USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=13 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 Set 1.1: A 33 LYS NZ :NH3+ 153:sc= 0.0136 (180deg=0) USER MOD Set 1.2: A 45 HIS : no HD1:sc= 0.0151 X(o=0.029,f=-0.038) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-2.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -160:sc= -0.774 USER MOD Single : A 26 SER OG : rot -36:sc= 0.126 USER MOD Single : A 31 HIS : no HE2:sc= -9.01! C(o=-9!,f=-11!) USER MOD Single : A 35 ASN : amide:sc= -8.06! C(o=-8.1!,f=-3.1!) USER MOD Single : A 38 MET CE :methyl -125:sc= -4.31 (180deg=-5.3!) USER MOD Single : A 47 SER OG : rot 27:sc= 0.796 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.167) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=0.54) USER MOD Single : A 64 ASN : amide:sc= 0.235 X(o=0.23,f=-0.09) 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= -0.509 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 33:sc= -2.44! USER MOD Single : A 88 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.55) USER MOD Single : A 90 ASN : amide:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 3 6.553 -1.422 -3.853 1.00 62.11 N ATOM 38 CA ALA A 3 7.262 -1.099 -5.085 1.00 62.20 C ATOM 39 C ALA A 3 6.291 -0.687 -6.186 1.00 35.32 C ATOM 40 O ALA A 3 5.153 -1.154 -6.250 1.00 21.13 O ATOM 41 CB ALA A 3 8.103 -2.284 -5.536 1.00 75.55 C ATOM 0 HA ALA A 3 7.922 -0.255 -4.885 1.00 62.20 H new ATOM 0 HB1 ALA A 3 8.627 -2.029 -6.457 1.00 75.55 H new ATOM 0 HB2 ALA A 3 8.829 -2.530 -4.762 1.00 75.55 H new ATOM 0 HB3 ALA A 3 7.456 -3.143 -5.713 1.00 75.55 H new ATOM 47 N PRO A 4 6.746 0.209 -7.074 1.00 24.42 N ATOM 48 CA PRO A 4 5.933 0.703 -8.188 1.00 54.13 C ATOM 49 C PRO A 4 5.687 -0.367 -9.246 1.00 43.05 C ATOM 50 O PRO A 4 6.299 -1.436 -9.237 1.00 14.44 O ATOM 51 CB PRO A 4 6.776 1.842 -8.765 1.00 45.45 C ATOM 52 CG PRO A 4 8.178 1.505 -8.388 1.00 35.10 C ATOM 53 CD PRO A 4 8.092 0.807 -7.059 1.00 14.44 C ATOM 0 HA PRO A 4 4.940 1.013 -7.862 1.00 54.13 H new ATOM 0 HB2 PRO A 4 6.662 1.910 -9.847 1.00 45.45 H new ATOM 0 HB3 PRO A 4 6.476 2.805 -8.352 1.00 45.45 H new ATOM 0 HG2 PRO A 4 8.640 0.862 -9.137 1.00 35.10 H new ATOM 0 HG3 PRO A 4 8.790 2.404 -8.318 1.00 35.10 H new ATOM 0 HD2 PRO A 4 8.868 0.048 -6.953 1.00 14.44 H new ATOM 0 HD3 PRO A 4 8.213 1.505 -6.230 1.00 14.44 H new ATOM 61 N PRO A 5 4.772 -0.076 -10.183 1.00 10.23 N ATOM 62 CA PRO A 5 4.426 -1.001 -11.266 1.00 51.41 C ATOM 63 C PRO A 5 5.555 -1.156 -12.279 1.00 3.32 C ATOM 64 O PRO A 5 6.142 -0.170 -12.724 1.00 1.10 O ATOM 65 CB PRO A 5 3.208 -0.342 -11.920 1.00 5.25 C ATOM 66 CG PRO A 5 3.349 1.108 -11.607 1.00 43.13 C ATOM 67 CD PRO A 5 4.005 1.179 -10.256 1.00 33.01 C ATOM 0 HA PRO A 5 4.236 -2.008 -10.896 1.00 51.41 H new ATOM 0 HB2 PRO A 5 3.194 -0.515 -12.996 1.00 5.25 H new ATOM 0 HB3 PRO A 5 2.277 -0.745 -11.520 1.00 5.25 H new ATOM 0 HG2 PRO A 5 3.953 1.613 -12.361 1.00 43.13 H new ATOM 0 HG3 PRO A 5 2.377 1.601 -11.595 1.00 43.13 H new ATOM 0 HD2 PRO A 5 4.653 2.051 -10.169 1.00 33.01 H new ATOM 0 HD3 PRO A 5 3.269 1.247 -9.455 1.00 33.01 H new ATOM 75 N ALA A 6 5.854 -2.400 -12.639 1.00 3.51 N ATOM 76 CA ALA A 6 6.912 -2.683 -13.601 1.00 52.12 C ATOM 77 C ALA A 6 6.400 -2.556 -15.032 1.00 44.22 C ATOM 78 O ALA A 6 5.277 -2.956 -15.340 1.00 22.53 O ATOM 79 CB ALA A 6 7.482 -4.073 -13.364 1.00 64.31 C ATOM 0 H ALA A 6 5.379 -3.228 -12.279 1.00 3.51 H new ATOM 0 HA ALA A 6 7.705 -1.948 -13.460 1.00 52.12 H new ATOM 0 HB1 ALA A 6 8.271 -4.271 -14.089 1.00 64.31 H new ATOM 0 HB2 ALA A 6 7.893 -4.131 -12.356 1.00 64.31 H new ATOM 0 HB3 ALA A 6 6.691 -4.815 -13.477 1.00 64.31 H new ATOM 85 N THR A 7 7.231 -1.995 -15.905 1.00 44.42 N ATOM 86 CA THR A 7 6.863 -1.813 -17.303 1.00 54.14 C ATOM 87 C THR A 7 7.490 -2.889 -18.182 1.00 21.11 C ATOM 88 O THR A 7 8.488 -2.646 -18.862 1.00 31.10 O ATOM 89 CB THR A 7 7.292 -0.428 -17.822 1.00 44.32 C ATOM 90 OG1 THR A 7 6.808 0.596 -16.945 1.00 63.34 O ATOM 91 CG2 THR A 7 6.764 -0.189 -19.229 1.00 4.02 C ATOM 0 H THR A 7 8.164 -1.659 -15.668 1.00 44.42 H new ATOM 0 HA THR A 7 5.777 -1.892 -17.356 1.00 54.14 H new ATOM 0 HB THR A 7 8.381 -0.397 -17.850 1.00 44.32 H new ATOM 0 HG1 THR A 7 7.087 1.473 -17.281 1.00 63.34 H new ATOM 0 HG21 THR A 7 7.080 0.796 -19.574 1.00 4.02 H new ATOM 0 HG22 THR A 7 7.158 -0.952 -19.900 1.00 4.02 H new ATOM 0 HG23 THR A 7 5.675 -0.239 -19.222 1.00 4.02 H new ATOM 99 N LEU A 8 6.900 -4.079 -18.164 1.00 53.01 N ATOM 100 CA LEU A 8 7.401 -5.194 -18.961 1.00 11.34 C ATOM 101 C LEU A 8 6.982 -5.052 -20.420 1.00 54.23 C ATOM 102 O LEU A 8 5.806 -5.192 -20.754 1.00 74.11 O ATOM 103 CB LEU A 8 6.888 -6.520 -18.397 1.00 73.03 C ATOM 104 CG LEU A 8 6.959 -6.676 -16.878 1.00 32.31 C ATOM 105 CD1 LEU A 8 5.628 -6.307 -16.241 1.00 22.35 C ATOM 106 CD2 LEU A 8 7.354 -8.098 -16.506 1.00 4.21 C ATOM 0 H LEU A 8 6.074 -4.297 -17.606 1.00 53.01 H new ATOM 0 HA LEU A 8 8.490 -5.183 -18.913 1.00 11.34 H new ATOM 0 HB2 LEU A 8 5.851 -6.646 -18.707 1.00 73.03 H new ATOM 0 HB3 LEU A 8 7.458 -7.330 -18.852 1.00 73.03 H new ATOM 0 HG LEU A 8 7.722 -5.997 -16.497 1.00 32.31 H new ATOM 0 HD11 LEU A 8 5.697 -6.424 -15.160 1.00 22.35 H new ATOM 0 HD12 LEU A 8 5.385 -5.271 -16.479 1.00 22.35 H new ATOM 0 HD13 LEU A 8 4.846 -6.961 -16.627 1.00 22.35 H new ATOM 0 HD21 LEU A 8 7.400 -8.191 -15.421 1.00 4.21 H new ATOM 0 HD22 LEU A 8 6.615 -8.796 -16.899 1.00 4.21 H new ATOM 0 HD23 LEU A 8 8.331 -8.327 -16.931 1.00 4.21 H new ATOM 118 N GLU A 9 7.952 -4.775 -21.285 1.00 43.14 N ATOM 119 CA GLU A 9 7.683 -4.616 -22.710 1.00 11.14 C ATOM 120 C GLU A 9 7.517 -5.973 -23.387 1.00 32.22 C ATOM 121 O GLU A 9 7.259 -6.980 -22.728 1.00 13.01 O ATOM 122 CB GLU A 9 8.814 -3.834 -23.381 1.00 13.30 C ATOM 123 CG GLU A 9 9.243 -2.599 -22.607 1.00 14.42 C ATOM 124 CD GLU A 9 8.766 -1.311 -23.252 1.00 23.45 C ATOM 125 OE1 GLU A 9 7.601 -0.928 -23.019 1.00 75.20 O ATOM 126 OE2 GLU A 9 9.558 -0.688 -23.988 1.00 44.32 O ATOM 0 H GLU A 9 8.931 -4.656 -21.025 1.00 43.14 H new ATOM 0 HA GLU A 9 6.752 -4.059 -22.818 1.00 11.14 H new ATOM 0 HB2 GLU A 9 9.675 -4.491 -23.506 1.00 13.30 H new ATOM 0 HB3 GLU A 9 8.495 -3.534 -24.379 1.00 13.30 H new ATOM 0 HG2 GLU A 9 8.853 -2.658 -21.591 1.00 14.42 H new ATOM 0 HG3 GLU A 9 10.330 -2.582 -22.531 1.00 14.42 H new ATOM 133 N ALA A 10 7.666 -5.991 -24.707 1.00 63.33 N ATOM 134 CA ALA A 10 7.535 -7.224 -25.474 1.00 55.22 C ATOM 135 C ALA A 10 8.585 -7.299 -26.577 1.00 22.43 C ATOM 136 O ALA A 10 8.300 -7.010 -27.739 1.00 44.12 O ATOM 137 CB ALA A 10 6.137 -7.330 -26.066 1.00 71.21 C ATOM 0 H ALA A 10 7.878 -5.166 -25.268 1.00 63.33 H new ATOM 0 HA ALA A 10 7.697 -8.063 -24.797 1.00 55.22 H new ATOM 0 HB1 ALA A 10 6.053 -8.255 -26.636 1.00 71.21 H new ATOM 0 HB2 ALA A 10 5.401 -7.331 -25.262 1.00 71.21 H new ATOM 0 HB3 ALA A 10 5.955 -6.480 -26.724 1.00 71.21 H new ATOM 143 N ILE A 11 9.800 -7.689 -26.204 1.00 73.04 N ATOM 144 CA ILE A 11 10.892 -7.803 -27.163 1.00 2.54 C ATOM 145 C ILE A 11 10.697 -9.005 -28.079 1.00 73.43 C ATOM 146 O ILE A 11 9.790 -9.814 -27.876 1.00 41.30 O ATOM 147 CB ILE A 11 12.253 -7.928 -26.453 1.00 21.25 C ATOM 148 CG1 ILE A 11 12.362 -6.899 -25.325 1.00 72.24 C ATOM 149 CG2 ILE A 11 13.389 -7.752 -27.449 1.00 71.03 C ATOM 150 CD1 ILE A 11 12.810 -5.533 -25.795 1.00 62.25 C ATOM 0 H ILE A 11 10.052 -7.931 -25.246 1.00 73.04 H new ATOM 0 HA ILE A 11 10.884 -6.891 -27.759 1.00 2.54 H new ATOM 0 HB ILE A 11 12.328 -8.925 -26.018 1.00 21.25 H new ATOM 0 HG12 ILE A 11 11.393 -6.806 -24.834 1.00 72.24 H new ATOM 0 HG13 ILE A 11 13.065 -7.265 -24.577 1.00 72.24 H new ATOM 0 HG21 ILE A 11 14.344 -7.843 -26.932 1.00 71.03 H new ATOM 0 HG22 ILE A 11 13.319 -8.520 -28.220 1.00 71.03 H new ATOM 0 HG23 ILE A 11 13.319 -6.767 -27.910 1.00 71.03 H new ATOM 0 HD11 ILE A 11 12.865 -4.855 -24.943 1.00 62.25 H new ATOM 0 HD12 ILE A 11 13.793 -5.612 -26.260 1.00 62.25 H new ATOM 0 HD13 ILE A 11 12.095 -5.146 -26.521 1.00 62.25 H new ATOM 162 N HIS A 12 11.554 -9.119 -29.089 1.00 24.15 N ATOM 163 CA HIS A 12 11.478 -10.225 -30.036 1.00 32.41 C ATOM 164 C HIS A 12 11.498 -11.566 -29.308 1.00 62.32 C ATOM 165 O HIS A 12 11.714 -11.640 -28.098 1.00 71.23 O ATOM 166 CB HIS A 12 12.637 -10.154 -31.031 1.00 32.15 C ATOM 167 CG HIS A 12 12.212 -9.794 -32.421 1.00 12.43 C ATOM 168 ND1 HIS A 12 12.803 -10.321 -33.549 1.00 61.31 N ATOM 169 CD2 HIS A 12 11.246 -8.954 -32.862 1.00 2.35 C ATOM 170 CE1 HIS A 12 12.221 -9.820 -34.624 1.00 32.31 C ATOM 171 NE2 HIS A 12 11.272 -8.988 -34.234 1.00 42.10 N ATOM 0 H HIS A 12 12.309 -8.458 -29.272 1.00 24.15 H new ATOM 0 HA HIS A 12 10.537 -10.141 -30.580 1.00 32.41 H new ATOM 0 HB2 HIS A 12 13.362 -9.420 -30.680 1.00 32.15 H new ATOM 0 HB3 HIS A 12 13.145 -11.118 -31.054 1.00 32.15 H new ATOM 0 HD2 HIS A 12 10.579 -8.367 -32.248 1.00 2.35 H new ATOM 0 HE1 HIS A 12 12.477 -10.051 -35.647 1.00 32.31 H new ATOM 0 HE2 HIS A 12 10.658 -8.457 -34.852 1.00 42.10 H new ATOM 179 N PRO A 13 11.268 -12.652 -30.061 1.00 33.31 N ATOM 180 CA PRO A 13 11.254 -14.010 -29.508 1.00 62.03 C ATOM 181 C PRO A 13 12.643 -14.477 -29.085 1.00 74.50 C ATOM 182 O PRO A 13 12.891 -15.676 -28.950 1.00 4.32 O ATOM 183 CB PRO A 13 10.735 -14.861 -30.670 1.00 53.41 C ATOM 184 CG PRO A 13 11.092 -14.090 -31.894 1.00 2.44 C ATOM 185 CD PRO A 13 11.003 -12.639 -31.509 1.00 41.54 C ATOM 0 HA PRO A 13 10.644 -14.077 -28.607 1.00 62.03 H new ATOM 0 HB2 PRO A 13 11.197 -15.848 -30.675 1.00 53.41 H new ATOM 0 HB3 PRO A 13 9.658 -15.014 -30.599 1.00 53.41 H new ATOM 0 HG2 PRO A 13 12.096 -14.342 -32.235 1.00 2.44 H new ATOM 0 HG3 PRO A 13 10.410 -14.319 -32.713 1.00 2.44 H new ATOM 0 HD2 PRO A 13 11.735 -12.035 -32.046 1.00 41.54 H new ATOM 0 HD3 PRO A 13 10.021 -12.223 -31.734 1.00 41.54 H new ATOM 193 N LYS A 