00 4.50 N ATOM 1157 CA TYR A 74 3.278 -14.043 -13.527 1.00 54.32 C ATOM 1158 C TYR A 74 4.491 -14.298 -12.638 1.00 34.52 C ATOM 1159 O TYR A 74 5.003 -15.416 -12.572 1.00 75.33 O ATOM 1160 CB TYR A 74 2.250 -15.160 -13.340 1.00 54.23 C ATOM 1161 CG TYR A 74 1.355 -15.366 -14.542 1.00 31.55 C ATOM 1162 CD1 TYR A 74 0.206 -14.605 -14.716 1.00 42.23 C ATOM 1163 CD2 TYR A 74 1.659 -16.323 -15.502 1.00 60.14 C ATOM 1164 CE1 TYR A 74 -0.614 -14.791 -15.812 1.00 15.12 C ATOM 1165 CE2 TYR A 74 0.845 -16.515 -16.602 1.00 30.01 C ATOM 1166 CZ TYR A 74 -0.291 -15.747 -16.752 1.00 2.11 C ATOM 1167 OH TYR A 74 -1.105 -15.934 -17.845 1.00 61.43 O ATOM 0 H TYR A 74 4.466 -14.530 -15.185 1.00 4.50 H new ATOM 0 HA TYR A 74 2.830 -13.093 -13.235 1.00 54.32 H new ATOM 0 HB2 TYR A 74 2.773 -16.091 -13.123 1.00 54.23 H new ATOM 0 HB3 TYR A 74 1.632 -14.932 -12.472 1.00 54.23 H new ATOM 0 HD1 TYR A 74 -0.051 -13.855 -13.982 1.00 42.23 H new ATOM 0 HD2 TYR A 74 2.547 -16.927 -15.387 1.00 60.14 H new ATOM 0 HE1 TYR A 74 -1.504 -14.191 -15.932 1.00 15.12 H new ATOM 0 HE2 TYR A 74 1.097 -17.262 -17.340 1.00 30.01 H new ATOM 0 HH TYR A 74 -0.735 -16.644 -18.411 1.00 61.43 H new ATOM 1177 N PHE A 75 4.945 -13.254 -11.954 1.00 1.23 N ATOM 1178 CA PHE A 75 6.098 -13.363 -11.068 1.00 21.34 C ATOM 1179 C PHE A 75 6.150 -12.189 -10.094 1.00 74.15 C ATOM 1180 O PHE A 75 5.153 -11.496 -9.889 1.00 4.32 O ATOM 1181 CB PHE A 75 7.391 -13.421 -11.883 1.00 63.33 C ATOM 1182 CG PHE A 75 7.809 -12.090 -12.440 1.00 70.32 C ATOM 1183 CD1 PHE A 75 6.951 -11.363 -13.250 1.00 23.31 C ATOM 1184 CD2 PHE A 75 9.059 -11.566 -12.154 1.00 10.15 C ATOM 1185 CE1 PHE A 75 7.334 -10.139 -13.764 1.00 54.22 C ATOM 1186 CE2 PHE A 75 9.447 -10.342 -12.665 1.00 13.44 C ATOM 1187 CZ PHE A 75 8.582 -9.627 -13.470 1.00 42.32 C ATOM 0 H PHE A 75 4.532 -12.322 -11.996 1.00 1.23 H new ATOM 0 HA PHE A 75 5.997 -14.284 -10.494 1.00 21.34 H new ATOM 0 HB2 PHE A 75 8.191 -13.810 -11.253 1.00 63.33 H new ATOM 0 HB3 PHE A 75 7.262 -14.125 -12.705 1.00 63.33 H new ATOM 0 HD1 PHE A 75 5.973 -11.757 -13.482 1.00 23.31 H new ATOM 0 HD2 PHE A 75 9.739 -12.121 -11.524 1.00 10.15 H new ATOM 0 HE1 PHE A 75 6.657 -9.583 -14.396 1.00 54.22 H new ATOM 0 HE2 PHE A 75 10.425 -9.945 -12.435 1.00 13.44 H new ATOM 0 HZ PHE A 75 8.881 -8.669 -13.869 1.00 42.32 H new ATOM 1197 N TRP A 76 7.317 -11.973 -9.499 1.00 33.42 N ATOM 1198 CA TRP A 76 7.499 -10.884 -8.546 1.00 53.35 C ATOM 1199 C TRP A 76 8.940 -10.386 -8.558 1.00 12.13 C ATOM 1200 O TRP A 76 9.869 -11.149 -8.824 1.00 42.43 O ATOM 1201 CB TRP A 76 7.115 -11.340 -7.138 1.00 72.41 C ATOM 1202 CG TRP A 76 6.983 -12.828 -7.011 1.00 44.02 C ATOM 1203 CD1 TRP A 76 7.982 -13.752 -7.128 1.00 3.12 C ATOM 1204 CD2 TRP A 76 5.784 -13.563 -6.745 1.00 53.33 C ATOM 1205 NE1 TRP A 76 7.476 -15.017 -6.950 1.00 52.24 N ATOM 1206 CE2 TRP A 76 6.130 -14.928 -6.713 1.00 54.15 C ATOM 1207 CE3 TRP A 76 4.452 -13.200 -6.529 1.00 35.41 C ATOM 1208 CZ2 TRP A 76 5.191 -15.928 -6.475 1.00 73.04 C ATOM 1209 CZ3 TRP A 76 3.521 -14.194 -6.293 1.00 72.30 C ATOM 1210 CH2 TRP A 76 3.894 -15.545 -6.267 1.00 13.31 C ATOM 0 H TRP A 76 8.152 -12.537 -9.659 1.00 33.42 H new ATOM 0 HA TRP A 76 6.848 -10.062 -8.843 1.00 53.35 H new ATOM 0 HB2 TRP A 76 7.867 -10.988 -6.432 1.00 72.41 H new ATOM 0 HB3 TRP A 76 6.171 -10.873 -6.858 1.00 72.41 H new ATOM 0 HD1 TRP A 76 9.018 -13.522 -7.331 1.00 3.12 H new ATOM 0 HE1 TRP A 76 8.015 -15.882 -6.988 1.00 52.24 H new ATOM 0 HE3 TRP A 76 4.155 -12.162 -6.546 1.00 35.41 H new ATOM 0 HZ2 TRP A 76 5.476 -16.969 -6.455 1.00 73.04 H new ATOM 0 HZ3 TRP A 76 2.488 -13.925 -6.126 1.00 72.30 H new ATOM 0 HH2 TRP A 76 3.143 -16.298 -6.079 1.00 13.31 H new ATOM 1221 N THR A 77 9.120 -9.101 -8.266 1.00 62.32 N ATOM 1222 CA THR A 77 10.448 -8.502 -8.244 1.00 4.12 C ATOM 1223 C THR A 77 10.775 -7.941 -6.865 1.00 2.24 C ATOM 1224 O THR A 77 9.895 -7.448 -6.159 1.00 53.55 O ATOM 1225 CB THR A 77 10.574 -7.375 -9.287 1.00 31.32 C ATOM 1226 OG1 THR A 77 9.395 -6.562 -9.274 1.00 62.30 O ATOM 1227 CG2 THR A 77 10.786 -7.949 -10.680 1.00 13.32 C ATOM 0 H THR A 77 8.362 -8.456 -8.042 1.00 62.32 H new ATOM 0 HA THR A 77 11.156 -9.294 -8.489 1.00 4.12 H new ATOM 0 HB THR A 77 11.439 -6.764 -9.028 1.00 31.32 H new ATOM 0 HG1 THR A 77 9.483 -5.847 -9.938 1.00 62.30 H new ATOM 0 HG21 THR A 77 10.872 -7.135 -11.400 1.00 13.32 H new ATOM 0 HG22 THR A 77 11.700 -8.543 -10.693 1.00 13.32 H new ATOM 0 HG23 THR A 77 9.938 -8.580 -10.946 1.00 13.32 H new ATOM 1235 N PHE A 78 12.046 -8.019 -6.485 1.00 44.34 N ATOM 1236 CA PHE A 78 12.490 -7.518 -5.189 1.00 75.42 C ATOM 1237 C PHE A 78 13.219 -6.187 -5.341 1.00 14.53 C ATOM 1238 O PHE A 78 13.839 -5.919 -6.370 1.00 10.12 O ATOM 1239 CB PHE A 78 13.405 -8.539 -4.510 1.00 71.55 C ATOM 1240 CG PHE A 78 13.012 -8.849 -3.094 1.00 53.42 C ATOM 1241 CD1 PHE A 78 11.924 -9.663 -2.825 1.00 73.45 C ATOM 1242 CD2 PHE A 78 13.730 -8.325 -2.032 1.00 25.13 C ATOM 1243 CE1 PHE A 78 11.559 -9.949 -1.523 1.00 44.31 C ATOM 1244 CE2 PHE A 78 13.371 -8.607 -0.727 1.00 62.31 C ATOM 1245 CZ PHE A 78 12.285 -9.421 -0.473 1.00 33.13 C ATOM 0 H PHE A 78 12.787 -8.425 -7.056 1.00 44.34 H new ATOM 0 HA PHE A 78 11.609 -7.360 -4.567 1.00 75.42 H new ATOM 0 HB2 PHE A 78 13.400 -9.462 -5.090 1.00 71.55 H new ATOM 0 HB3 PHE A 78 14.428 -8.162 -4.520 1.00 71.55 H new ATOM 0 HD1 PHE A 78 11.354 -10.079 -3.643 1.00 73.45 H new ATOM 0 HD2 PHE A 78 14.581 -7.688 -2.226 1.00 25.13 H new ATOM 0 HE1 PHE A 78 10.708 -10.584 -1.327 1.00 44.31 H new ATOM 0 HE2 PHE A 78 13.939 -8.191 0.092 1.00 62.31 H new ATOM 0 HZ PHE A 78 12.003 -9.645 0.545 1.00 33.13 H new ATOM 1255 N VAL A 79 13.138 -5.354 -4.307 1.00 65.04 N ATOM 1256 CA VAL A 79 13.790 -4.050 -4.324 1.00 44.00 C ATOM 1257 C VAL A 79 14.342 -3.694 -2.948 1.00 42.12 C ATOM 1258 O VAL A 79 14.013 -4.337 -1.951 1.00 14.41 O ATOM 1259 CB VAL A 79 12.820 -2.943 -4.778 1.00 63.22 C ATOM 1260 CG1 VAL A 79 12.987 -2.663 -6.264 1.00 21.31 C ATOM 1261 CG2 VAL A 79 11.384 -3.330 -4.458 1.00 2.30 C ATOM 0 H VAL A 79 12.628 -5.559 -3.448 1.00 65.04 H new ATOM 0 HA VAL A 79 14.612 -4.117 -5.036 1.00 44.00 H new ATOM 0 HB VAL A 79 13.057 -2.030 -4.232 1.00 63.22 H new ATOM 0 HG11 VAL A 79 12.294 -1.878 -6.567 1.00 21.31 H new ATOM 0 HG12 VAL A 79 14.009 -2.340 -6.461 1.00 21.31 H new ATOM 0 HG13 VAL A 79 12.778 -3.570 -6.831 1.00 21.31 H new ATOM 0 HG21 VAL A 79 10.712 -2.537 -4.785 1.00 2.30 H new ATOM 0 HG22 VAL A 79 11.133 -4.256 -4.976 1.00 2.30 H new ATOM 0 HG23 VAL A 79 11.277 -3.475 -3.383 1.00 