14 13.545 -13.524 -28.877 1.00 34.45 N ATOM 194 CA LYS A 14 14.908 -13.838 -28.467 1.00 4.54 C ATOM 195 C LYS A 14 15.276 -13.095 -27.186 1.00 53.30 C ATOM 196 O LYS A 14 16.453 -12.928 -26.870 1.00 12.43 O ATOM 197 CB LYS A 14 15.894 -13.474 -29.580 1.00 34.41 C ATOM 198 CG LYS A 14 16.146 -11.982 -29.705 1.00 45.04 C ATOM 199 CD LYS A 14 17.105 -11.673 -30.844 1.00 14.55 C ATOM 200 CE LYS A 14 17.008 -10.217 -31.273 1.00 52.32 C ATOM 201 NZ LYS A 14 16.784 -10.085 -32.740 1.00 3.14 N ATOM 0 H LYS A 14 13.356 -12.528 -28.986 1.00 34.45 H new ATOM 0 HA LYS A 14 14.965 -14.909 -28.275 1.00 4.54 H new ATOM 0 HB2 LYS A 14 16.842 -13.980 -29.394 1.00 34.41 H new ATOM 0 HB3 LYS A 14 15.513 -13.850 -30.529 1.00 34.41 H new ATOM 0 HG2 LYS A 14 15.201 -11.465 -29.873 1.00 45.04 H new ATOM 0 HG3 LYS A 14 16.556 -11.601 -28.769 1.00 45.04 H new ATOM 0 HD2 LYS A 14 18.126 -11.895 -30.532 1.00 14.55 H new ATOM 0 HD3 LYS A 14 16.884 -12.319 -31.693 1.00 14.55 H new ATOM 0 HE2 LYS A 14 16.192 -9.734 -30.736 1.00 52.32 H new ATOM 0 HE3 LYS A 14 17.924 -9.695 -30.997 1.00 52.32 H new ATOM 0 HZ1 LYS A 14 16.724 -9.078 -32.993 1.00 3.14 H new ATOM 0 HZ2 LYS A 14 17.575 -10.524 -33.253 1.00 3.14 H new ATOM 0 HZ3 LYS A 14 15.897 -10.561 -33.000 1.00 3.14 H new ATOM 215 N GLY A 15 14.260 -12.652 -26.452 1.00 15.33 N ATOM 216 CA GLY A 15 14.497 -11.933 -25.213 1.00 71.33 C ATOM 217 C GLY A 15 13.329 -11.049 -24.823 1.00 20.53 C ATOM 218 O GLY A 15 12.299 -11.034 -25.499 1.00 3.35 O ATOM 0 H GLY A 15 13.277 -12.778 -26.693 1.00 15.33 H new ATOM 0 HA2 GLY A 15 14.691 -12.648 -24.413 1.00 71.33 H new ATOM 0 HA3 GLY A 15 15.393 -11.321 -25.317 1.00 71.33 H new ATOM 222 N LEU A 16 13.487 -10.313 -23.729 1.00 12.14 N ATOM 223 CA LEU A 16 12.436 -9.423 -23.247 1.00 52.13 C ATOM 224 C LEU A 16 13.030 -8.234 -22.498 1.00 75.30 C ATOM 225 O LEU A 16 14.216 -8.225 -22.169 1.00 71.02 O ATOM 226 CB LEU A 16 11.472 -10.185 -22.336 1.00 24.31 C ATOM 227 CG LEU A 16 10.212 -9.431 -21.910 1.00 44.22 C ATOM 228 CD1 LEU A 16 9.446 -8.940 -23.129 1.00 64.51 C ATOM 229 CD2 LEU A 16 9.329 -10.315 -21.043 1.00 34.41 C ATOM 0 H LEU A 16 14.333 -10.315 -23.159 1.00 12.14 H new ATOM 0 HA LEU A 16 11.888 -9.047 -24.111 1.00 52.13 H new ATOM 0 HB2 LEU A 16 11.169 -11.100 -22.846 1.00 24.31 H new ATOM 0 HB3 LEU A 16 12.013 -10.485 -21.438 1.00 24.31 H new ATOM 0 HG LEU A 16 10.512 -8.564 -21.322 1.00 44.22 H new ATOM 0 HD11 LEU A 16 8.552 -8.406 -22.806 1.00 64.51 H new ATOM 0 HD12 LEU A 16 10.079 -8.270 -23.711 1.00 64.51 H new ATOM 0 HD13 LEU A 16 9.157 -9.792 -23.745 1.00 64.51 H new ATOM 0 HD21 LEU A 16 8.437 -9.762 -20.749 1.00 34.41 H new ATOM 0 HD22 LEU A 16 9.037 -11.202 -21.606 1.00 34.41 H new ATOM 0 HD23 LEU A 16 9.879 -10.616 -20.152 1.00 34.41 H new ATOM 241 N ARG A 17 12.196 -7.234 -22.230 1.00 22.43 N ATOM 242 CA ARG A 17 12.638 -6.041 -21.518 1.00 65.31 C ATOM 243 C ARG A 17 11.687 -5.708 -20.372 1.00 44.35 C ATOM 244 O ARG A 17 10.471 -5.843 -20.502 1.00 73.12 O ATOM 245 CB ARG A 17 12.733 -4.854 -22.479 1.00 21.43 C ATOM 246 CG ARG A 17 13.257 -3.585 -21.828 1.00 43.31 C ATOM 247 CD ARG A 17 12.941 -2.357 -22.668 1.00 22.00 C ATOM 248 NE ARG A 17 14.133 -1.813 -23.313 1.00 62.41 N ATOM 249 CZ ARG A 17 14.136 -0.695 -24.030 1.00 74.21 C ATOM 250 NH1 ARG A 17 13.015 -0.005 -24.192 1.00 71.43 N ATOM 251 NH2 ARG A 17 15.261 -0.264 -24.586 1.00 73.52 N ATOM 0 H ARG A 17 11.211 -7.227 -22.495 1.00 22.43 H new ATOM 0 HA ARG A 17 13.625 -6.242 -21.101 1.00 65.31 H new ATOM 0 HB2 ARG A 17 13.385 -5.122 -23.311 1.00 21.43 H new ATOM 0 HB3 ARG A 17 11.746 -4.657 -22.898 1.00 21.43 H new ATOM 0 HG2 ARG A 17 12.815 -3.473 -20.838 1.00 43.31 H new ATOM 0 HG3 ARG A 17 14.335 -3.665 -21.689 1.00 43.31 H new ATOM 0 HD2 ARG A 17 12.205 -2.618 -23.428 1.00 22.00 H new ATOM 0 HD3 ARG A 17 12.490 -1.592 -22.036 1.00 22.00 H new ATOM 0 HE ARG A 17 15.012 -2.320 -23.207 1.00 62.41 H new ATOM 0 HH11 ARG A 17 12.148 -0.333 -23.766 1.00 71.43 H new ATOM 0 HH12 ARG A 17 13.020 0.853 -24.743 1.00 71.43 H new ATOM 0 HH21 ARG A 17 16.125 -0.791 -24.463 1.00 73.52 H new ATOM 0 HH22 ARG A 17 15.261 0.595 -25.136 1.00 73.52 H new ATOM 265 N VAL A 18 12.251 -5.271 -19.250 1.00 71.24 N ATOM 266 CA VAL A 18 11.454 -4.918 -18.082 1.00 13.40 C ATOM 267 C VAL A 18 12.127 -3.817 -17.270 1.00 51.21 C ATOM 268 O VAL A 18 13.128 -4.054 -16.594 1.00 42.44 O ATOM 269 CB VAL A 18 11.217 -6.139 -17.174 1.00 1.35 C ATOM 270 CG1 VAL A 18 10.550 -5.716 -15.874 1.00 20.15 C ATOM 271 CG2 VAL A 18 10.382 -7.185 -17.895 1.00 72.43 C ATOM 0 H VAL A 18 13.257 -5.153 -19.126 1.00 71.24 H new ATOM 0 HA VAL A 18 10.494 -4.558 -18.451 1.00 13.40 H new ATOM 0 HB VAL A 18 12.183 -6.582 -16.932 1.00 1.35 H new ATOM 0 HG11 VAL A 18 10.390 -6.592 -15.245 1.00 20.15 H new ATOM 0 HG12 VAL A 18 11.190 -5.006 -15.351 1.00 20.15 H new ATOM 0 HG13 VAL A 18 9.591 -5.247 -16.093 1.00 20.15 H new ATOM 0 HG21 VAL A 18 10.224 -8.041 -17.238 1.00 72.43 H new ATOM 0 HG22 VAL A 18 9.418 -6.756 -18.169 1.00 72.43 H new ATOM 0 HG23 VAL A 18 10.904 -7.510 -18.795 1.00 72.43 H new ATOM 281 N SER A 19 11.570 -2.612 -17.341 1.00 11.01 N ATOM 282 CA SER A 19 12.118 -1.472 -16.615 1.00 22.52 C ATOM 283 C SER A 19 11.090 -0.902 -15.642 1.00 63.41 C ATOM 284 O SER A 19 9.885 -1.077 -15.822 1.00 30.04 O ATOM 285 CB SER A 19 12.568 -0.386 -17.593 1.00 65.03 C ATOM 286 OG SER A 19 12.792 0.843 -16.924 1.00 30.44 O ATOM 0 H SER A 19 10.740 -2.400 -17.894 1.00 11.01 H new ATOM 0 HA SER A 19 12.980 -1.817 -16.044 1.00 22.52 H new ATOM 0 HB2 SER A 19 13.482 -0.702 -18.096 1.00 65.03 H new ATOM 0 HB3 SER A 19 11.810 -0.251 -18.365 1.00 65.03 H new ATOM 0 HG SER A 19 12.765 1.578 -17.572 1.00 30.44 H new ATOM 292 N VAL A 20 11.576 -0.220 -14.610 1.00 43.53 N ATOM 293 CA VAL A 20 10.701 0.378 -13.609 1.00 24.14 C ATOM 294 C VAL A 20 11.270 1.697 -13.099 1.00 2.23 C ATOM 295 O VAL A 20 12.482 1.916 -13.085 1.00 72.52 O ATOM 296 CB VAL A 20 10.485 -0.571 -12.415 1.00 1.13 C ATOM 297 CG1 VAL A 20 10.208 -1.986 -12.900 1.00 41.41 C ATOM 298 CG2 VAL A 20 11.691 -0.543 -11.487 1.00 73.04 C ATOM 0 H VAL A 20 12.571 -0.068 -14.445 1.00 43.53 H new ATOM 0 HA VAL A 20 9.743 0.563 -14.095 1.00 24.14 H new ATOM 0 HB VAL A 20 9.615 -0.228 -11.854 1.00 1.13 H new ATOM 0 HG11 VAL A 20 10.058 -2.642 -12.042 1.00 41.41 H new ATOM 0 HG12 VAL A 20 9.312 -1.989 -13.520 1.00 41.41 H new ATOM 0 HG13 VAL A 20 11.056 -2.342 -13.485 1.00 41.41 H new ATOM 0 HG21 VAL A 20 11.521 -1.219 -10.649 1.00 73.04 H new ATOM 0 HG22 VAL A 20 12.579 -0.860 -12.034 1.00 73.04 H new ATOM 0 HG23 VAL A 20 11.838 0.470 -11.112 1.00 73.04 H new ATOM 308 N PRO A 21 10.376 2.600 -12.668 1.00 64.20 N ATOM 309 CA PRO A 21 10.766 3.914 -12.148 1.00 30.33 C ATOM 310 C PRO A 21 11.467 3.818 -10.797 1.00 35.33 C ATOM 311 O PRO A 21 10.903 3.304 -9.830 1.00 4.11 O ATOM 312 CB PRO A 21 9.431 4.649 -12.007 1.00 1.52 C ATOM 313 CG PRO A 21 8.419 3.569 -11.841 1.00 53.13 C ATOM 314 CD PRO A 21 8.917 2.407 -12.655 1.00 74.13 C ATOM 0 HA PRO A 21 11.478 4.417 -12.802 1.00 30.33 H new ATOM 0 HB2 PRO A 21 9.438 5.320 -11.148 1.00 1.52 H new ATOM 0 HB3 PRO A 21 9.220 5.258 -12.886 1.00 1.52 H new ATOM 0 HG2 PRO A 21 8.311 3.293 -10.792 1.00 53.13 H new ATOM 0 HG3 PRO A 21 7.439 3.896 -12.187 1.00 53.13 H new ATOM 0 HD2 PRO A 21 8.642 1.453 -12.204 1.00 74.13 H new ATOM 0 HD3 PRO A 21 8.502 2.415 -13.663 1.00 74.13 H new ATOM 322 N ASP A 22 12.697 4.315 -10.737 1.00 12.21 N ATOM 323 CA ASP A 22 13.474 4.287 -9.503 1.00 71.13 C ATOM 324 C ASP A 22 12.981 5.350 -8.526 1.00 63.12 C ATOM 325 O ASP A 22 12.814 6.513 -8.893 1.00 34.53 O ATOM 326 CB ASP A 22 14.958 4.502 -9.805 1.00 52.20 C ATOM 327 CG ASP A 22 15.737 4.956 -8.586 1.00 55.21 C ATOM 328 OD1 ASP A 22 15.832 6.182 -8.365 1.00 62.14 O ATOM 329 OD2 ASP A 22 16.250 4.086 -7.852 1.00 74.13 O ATOM 0 H ASP A 22 13.178 4.742 -11.528 1.00 12.21 H new ATOM 0 HA ASP A 22 13.343 3.308 -9.042 1.00 71.13 H new ATOM 0 HB2 ASP A 22 15.387 3.574 -10.182 1.00 52.20 H new ATOM 0 HB3 ASP A 22 15.061 5.245 -10.596 1.00 52.20 H new ATOM 334 N GLU A 23 12.751 4.942 -7.282 1.00 73.22 N ATOM 335 CA GLU A 23 12.275 5.860 -6.254 1.00 24.33 C ATOM 336 C GLU A 23 13.267 5.941 -5.097 1.00 1.13 C ATOM 337 O GLU A 23 12.900 6.282 -3.973 1.00 21.30 O ATOM 338 CB GLU A 23 10.906 5.415 -5.736 1.00 11.34 C ATOM 339 CG GLU A 23 9.976 6.571 -5.406 1.00 73.41 C ATOM 340 CD GLU A 23 9.107 6.293 -4.195 1.00 34.40 C ATOM 341 OE1 GLU A 23 8.336 5.311 -4.230 1.00 32.12 O ATOM 342 OE2 GLU A 23 9.198 7.057 -3.212 1.00 1.52 O ATOM 0 H GLU A 23 12.886 3.983 -6.962 1.00 73.22 H new ATOM 0 HA GLU A 23 12.182 6.850 -6.701 1.00 24.33 H new ATOM 0 HB2 GLU A 23 10.432 4.781 -6.485 1.00 11.34 H new ATOM 0 HB3 GLU A 23 11.045 4.805 -4.843 1.00 11.34 H new ATOM 0 HG2 GLU A 23 10.568 7.468 -5.226 1.00 73.41 H new ATOM 0 HG3 GLU A 23 9.339 6.777 -6.266 1.00 73.41 H new ATOM 349 N GLY A 24 14.527 5.625 -5.381 1.00 71.12 N ATOM 350 CA GLY A 24 15.552 5.668 -4.355 1.00 63.52 C ATOM 351 C GLY A 24 16.089 4.291 -4.014 1.00 53.50 C ATOM 352 O GLY A 24 16.884 4.140 -3.086 1.00 74.52 O ATOM 0 H GLY A 24 14.856 5.340 -6.303 1.00 71.12 H new ATOM 0 HA2 GLY A 24 16.373 6.302 -4.692 1.00 63.52 H new ATOM 0 HA3 GLY A 24 15.143 6.128 -3.456 1.00 63.52 H new ATOM 356 N PHE A 25 15.652 3.285 -4.764 1.00 43.24 N ATOM 357 CA PHE A 25 16.092 1.914 -4.535 1.00 33.21 C ATOM 358 C PHE A 25 17.614 1.816 -4.581 1.00 32.54 C ATOM 359 O PHE A 25 18.289 2.709 -5.092 1.00 21.31 O ATOM 360 CB PHE A 25 15.477 0.978 -5.578 1.00 24.34 C ATOM 361 CG PHE A 25 13.981 1.075 -5.663 1.00 50.21 C ATOM 362 CD1 PHE A 25 13.177 0.401 -4.759 1.00 33.41 C ATOM 363 CD2 PHE A 25 13.379 1.841 -6.648 1.00 53.13 C ATOM 364 CE1 PHE A 25 11.799 0.488 -4.835 1.00 3.55 C ATOM 365 CE2 PHE A 25 12.002 1.933 -6.729 1.00 10.14 C ATOM 366 CZ PHE A 25 11.211 1.255 -5.821 1.00 43.04 C ATOM 0 H PHE A 25 14.994 3.393 -5.535 1.00 43.24 H new ATOM 0 HA PHE A 25 15.756 1.612 -3.543 1.00 33.21 H new ATOM 0 HB2 PHE A 25 15.904 1.205 -6.555 1.00 24.34 H new ATOM 0 HB3 PHE A 25 15.753 -0.049 -5.340 1.00 24.34 H new ATOM 0 HD1 PHE A 25 13.632 -0.200 -3.985 1.00 33.41 H new ATOM 0 HD2 PHE A 25 13.992 2.372 -7.361 1.00 53.13 H new ATOM 0 HE1 PHE A 25 11.184 -0.043 -4.124 1.00 3.55 H new ATOM 0 HE2 PHE A 25 11.545 2.534 -7.501 1.00 10.14 H new ATOM 0 HZ PHE A 25 10.135 1.325 -5.883 1.00 43.04 H new ATOM 376 N SER A 26 18.147 0.724 -4.042 1.00 33.43 N ATOM 377 CA SER A 26 19.589 0.509 -4.016 1.00 51.54 C ATOM 378 C SER A 26 19.942 -0.876 -4.550 1.00 12.32 C ATOM 379 O SER A 26 21.113 -1.192 -4.762 1.00 61.31 O ATOM 380 CB SER A 26 20.125 0.672 -2.593 1.00 1.11 C ATOM 381 OG SER A 26 21.537 0.798 -2.591 1.00 14.22 O ATOM 0 H SER A 26 17.601 -0.026 -3.617 1.00 33.43 H new ATOM 0 HA SER A 26 20.054 1.256 -4.659 1.00 51.54 H new ATOM 0 HB2 SER A 26 19.678 1.552 -2.131 1.00 1.11 H new ATOM 0 HB3 SER A 26 19.833 -0.188 -1.990 1.00 1.11 H new ATOM 0 HG SER A 26 21.918 0.224 -3.288 1.00 14.22 H new ATOM 387 N LEU A 27 18.921 -1.698 -4.764 1.00 54.22 N ATOM 388 CA LEU A 27 19.121 -3.050 -5.273 1.00 60.21 C ATOM 389 C LEU A 27 17.845 -3.585 -5.915 1.00 32.34 C ATOM 390 O LEU A 27 16.742 -3.340 -5.426 1.00 53.30 O ATOM 391 CB LEU A 27 19.566 -3.981 -4.143 1.00 43.44 C ATOM 392 CG LEU A 27 19.195 -5.455 -4.303 1.00 24.41 C ATOM 393 CD1 LEU A 27 17.696 -5.649 -4.140 1.00 71.42 C ATOM 394 CD2 LEU A 27 19.659 -5.979 -5.655 1.00 2.25 C ATOM 0 H LEU A 27 17.946 -1.452 -4.593 1.00 54.22 H new ATOM 0 HA LEU A 27 19.901 -3.013 -6.034 1.00 60.21 H new ATOM 0 HB2 LEU A 27 20.649 -3.908 -4.045 1.00 43.44 H new ATOM 0 HB3 LEU A 27 19.136 -3.618 -3.210 1.00 43.44 H new ATOM 0 HG LEU A 27 19.701 -6.023 -3.523 1.00 24.41 H new ATOM 0 HD11 LEU A 27 17.451 -6.705 -4.257 1.00 71.42 H new ATOM 0 HD12 LEU A 27 17.391 -5.314 -3.149 1.00 71.42 H new ATOM 0 HD13 LEU A 27 17.169 -5.068 -4.897 1.00 71.42 H new ATOM 0 HD21 LEU A 27 19.386 -7.030 -5.751 1.00 2.25 H new ATOM 0 HD22 LEU A 27 19.182 -5.406 -6.450 1.00 2.25 H new ATOM 0 HD23 LEU A 27 20.741 -5.877 -5.733 1.00 2.25 H new ATOM 406 N PHE A 28 18.003 -4.320 -7.011 1.00 13.31 N ATOM 407 CA PHE A 28 16.863 -4.891 -7.719 1.00 62.10 C ATOM 408 C PHE A 28 17.135 -6.342 -8.105 1.00 33.22 C ATOM 409 O PHE A 28 18.280 -6.732 -8.329 1.00 60.14 O ATOM 410 CB PHE A 28 16.549 -4.069 -8.971 1.00 21.03 C ATOM 411 CG PHE A 28 15.095 -3.716 -9.107 1.00 65.41 C ATOM 412 CD1 PHE A 28 14.147 -4.703 -9.323 1.00 40.05 C ATOM 413 CD2 PHE A 28 14.678 -2.398 -9.020 1.00 34.24 C ATOM 414 CE1 PHE A 28 12.808 -4.382 -9.449 1.00 65.01 C ATOM 415 CE2 PHE A 28 13.341 -2.071 -9.144 1.00 35.30 C ATOM 416 CZ PHE A 28 12.405 -3.064 -9.360 1.00 70.22 C ATOM 0 H PHE A 28 18.909 -4.534 -7.428 1.00 13.31 H new ATOM 0 HA PHE A 28 16.002 -4.866 -7.051 1.00 62.10 H new ATOM 0 HB2 PHE A 28 17.137 -3.151 -8.951 1.00 21.03 H new ATOM 0 HB3 PHE A 28 16.863 -4.629 -9.852 1.00 21.03 H new ATOM 0 HD1 PHE A 28 14.457 -5.735 -9.394 1.00 40.05 H new ATOM 0 HD2 PHE A 28 15.406 -1.617 -8.853 1.00 34.24 H new ATOM 0 HE1 PHE A 28 12.079 -5.161 -9.617 1.00 65.01 H new ATOM 0 HE2 PHE A 28 13.028 -1.040 -9.072 1.00 35.30 H new ATOM 0 HZ PHE A 28 11.360 -2.810 -9.459 1.00 70.22 H new ATOM 426 N ALA A 29 16.072 -7.137 -8.179 1.00 22.22 N ATOM 427 CA ALA A 29 16.195 -8.544 -8.538 1.00 74.45 C ATOM 428 C ALA A 29 15.047 -8.982 -9.443 1.00 1.25 C ATOM 429 O ALA A 29 13.890 -8.633 -9.207 1.00 21.23 O ATOM 430 CB ALA A 29 16.241 -9.407 -7.286 1.00 73.11 C ATOM 0 H ALA A 29 15.117 -6.830 -7.995 1.00 22.22 H new ATOM 0 HA ALA A 29 17.127 -8.673 -9.088 1.00 74.45 H new ATOM 0 HB1 ALA A 29 16.333 -10.455 -7.570 1.00 73.11 H new ATOM 0 HB2 ALA A 29 17.098 -9.119 -6.677 1.00 73.11 H new ATOM 0 HB3 ALA A 29 15.325 -9.265 -6.713 1.00 73.11 H new ATOM 436 N PHE A 30 15.375 -9.747 -10.479 1.00 12.34 N ATOM 437 CA PHE A 30 14.371 -10.230 -11.420 1.00 22.45 C ATOM 438 C PHE A 30 14.335 -11.756 -11.440 1.00 0.32 C ATOM 439 O PHE A 30 15.323 -12.407 -11.782 1.00 13.13 O ATOM 440 CB PHE A 30 14.660 -9.697 -12.824 1.00 75.14 C ATOM 441 CG PHE A 30 14.416 -8.222 -12.967 1.00 75.05 C ATOM 442 CD1 PHE A 30 15.005 -7.321 -12.095 1.00 61.22 C ATOM 443 CD2 PHE A 30 13.597 -7.736 -13.974 1.00 62.24 C ATOM 444 CE1 PHE A 30 14.781 -5.963 -12.224 1.00 65.42 C ATOM 445 CE2 PHE A 30 13.370 -6.379 -14.109 1.00 22.34 C ATOM 446 CZ PHE A 30 13.964 -5.492 -13.233 1.00 1.21 C ATOM 0 H PHE A 30 16.328 -10.046 -10.688 1.00 12.34 H new ATOM 0 HA PHE A 30 13.397 -9.865 -11.094 1.00 22.45 H new ATOM 0 HB2 PHE A 30 15.698 -9.912 -13.079 1.00 75.14 H new ATOM 0 HB3 PHE A 30 14.038 -10.231 -13.542 1.00 75.14 H new ATOM 0 HD1 PHE A 30 15.646 -7.684 -11.305 1.00 61.22 H new ATOM 0 HD2 PHE A 30 13.130 -8.426 -14.662 1.00 62.24 H new ATOM 0 HE1 PHE A 30 15.244 -5.271 -11.536 1.00 65.42 H new ATOM 0 HE2 PHE A 30 12.729 -6.013 -14.898 1.00 22.34 H new ATOM 0 HZ PHE A 30 13.790 -4.431 -13.337 1.00 1.21 H new ATOM 456 N HIS A 31 13.189 -12.320 -11.070 1.00 43.54 N ATOM 457 CA HIS A 31 13.023 -13.768 -11.046 1.00 22.42 C ATOM 458 C HIS A 31 11.596 -14.158 -11.419 1.00 31.15 C ATOM 459 O HIS A 31 10.724 -14.259 -10.556 1.00 63.43 O ATOM 460 CB HIS A 31 13.370 -14.319 -9.662 1.00 71.23 C ATOM 461 CG HIS A 31 14.496 -15.306 -9.676 1.00 22.34 C ATOM 462 ND1 HIS A 31 14.345 -16.615 -10.083 1.00 44.15 N ATOM 463 CD2 HIS A 31 15.798 -15.169 -9.330 1.00 34.34 C ATOM 464 CE1 HIS A 31 15.505 -17.240 -9.986 1.00 71.51 C ATOM 465 NE2 HIS A 31 16.403 -16.385 -9.531 1.00 71.34 N ATOM 0 H HIS A 31 12.362 -11.796 -10.783 1.00 43.54 H new ATOM 0 HA HIS A 31 13.702 -14.199 -11.781 1.00 22.42 H new ATOM 0 HB2 HIS A 31 13.633 -13.490 -9.005 1.00 71.23 H new ATOM 0 HB3 HIS A 31 12.486 -14.795 -9.237 1.00 71.23 H new ATOM 0 HD1 HIS A 31 13.474 -17.035 -10.408 1.00 44.15 H new ATOM 0 HD2 HIS A 31 16.272 -14.270 -8.964 1.00 34.34 H new ATOM 0 HE1 HIS A 31 15.688 -18.275 -10.236 1.00 71.51 H new ATOM 473 N GLY A 32 11.365 -14.375 -12.710 1.00 14.21 N ATOM 474 CA GLY A 32 10.042 -14.750 -13.174 1.00 14.32 C ATOM 475 C GLY A 32 10.089 -15.693 -14.359 1.00 73.41 C ATOM 476 O GLY A 32 11.166 -16.087 -14.807 1.00 31.22 O ATOM 0 H GLY A 32 12.070 -14.298 -13.443 1.00 14.21 H new ATOM 0 HA2 GLY A 32 9.495 -15.223 -12.359 1.00 14.32 H new ATOM 0 HA3 GLY A 32 9.489 -13.852 -13.450 1.00 14.32 H new ATOM 480 N LYS A 33 8.918 -16.059 -14.869 1.00 35.31 N ATOM 481 CA LYS A 33 8.828 -16.963 -16.009 1.00 72.24 C ATOM 482 C LYS A 33 7.857 -16.425 -17.055 1.00 51.24 C ATOM 483 O LYS A 33 7.489 -15.249 -17.029 1.00 62.53 O ATOM 484 CB LYS A 33 8.381 -18.353 -15.551 1.00 32.12 C ATOM 485 CG LYS A 33 8.992 -18.783 -14.228 1.00 70.15 C ATOM 486 CD LYS A 33 7.986 -19.526 -13.365 1.00 4.24 C ATOM 487 CE LYS A 33 7.827 -20.971 -13.812 1.00 54.54 C ATOM 488 NZ LYS A 33 8.820 -21.867 -13.159 1.00 44.23 N ATOM 0 H LYS A 33 8.017 -15.743 -14.510 1.00 35.31 H new ATOM 0 HA LYS A 33 9.817 -17.037 -16.460 1.00 72.24 H new ATOM 0 HB2 LYS A 33 7.295 -18.365 -15.461 1.00 32.12 H new ATOM 0 HB3 LYS A 33 8.645 -19.081 -16.318 1.00 32.12 H new ATOM 0 HG2 LYS A 33 9.855 -19.422 -14.415 1.00 70.15 H new ATOM 0 HG3 LYS A 33 9.355 -17.906 -13.692 1.00 70.15 H new ATOM 0 HD2 LYS A 33 8.308 -19.500 -12.324 1.00 4.24 H new ATOM 0 HD3 LYS A 33 7.021 -19.021 -13.413 1.00 4.24 H new ATOM 0 HE2 LYS A 33 6.819 -21.314 -13.578 1.00 54.54 H new ATOM 0 HE3 LYS A 33 7.941 -21.031 -14.894 1.00 54.54 H new ATOM 0 HZ1 LYS A 33 8.434 -22.831 -13.103 1.00 44.23 H new ATOM 0 HZ2 LYS A 33 9.698 -21.877 -13.717 1.00 44.23 H new ATOM 0 HZ3 LYS A 33 9.023 -21.520 -12.200 1.00 44.23 H new ATOM 502 N LEU A 34 7.444 -17.291 -17.974 1.00 30.11 N ATOM 503 CA LEU A 34 6.514 -16.903 -19.028 1.00 53.35 C ATOM 504 C LEU A 34 5.394 -17.928 -19.172 1.00 31.44 C ATOM 505 O LEU A 34 5.598 -19.120 -18.946 1.00 21.30 O ATOM 506 CB LEU A 34 7.254 -16.750 -20.358 1.00 62.33 C ATOM 507 CG LEU A 34 6.379 -16.537 -21.594 1.00 34.15 C ATOM 508 CD1 LEU A 34 5.916 -15.091 -21.677 1.00 4.40 C ATOM 509 CD2 LEU A 34 7.132 -16.932 -22.856 1.00 15.04 C ATOM 0 H LEU A 34 7.739 -18.267 -18.010 1.00 30.11 H new ATOM 0 HA LEU A 34 6.072 -15.946 -18.753 1.00 53.35 H new ATOM 0 HB2 LEU A 34 7.940 -15.907 -20.274 1.00 62.33 H new ATOM 0 HB3 LEU A 34 7.862 -17.641 -20.517 1.00 62.33 H new ATOM 0 HG LEU A 34 5.499 -17.174 -21.507 1.00 34.15 H new ATOM 0 HD11 LEU A 34 5.295 -14.958 -22.563 1.00 4.40 H new ATOM 0 HD12 LEU A 34 5.337 -14.843 -20.787 1.00 4.40 H new ATOM 0 HD13 LEU A 34 6.784 -14.434 -21.741 1.00 4.40 H new ATOM 0 HD21 LEU A 34 6.494 -16.774 -23.725 1.00 15.04 H new ATOM 0 HD22 LEU A 34 8.030 -16.322 -22.950 1.00 15.04 H new ATOM 0 HD23 LEU A 34 7.412 -17.984 -22.798 1.00 15.04 H new ATOM 521 N ASN A 35 4.211 -17.456 -19.550 1.00 74.02 N ATOM 522 CA ASN A 35 3.058 -18.333 -19.725 1.00 42.54 C ATOM 523 C ASN A 35 2.962 -19.339 -18.583 1.00 33.10 C ATOM 524 O ASN A 35 2.378 -20.411 -18.736 1.00 32.42 O ATOM 525 CB ASN A 35 3.151 -19.070 -21.063 1.00 55.40 C ATOM 526 CG ASN A 35 3.503 -18.143 -22.211 1.00 13.13 C ATOM 527 OD1 ASN A 35 3.928 -18.590 -23.276 1.00 51.10 O ATOM 528 ND2 ASN A 35 3.327 -16.844 -21.997 1.00 71.04 N ATOM 0 H ASN A 35 4.025 -16.472 -19.741 1.00 74.02 H new ATOM 0 HA ASN A 35 2.159 -17.717 -19.719 1.00 42.54 H new ATOM 0 HB2 ASN A 35 3.903 -19.856 -20.990 1.00 55.40 H new ATOM 0 HB3 ASN A 35 2.199 -19.558 -21.273 1.00 55.40 H new ATOM 0 HD21 ASN A 35 3.547 -16.172 -22.732 1.00 71.04 H new ATOM 0 HD22 ASN A 35 2.972 -16.519 -21.098 1.00 71.04 H new ATOM 535 N GLU A 36 3.538 -18.985 -17.439 1.00 3.42 N ATOM 536 CA GLU A 36 3.517 -19.857 -16.271 