2.30 H new ATOM 1271 N ILE A 80 15.183 -2.666 -2.902 1.00 12.01 N ATOM 1272 CA ILE A 80 15.779 -2.223 -1.648 1.00 21.33 C ATOM 1273 C ILE A 80 15.963 -0.710 -1.631 1.00 3.44 C ATOM 1274 O ILE A 80 16.954 -0.187 -2.143 1.00 33.42 O ATOM 1275 CB ILE A 80 17.142 -2.898 -1.403 1.00 50.34 C ATOM 1276 CG1 ILE A 80 16.958 -4.398 -1.165 1.00 12.24 C ATOM 1277 CG2 ILE A 80 17.849 -2.251 -0.222 1.00 11.33 C ATOM 1278 CD1 ILE A 80 18.262 -5.155 -1.046 1.00 34.34 C ATOM 0 H ILE A 80 15.467 -2.125 -3.719 1.00 12.01 H new ATOM 0 HA ILE A 80 15.092 -2.512 -0.853 1.00 21.33 H new ATOM 0 HB ILE A 80 17.762 -2.764 -2.290 1.00 50.34 H new ATOM 0 HG12 ILE A 80 16.378 -4.545 -0.254 1.00 12.24 H new ATOM 0 HG13 ILE A 80 16.376 -4.819 -1.985 1.00 12.24 H new ATOM 0 HG21 ILE A 80 18.810 -2.739 -0.062 1.00 11.33 H new ATOM 0 HG22 ILE A 80 18.009 -1.193 -0.429 1.00 11.33 H new ATOM 0 HG23 ILE A 80 17.235 -2.357 0.672 1.00 11.33 H new ATOM 0 HD11 ILE A 80 18.055 -6.212 -0.878 1.00 34.34 H new ATOM 0 HD12 ILE A 80 18.835 -5.039 -1.966 1.00 34.34 H new ATOM 0 HD13 ILE A 80 18.837 -4.760 -0.208 1.00 34.34 H new ATOM 1290 N LYS A 81 15.003 -0.009 -1.036 1.00 62.15 N ATOM 1291 CA LYS A 81 15.059 1.445 -0.949 1.00 3.24 C ATOM 1292 C LYS A 81 15.181 1.898 0.503 1.00 45.32 C ATOM 1293 O LYS A 81 14.508 1.369 1.387 1.00 20.20 O ATOM 1294 CB LYS A 81 13.812 2.064 -1.584 1.00 33.43 C ATOM 1295 CG LYS A 81 13.769 3.579 -1.491 1.00 5.01 C ATOM 1296 CD LYS A 81 12.341 4.096 -1.458 1.00 1.12 C ATOM 1297 CE LYS A 81 12.077 4.925 -0.210 1.00 60.11 C ATOM 1298 NZ LYS A 81 10.651 4.851 0.214 1.00 63.15 N ATOM 0 H LYS A 81 14.177 -0.425 -0.607 1.00 62.15 H new ATOM 0 HA LYS A 81 15.941 1.783 -1.493 1.00 3.24 H new ATOM 0 HB2 LYS A 81 13.766 1.772 -2.633 1.00 33.43 H new ATOM 0 HB3 LYS A 81 12.926 1.654 -1.099 1.00 33.43 H new ATOM 0 HG2 LYS A 81 14.295 3.904 -0.594 1.00 5.01 H new ATOM 0 HG3 LYS A 81 14.294 4.012 -2.343 1.00 5.01 H new ATOM 0 HD2 LYS A 81 12.151 4.701 -2.345 1.00 1.12 H new ATOM 0 HD3 LYS A 81 11.648 3.256 -1.491 1.00 1.12 H new ATOM 0 HE2 LYS A 81 12.716 4.574 0.601 1.00 60.11 H new ATOM 0 HE3 LYS A 81 12.346 5.964 -0.401 1.00 60.11 H new ATOM 0 HZ1 LYS A 81 10.512 5.429 1.067 1.00 63.15 H new ATOM 0 HZ2 LYS A 81 10.043 5.209 -0.550 1.00 63.15 H new ATOM 0 HZ3 LYS A 81 10.401 3.863 0.421 1.00 63.15 H new ATOM 1312 N ASP A 82 16.043 2.881 0.740 1.00 1.04 N ATOM 1313 CA ASP A 82 16.251 3.407 2.084 1.00 3.14 C ATOM 1314 C ASP A 82 16.329 2.276 3.105 1.00 65.33 C ATOM 1315 O ASP A 82 15.779 2.375 4.201 1.00 44.34 O ATOM 1316 CB ASP A 82 15.124 4.371 2.458 1.00 31.33 C ATOM 1317 CG ASP A 82 15.616 5.792 2.649 1.00 63.14 C ATOM 1318 OD1 ASP A 82 16.428 6.255 1.820 1.00 51.03 O ATOM 1319 OD2 ASP A 82 15.189 6.441 3.626 1.00 45.31 O ATOM 0 H ASP A 82 16.609 3.329 0.019 1.00 1.04 H new ATOM 0 HA ASP A 82 17.198 3.946 2.093 1.00 3.14 H new ATOM 0 HB2 ASP A 82 14.363 4.355 1.678 1.00 31.33 H new ATOM 0 HB3 ASP A 82 14.647 4.028 3.376 1.00 31.33 H new ATOM 1324 N GLY A 83 17.017 1.199 2.736 1.00 74.14 N ATOM 1325 CA GLY A 83 17.153 0.064 3.629 1.00 20.42 C ATOM 1326 C GLY A 83 15.820 -0.408 4.176 1.00 50.43 C ATOM 1327 O GLY A 83 15.723 -0.808 5.337 1.00 53.54 O ATOM 0 H GLY A 83 17.482 1.093 1.834 1.00 74.14 H new ATOM 0 HA2 GLY A 83 