1.00 21.51 C ATOM 537 C GLU A 36 3.942 -19.099 -15.017 1.00 11.11 C ATOM 538 O GLU A 36 4.824 -18.243 -15.067 1.00 5.14 O ATOM 539 CB GLU A 36 4.437 -21.060 -16.489 1.00 22.42 C ATOM 540 CG GLU A 36 4.393 -22.073 -15.357 1.00 70.52 C ATOM 541 CD GLU A 36 5.287 -23.271 -15.611 1.00 64.33 C ATOM 542 OE1 GLU A 36 6.434 -23.069 -16.062 1.00 64.43 O ATOM 543 OE2 GLU A 36 4.841 -24.410 -15.360 1.00 12.13 O ATOM 0 H GLU A 36 4.025 -18.100 -17.296 1.00 3.42 H new ATOM 0 HA GLU A 36 2.495 -20.210 -16.132 1.00 21.51 H new ATOM 0 HB2 GLU A 36 4.159 -21.555 -17.419 1.00 22.42 H new ATOM 0 HB3 GLU A 36 5.461 -20.707 -16.609 1.00 22.42 H new ATOM 0 HG2 GLU A 36 4.696 -21.588 -14.429 1.00 70.52 H new ATOM 0 HG3 GLU A 36 3.367 -22.413 -15.219 1.00 70.52 H new ATOM 550 N GLU A 37 3.306 -19.420 -13.894 1.00 42.23 N ATOM 551 CA GLU A 37 3.617 -18.768 -12.628 1.00 3.52 C ATOM 552 C GLU A 37 4.416 -19.697 -11.719 1.00 23.21 C ATOM 553 O GLU A 37 4.865 -20.762 -12.143 1.00 0.22 O ATOM 554 CB GLU A 37 2.331 -18.330 -11.924 1.00 72.32 C ATOM 555 CG GLU A 37 1.428 -19.488 -11.533 1.00 15.31 C ATOM 556 CD GLU A 37 0.713 -19.251 -10.217 1.00 2.05 C ATOM 557 OE1 GLU A 37 1.231 -18.467 -9.394 1.00 24.34 O ATOM 558 OE2 GLU A 37 -0.363 -19.849 -10.009 1.00 11.01 O ATOM 0 H GLU A 37 2.573 -20.127 -13.836 1.00 42.23 H new ATOM 0 HA GLU A 37 4.223 -17.888 -12.842 1.00 3.52 H new ATOM 0 HB2 GLU A 37 2.591 -17.764 -11.029 1.00 72.32 H new ATOM 0 HB3 GLU A 37 1.780 -17.655 -12.579 1.00 72.32 H new ATOM 0 HG2 GLU A 37 0.690 -19.650 -12.319 1.00 15.31 H new ATOM 0 HG3 GLU A 37 2.022 -20.399 -11.461 1.00 15.31 H new ATOM 565 N MET A 38 4.590 -19.286 -10.467 1.00 40.32 N ATOM 566 CA MET A 38 5.334 -20.082 -9.498 1.00 2.41 C ATOM 567 C MET A 38 4.635 -20.080 -8.142 1.00 63.01 C ATOM 568 O MET A 38 3.596 -19.444 -7.971 1.00 30.01 O ATOM 569 CB MET A 38 6.759 -19.544 -9.351 1.00 11.20 C ATOM 570 CG MET A 38 6.818 -18.057 -9.041 1.00 43.22 C ATOM 571 SD MET A 38 8.503 -17.467 -8.787 1.00 21.14 S ATOM 572 CE MET A 38 8.534 -16.049 -9.881 1.00 24.33 C ATOM 0 H MET A 38 4.226 -18.407 -10.100 1.00 40.32 H new ATOM 0 HA MET A 38 5.376 -21.108 -9.864 1.00 2.41 H new ATOM 0 HB2 MET A 38 7.266 -20.093 -8.557 1.00 11.20 H new ATOM 0 HB3 MET A 38 7.308 -19.737 -10.273 1.00 11.20 H new ATOM 0 HG2 MET A 38 6.362 -17.501 -9.860 1.00 43.22 H new ATOM 0 HG3 MET A 38 6.227 -17.852 -8.148 1.00 43.22 H new ATOM 0 HE1 MET A 38 9.366 -16.146 -10.579 1.00 24.33 H new ATOM 0 HE2 MET A 38 7.598 -15.998 -10.437 1.00 24.33 H new ATOM 0 HE3 MET A 38 8.657 -15.139 -9.294 1.00 24.33 H new ATOM 648 N GLY A 44 11.011 -17.975 -10.016 1.00 73.10 N ATOM 649 CA GLY A 44 10.566 -18.610 -11.243 1.00 21.22 C ATOM 650 C GLY A 44 11.716 -19.174 -12.054 1.00 2.24 C ATOM 651 O GLY A 44 12.472 -20.017 -11.570 1.00 33.52 O ATOM 0 HA2 GLY A 44 9.868 -19.412 -11.001 1.00 21.22 H new ATOM 0 HA3 GLY A 44 10.021 -17.885 -11.847 1.00 21.22 H new ATOM 655 N HIS A 45 11.849 -18.709 -13.292 1.00 4.43 N ATOM 656 CA HIS A 45 12.916 -19.173 -14.172 1.00 54.12 C ATOM 657 C HIS A 45 14.084 -18.192 -14.175 1.00 52.40 C ATOM 658 O HIS A 45 15.158 -18.489 -13.653 1.00 30.43 O ATOM 659 CB HIS A 45 12.387 -19.358 -15.595 1.00 35.13 C ATOM 660 CG HIS A 45 12.313 -20.791 -16.025 1.00 11.05 C ATOM 661 ND1 HIS A 45 11.513 -21.724 -15.400 1.00 14.03 N ATOM 662 CD2 HIS A 45 12.944 -21.449 -17.025 1.00 5.22 C ATOM 663 CE1 HIS A 45 11.656 -22.894 -15.996 1.00 25.11 C ATOM 664 NE2 HIS A 45 12.520 -22.754 -16.986 1.00 33.02 N ATOM 0 H HIS A 45 11.232 -18.012 -13.708 1.00 4.43 H new ATOM 0 HA HIS A 45 13.272 -20.132 -13.796 1.00 54.12 H new ATOM 0 HB2 HIS A 45 11.394 -18.914 -15.665 1.00 35.13 H new ATOM 0 HB3 HIS A 45 13.029 -18.812 -16.286 1.00 35.13 H new ATOM 0 HD2 HIS A 45 13.650 -21.026 -17.724 1.00 5.22 H new ATOM 0 HE1 HIS A 45 11.153 -23.809 -15.721 1.00 25.11 H new ATOM 0 HE2 HIS A 45 12.823 -23.495 -17.618 1.00 33.02 H new ATOM 672 N TRP A 46 13.866 -17.023 -14.767 1.00 5.34 N ATOM 673 CA TRP A 46 14.902 -15.998 -14.838 1.00 21.11 C ATOM 674 C TRP A 46 15.561 -15.795 -13.478 1.00 41.31 C ATOM 675 O TRP A 46 15.039 -16.233 -12.453 1.00 52.22 O ATOM 676 CB TRP A 46 14.309 -14.678 -15.334 1.00 22.23 C ATOM 677 CG TRP A 46 13.776 -14.755 -16.732 1.00 43.44 C ATOM 678 CD1 TRP A 46 14.458 -15.148 -17.849 1.00 35.34 C ATOM 679 CD2 TRP A 46 12.451 -14.427 -17.164 1.00 11.05 C ATOM 680 NE1 TRP A 46 13.635 -15.085 -18.948 1.00 24.22 N ATOM 681 CE2 TRP A 46 12.399 -14.646 -18.554 1.00 70.41 C ATOM 682 CE3 TRP A 46 11.303 -13.972 -16.510 1.00 55.23 C ATOM 683 CZ2 TRP A 46 11.244 -14.424 -19.300 1.00 24.33 C ATOM 684 CZ3 TRP A 46 10.157 -13.752 -17.252 1.00 5.51 C ATOM 685 CH2 TRP A 46 10.135 -13.979 -18.634 1.00 52.44 C ATOM 0 H TRP A 46 12.982 -16.761 -15.204 1.00 5.34 H new ATOM 0 HA TRP A 46 15.663 -16.334 -15.543 1.00 21.11 H new ATOM 0 HB2 TRP A 46 13.506 -14.374 -14.663 1.00 22.23 H new ATOM 0 HB3 TRP A 46 15.075 -13.903 -15.287 1.00 22.23 H new ATOM 0 HD1 TRP A 46 15.491 -15.462 -17.866 1.00 35.34 H new ATOM 0 HE1 TRP A 46 13.902 -15.326 -19.903 1.00 24.22 H new ATOM 0 HE3 TRP A 46 11.311 -13.795 -15.445 1.00 55.23 H new ATOM 0 HZ2 TRP A 46 11.225 -14.597 -20.366 1.00 24.33 H new ATOM 0 HZ3 TRP A 46 9.264 -13.399 -16.758 1.00 5.51 H new ATOM 0 HH2 TRP A 46 9.224 -13.799 -19.185 1.00 52.44 H new ATOM 696 N SER A 47 16.711 -15.127 -13.476 1.00 73.42 N ATOM 697 CA SER A 47 17.443 -14.869 -12.242 1.00 34.33 C ATOM 698 C SER A 47 18.526 -13.817 -12.462 1.00 35.40 C ATOM 699 O SER A 47 19.456 -14.022 -13.242 1.00 74.21 O ATOM 700 CB SER A 47 18.071 -16.162 -11.716 1.00 55.24 C ATOM 701 OG SER A 47 19.080 -16.632 -12.593 1.00 54.34 O ATOM 0 H SER A 47 17.155 -14.755 -14.315 1.00 73.42 H new ATOM 0 HA SER A 47 16.737 -14.490 -11.503 1.00 34.33 H new ATOM 0 HB2 SER A 47 18.496 -15.988 -10.728 1.00 55.24 H new ATOM 0 HB3 SER A 47 17.300 -16.924 -11.602 1.00 55.24 H new ATOM 0 HG SER A 47 19.466 -15.876 -13.083 1.00 54.34 H new ATOM 707 N ARG A 48 18.397 -12.691 -11.769 1.00 10.13 N ATOM 708 CA ARG A 48 19.363 -11.606 -11.889 1.00 0.43 C ATOM 709 C ARG A 48 19.211 -10.613 -10.740 1.00 0.03 C ATOM 710 O ARG A 48 18.186 -10.589 -10.059 1.00 12.15 O ATOM 711 CB ARG A 48 19.188 -10.884 -13.226 1.00 62.24 C ATOM 712 CG ARG A 48 20.499 -10.435 -13.852 1.00 33.20 C ATOM 713 CD ARG A 48 20.578 -8.920 -13.953 1.00 14.15 C ATOM 714 NE ARG A 48 21.384 -8.488 -15.091 1.00 23.22 N ATOM 715 CZ ARG A 48 22.712 -8.527 -15.107 1.00 40.43 C ATOM 716 NH1 ARG A 48 23.379 -8.975 -14.053 1.00 33.04 N ATOM 717 NH2 ARG A 48 23.376 -8.116 -16.181 1.00 34.34 N ATOM 0 H ARG A 48 17.633 -12.506 -11.119 1.00 10.13 H new ATOM 0 HA ARG A 48 20.363 -12.038 -11.845 1.00 0.43 H new ATOM 0 HB2 ARG A 48 18.671 -11.545 -13.921 1.00 62.24 H new ATOM 0 HB3 ARG A 48 18.549 -10.014 -13.078 1.00 62.24 H new ATOM 0 HG2 ARG A 48 21.333 -10.805 -13.256 1.00 33.20 H new ATOM 0 HG3 ARG A 48 20.598 -10.873 -14.845 1.00 33.20 H new ATOM 0 HD2 ARG A 48 19.572 -8.510 -14.045 1.00 14.15 H new ATOM 0 HD3 ARG A 48 21.004 -8.517 -13.034 1.00 14.15 H new ATOM 0 HE ARG A 48 20.902 -8.137 -15.918 1.00 23.22 H new ATOM 0 HH11 ARG A 48 22.873 -9.291 -13.226 1.00 33.04 H new ATOM 0 HH12 ARG A 48 24.398 -9.003 -14.069 1.00 33.04 H new ATOM 0 HH21 ARG A 48 22.867 -7.770 -16.994 1.00 34.34 H new ATOM 0 HH22 ARG A 48 24.395 -8.146 -16.193 1.00 34.34 H new ATOM 731 N ASP A 49 20.238 -9.797 -10.530 1.00 51.45 N ATOM 732 CA ASP A 49 20.219 -8.802 -9.465 1.00 13.44 C ATOM 733 C ASP A 49 20.833 -7.487 -9.937 1.00 30.51 C ATOM 734 O ASP A 49 22.046 -7.391 -10.126 1.00 11.31 O ATOM 735 CB ASP A 49 20.973 -9.321 -8.240 1.00 5.53 C ATOM 736 CG ASP A 49 20.135 -9.267 -6.978 1.00 21.43 C ATOM 737 OD1 ASP A 49 18.894 -9.203 -7.093 1.00 55.31 O ATOM 738 OD2 ASP A 49 20.721 -9.290 -5.875 1.00 14.34 O ATOM 0 H ASP A 49 21.095 -9.805 -11.084 1.00 51.45 H new ATOM 0 HA ASP A 49 19.180 -8.619 -9.192 1.00 13.44 H new ATOM 0 HB2 ASP A 49 21.288 -10.349 -8.420 1.00 5.53 H new ATOM 0 HB3 ASP A 49 21.878 -8.731 -8.097 1.00 5.53 H new ATOM 743 N ILE A 50 19.988 -6.480 -10.126 1.00 50.33 N ATOM 744 CA ILE A 50 20.448 -5.172 -10.577 1.00 1.05 C ATOM 745 C ILE A 50 20.963 -4.338 -9.408 1.00 60.31 C ATOM 746 O ILE A 50 20.182 -3.805 -8.619 1.00 23.53 O ATOM 747 CB ILE A 50 19.326 -4.396 -11.291 1.00 43.23 C ATOM 748 CG1 ILE A 50 18.611 -5.300 -12.297 1.00 22.50 C ATOM 749 CG2 ILE A 50 19.892 -3.166 -11.986 1.00 24.32 C ATOM 750 CD1 ILE A 50 19.305 -5.380 -13.639 1.00 3.43 C ATOM 0 H ILE A 50 18.981 -6.544 -9.974 1.00 50.33 H new ATOM 0 HA ILE A 50 21.261 -5.349 -11.281 1.00 1.05 H new ATOM 0 HB ILE A 50 18.601 -4.068 -10.546 1.00 43.23 H new ATOM 0 HG12 ILE A 50 18.531 -6.303 -11.878 1.00 22.50 H new ATOM 0 HG13 ILE A 50 17.595 -4.934 -12.444 1.00 22.50 H new ATOM 0 HG21 ILE A 50 19.087 -2.628 -12.486 1.00 24.32 H new ATOM 0 HG22 ILE A 50 20.360 -2.514 -11.248 1.00 24.32 H new ATOM 0 HG23 ILE A 50 20.635 -3.474 -12.722 1.00 24.32 H new ATOM 0 HD11 ILE A 50 18.742 -6.038 -14.301 1.00 3.43 H new ATOM 0 HD12 ILE A 50 19.362 -4.384 -14.079 1.00 3.43 H new ATOM 0 HD13 ILE A 50 20.312 -5.775 -13.505 1.00 3.43 H new ATOM 762 N THR A 51 22.284 -4.227 -9.304 1.00 32.30 N ATOM 763 CA THR A 51 22.904 -3.458 -8.233 1.00 0.21 C ATOM 764 C THR A 51 23.148 -2.016 -8.662 1.00 51.40 C ATOM 765 O THR A 51 24.067 -1.358 -8.173 1.00 33.01 O ATOM 766 CB THR A 51 24.241 -4.084 -7.793 1.00 40.31 C ATOM 767 OG1 THR A 51 25.162 -4.093 -8.890 1.00 33.13 O ATOM 768 CG2 THR A 51 24.033 -5.503 -7.286 1.00 45.04 C ATOM 0 H THR A 51 22.945 -4.660 -9.949 1.00 32.30 H new ATOM 0 HA THR A 51 22.211 -3.472 -7.392 1.00 0.21 H new ATOM 0 HB THR A 51 24.650 -3.482 -6.981 1.00 40.31 H new ATOM 0 HG1 THR A 51 26.010 -4.491 -8.602 1.00 33.13 H new ATOM 0 HG21 THR A 51 24.991 -5.924 -6.981 1.00 45.04 