17.635 -0.757 3.097 1.00 20.42 H new ATOM 0 HA3 GLY A 83 17.807 0.334 4.458 1.00 20.42 H new ATOM 1331 N LEU A 84 14.789 -0.360 3.339 1.00 3.50 N ATOM 1332 CA LEU A 84 13.454 -0.783 3.745 1.00 32.51 C ATOM 1333 C LEU A 84 13.171 -2.210 3.284 1.00 43.44 C ATOM 1334 O LEU A 84 12.842 -3.080 4.088 1.00 14.44 O ATOM 1335 CB LEU A 84 12.400 0.167 3.175 1.00 50.41 C ATOM 1336 CG LEU A 84 12.216 1.490 3.920 1.00 34.22 C ATOM 1337 CD1 LEU A 84 11.956 2.623 2.940 1.00 2.31 C ATOM 1338 CD2 LEU A 84 11.079 1.381 4.926 1.00 53.21 C ATOM 0 H LEU A 84 14.852 -0.032 2.375 1.00 3.50 H new ATOM 0 HA LEU A 84 13.407 -0.756 4.834 1.00 32.51 H new ATOM 0 HB2 LEU A 84 12.661 0.389 2.140 1.00 50.41 H new ATOM 0 HB3 LEU A 84 11.442 -0.353 3.157 1.00 50.41 H new ATOM 0 HG LEU A 84 13.135 1.711 4.462 1.00 34.22 H new ATOM 0 HD11 LEU A 84 11.828 3.556 3.488 1.00 2.31 H new ATOM 0 HD12 LEU A 84 12.802 2.716 2.259 1.00 2.31 H new ATOM 0 HD13 LEU A 84 11.052 2.410 2.369 1.00 2.31 H new ATOM 0 HD21 LEU A 84 10.962 2.331 5.447 1.00 53.21 H new ATOM 0 HD22 LEU A 84 10.154 1.137 4.404 1.00 53.21 H new ATOM 0 HD23 LEU A 84 11.306 0.597 5.648 1.00 53.21 H new ATOM 1350 N GLY A 85 13.305 -2.442 1.981 1.00 22.33 N ATOM 1351 CA GLY A 85 13.063 -3.765 1.435 1.00 13.13 C ATOM 1352 C GLY A 85 11.635 -3.942 0.958 1.00 60.31 C ATOM 1353 O GLY A 85 10.717 -4.088 1.765 1.00 13.51 O ATOM 0 H GLY A 85 13.577 -1.738 1.295 1.00 22.33 H new ATOM 0 HA2 GLY A 85 13.745 -3.942 0.604 1.00 13.13 H new ATOM 0 HA3 GLY A 85 13.285 -4.515 2.195 1.00 13.13 H new ATOM 1357 N TYR A 86 11.447 -3.929 -0.357 1.00 12.01 N ATOM 1358 CA TYR A 86 10.120 -4.086 -0.941 1.00 12.54 C ATOM 1359 C TYR A 86 10.127 -5.153 -2.030 1.00 75.15 C ATOM 1360 O TYR A 86 11.174 -5.706 -2.367 1.00 32.12 O ATOM 1361 CB TYR A 86 9.633 -2.755 -1.518 1.00 23.05 C ATOM 1362 CG TYR A 86 9.457 -1.672 -0.477 1.00 63.11 C ATOM 1363 CD1 TYR A 86 8.283 -1.573 0.259 1.00 5.24 C ATOM 1364 CD2 TYR A 86 10.466 -0.749 -0.230 1.00 12.40 C ATOM 1365 CE1 TYR A 86 8.118 -0.585 1.210 1.00 3.53 C ATOM 1366 CE2 TYR A 86 10.310 0.242 0.720 1.00 11.21 C ATOM 1367 CZ TYR A 86 9.134 0.320 1.437 1.00 3.42 C ATOM 1368 OH TYR A 86 8.974 1.305 2.385 1.00 41.44 O ATOM 0 H TYR A 86 12.197 -3.811 -1.039 1.00 12.01 H new ATOM 0 HA TYR A 86 9.439 -4.403 -0.152 1.00 12.54 H new ATOM 0 HB2 TYR A 86 10.344 -2.413 -2.270 1.00 23.05 H new ATOM 0 HB3 TYR A 86 8.683 -2.915 -2.028 1.00 23.05 H new ATOM 0 HD1 TYR A 86 7.486 -2.280 0.085 1.00 5.24 H new ATOM 0 HD2 TYR A 86 11.388 -0.807 -0.790 1.00 12.40 H new ATOM 0 HE1 TYR A 86 7.198 -0.521 1.773 1.00 3.53 H new ATOM 0 HE2 TYR A 86 11.104 0.951 0.900 1.00 11.21 H new ATOM 0 HH TYR A 86 8.380 0.982 3.095 1.00 41.44 H new ATOM 1378 N ARG A 87 8.950 -5.437 -2.579 1.00 34.03 N ATOM 1379 CA ARG A 87 8.818 -6.438 -3.630 1.00 62.32 C ATOM 1380 C ARG A 87 7.380 -6.510 -4.136 1.00 23.32 C ATOM 1381 O ARG A 87 6.435 -6.500 -3.348 1.00 52.32 O ATOM 1382 CB ARG A 87 9.258 -7.810 -3.115 1.00 64.05 C ATOM 1383 CG ARG A 87 8.966 -8.946 -4.082 1.00 51.22 C ATOM 1384 CD ARG A 87 8.633 -10.233 -3.345 1.00 31.33 C ATOM 1385 NE ARG A 87 9.359 -11.378 -3.887 1.00 24.32 N ATOM 1386 CZ ARG A 87 9.622 -12.479 -3.191 1.00 14.12 C ATOM 1387 NH1 ARG A 87 9.218 -12.583 -1.932 1.00 43.00 N ATOM 1388 NH2 ARG A 87 10.288 -13.479 -3.754 1.00 1.41 N ATOM 0 H ARG A 87 8.074 -4.987 -2.313 1.00 34.03 H new ATOM 0 HA ARG A 87 9.462 -6.145 -4.459 1.00 62.32 H new ATOM 0 HB2 ARG A 87 10.328 -7.785 -2.909 1.00 64.05 H new ATOM 0 HB3 ARG A 87 8.756 -8.012 -2.169 1.00 64.05 H new ATOM 0 HG2 ARG A 87 8.133 -8.670 -4.729 1.00 51.22 H new ATOM 0 HG3 ARG A 87 9.830 -9.108 -4.727 1.00 51.22 H new ATOM 0 HD2 ARG A 87 8.874 -10.118 -2.288 1.00 31.33 H new ATOM 0 HD3 ARG A 87 7.561 -10.420 -3.409 1.00 31.33 H new ATOM 0 HE ARG A 87 9.682 -11.330 -4.853 1.00 24.32 H new ATOM 0 HH11 ARG A 87 8.704 -11.817 -1.496 1.00 43.00 H new ATOM 0 HH12 ARG A 87 9.421 -13.429 -1.400 1.00 43.00 H new ATOM 0 HH21 ARG A 87 10.599 -13.403 -4.722 1.00 1.41 H new ATOM 0 HH22 ARG A 87 10.489 -14.323 -3.218 1.00 1.41 H new ATOM 1402 N GLN A 88 7.225 -6.583 -5.454 1.00 11.32 N ATOM 1403 CA GLN A 88 5.902 -6.655 -6.064 1.00 4.13 C ATOM 1404 C GLN A 88 5.280 -8.031 -5.852 1.00 60.24 C ATOM 1405 O GLN A 88 5.973 -8.991 -5.514 1.00 35.11 O ATOM 1406 CB GLN A 88 5.990 -6.346 -7.559 1.00 52.32 C ATOM 1407 CG GLN A 88 4.783 -5.593 -8.096 1.00 44.42 C ATOM 1408 CD GLN A 88 4.974 -4.089 -8.067 1.00 51.15 C ATOM 1409 OE1 GLN A 88 5.559 -3.543 -7.131 1.00 71.52 O ATOM 1410 NE2 GLN A 88 4.480 -3.410 -9.096 1.00 10.51 N ATOM 0 H GLN A 88 7.998 -6.594 -6.119 1.00 11.32 H new ATOM 0 HA GLN A 88 5.266 -5.911 -5.584 1.00 4.13 H new ATOM 0 HB2 GLN A 88 6.888 -5.758 -7.748 1.00 52.32 H new ATOM 0 HB3 GLN A 88 6.099 -7.281 -8.109 1.00 52.32 H new ATOM 0 HG2 GLN A 88 4.587 -5.911 -9.120 1.00 44.42 H new ATOM 0 HG3 GLN A 88 3.904 -5.855 -7.507 1.00 44.42 H new ATOM 0 HE21 GLN A 88 4.002 -3.903 -9.850 1.00 10.51 H new ATOM 0 HE22 GLN A 88 4.578 -2.395 -9.132 1.00 10.51 H new ATOM 1419 N ASP A 89 3.970 -8.120 -6.054 1.00 10.40 N ATOM 1420 CA ASP A 89 3.254 -9.379 -5.886 1.00 51.12 C ATOM 1421 C ASP A 89 2.107 -9.489 -6.886 1.00 13.02 C ATOM 1422 O ASP A 89 1.995 -8.683 -7.809 1.00 23.14 O ATOM 1423 CB ASP A 89 2.717 -9.498 -4.459 1.00 74.52 C ATOM 1424 CG ASP A 89 3.502 -10.492 -3.626 1.00 61.23 C ATOM 1425 OD1 ASP A 89 4.661 -10.187 -3.275 1.00 53.52 O ATOM 1426 OD2 ASP A 89 2.959 -11.576 -3.326 1.00 74.01 O ATOM 0 H ASP A 89 3.382 -7.335 -6.334 1.00 10.40 H new ATOM 0 HA ASP A 89 3.953 -10.194 -6.072 1.00 51.12 H new ATOM 0 HB2 ASP A 89 2.750 -8.520 -3.979 1.00 74.52 H new ATOM 0 HB3 ASP A 89 1.671 -9.802 -4.492 1.00 74.52 H new ATOM 1431 N ASN A 90 1.257 -10.493 -6.695 1.00 70.04 N ATOM 1432 CA ASN A 90 0.119 -10.710 -7.581 1.00 40.34 C ATOM 1433 C ASN A 90 0.537 -11.494 -8.821 1.00 72.35 C ATOM 1434 O ASN A 90 -0.235 -12.290 -9.354 1.00 70.35 O ATOM 1435 CB ASN A 90 -0.495 -9.370 -7.994 1.00 63.44 C ATOM 1436 CG ASN A 90 -2.003 -9.443 -8.130 1.00 73.15 C ATOM 1437 OD1 ASN A 90 -2.528 -9.719 -9.209 1.00 62.45 O ATOM 1438 ND2 ASN A 90 -2.709 -9.195 -7.033 1.00 42.53 N ATOM 0 H ASN A 90 1.335 -11.169 -5.935 1.00 70.04 H new ATOM 0 HA ASN A 90 -0.626 -11.292 -7.039 1.00 40.34 H new ATOM 0 HB2 ASN A 90 -0.236 -8.612 -7.255 1.00 63.44 H new ATOM 0 HB3 ASN A 90 -0.062 -9.052 -8.943 1.00 63.44 H new ATOM 0 HD21 ASN A 90 -3.728 -9.229 -7.064 1.00 42.53 H new ATOM 0 HD22 ASN A 90 -2.232 -8.970 -6.160 1.00 42.53 H new ATOM 1445 N GLY A 91 1.765 -11.264 -9.275 1.00 42.42 