H new ATOM 0 HG22 THR A 51 23.355 -5.489 -6.433 1.00 45.04 H new ATOM 0 HG23 THR A 51 23.604 -6.114 -8.080 1.00 45.04 H new ATOM 776 N LYS A 52 22.319 -1.528 -9.579 1.00 1.11 N ATOM 777 CA LYS A 52 22.443 -0.162 -10.073 1.00 53.24 C ATOM 778 C LYS A 52 21.551 0.059 -11.291 1.00 61.33 C ATOM 779 O LYS A 52 21.416 -0.807 -12.157 1.00 2.53 O ATOM 780 CB LYS A 52 23.899 0.143 -10.432 1.00 72.34 C ATOM 781 CG LYS A 52 24.576 1.100 -9.467 1.00 53.41 C ATOM 782 CD LYS A 52 26.085 0.923 -9.472 1.00 52.32 C ATOM 783 CE LYS A 52 26.803 2.257 -9.331 1.00 31.45 C ATOM 784 NZ LYS A 52 27.814 2.459 -10.405 1.00 25.34 N ATOM 0 H LYS A 52 21.554 -2.059 -9.995 1.00 1.11 H new ATOM 0 HA LYS A 52 22.121 0.514 -9.281 1.00 53.24 H new ATOM 0 HB2 LYS A 52 24.461 -0.791 -10.459 1.00 72.34 H new ATOM 0 HB3 LYS A 52 23.936 0.566 -11.436 1.00 72.34 H new ATOM 0 HG2 LYS A 52 24.328 2.126 -9.737 1.00 53.41 H new ATOM 0 HG3 LYS A 52 24.193 0.934 -8.460 1.00 53.41 H new ATOM 0 HD2 LYS A 52 26.378 0.263 -8.655 1.00 52.32 H new ATOM 0 HD3 LYS A 52 26.393 0.439 -10.399 1.00 52.32 H new ATOM 0 HE2 LYS A 52 26.074 3.067 -9.362 1.00 31.45 H new ATOM 0 HE3 LYS A 52 27.292 2.305 -8.358 1.00 31.45 H new ATOM 0 HZ1 LYS A 52 28.281 3.379 -10.274 1.00 25.34 H new ATOM 0 HZ2 LYS A 52 28.524 1.701 -10.360 1.00 25.34 H new ATOM 0 HZ3 LYS A 52 27.344 2.439 -11.332 1.00 25.34 H new ATOM 798 N PRO A 53 20.928 1.244 -11.363 1.00 1.42 N ATOM 799 CA PRO A 53 20.040 1.607 -12.472 1.00 24.43 C ATOM 800 C PRO A 53 20.800 1.816 -13.777 1.00 53.34 C ATOM 801 O PRO A 53 22.026 1.712 -13.819 1.00 32.25 O ATOM 802 CB PRO A 53 19.407 2.920 -12.005 1.00 30.53 C ATOM 803 CG PRO A 53 20.392 3.496 -11.047 1.00 31.41 C ATOM 804 CD PRO A 53 21.043 2.323 -10.367 1.00 11.01 C ATOM 0 HA PRO A 53 19.315 0.822 -12.688 1.00 24.43 H new ATOM 0 HB2 PRO A 53 19.229 3.594 -12.843 1.00 30.53 H new ATOM 0 HB3 PRO A 53 18.444 2.747 -11.526 1.00 30.53 H new ATOM 0 HG2 PRO A 53 21.131 4.105 -11.567 1.00 31.41 H new ATOM 0 HG3 PRO A 53 19.899 4.143 -10.322 1.00 31.41 H new ATOM 0 HD2 PRO A 53 22.084 2.530 -10.117 1.00 11.01 H new ATOM 0 HD3 PRO A 53 20.537 2.066 -9.436 1.00 11.01 H new ATOM 812 N LYS A 54 20.064 2.113 -14.843 1.00 51.21 N ATOM 813 CA LYS A 54 20.667 2.340 -16.151 1.00 63.20 C ATOM 814 C LYS A 54 20.572 3.810 -16.547 1.00 24.22 C ATOM 815 O LYS A 54 21.581 4.449 -16.843 1.00 70.43 O ATOM 816 CB LYS A 54 19.983 1.471 -17.209 1.00 31.24 C ATOM 817 CG LYS A 54 20.790 1.319 -18.486 1.00 62.13 C ATOM 818 CD LYS A 54 19.890 1.122 -19.695 1.00 0.44 C ATOM 819 CE LYS A 54 19.708 -0.352 -20.020 1.00 71.20 C ATOM 820 NZ LYS A 54 18.968 -0.551 -21.297 1.00 34.12 N ATOM 0 H LYS A 54 19.048 2.202 -14.826 1.00 51.21 H new ATOM 0 HA LYS A 54 21.720 2.066 -16.090 1.00 63.20 H new ATOM 0 HB2 LYS A 54 19.794 0.483 -16.789 1.00 31.24 H new ATOM 0 HB3 LYS A 54 19.013 1.905 -17.452 1.00 31.24 H new ATOM 0 HG2 LYS A 54 21.410 2.203 -18.633 1.00 62.13 H new ATOM 0 HG3 LYS A 54 21.465 0.469 -18.392 1.00 62.13 H new ATOM 0 HD2 LYS A 54 18.918 1.576 -19.504 1.00 0.44 H new ATOM 0 HD3 LYS A 54 20.318 1.635 -20.556 1.00 0.44 H new ATOM 0 HE2 LYS A 54 20.684 -0.832 -20.087 1.00 71.20 H new ATOM 0 HE3 LYS A 54 19.168 -0.839 -19.208 1.00 71.20 H new ATOM 0 HZ1 LYS A 54 18.672 -1.545 -21.375 1.00 34.12 H new ATOM 0 HZ2 LYS A 54 18.128 0.063 -21.311 1.00 34.12 H new ATOM 0 HZ3 LYS A 54 19.586 -0.310 -22.098 1.00 34.12 H new ATOM 834 N ASN A 55 19.354 4.340 -16.548 1.00 13.35 N ATOM 835 CA ASN A 55 19.128 5.736 -16.906 1.00 32.21 C ATOM 836 C ASN A 55 17.959 6.318 -16.117 1.00 73.30 C ATOM 837 O ASN A 55 16.865 6.497 -16.650 1.00 54.21 O ATOM 838 CB ASN A 55 18.858 5.861 -18.407 1.00 13.43 C ATOM 839 CG ASN A 55 19.937 6.649 -19.124 1.00 53.23 C ATOM 840 OD1 ASN A 55 21.116 6.300 -19.070 1.00 71.32 O ATOM 841 ND2 ASN A 55 19.536 7.719 -19.801 1.00 44.14 N ATOM 0 H ASN A 55 18.508 3.825 -16.305 1.00 13.35 H new ATOM 0 HA ASN A 55 20.027 6.300 -16.657 1.00 32.21 H new ATOM 0 HB2 ASN A 55 18.787 4.865 -18.845 1.00 13.43 H new ATOM 0 HB3 ASN A 55 17.894 6.346 -18.561 1.00 13.43 H new ATOM 0 HD21 ASN A 55 20.216 8.289 -20.304 1.00 44.14 H new ATOM 0 HD22 ASN A 55 18.548 7.971 -19.818 1.00 44.14 H new ATOM 848 N GLY A 56 18.199 6.611 -14.843 1.00 2.14 N ATOM 849 CA GLY A 56 17.158 7.170 -14.001 1.00 34.03 C ATOM 850 C GLY A 56 16.237 6.107 -13.435 1.00 53.11 C ATOM 851 O GLY A 56 15.578 6.325 -12.418 1.00 74.43 O ATOM 0 H GLY A 56 19.096 6.471 -14.379 1.00 2.14 H new ATOM 0 HA2 GLY A 56 17.616 7.723 -13.181 1.00 34.03 H new ATOM 0 HA3 GLY A 56 16.572 7.884 -14.579 1.00 34.03 H new ATOM 855 N ARG A 57 16.189 4.955 -14.096 1.00 24.13 N ATOM 856 CA ARG A 57 15.340 3.855 -13.654 1.00 51.41 C ATOM 857 C ARG A 57 16.072 2.522 -13.770 1.00 65.11 C ATOM 858 O ARG A 57 17.168 2.451 -14.326 1.00 44.03 O ATOM 859 CB ARG A 57 14.052 3.815 -14.478 1.00 52.23 C ATOM 860 CG ARG A 57 14.177 4.486 -15.837 1.00 34.15 C ATOM 861 CD ARG A 57 12.813 4.816 -16.422 1.00 54.12 C ATOM 862 NE ARG A 57 11.835 3.763 -16.160 1.00 51.40 N ATOM 863 CZ ARG A 57 10.581 3.799 -16.597 1.00 41.41 C ATOM 864 NH1 ARG A 57 10.155 4.830 -17.314 1.00 71.13 N ATOM 865 NH2 ARG A 57 9.751 2.803 -16.317 1.00 73.14 N ATOM 0 H ARG A 57 16.728 4.759 -14.940 1.00 24.13 H new ATOM 0 HA ARG A 57 15.089 4.021 -12.606 1.00 51.41 H new ATOM 0 HB2 ARG A 57 13.754 2.776 -14.621 1.00 52.23 H new ATOM 0 HB3 ARG A 57 13.255 4.300 -13.915 1.00 52.23 H new ATOM 0 HG2 ARG A 57 14.764 5.400 -15.740 1.00 34.15 H new ATOM 0 HG3 ARG A 57 14.718 3.830 -16.519 1.00 34.15 H new ATOM 0 HD2 ARG A 57 12.456 5.756 -16.000 1.00 54.12 H new ATOM 0 HD3 ARG A 57 12.906 4.964 -17.498 1.00 54.12 H new ATOM 0 HE ARG A 57 12.131 2.956 -15.611 1.00 51.40 H new ATOM 0 HH11 ARG A 57 10.791 5.598 -17.531 1.00 71.13 H new ATOM 0 HH12 ARG A 57 9.192 4.855 -17.648 1.00 71.13 H new ATOM 0 HH21 ARG A 57 10.075 2.009 -15.766 1.00 73.14 H new ATOM 0 HH22 ARG A 57 8.788 2.832 -16.653 1.00 73.14 H new ATOM 879 N TRP A 58 15.460 1.469 -13.241 1.00 61.23 N ATOM 880 CA TRP A 58 16.055 0.138 -13.285 1.00 74.41 C ATOM 881 C TRP A 58 15.560 -0.640 -14.500 1.00 13.13 C ATOM 882 O TRP A 58 14.471 -1.214 -14.478 1.00 72.54 O ATOM 883 CB TRP A 58 15.728 -0.632 -12.004 1.00 0.40 C ATOM 884 CG TRP A 58 16.019 0.144 -10.755 1.00 21.01 C ATOM 885 CD1 TRP A 58 15.311 1.204 -10.264 1.00 74.54 C ATOM 886 CD2 TRP A 58 17.097 -0.078 -9.840 1.00 24.42 C ATOM 887 NE1 TRP A 58 15.884 1.653 -9.099 1.00 52.23 N ATOM 888 CE2 TRP A 58 16.981 0.883 -8.817 1.00 33.01 C ATOM 889 CE3 TRP A 58 18.149 -0.997 -9.784 1.00 31.23 C ATOM 890 CZ2 TRP A 58 17.877 0.950 -7.753 1.00 53.33 C ATOM 891 CZ3 TRP A 58 19.037 -0.929 -8.728 1.00 5.24 C ATOM 892 CH2 TRP A 58 18.897 0.039 -7.724 1.00 33.43 C ATOM 0 H TRP A 58 14.553 1.511 -12.777 1.00 61.23 H new ATOM 0 HA TRP A 58 17.136 0.253 -13.366 1.00 74.41 H new ATOM 0 HB2 TRP A 58 14.674 -0.909 -12.014 1.00 0.40 H new ATOM 0 HB3 TRP A 58 16.301 -1.559 -11.989 1.00 0.40 H new ATOM 0 HD1 TRP A 58 14.430 1.627 -10.724 1.00 74.54 H new ATOM 0 HE1 TRP A 58 15.547 2.433 -8.535 1.00 52.23 H new ATOM 0 HE3 TRP A 58 18.265 -1.747 -10.553 1.00 31.23 H new ATOM 0 HZ2 TRP A 58 17.770 1.695 -6.978 1.00 53.33 H new ATOM 0 HZ3 TRP A 58 19.853 -1.634 -8.675 1.00 5.24 H new ATOM 0 HH2 TRP A 58 19.608 0.066 -6.912 1.00 33.43 H new ATOM 903 N ILE A 59 16.365 -0.654 -15.556 1.00 43.02 N ATOM 904 CA ILE A 59 16.008 -1.363 -16.779 1.00 3.41 C ATOM 905 C ILE A 59 16.707 -2.716 -16.854 1.00 43.20 C ATOM 906 O ILE A 59 17.803 -2.891 -16.320 1.00 34.52 O ATOM 907 CB ILE A 59 16.368 -0.541 -18.031 1.00 63.41 C ATOM 908 CG1 ILE A 59 15.826 0.884 -17.906 1.00 73.24 C ATOM 909 CG2 ILE A 59 15.822 -1.215 -19.281 1.00 53.42 C ATOM 910 CD1 ILE A 59 16.442 1.853 -18.890 1.00 42.32 C ATOM 0 H ILE A 59 17.269 -0.183 -15.590 1.00 43.02 H new ATOM 0 HA ILE A 59 14.929 -1.516 -16.752 1.00 3.41 H new ATOM 0 HB ILE A 59 17.454 -0.489 -18.115 1.00 63.41 H new ATOM 0 HG12 ILE A 59 14.746 0.867 -18.052 1.00 73.24 H new ATOM 0 HG13 ILE A 59 16.005 1.245 -16.893 1.00 73.24 H new ATOM 0 HG21 ILE A 59 16.084 -0.623 -20.158 1.00 53.42 H new ATOM 0 HG22 ILE A 59 16.253 -2.212 -19.374 1.00 53.42 H new ATOM 0 HG23 ILE A 59 14.737 -1.294 -19.208 1.00 53.42 H new ATOM 0 HD11 ILE A 59 16.011 2.843 -18.744 1.00 42.32 H new ATOM 0 HD12 ILE A 59 17.519 1.899 -18.730 1.00 42.32 H new ATOM 0 HD13 ILE A 59 16.241 1.516 -19.907 1.00 42.32 H new ATOM 922 N PHE A 60 16.068 -3.670 -17.522 1.00 55.23 N ATOM 923 CA PHE A 60 16.628 -5.008 -17.669 1.00 30.13 C ATOM 924 C PHE A 60 16.252 -5.611 -19.019 1.00 55.41 C ATOM 925 O PHE A 60 15.175 -5.341 -19.553 1.00 21.45 O ATOM 926 CB PHE A 60 16.138 -5.916 -16.538 1.00 43.43 C ATOM 927 CG PHE A 60 16.365 -7.377 -16.802 1.00 1.23 C ATOM 928 CD1 PHE A 60 17.633 -7.925 -16.694 1.00 32.24 C ATOM 929 CD2 PHE A 60 15.310 -8.202 -17.158 1.00 44.20 C ATOM 930 CE1 PHE A 60 17.845 -9.270 -16.935 1.00 11.40 C ATOM 931 CE2 PHE A 60 15.516 -9.547 -17.400 1.00 44.22 C ATOM 932 CZ PHE A 60 16.785 -10.081 -17.290 1.00 23.13 C ATOM 0 H PHE A 60 15.161 -3.541 -17.971 1.00 55.23 H new ATOM 0 HA PHE A 60 17.714 -4.927 -17.617 1.00 30.13 H new ATOM 0 HB2 PHE A 60 16.646 -5.639 -15.614 1.00 43.43 H new ATOM 0 HB3 PHE A 60 15.073 -5.744 -16.380 1.00 43.43 H new ATOM 0 HD1 PHE A 60 18.465 -7.294 -16.418 1.00 32.24 H new ATOM 0 HD2 PHE A 60 14.316 -7.789 -17.247 1.00 44.20 H new ATOM 0 HE1 PHE A 60 18.838 -9.686 -16.846 1.00 11.40 H new ATOM 0 HE2 PHE A 60 14.685 -10.180 -17.675 1.00 44.22 H new ATOM 0 HZ PHE A 60 16.948 -11.131 -17.481 1.00 23.13 H new ATOM 942 N ARG A 61 17.146 -6.427 -19.566 1.00 44.33 N ATOM 943 CA ARG A 61 16.910 -7.066 -20.855 1.00 31.31 C ATOM 944 C ARG A 61 17.388 -8.515 -20.839 1.00 21.24 C ATOM 945 O ARG A 61 18.532 -8.798 -20.481 1.00 53.01 O ATOM 946 CB