N ATOM 1446 CA GLY A 91 2.265 -11.956 -10.448 1.00 72.35 C ATOM 1447 C GLY A 91 1.234 -12.036 -11.557 1.00 64.33 C ATOM 1448 O GLY A 91 0.523 -13.032 -11.680 1.00 73.54 O ATOM 0 H GLY A 91 2.423 -10.610 -8.851 1.00 42.42 H new ATOM 0 HA2 GLY A 91 3.153 -11.443 -10.818 1.00 72.35 H new ATOM 0 HA3 GLY A 91 2.572 -12.964 -10.168 1.00 72.35 H new ATOM 1452 N GLU A 92 1.153 -10.983 -12.365 1.00 23.51 N ATOM 1453 CA GLU A 92 0.200 -10.939 -13.467 1.00 52.12 C ATOM 1454 C GLU A 92 0.474 -9.744 -14.376 1.00 11.33 C ATOM 1455 O GLU A 92 0.365 -8.592 -13.954 1.00 22.42 O ATOM 1456 CB GLU A 92 -1.231 -10.868 -12.930 1.00 53.34 C ATOM 1457 CG GLU A 92 -2.293 -10.972 -14.012 1.00 51.33 C ATOM 1458 CD GLU A 92 -3.694 -11.097 -13.445 1.00 2.11 C ATOM 1459 OE1 GLU A 92 -3.954 -12.080 -12.720 1.00 3.14 O ATOM 1460 OE2 GLU A 92 -4.530 -10.213 -13.726 1.00 44.11 O ATOM 0 H GLU A 92 1.735 -10.150 -12.277 1.00 23.51 H new ATOM 0 HA GLU A 92 0.316 -11.852 -14.051 1.00 52.12 H new ATOM 0 HB2 GLU A 92 -1.380 -11.671 -12.208 1.00 53.34 H new ATOM 0 HB3 GLU A 92 -1.362 -9.929 -12.393 1.00 53.34 H new ATOM 0 HG2 GLU A 92 -2.242 -10.091 -14.652 1.00 51.33 H new ATOM 0 HG3 GLU A 92 -2.081 -11.836 -14.641 1.00 51.33 H new ATOM 1467 N TRP A 93 0.830 -10.026 -15.623 1.00 60.44 N ATOM 1468 CA TRP A 93 1.121 -8.975 -16.592 1.00 34.21 C ATOM 1469 C TRP A 93 0.967 -9.491 -18.018 1.00 75.42 C ATOM 1470 O TRP A 93 1.772 -10.295 -18.489 1.00 71.23 O ATOM 1471 CB TRP A 93 2.537 -8.437 -16.381 1.00 54.44 C ATOM 1472 CG TRP A 93 2.692 -7.656 -15.112 1.00 4.43 C ATOM 1473 CD1 TRP A 93 2.358 -6.347 -14.908 1.00 64.21 C ATOM 1474 CD2 TRP A 93 3.224 -8.134 -13.871 1.00 54.11 C ATOM 1475 NE1 TRP A 93 2.650 -5.983 -13.616 1.00 31.24 N ATOM 1476 CE2 TRP A 93 3.181 -7.062 -12.959 1.00 12.44 C ATOM 1477 CE3 TRP A 93 3.729 -9.364 -13.442 1.00 0.24 C ATOM 1478 CZ2 TRP A 93 3.626 -7.184 -11.645 1.00 34.20 C ATOM 1479 CZ3 TRP A 93 4.170 -9.484 -12.138 1.00 4.24 C ATOM 1480 CH2 TRP A 93 4.116 -8.400 -11.251 1.00 53.25 C ATOM 0 H TRP A 93 0.924 -10.974 -15.988 1.00 60.44 H new ATOM 0 HA TRP A 93 0.406 -8.166 -16.440 1.00 34.21 H new ATOM 0 HB2 TRP A 93 3.238 -9.272 -16.373 1.00 54.44 H new ATOM 0 HB3 TRP A 93 2.806 -7.802 -17.225 1.00 54.44 H new ATOM 0 HD1 TRP A 93 1.928 -5.694 -15.653 1.00 64.21 H new ATOM 0 HE1 TRP A 93 2.496 -5.059 -13.211 1.00 31.24 H new ATOM 0 HE3 TRP A 93 3.774 -10.206 -14.117 1.00 0.24 H new ATOM 0 HZ2 TRP A 93 3.586 -6.349 -10.961 1.00 34.20 H new ATOM 0 HZ3 TRP A 93 4.563 -10.430 -11.796 1.00 4.24 H new ATOM 0 HH2 TRP A 93 4.468 -8.526 -10.238 1.00 53.25 H new ATOM 1491 N THR A 94 -0.073 -9.025 -18.703 1.00 51.30 N ATOM 1492 CA THR A 94 -0.333 -9.440 -20.076 1.00 21.24 C ATOM 1493 C THR A 94 0.525 -8.653 -21.060 1.00 33.21 C ATOM 1494 O THR A 94 0.705 -7.444 -20.913 1.00 24.31 O ATOM 1495 CB THR A 94 -1.817 -9.259 -20.446 1.00 40.11 C ATOM 1496 OG1 THR A 94 -2.645 -9.960 -19.511 1.00 5.30 O ATOM 1497 CG2 THR A 94 -2.090 -9.768 -21.853 1.00 65.34 C ATOM 0 H THR A 94 -0.749 -8.359 -18.329 1.00 51.30 H new ATOM 0 HA THR A 94 -0.077 -10.498 -20.141 1.00 21.24 H new ATOM 0 HB THR A 94 -2.050 -8.195 -20.410 1.00 40.11 H new ATOM 0 HG1 THR A 94 -3.587 -9.838 -19.753 1.00 5.30 H new ATOM 0 HG21 THR A 94 -3.144 -9.630 -22.092 1.00 65.34 H new ATOM 0 HG22 THR A 94 -1.481 -9.212 -22.566 1.00 65.34 H new ATOM 0 HG23 THR A 94 -1.841 -10.828 -21.911 1.00 65.34 H new ATOM 1505 N VAL A 95 1.051 -9.346 -22.065 1.00 20.12 N ATOM 1506 CA VAL A 95 1.889 -8.711 -23.075 1.00 73.12 C ATOM 1507 C VAL A 95 1.066 -7.794 -23.973 1.00 44.14 C ATOM 1508 O VAL A 95 0.252 -8.258 -24.770 1.00 54.43 O ATOM 1509 CB VAL A 95 2.606 -9.758 -23.948 1.00 41.12 C ATOM 1510 CG1 VAL A 95 3.611 -9.085 -24.871 1.00 73.43 C ATOM 1511 CG2 VAL A 95 3.287 -10.802 -23.076 1.00 52.00 C ATOM 0 H VAL A 95 0.912 -10.347 -22.201 1.00 20.12 H new ATOM 0 HA VAL A 95 2.635 -8.121 -22.543 1.00 73.12 H new ATOM 0 HB VAL A 95 1.862 -10.262 -24.565 1.00 41.12 H new ATOM 0 HG11 VAL A 95 4.108 -9.840 -25.480 1.00 73.43 H new ATOM 0 HG12 VAL A 95 3.093 -8.379 -25.520 1.00 73.43 H new ATOM 0 HG13 VAL A 95 4.353 -8.553 -24.275 1.00 73.43 H new ATOM 0 HG21 VAL A 95 3.789 -11.534 -23.709 1.00 52.00 H new ATOM 0 HG22 VAL A 95 4.020 -10.316 -22.432 1.00 52.00 H new ATOM 0 HG23 VAL A 95 2.541 -11.305 -22.461 1.00 52.00 H new ATOM 1521 N GLU A 96 1.287 -6.490 -23.839 1.00 13.23 N ATOM 1522 CA GLU A 96 0.565 -5.507 -24.639 1.00 20.23 C ATOM 1523 C GLU A 96 1.526 -4.492 -25.251 1.00 22.32 C ATOM 1524 O GLU A 96 1.105 -3.533 -25.896 1.00 63.22 O ATOM 1525 CB GLU A 96 -0.478 -4.786 -23.782 1.00 61.22 C ATOM 1526 CG GLU A 96 -1.477 -5.722 -23.123 1.00 61.42 C ATOM 1527 CD GLU A 96 -2.889 -5.170 -23.133 1.00 41.50 C ATOM 1528 OE1 GLU A 96 -3.080 -4.021 -22.683 1.00 10.25 O ATOM 1529 OE2 GLU A 96 -3.803 -5.886 -23.592 1.00 62.40 O ATOM 0 H GLU A 96 1.960 -6.090 -23.185 1.00 13.23 H new ATOM 0 HA GLU A 96 0.059 -6.035 -25.447 1.00 20.23 H new ATOM 0 HB2 GLU A 96 0.033 -4.212 -23.009 1.00 61.22 H new ATOM 0 HB3 GLU A 96 -1.018 -4.073 -24.405 1.00 61.22 H new ATOM 0 HG2 GLU A 96 -1.463 -6.683 -23.638 1.00 61.42 H new ATOM 0 HG3 GLU A 96 -1.171 -5.907 -22.093 1.00 61.42 H new ATOM 1536 N GLY A 97 2.821 -4.711 -25.042 1.00 60.42 N ATOM 1537 CA GLY A 97 3.822 -3.808 -25.579 1.00 21.14 C ATOM 1538 C GLY A 97 4.688 -4.464 -26.636 1.00 55.23 C ATOM 1539 O GLY A 97 4.463 -5.617 -27.005 1.00 50.23 O ATOM 0 H GLY A 97 3.194 -5.497 -24.511 1.00 60.42 H new ATOM 0 HA2 GLY A 97 3.328 -2.937 -26.008 1.00 21.14 H new ATOM 0 HA3 GLY A 97 4.455 -3.448 -24.768 1.00 21.14 H new ATOM 1543 N PHE A 98 5.679 -3.728 -27.127 1.00 41.31 N ATOM 1544 CA PHE A 98 6.580 -4.244 -28.151 1.00 51.22 C ATOM 1545 C PHE A 98 7.894 -3.468 -28.161 1.00 31.23 C ATOM 1546 O PHE A 98 7.949 -2.313 -27.739 1.00 41.10 O ATOM 1547 CB PHE A 98 5.918 -4.166 -29.529 1.00 5.52 C ATOM 1548 CG PHE A 98 6.014 -5.443 -30.313 1.00 42.11 C ATOM 1549 CD1 PHE A 98 5.676 -6.655 -29.733 1.00 4.23 C ATOM 1550 CD2 PHE A 98 6.443 -5.432 -31.631 1.00 14.32 C ATOM 1551 CE1 PHE A 98 5.763 -7.832 -30.452 1.00 31.02 C ATOM 1552 CE2 PHE A 98 6.531 -6.606 -32.355 1.00 13.41 C ATOM 1553 CZ PHE A 98 6.192 -7.807 -31.764 1.00 73.33 C ATOM 0 H PHE A 98 5.879 -2.772 -26.832 1.00 41.31 H new ATOM 0 HA PHE A 98 6.796 -5.287 -27.917 1.00 51.22 H new ATOM 0 HB2 PHE A 98 4.867 -3.904 -29.404 1.00 5.52 H new ATOM 0 HB3 PHE A 98 6.381 -3.362 -30.101 1.00 5.52 H new ATOM 0 HD1 PHE A 98 5.341 -6.680 -28.707 1.00 4.23 H new ATOM 0 HD2 PHE A 98 6.711 -4.496 -32.097 1.00 14.32 