ARG A 61 17.621 -6.296 -21.969 1.00 0.21 C ATOM 947 CG ARG A 61 17.611 -4.789 -21.770 1.00 20.05 C ATOM 948 CD ARG A 61 18.951 -4.286 -21.255 1.00 32.30 C ATOM 949 NE ARG A 61 19.743 -3.660 -22.311 1.00 35.34 N ATOM 950 CZ ARG A 61 20.958 -3.159 -22.119 1.00 33.32 C ATOM 951 NH1 ARG A 61 21.518 -3.211 -20.918 1.00 71.12 N ATOM 952 NH2 ARG A 61 21.615 -2.605 -23.129 1.00 64.54 N ATOM 0 H ARG A 61 18.041 -6.662 -19.137 1.00 44.33 H new ATOM 0 HA ARG A 61 15.837 -7.057 -21.045 1.00 31.31 H new ATOM 0 HB2 ARG A 61 18.654 -6.639 -22.034 1.00 0.21 H new ATOM 0 HB3 ARG A 61 17.147 -6.531 -22.922 1.00 0.21 H new ATOM 0 HG2 ARG A 61 17.375 -4.298 -22.714 1.00 20.05 H new ATOM 0 HG3 ARG A 61 16.825 -4.519 -21.065 1.00 20.05 H new ATOM 0 HD2 ARG A 61 18.784 -3.567 -20.452 1.00 32.30 H new ATOM 0 HD3 ARG A 61 19.510 -5.118 -20.827 1.00 32.30 H new ATOM 0 HE ARG A 61 19.341 -3.605 -23.247 1.00 35.34 H new ATOM 0 HH11 ARG A 61 21.016 -3.637 -20.139 1.00 71.12 H new ATOM 0 HH12 ARG A 61 22.451 -2.826 -20.773 1.00 71.12 H new ATOM 0 HH21 ARG A 61 21.187 -2.563 -24.054 1.00 64.54 H new ATOM 0 HH22 ARG A 61 22.548 -2.220 -22.981 1.00 64.54 H new ATOM 966 N ASP A 62 16.505 -9.428 -21.227 1.00 61.43 N ATOM 967 CA ASP A 62 16.837 -10.848 -21.258 1.00 73.21 C ATOM 968 C ASP A 62 17.211 -11.288 -22.670 1.00 31.40 C ATOM 969 O ASP A 62 17.215 -10.483 -23.601 1.00 64.01 O ATOM 970 CB ASP A 62 15.660 -11.680 -20.746 1.00 54.13 C ATOM 971 CG ASP A 62 16.097 -13.020 -20.188 1.00 11.33 C ATOM 972 OD1 ASP A 62 16.602 -13.050 -19.046 1.00 53.21 O ATOM 973 OD2 ASP A 62 15.935 -14.038 -20.892 1.00 61.24 O ATOM 0 H ASP A 62 15.554 -9.211 -21.524 1.00 61.43 H new ATOM 0 HA ASP A 62 17.696 -11.009 -20.607 1.00 73.21 H new ATOM 0 HB2 ASP A 62 15.134 -11.122 -19.972 1.00 54.13 H new ATOM 0 HB3 ASP A 62 14.952 -11.842 -21.559 1.00 54.13 H new ATOM 978 N ARG A 63 17.525 -12.571 -22.821 1.00 1.13 N ATOM 979 CA ARG A 63 17.903 -13.117 -24.118 1.00 70.54 C ATOM 980 C ARG A 63 17.410 -14.554 -24.268 1.00 2.13 C ATOM 981 O ARG A 63 17.866 -15.289 -25.142 1.00 51.15 O ATOM 982 CB ARG A 63 19.422 -13.067 -24.294 1.00 72.21 C ATOM 983 CG ARG A 63 19.877 -12.116 -25.389 1.00 61.40 C ATOM 984 CD ARG A 63 21.071 -12.673 -26.149 1.00 51.21 C ATOM 985 NE ARG A 63 22.124 -11.675 -26.320 1.00 60.52 N ATOM 986 CZ ARG A 63 23.239 -11.895 -27.008 1.00 3.14 C ATOM 987 NH1 ARG A 63 23.445 -13.070 -27.585 1.00 64.35 N ATOM 988 NH2 ARG A 63 24.151 -10.937 -27.118 1.00 61.34 N ATOM 0 H ARG A 63 17.525 -13.251 -22.061 1.00 1.13 H new ATOM 0 HA ARG A 63 17.434 -12.507 -24.891 1.00 70.54 H new ATOM 0 HB2 ARG A 63 19.879 -12.767 -23.351 1.00 72.21 H new ATOM 0 HB3 ARG A 63 19.786 -14.069 -24.520 1.00 72.21 H new ATOM 0 HG2 ARG A 63 19.055 -11.937 -26.082 1.00 61.40 H new ATOM 0 HG3 ARG A 63 20.140 -11.153 -24.950 1.00 61.40 H new ATOM 0 HD2 ARG A 63 21.471 -13.535 -25.615 1.00 51.21 H new ATOM 0 HD3 ARG A 63 20.745 -13.028 -27.127 1.00 51.21 H new ATOM 0 HE ARG A 63 21.996 -10.760 -25.888 1.00 60.52 H new ATOM 0 HH11 ARG A 63 22.746 -13.809 -27.502 1.00 64.35 H new ATOM 0 HH12 ARG A 63 24.302 -13.236 -28.113 1.00 64.35 H new ATOM 0 HH21 ARG A 63 23.996 -10.032 -26.674 1.00 61.34 H new ATOM 0 HH22 ARG A 63 25.007 -11.106 -27.646 1.00 61.34 H new ATOM 1002 N ASN A 64 16.477 -14.946 -23.407 1.00 32.33 N ATOM 1003 CA ASN A 64 15.923 -16.295 -23.442 1.00 51.00 C ATOM 1004 C ASN A 64 14.401 -16.260 -23.348 1.00 75.43 C ATOM 1005 O ASN A 64 13.752 -17.300 -23.235 1.00 52.11 O ATOM 1006 CB ASN A 64 16.497 -17.134 -22.299 1.00 34.53 C ATOM 1007 CG ASN A 64 17.959 -16.831 -22.036 1.00 11.44 C ATOM 1008 OD1 ASN A 64 18.847 -17.417 -22.654 1.00 42.23 O ATOM 1009 ND2 ASN A 64 18.215 -15.910 -21.113 1.00 60.23 N ATOM 0 H ASN A 64 16.089 -14.349 -22.677 1.00 32.33 H new ATOM 0 HA ASN A 64 16.200 -16.751 -24.393 1.00 51.00 H new ATOM 0 HB2 ASN A 64 15.922 -16.949 -21.392 1.00 34.53 H new ATOM 0 HB3 ASN A 64 16.385 -18.192 -22.537 1.00 34.53 H new ATOM 0 HD21 ASN A 64 19.180 -15.664 -20.892 1.00 60.23 H new ATOM 0 HD22 ASN A 64 17.447 -15.449 -20.625 1.00 60.23 H new ATOM 1016 N ALA A 65 13.837 -15.058 -23.397 1.00 3.42 N ATOM 1017 CA ALA A 65 12.392 -14.887 -23.320 1.00 73.42 C ATOM 1018 C ALA A 65 11.774 -14.806 -24.712 1.00 30.11 C ATOM 1019 O ALA A 65 11.860 -13.777 -25.380 1.00 43.54 O ATOM 1020 CB ALA A 65 12.049 -13.643 -22.515 1.00 11.21 C ATOM 0 H ALA A 65 14.360 -14.187 -23.490 1.00 3.42 H new ATOM 0 HA ALA A 65 11.975 -15.758 -22.816 1.00 73.42 H new ATOM 0 HB1 ALA A 65 10.966 -13.528 -22.466 1.00 11.21 H new ATOM 0 HB2 ALA A 65 12.449 -13.741 -21.506 1.00 11.21 H new ATOM 0 HB3 ALA A 65 12.485 -12.767 -22.995 1.00 11.21 H new ATOM 1026 N ALA A 66 11.151 -15.898 -25.143 1.00 24.43 N ATOM 1027 CA ALA A 66 10.518 -15.950 -26.455 1.00 2.44 C ATOM 1028 C ALA A 66 9.017 -15.706 -26.349 1.00 75.12 C ATOM 1029 O ALA A 66 8.225 -16.649 -26.315 1.00 61.41 O ATOM 1030 CB ALA A 66 10.792 -17.290 -27.121 1.00 1.32 C ATOM 0 H ALA A 66 11.071 -16.759 -24.602 1.00 24.43 H new ATOM 0 HA ALA A 66 10.946 -15.158 -27.070 1.00 2.44 H new ATOM 0 HB1 ALA A 66 10.313 -17.314 -28.100 1.00 1.32 H new ATOM 0 HB2 ALA A 66 11.867 -17.424 -27.239 1.00 1.32 H new ATOM 0 HB3 ALA A 66 10.392 -18.093 -26.501 1.00 1.32 H new ATOM 1036 N LEU A 67 8.630 -14.436 -26.297 1.00 61.23 N ATOM 1037 CA LEU A 67 7.222 -14.068 -26.195 1.00 21.50 C ATOM 1038 C LEU A 67 6.809 -13.168 -27.355 1.00 11.13 C ATOM 1039 O LEU A 67 7.648 -12.715 -28.133 1.00 43.02 O ATOM 1040 CB LEU A 67 6.955 -13.362 -24.865 1.00 54.40 C ATOM 1041 CG LEU A 67 7.403 -11.902 -24.779 1.00 33.24 C ATOM 1042 CD1 LEU A 67 6.397 -11.081 -23.986 1.00 62.23 C ATOM 1043 CD2 LEU A 67 8.786 -11.805 -24.151 1.00 73.22 C ATOM 0 H LEU A 67 9.272 -13.644 -26.324 1.00 61.23 H new ATOM 0 HA LEU A 67 6.628 -14.981 -26.240 1.00 21.50 H new ATOM 0 HB2 LEU A 67 5.885 -13.406 -24.662 1.00 54.40 H new ATOM 0 HB3 LEU A 67 7.453 -13.921 -24.073 1.00 54.40 H new ATOM 0 HG LEU A 67 7.455 -11.498 -25.790 1.00 33.24 H new ATOM 0 HD11 LEU A 67 6.732 -10.045 -23.935 1.00 62.23 H new ATOM 0 HD12 LEU A 67 5.425 -11.124 -24.477 1.00 62.23 H new ATOM 0 HD13 LEU A 67 6.312 -11.485 -22.977 1.00 62.23 H new ATOM 0 HD21 LEU A 67 9.089 -10.759 -24.098 1.00 73.22 H new ATOM 0 HD22 LEU A 67 8.760 -12.227 -23.146 1.00 73.22 H new ATOM 0 HD23 LEU A 67 9.501 -12.359 -24.759 1.00 73.22 H new ATOM 1055 N LYS A 68 5.510 -12.910 -27.463 1.00 71.20 N ATOM 1056 CA LYS A 68 4.984 -12.061 -28.525 1.00 11.20 C ATOM 1057 C LYS A 68 3.618 -11.498 -28.145 1.00 41.31 C ATOM 1058 O LYS A 68 2.799 -12.188 -27.537 1.00 44.20 O ATOM 1059 CB LYS A 68 4.876 -12.850 -29.832 1.00 25.24 C ATOM 1060 CG LYS A 68 3.956 -14.055 -29.740 1.00 63.23 C ATOM 1061 CD LYS A 68 4.734 -15.331 -29.465 1.00 62.23 C ATOM 1062 CE LYS A 68 4.632 -16.308 -30.627 1.00 14.21 C ATOM 1063 NZ LYS A 68 5.829 -16.246 -31.511 1.00 35.13 N ATOM 0 H LYS A 68 4.802 -13.277 -26.827 1.00 71.20 H new ATOM 0 HA LYS A 68 5.674 -11.229 -28.666 1.00 11.20 H new ATOM 0 HB2 LYS A 68 4.515 -12.187 -30.618 1.00 25.24 H new ATOM 0 HB3 LYS A 68 5.870 -13.184 -30.128 1.00 25.24 H new ATOM 0 HG2 LYS A 68 3.225 -13.896 -28.948 1.00 63.23 H new ATOM 0 HG3 LYS A 68 3.399 -14.161 -30.671 1.00 63.23 H new ATOM 0 HD2 LYS A 68 5.781 -15.088 -29.283 1.00 62.23 H new ATOM 0 HD3 LYS A 68 4.354 -15.802 -28.558 1.00 62.23 H new ATOM 0 HE2 LYS A 68 4.518 -17.321 -30.241 1.00 14.21 H new ATOM 0 HE3 LYS A 68 3.738 -16.087 -31.210 1.00 14.21 H new ATOM 0 HZ1 LYS A 68 5.721 -16.926 -32.290 1.00 35.13 H new ATOM 0 HZ2 LYS A 68 5.924 -15.286 -31.900 1.00 35.13 H new ATOM 0 HZ3 LYS A 68 6.679 -16.482 -30.961 1.00 35.13 H new ATOM 1077 N ILE A 69 3.379 -10.242 -28.509 1.00 30.35 N ATOM 1078 CA ILE A 69 2.111 -9.589 -28.208 1.00 3.23 C ATOM 1079 C ILE A 69 0.987 -10.609 -28.064 1.00 62.14 C ATOM 1080 O ILE A 69 0.661 -11.326 -29.009 1.00 61.15 O ATOM 1081 CB ILE A 69 1.730 -8.571 -29.299 1.00 34.11 C ATOM 1082 CG1 ILE A 69 2.666 -7.362 -29.249 1.00 62.25 C ATOM 1083 CG2 ILE A 69 0.282 -8.134 -29.132 1.00 40.22 C ATOM 1084 CD1 ILE A 69 2.257 -6.322 -28.231 1.00 15.32 C ATOM 0 H ILE A 69 4.046 -9.657 -29.012 1.00 30.35 H new ATOM 0 HA ILE A 69 2.243 -9.063 -27.262 1.00 3.23 H new ATOM 0 HB ILE A 69 1.836 -9.048 -30.273 1.00 34.11 H new ATOM 0 HG12 ILE A 69 3.676 -7.704 -29.021 1.00 62.25 H new ATOM 0 HG13 ILE A 69 2.701 -6.899 -30.235 1.00 62.25 H new ATOM 0 HG21 ILE A 69 0.027 -7.415 -29.910 1.00 40.22 H new ATOM 0 HG22 ILE A 69 -0.372 -9.002 -29.212 1.00 40.22 H new ATOM 0 HG23 ILE A 69 0.152 -7.672 -28.154 1.00 40.22 H new ATOM 0 HD11 ILE A 69 2.966 -5.494 -28.251 1.00 15.32 H new ATOM 0 HD12 ILE A 69 1.260 -5.952 -28.470 1.00 15.32 H new ATOM 0 HD13 ILE A 69 2.250 -6.769 -27.237 1.00 15.32 H new ATOM 1096 N GLY A 70 0.396 -10.668 -26.875 1.00 2.43 N ATOM 1097 CA GLY A 70 -0.687 -11.602 -26.629 1.00 63.04 C ATOM 1098 C GLY A 70 -0.362 -12.590 -25.526 1.00 43.53 C ATOM 1099 O GLY A 70 -1.255 -13.235 -24.979 1.00 35.42 O ATOM 0 H GLY A 70 0.648 -10.085 -26.077 1.00 2.43 H new ATOM 0 HA2 GLY A 70 -1.587 -11.048 -26.362 1.00 63.04 H new ATOM 0 HA3 GLY A 70 -0.908 -12.147 -27.547 1.00 63.04 H new ATOM 1103 N ASP A 71 0.921 -12.709 -25.200 1.00 55.31 N ATOM 1104 CA ASP A 71 1.362 -13.625 -24.155 1.00 73.43 C ATOM 1105 C ASP A 71 1.028 -13.074 -22.772 1.00 62.35 C ATOM 1106 O ASP A 71 0.274 -12.110 -22.642 1.00 34.44 O ATOM 1107 CB ASP A 71 2.866 -13.876 -24.269 1.00 3.11 C ATOM 1108 CG ASP A 71 3.185 -15.283 -24.734 1.00 24.21 C ATOM 1109 OD1 ASP A 71 2.365 -16.191 -24.483 1.00 43.32 O ATOM 1110 OD2 ASP A 71 4.256 -15.477 -25.348 1.00 32.23 O ATOM 0 H ASP A 71 1.673 -12.183 -25.644 1.00 55.31 H new ATOM 0 HA ASP A 71 0.833 -14.569 -24.287 1.00 73.43 H new ATOM 0 HB2 ASP A 71 3.299 -13.159 -24.967 1.00 3.11 H new ATOM 0 HB3 ASP A 