H new ATOM 0 HE1 PHE A 98 5.496 -8.770 -29.988 1.00 31.02 H new ATOM 0 HE2 PHE A 98 6.865 -6.584 -33.382 1.00 13.41 H new ATOM 0 HZ PHE A 98 6.262 -8.726 -32.327 1.00 73.33 H new ATOM 1563 N VAL A 99 8.951 -4.113 -28.645 1.00 1.45 N ATOM 1564 CA VAL A 99 10.265 -3.485 -28.710 1.00 43.50 C ATOM 1565 C VAL A 99 11.208 -4.275 -29.611 1.00 53.41 C ATOM 1566 O VAL A 99 10.858 -5.347 -30.104 1.00 21.33 O ATOM 1567 CB VAL A 99 10.897 -3.357 -27.311 1.00 32.30 C ATOM 1568 CG1 VAL A 99 10.724 -1.945 -26.774 1.00 2.25 C ATOM 1569 CG2 VAL A 99 10.291 -4.377 -26.358 1.00 53.25 C ATOM 0 H VAL A 99 8.923 -5.070 -28.998 1.00 1.45 H new ATOM 0 HA VAL A 99 10.118 -2.488 -29.127 1.00 43.50 H new ATOM 0 HB VAL A 99 11.965 -3.560 -27.393 1.00 32.30 H new ATOM 0 HG11 VAL A 99 11.177 -1.874 -25.785 1.00 2.25 H new ATOM 0 HG12 VAL A 99 11.209 -1.238 -27.447 1.00 2.25 H new ATOM 0 HG13 VAL A 99 9.662 -1.710 -26.705 1.00 2.25 H new ATOM 0 HG21 VAL A 99 10.749 -4.273 -25.374 1.00 53.25 H new ATOM 0 HG22 VAL A 99 9.217 -4.207 -26.278 1.00 53.25 H new ATOM 0 HG23 VAL A 99 10.472 -5.382 -26.738 1.00 53.25 H new ATOM 1579 N ASP A 100 12.404 -3.738 -29.822 1.00 2.50 N ATOM 1580 CA ASP A 100 13.399 -4.393 -30.663 1.00 21.01 C ATOM 1581 C ASP A 100 14.791 -4.278 -30.049 1.00 13.13 C ATOM 1582 O ASP A 100 15.241 -3.184 -29.709 1.00 75.12 O ATOM 1583 CB ASP A 100 13.395 -3.782 -32.065 1.00 71.32 C ATOM 1584 CG ASP A 100 11.994 -3.626 -32.624 1.00 64.25 C ATOM 1585 OD1 ASP A 100 11.297 -2.671 -32.222 1.00 23.23 O ATOM 1586 OD2 ASP A 100 11.596 -4.458 -33.466 1.00 32.54 O ATOM 0 H ASP A 100 12.708 -2.850 -29.422 1.00 2.50 H new ATOM 0 HA ASP A 100 13.139 -5.449 -30.734 1.00 21.01 H new ATOM 0 HB2 ASP A 100 13.882 -2.807 -32.035 1.00 71.32 H new ATOM 0 HB3 ASP A 100 13.982 -4.411 -32.734 1.00 71.32 H new ATOM 1591 N GLU A 101 15.466 -5.414 -29.908 1.00 60.34 N ATOM 1592 CA GLU A 101 16.806 -5.440 -29.333 1.00 14.00 C ATOM 1593 C GLU A 101 17.851 -5.040 -30.370 1.00 61.43 C ATOM 1594 O GLU A 101 18.809 -5.773 -30.616 1.00 0.15 O ATOM 1595 CB GLU A 101 17.122 -6.833 -28.784 1.00 4.41 C ATOM 1596 CG GLU A 101 18.119 -6.823 -27.637 1.00 42.42 C ATOM 1597 CD GLU A 101 18.082 -8.100 -26.821 1.00 4.01 C ATOM 1598 OE1 GLU A 101 18.058 -9.191 -27.427 1.00 34.41 O ATOM 1599 OE2 GLU A 101 18.079 -8.007 -25.575 1.00 73.44 O ATOM 0 H GLU A 101 15.107 -6.328 -30.184 1.00 60.34 H new ATOM 0 HA GLU A 101 16.837 -4.720 -28.516 1.00 14.00 H new ATOM 0 HB2 GLU A 101 16.197 -7.300 -28.446 1.00 4.41 H new ATOM 0 HB3 GLU A 101 17.515 -7.452 -29.591 1.00 4.41 H new ATOM 0 HG2 GLU A 101 19.124 -6.680 -28.035 1.00 42.42 H new ATOM 0 HG3 GLU A 101 17.910 -5.974 -26.986 1.00 42.42 H new ATOM 1606 N ALA A 102 17.659 -3.873 -30.976 1.00 73.54 N ATOM 1607 CA ALA A 102 18.585 -3.375 -31.986 1.00 34.21 C ATOM 1608 C ALA A 102 18.726 -1.859 -31.901 1.00 20.24 C ATOM 1609 O ALA A 102 18.190 -1.226 -30.990 1.00 74.51 O ATOM 1610 CB ALA A 102 18.122 -3.787 -33.376 1.00 12.33 C ATOM 0 H ALA A 102 16.871 -3.255 -30.785 1.00 73.54 H new ATOM 0 HA ALA A 102 19.563 -3.816 -31.796 1.00 34.21 H new ATOM 0 HB1 ALA A 102 18.823 -3.408 -34.120 1.00 12.33 H new ATOM 0 HB2 ALA A 102 18.079 -4.874 -33.438 1.00 12.33 H new ATOM 0 HB3 ALA A 102 17.132 -3.374 -33.567 1.00 12.33 H new