71 3.335 -13.702 -23.301 1.00 3.11 H new ATOM 1115 N LYS A 72 1.595 -13.693 -21.742 1.00 72.22 N ATOM 1116 CA LYS A 72 1.359 -13.266 -20.368 1.00 52.23 C ATOM 1117 C LYS A 72 2.555 -13.597 -19.482 1.00 63.22 C ATOM 1118 O LYS A 72 3.428 -14.376 -19.867 1.00 74.34 O ATOM 1119 CB LYS A 72 0.099 -13.935 -19.814 1.00 1.34 C ATOM 1120 CG LYS A 72 -1.116 -13.023 -19.794 1.00 44.03 C ATOM 1121 CD LYS A 72 -2.382 -13.788 -19.446 1.00 45.14 C ATOM 1122 CE LYS A 72 -3.600 -13.191 -20.134 1.00 60.43 C ATOM 1123 NZ LYS A 72 -4.746 -14.142 -20.154 1.00 52.25 N ATOM 0 H LYS A 72 2.222 -14.493 -21.833 1.00 72.22 H new ATOM 0 HA LYS A 72 1.219 -12.185 -20.369 1.00 52.23 H new ATOM 0 HB2 LYS A 72 -0.128 -14.816 -20.414 1.00 1.34 H new ATOM 0 HB3 LYS A 72 0.298 -14.283 -18.800 1.00 1.34 H new ATOM 0 HG2 LYS A 72 -0.961 -12.225 -19.068 1.00 44.03 H new ATOM 0 HG3 LYS A 72 -1.232 -12.549 -20.769 1.00 44.03 H new ATOM 0 HD2 LYS A 72 -2.271 -14.831 -19.741 1.00 45.14 H new ATOM 0 HD3 LYS A 72 -2.530 -13.776 -18.366 1.00 45.14 H new ATOM 0 HE2 LYS A 72 -3.896 -12.276 -19.620 1.00 60.43 H new ATOM 0 HE3 LYS A 72 -3.341 -12.913 -21.156 1.00 60.43 H new ATOM 0 HZ1 LYS A 72 -5.557 -13.699 -20.631 1.00 52.25 H new ATOM 0 HZ2 LYS A 72 -4.472 -15.005 -20.666 1.00 52.25 H new ATOM 0 HZ3 LYS A 72 -5.010 -14.388 -19.179 1.00 52.25 H new ATOM 1137 N ILE A 73 2.589 -13.002 -18.295 1.00 30.34 N ATOM 1138 CA ILE A 73 3.677 -13.237 -17.354 1.00 23.12 C ATOM 1139 C ILE A 73 3.159 -13.312 -15.922 1.00 22.24 C ATOM 1140 O ILE A 73 2.149 -12.696 -15.583 1.00 12.44 O ATOM 1141 CB ILE A 73 4.747 -12.133 -17.443 1.00 41.25 C ATOM 1142 CG1 ILE A 73 5.402 -12.138 -18.826 1.00 53.34 C ATOM 1143 CG2 ILE A 73 5.794 -12.320 -16.355 1.00 52.33 C ATOM 1144 CD1 ILE A 73 6.455 -11.066 -19.000 1.00 52.23 C ATOM 0 H ILE A 73 1.876 -12.354 -17.962 1.00 30.34 H new ATOM 0 HA ILE A 73 4.128 -14.192 -17.626 1.00 23.12 H new ATOM 0 HB ILE A 73 4.264 -11.167 -17.293 1.00 41.25 H new ATOM 0 HG12 ILE A 73 5.856 -13.113 -19.001 1.00 53.34 H new ATOM 0 HG13 ILE A 73 4.631 -12.005 -19.585 1.00 53.34 H new ATOM 0 HG21 ILE A 73 6.543 -11.532 -16.432 1.00 52.33 H new ATOM 0 HG22 ILE A 73 5.315 -12.272 -15.377 1.00 52.33 H new ATOM 0 HG23 ILE A 73 6.275 -13.291 -16.476 1.00 52.33 H new ATOM 0 HD11 ILE A 73 6.876 -11.129 -20.003 1.00 52.23 H new ATOM 0 HD12 ILE A 73 6.002 -10.085 -18.858 1.00 52.23 H new ATOM 0 HD13 ILE A 73 7.246 -11.211 -18.264 1.00 52.23 H new ATOM 1156 N TYR A 74 3.859 -14.070 -15.084 1.00 74.25 N ATOM 1157 CA TYR A 74 3.469 -14.227 -13.688 1.00 43.31 C ATOM 1158 C TYR A 74 4.690 -14.474 -12.807 1.00 33.33 C ATOM 1159 O TYR A 74 5.212 -15.588 -12.748 1.00 10.32 O ATOM 1160 CB TYR A 74 2.477 -15.381 -13.540 1.00 34.01 C ATOM 1161 CG TYR A 74 1.626 -15.610 -14.769 1.00 2.11 C ATOM 1162 CD1 TYR A 74 0.435 -14.918 -14.953 1.00 23.43 C ATOM 1163 CD2 TYR A 74 2.014 -16.517 -15.747 1.00 64.31 C ATOM 1164 CE1 TYR A 74 -0.345 -15.125 -16.074 1.00 31.14 C ATOM 1165 CE2 TYR A 74 1.241 -16.729 -16.872 1.00 61.31 C ATOM 1166 CZ TYR A 74 0.062 -16.031 -17.031 1.00 21.25 C ATOM 1167 OH TYR A 74 -0.712 -16.239 -18.149 1.00 43.13 O ATOM 0 H TYR A 74 4.699 -14.585 -15.348 1.00 74.25 H new ATOM 0 HA TYR A 74 2.990 -13.303 -13.364 1.00 43.31 H new ATOM 0 HB2 TYR A 74 3.027 -16.295 -13.314 1.00 34.01 H new ATOM 0 HB3 TYR A 74 1.825 -15.182 -12.689 1.00 34.01 H new ATOM 0 HD1 TYR A 74 0.114 -14.206 -14.207 1.00 23.43 H new ATOM 0 HD2 TYR A 74 2.936 -17.066 -15.626 1.00 64.31 H new ATOM 0 HE1 TYR A 74 -1.269 -14.580 -16.200 1.00 31.14 H new ATOM 0 HE2 TYR A 74 1.558 -17.437 -17.623 1.00 61.31 H new ATOM 0 HH TYR A 74 -0.283 -16.907 -18.724 1.00 43.13 H new ATOM 1177 N PHE A 75 5.139 -13.428 -12.122 1.00 50.31 N ATOM 1178 CA PHE A 75 6.298 -13.530 -11.243 1.00 41.42 C ATOM 1179 C PHE A 75 6.315 -12.388 -10.231 1.00 44.43 C ATOM 1180 O PHE A 75 5.321 -11.684 -10.057 1.00 14.13 O ATOM 1181 CB PHE A 75 7.590 -13.519 -12.064 1.00 15.52 C ATOM 1182 CG PHE A 75 7.954 -12.160 -12.589 1.00 41.44 C ATOM 1183 CD1 PHE A 75 7.034 -11.408 -13.302 1.00 74.11 C ATOM 1184 CD2 PHE A 75 9.217 -11.633 -12.370 1.00 71.34 C ATOM 1185 CE1 PHE A 75 7.367 -10.158 -13.788 1.00 11.24 C ATOM 1186 CE2 PHE A 75 9.556 -10.383 -12.853 1.00 72.21 C ATOM 1187 CZ PHE A 75 8.629 -9.644 -13.562 1.00 21.23 C ATOM 0 H PHE A 75 4.718 -12.500 -12.159 1.00 50.31 H new ATOM 0 HA PHE A 75 6.229 -14.472 -10.700 1.00 41.42 H new ATOM 0 HB2 PHE A 75 8.407 -13.892 -11.446 1.00 15.52 H new ATOM 0 HB3 PHE A 75 7.484 -14.207 -12.902 1.00 15.52 H new ATOM 0 HD1 PHE A 75 6.045 -11.804 -13.480 1.00 74.11 H new ATOM 0 HD2 PHE A 75 9.945 -12.206 -11.815 1.00 71.34 H new ATOM 0 HE1 PHE A 75 6.641 -9.583 -14.344 1.00 11.24 H new ATOM 0 HE2 PHE A 75 10.544 -9.985 -12.676 1.00 72.21 H new ATOM 0 HZ PHE A 75 8.890 -8.666 -13.939 1.00 21.23 H new ATOM 1197 N TRP A 76 7.452 -12.211 -9.568 1.00 1.14 N ATOM 1198 CA TRP A 76 7.599 -11.155 -8.572 1.00 45.13 C ATOM 1199 C TRP A 76 9.023 -10.609 -8.564 1.00 62.51 C ATOM 1200 O TRP A 76 9.979 -11.335 -8.842 1.00 11.12 O ATOM 1201 CB TRP A 76 7.233 -11.680 -7.183 1.00 64.42 C ATOM 1202 CG TRP A 76 6.745 -13.097 -7.194 1.00 22.41 C ATOM 1203 CD1 TRP A 76 7.509 -14.228 -7.126 1.00 54.21 C ATOM 1204 CD2 TRP A 76 5.384 -13.534 -7.279 1.00 65.42 C ATOM 1205 NE1 TRP A 76 6.704 -15.341 -7.164 1.00 63.22 N ATOM 1206 CE2 TRP A 76 5.397 -14.943 -7.257 1.00 41.21 C ATOM 1207 CE3 TRP A 76 4.157 -12.873 -7.370 1.00 33.31 C ATOM 1208 CZ2 TRP A 76 4.230 -15.698 -7.324 1.00 34.52 C ATOM 1209 CZ3 TRP A 76 2.999 -13.625 -7.436 1.00 51.34 C ATOM 1210 CH2 TRP A 76 3.042 -15.025 -7.412 1.00 74.13 C ATOM 0 H TRP A 76 8.285 -12.784 -9.702 1.00 1.14 H new ATOM 0 HA TRP A 76 6.920 -10.344 -8.836 1.00 45.13 H new ATOM 0 HB2 TRP A 76 8.106 -11.609 -6.534 1.00 64.42 H new ATOM 0 HB3 TRP A 76 6.462 -11.041 -6.752 1.00 64.42 H new ATOM 0 HD1 TRP A 76 8.586 -14.245 -7.053 1.00 54.21 H new ATOM 0 HE1 TRP A 76 7.028 -16.308 -7.129 1.00 63.22 H new ATOM 0 HE3 TRP A 76 4.114 -11.794 -7.388 1.00 33.31 H new ATOM 0 HZ2 TRP A 76 4.261 -16.777 -7.307 1.00 34.52 H new ATOM 0 HZ3 TRP A 76 2.045 -13.125 -7.507 1.00 51.34 H new ATOM 0 HH2 TRP A 76 2.119 -15.584 -7.464 1.00 74.13 H new ATOM 1221 N THR A 77 9.159 -9.326 -8.244 1.00 22.43 N ATOM 1222 CA THR A 77 10.467 -8.684 -8.200 1.00 54.23 C ATOM 1223 C THR A 77 10.817 -8.244 -6.783 1.00 75.42 C ATOM 1224 O THR A 77 9.933 -8.022 -5.955 1.00 72.43 O ATOM 1225 CB THR A 77 10.522 -7.460 -9.134 1.00 1.33 C ATOM 1226 OG1 THR A 77 9.298 -6.722 -9.048 1.00 32.13 O ATOM 1227 CG2 THR A 77 10.762 -7.888 -10.574 1.00 2.54 C ATOM 0 H THR A 77 8.379 -8.711 -8.011 1.00 22.43 H new ATOM 0 HA THR A 77 11.194 -9.423 -8.537 1.00 54.23 H new ATOM 0 HB THR A 77 11.350 -6.826 -8.817 1.00 1.33 H new ATOM 0 HG1 THR A 77 9.342 -5.945 -9.643 1.00 32.13 H new ATOM 0 HG21 THR A 77 10.797 -7.007 -11.215 1.00 2.54 H new ATOM 0 HG22 THR A 77 11.709 -8.423 -10.641 1.00 2.54 H new ATOM 0 HG23 THR A 77 9.952 -8.541 -10.899 1.00 2.54 H new ATOM 1235 N PHE A 78 12.111 -8.120 -6.510 1.00 41.11 N ATOM 1236 CA PHE A 78 12.578 -7.707 -5.192 1.00 11.22 C ATOM 1237 C PHE A 78 13.431 -6.445 -5.288 1.00 23.54 C ATOM 1238 O PHE A 78 14.197 -6.271 -6.236 1.00 13.31 O ATOM 1239 CB PHE A 78 13.382 -8.832 -4.537 1.00 0.45 C ATOM 1240 CG PHE A 78 12.910 -9.179 -3.154 1.00 12.04 C ATOM 1241 CD1 PHE A 78 13.430 -8.529 -2.046 1.00 62.10 C ATOM 1242 CD2 PHE A 78 11.945 -10.155 -2.961 1.00 44.13 C ATOM 1243 CE1 PHE A 78 12.998 -8.847 -0.772 1.00 71.55 C ATOM 1244 CE2 PHE A 78 11.509 -10.477 -1.690 1.00 71.30 C ATOM 1245 CZ PHE A 78 12.035 -9.822 -0.594 1.00 43.23 C ATOM 0 H PHE A 78 12.855 -8.300 -7.184 1.00 41.11 H new ATOM 0 HA PHE A 78 11.705 -7.488 -4.577 1.00 11.22 H new ATOM 0 HB2 PHE A 78 13.326 -9.721 -5.165 1.00 0.45 H new ATOM 0 HB3 PHE A 78 14.431 -8.539 -4.492 1.00 0.45 H new ATOM 0 HD1 PHE A 78 14.182 -7.765 -2.179 1.00 62.10 H new ATOM 0 HD2 PHE A 78 11.529 -10.670 -3.814 1.00 44.13 H new ATOM 0 HE1 PHE A 78 13.413 -8.334 0.083 1.00 71.55 H new ATOM 0 HE2 PHE A 78 10.757 -11.240 -1.554 1.00 71.30 H new ATOM 0 HZ PHE A 78 11.694 -10.071 0.400 1.00 43.23 H new ATOM 1255 N VAL A 79 13.293 -5.568 -4.298 1.00 64.25 N ATOM 1256 CA VAL A 79 14.051 -4.323 -4.270 1.00 2.12 C ATOM 1257 C VAL A 79 14.468 -3.966 -2.847 1.00 50.15 C ATOM 1258 O VAL A 79 14.024 -4.591 -1.884 1.00 72.53 O ATOM 1259 CB VAL A 79 13.238 -3.157 -4.863 1.00 33.14 C ATOM 1260 CG1 VAL A 79 13.884 -2.652 -6.144 1.00 11.14 C ATOM 1261 CG2 VAL A 79 11.800 -3.585 -5.114 1.00 13.12 C ATOM 0 H VAL A 79 12.664 -5.697 -3.506 1.00 64.25 H new ATOM 0 HA VAL A 79 14.942 -4.481 -4.878 1.00 2.12 H new ATOM 0 HB VAL A 79 13.230 -2.339 -4.143 1.00 33.14 H new ATOM 0 HG11 VAL A 79 13.295 -1.828 -6.548 1.00 11.14 H new ATOM 0 HG12 VAL A 79 14.895 -2.305 -5.929 1.00 11.14 H new ATOM 0 HG13 VAL A 79 13.926 -3.461 -6.874 1.00 11.14 H new ATOM 0 HG21 VAL A 79 11.240 -2.749 -5.533 1.00 13.12 H new ATOM 0 HG22 VAL A 79 11.786 -4.419 -5.815 1.00 13.12 H new ATOM 0 HG23 VAL A 79 11.343 -3.893 -4.174 1.00 13.12 H new ATOM 1271 N ILE A 80 15.323 -2.957 -2.723 1.00 41.42 N ATOM 1272 CA ILE A 80 15.799 -2.515 -1.418 1.00 34.21 C ATOM 1273 C ILE A 80 16.036 -1.009 -1.400 1.00 12.12 C ATOM 1274 O ILE A 80 17.094 -0.531 -1.810 1.00 54.41 O ATOM 1275 CB ILE A 80 17.102 -3.234 -1.021 1.00 53.40 C ATOM 1276 CG1 ILE A 80 16.884 -4.748 -0.985 1.00 44.31 C ATOM 1277 CG2 ILE A 80 17.594 -2.731 0.328 1.00 34.42 C ATOM 1278 CD1 ILE A 80 18.169 -5.540 -0.884 1.00 71.33 C ATOM 0 H ILE A 80 15.701 -2.430 -3.510 1.00 41.42 H new ATOM 0 HA ILE A 80 15.021 -2.766 -0.697 1.00 34.21 H new ATOM 0 HB ILE A 80 17.864 -3.014 -1.769 1.00 53.40 H new ATOM 0 HG12 ILE A 80 16.246 -4.995 -0.136 1.00 44.31 H new ATOM 0 HG13 ILE A 80 16.349 -5.052 -1.885 1.00 44.31 H new ATOM 0 HG21 ILE A 80 18.515 -3.248 0.595 1.00 34.42 H new ATOM 0 HG22 ILE A 80 17.783 -1.659 0.270 1.00 34.42 H new ATOM 0 HG23 ILE A 80 16.836 -2.925 1.087 1.00 34.42 H new ATOM 0 HD11 ILE A 80 17.939 -6.605 -0.863 1.00 71.33 H new ATOM 0 HD12 ILE A 80 18.800 -5.322 -1.746 1.00 71.33 H new ATOM 0 HD13 ILE A 80 18.695 -5.264 0.030 1.00 71.33 H new ATOM 1290 N LYS A 81 15.045 -0.265 -0.920 1.00 31.22 N ATOM 1291 CA LYS A 81 15.145 1.187 -0.844 1.00 42.42 C ATOM 1292 C LYS A 81 15.152 1.658 0.607 1.00 74.41 C ATOM 1293 O LYS A 81 14.438 1.112 1.449 1.00 1.31 O ATOM 1294 CB LYS A 81 13.984 1.839 -1.598 1.00 15.35 C ATOM 1295 CG LYS A 81 14.043 3.357 -1.611 1.00 13.00 C ATOM 1296 CD LYS A 81 12.708 3.971 -1.224 1.00 75.41 C ATOM 1297 CE LYS A 81 12.852 5.443 -0.871 1.00 61.01 C ATOM 1298 NZ LYS A 81 12.083 5.798 0.353 1.00 15.03 N ATOM 0 H LYS A 81 14.162 -0.645 -0.577 1.00 31.22 H new ATOM 0 HA LYS A 81 16.085 1.486 -1.308 1.00 42.42 H new ATOM 0 HB2 LYS A 81 13.979 1.475 -2.625 1.00 15.35 H new ATOM 0 HB3 LYS A 81 13.044 1.524 -1.144 1.00 15.35 H new ATOM 0 HG2 LYS A 81 14.815 3.698 -0.921 1.00 13.00 H new ATOM 0 HG3 LYS A 81 14.329 3.702 -2.605 1.00 13.00 H new ATOM 0 HD2 LYS A 81 12.003 3.861 -2.048 1.00 75.41 H new ATOM 0 HD3 LYS A 81 12.291 3.431 -0.374 1.00 75.41 H new ATOM 0 HE2 LYS A 81 13.905 5.679 -0.719 1.00 61.01 H new ATOM 0 HE3 LYS A 81 12.506 6.052 -1.706 1.00 61.01 H new ATOM 0 HZ1 LYS A 81 12.207 6.810 0.560 1.00 15.03 H new ATOM 0 HZ2 LYS A 81 11.074 5.597 0.200 1.00 15.03 H new ATOM 0 HZ3 LYS A 81 12.430 5.235 1.156 1.00 15.03 H new ATOM 1312 N ASP A 82 15.960 2.673 0.891 1.00 31.44 N ATOM 1313 CA ASP A 82 16.057 3.218 2.241 1.00 72.15 C ATOM 1314 C ASP A 82 16.259 2.104 3.263 1.00 10.44 C ATOM 1315 O ASP A 82 15.799 2.201 4.400 1.00 0.04 O ATOM 1316 CB ASP A 82 14.799 4.019 2.582 1.00 61.54 C ATOM 1317 CG ASP A 82 15.024 5.515 2.494 1.00 1.21 C ATOM 1318 OD1 ASP A 82 15.852 5.944 1.663 1.00 63.50 O ATOM 1319 OD2 ASP A 82 14.371 6.258 3.256 1.00 4.42 O ATOM 0 H ASP A 82 16.557 3.135 0.205 1.00 31.44 H new ATOM 0 HA ASP A 82 16.921 3.881 2.278 1.00 72.15 H new ATOM 0 HB2 ASP A 82 13.996 3.735 1.902 1.00 61.54 H new ATOM 0 HB3 ASP A 82 14.470 3.763 3.589 1.00 61.54 H new ATOM 1324 N GLY A 83 16.950 1.046 2.850 1.00 12.12 N ATOM 1325 CA GLY A 83 17.200 -0.071 3.742 1.00 35.21 C ATOM 1326 C GLY A 83 15.921 -0.671 4.292 1.00 73.43 C ATOM 1327 O GLY A 83 15.902 -1.198 5.405 1.00 74.31 O ATOM 0 H GLY A 83 17.341 0.943 1.914 1.00 12.12 H new ATOM 0 HA2 GLY A 83 17.758 -0.840 3.208 1.00 35.21 H new ATOM 0 HA3 GLY A 83 17.827 0.262 4.569 1.00 35.21 H new ATOM 1331 N LEU A 84 14.848 -0.591 3.512 1.00 65.05 N ATOM 1332 CA LEU A 84 13.558 -1.129 3.927 1.00 31.40 C ATOM 1333 C LEU A 84 13.339 -2.525 3.351 1.00 2.13 C ATOM 1334 O LEU A 84 13.236 -3.503 4.090 1.00 20.20 O ATOM 1335 CB LEU A 84 12.428 -0.199 3.482 1.00 30.15 C ATOM 1336 CG LEU A 84 12.009 0.875 4.486 1.00 0.45 C ATOM 1337 CD1 LEU A 84 11.558 2.135 3.763 1.00 3.03 C ATOM 1338 CD2 LEU A 84 10.904 0.355 5.394 1.00 1.24 C ATOM 0 H LEU A 84 14.847 -0.158 2.588 1.00 65.05 H new ATOM 0 HA LEU A 84 13.555 -1.200 5.015 1.00 31.40 H new ATOM 0 HB2 LEU A 84 12.732 0.294 2.559 1.00 30.15 H new ATOM 0 HB3 LEU A 84 11.555 -0.808 3.246 1.00 30.15 H new ATOM 0 HG LEU A 84 12.872 1.124 5.103 1.00 0.45 H new ATOM 0 HD11 LEU A 84 11.264 2.888 4.494 1.00 3.03 H new ATOM 0 HD12 LEU A 84 12.378 2.519 3.156 1.00 3.03 H new ATOM 0 HD13 LEU A 84 10.709 1.902 3.120 1.00 3.03 H new ATOM 0 HD21 LEU A 84 10.619 1.133 6.102 1.00 1.24 H new ATOM 0 HD22 LEU A 84 10.039 0.077 4.792 1.00 1.24 H new ATOM 0 HD23 LEU A 84 11.262 -0.518 5.939 1.00 1.24 H new ATOM 1350 N GLY A 85 13.271 -2.609 2.026 1.00 45.00 N ATOM 1351 CA GLY A 85 13.068 -3.889 1.373 1.00 32.13 C ATOM 1352 C GLY A 85 11.664 -4.042 0.823 1.00 72.22 C ATOM 1353 O GLY A 85 10.711 -4.239 1.578 1.00 65.50 O ATOM 0 H GLY A 85 13.353 -1.813 1.393 1.00 45.00 H new ATOM 0 HA2 GLY A 85 13.787 -3.997 0.561 1.00 32.13 H new ATOM 0 HA3 GLY A 85 13.266 -4.692 2.083 1.00 32.13 H new ATOM 1357 N TYR A 86 11.534 -3.950 -0.496 1.00 10.21 N ATOM 1358 CA TYR A 86 10.235 -4.075 -1.147 1.00 22.33 C ATOM 1359 C TYR A 86 10.224 -5.253 -2.117 1.00 54.40 C ATOM 1360 O TYR A 86 11.260 -5.860 -2.386 1.00 20.23 O ATOM 1361 CB TYR A 86 9.887 -2.784 -1.889 1.00 74.44 C ATOM 1362 CG TYR A 86 9.791 -1.574 -0.988 1.00 34.30 C ATOM 1363 CD1 TYR A 86 10.930 -0.881 -0.599 1.00 31.25 C ATOM 1364 CD2 TYR A 86 8.560 -1.123 -0.527 1.00 32.45 C ATOM 1365 CE1 TYR A 86 10.847 0.224 0.226 1.00 53.45 C ATOM 1366 CE2 TYR A 86 8.467 -0.018 0.297 1.00 50.13 C ATOM 1367 CZ TYR A 86 9.613 0.652 0.670 1.00 2.33 C ATOM 1368 OH TYR A 86 9.526 1.754 1.490 1.00 10.01 O ATOM 0 H TYR A 86 12.312 -3.789 -1.135 1.00 10.21 H new ATOM 0 HA TYR A 86 9.486 -4.256 -0.376 1.00 22.33 H new ATOM 0 HB2 TYR A 86 10.643 -2.599 -2.652 1.00 74.44 H new ATOM 0 HB3 TYR A 86 8.937 -2.917 -2.407 1.00 74.44 H new ATOM 0 HD1 TYR A 86 11.897 -1.212 -0.947 1.00 31.25 H new ATOM 0 HD2 TYR A 86 7.661 -1.645 -0.818 1.00 32.45 H new ATOM 0 HE1 TYR A 86 11.743 0.750 0.522 1.00 53.45 H new ATOM 0 HE2 TYR A 86 7.502 0.319 0.647 1.00 50.13 H new ATOM 0 HH TYR A 86 10.234 2.391 1.259 1.00 10.01 H new ATOM 1378 N ARG A 87 9.043 -5.568 -2.640 1.00 63.10 N ATOM 1379 CA ARG A 87 8.895 -6.672 -3.580 1.00 71.43 C ATOM 1380 C ARG A 87 7.495 -6.686 -4.187 1.00 13.34 C ATOM 1381 O ARG A 87 6.498 -6.597 -3.471 1.00 13.54 O ATOM 1382 CB ARG A 87 9.173 -8.005 -2.883 1.00 32.15 C ATOM 1383 CG ARG A 87 8.888 -9.219 -3.752 1.00 43.21 C ATOM 1384 CD ARG A 87 8.259 -10.345 -2.948 1.00 20.44 C ATOM 1385 NE ARG A 87 7.008 -9.935 -2.317 1.00 13.54 N ATOM 1386 CZ ARG A 87 6.921 -9.521 -1.057 1.00 51.33 C ATOM 1387 NH1 ARG A 87 8.007 -9.463 -0.299 1.00 13.42 N ATOM 1388 NH2 ARG A 87 5.746 -9.163 -0.555 1.00 20.34 N ATOM 0 H ARG A 87 8.176 -5.074 -2.429 1.00 63.10 H new ATOM 0 HA ARG A 87 9.619 -6.531 -4.382 1.00 71.43 H new ATOM 0 HB2 ARG A 87 10.217 -8.030 -2.569 1.00 32.15 H new ATOM 0 HB3 ARG A 87 8.567 -8.066 -1.979 1.00 32.15 H new ATOM 0 HG2 ARG A 87 8.221 -8.936 -4.567 1.00 43.21 H new ATOM 0 HG3 ARG A 87 9.815 -9.569 -4.206 1.00 43.21 H new ATOM 0 HD2 ARG A 87 8.073 -11.197 -3.602 1.00 20.44 H new ATOM 0 HD3 ARG A 87 8.959 -10.678 -2.182 1.00 20.44 H new ATOM 0 HE ARG A 87 6.154 -9.968 -2.874 1.00 13.54 H new ATOM 0 HH11 ARG A 87 8.912 -9.736 -0.682 1.00 13.42 H new ATOM 0 HH12 ARG A 87 7.938 -9.145 0.668 1.00 13.42 H new ATOM 0 HH21 ARG A 87 4.909 -9.205 -1.136 1.00 20.34 H new ATOM 0 HH22 ARG A 87 5.680 -8.845 0.412 1.00 20.34 H new ATOM 1402 N GLN A 88 7.429 -6.797 -5.509 1.00 62.14 N ATOM 1403 CA GLN A 88 6.151 -6.821 -6.211 1.00 44.32 C ATOM 1404 C GLN A 88 5.448 -8.159 -6.016 1.00 35.54 C ATOM 1405 O GLN A 88 6.081 -9.163 -5.687 1.00 50.25 O ATOM 1406 CB GLN A 88 6.360 -6.554 -7.703 1.00 12.21 C ATOM 1407 CG GLN A 88 5.084 -6.175 -8.437 1.00 72.13 C ATOM 1408 CD GLN A 88 4.525 -4.840 -7.986 1.00 41.03 C ATOM 1409 OE1 GLN A 88 3.609 -4.783 -7.165 1.00 43.32 O ATOM 1410 NE2 GLN A 88 5.075 -3.756 -8.522 1.00 20.51 N ATOM 0 H GLN A 88 8.245 -6.872 -6.116 1.00 62.14 H new ATOM 0 HA GLN A 88 5.521 -6.036 -5.793 1.00 44.32 H new ATOM 0 HB2 GLN A 88 7.089 -5.753 -7.822 1.00 12.21 H new ATOM 0 HB3 GLN A 88 6.786 -7.444 -8.167 1.00 12.21 H new ATOM 0 HG2 GLN A 88 5.283 -6.138 -9.508 1.00 72.13 H new ATOM 0 HG3 GLN A 88 4.334 -6.950 -8.279 1.00 72.13 H new ATOM 0 HE21 GLN A 88 5.832 -3.850 -9.199 1.00 20.51 H new ATOM 0 HE22 GLN A 88 4.740 -2.830 -8.257 1.00 20.51 H new ATOM 1419 N ASP A 89 4.135 -8.167 -6.219 1.00 33.13 N ATOM 1420 CA ASP A 89 3.344 -9.383 -6.065 1.00 64.14 C ATOM 1421 C ASP A 89 2.271 -9.474 -7.146 1.00 3.51 C ATOM 1422 O ASP A 89 2.330 -8.770 -8.153 1.00 40.40 O ATOM 1423 CB ASP A 89 2.696 -9.424 -4.681 1.00 23.33 C ATOM 1424 CG ASP A 89 2.768 -10.800 -4.049 1.00 21.45 C ATOM 1425 OD1 ASP A 89 3.847 -11.161 -3.535 1.00 24.22 O ATOM 1426 OD2 ASP A 89 1.745 -11.517 -4.068 1.00 42.04 O ATOM 0 H ASP A 89 3.596 -7.345 -6.491 1.00 33.13 H new ATOM 0 HA ASP A 89 4.013 -10.237 -6.169 1.00 64.14 H new ATOM 0 HB2 ASP A 89 3.190 -8.702 -4.030 1.00 23.33 H new ATOM 0 HB3 ASP A 89 1.653 -9.119 -4.762 1.00 23.33 H new ATOM 1431 N ASN A 90 1.292 -10.346 -6.929 1.00 3.11 N ATOM 1432 CA ASN A 90 0.207 -10.530 -7.885 1.00 54.21 C ATOM 1433 C ASN A 90 0.615 -11.497 -8.992 1.00 52.12 C ATOM 1434 O ASN A 90 -0.161 -12.365 -9.390 1.00 21.12 O ATOM 1435 CB ASN A 90 -0.200 -9.185 -8.491 1.00 71.23 C ATOM 1436 CG ASN A 90 -1.697 -9.078 -8.709 1.00 31.22 C ATOM 1437 OD1 ASN A 90 -2.163 -8.948 -9.841 1.00 34.12 O ATOM 1438 ND2 ASN A 90 -2.458 -9.132 -7.622 1.00 31.51 N ATOM 0 H ASN A 90 1.228 -10.936 -6.100 1.00 3.11 H new ATOM 0 HA ASN A 90 -0.645 -10.954 -7.353 1.00 54.21 H new ATOM 0 HB2 ASN A 90 0.127 -8.380 -7.833 1.00 71.23 H new ATOM 0 HB3 ASN A 90 0.314 -9.048 -9.443 1.00 71.23 H new ATOM 0 HD21 ASN A 90 -3.472 -9.065 -7.706 1.00 31.51 H new ATOM 0 HD22 ASN A 90 -2.028 -9.241 -6.703 1.00 31.51 H new ATOM 1445 N GLY A 91 1.839 -11.340 -9.486 1.00 25.11 N ATOM 1446 CA GLY A 91 2.330 -12.206 -10.542 1.00 20.20 C ATOM 1447 C GLY A 91 1.343 -12.344 -11.684 1.00 31.40 C ATOM 1448 O GLY A 91 0.745 -13.403 -11.871 1.00 30.44 O ATOM 0 H GLY A 91 2.500 -10.628 -9.174 1.00 25.11 H new ATOM 0 HA2 GLY A 91 3.271 -11.810 -10.925 1.00 20.20 H new ATOM 0 HA3 GLY A 91 2.544 -13.192 -10.129 1.00 20.20 H new ATOM 1452 N GLU A 92 1.171 -11.271 -12.449 1.00 10.42 N ATOM 1453 CA GLU A 92 0.247 -11.277 -13.577 1.00 31.12 C ATOM 1454 C GLU A 92 0.418 -10.022 -14.427 1.00 51.24 C ATOM 1455 O GLU A 92 0.198 -8.906 -13.957 1.00 13.11 O ATOM 1456 CB GLU A 92 -1.197 -11.378 -13.081 1.00 52.31 C ATOM 1457 CG GLU A 92 -2.230 -11.265 -14.189 1.00 54.44 C ATOM 1458 CD GLU A 92 -3.653 -11.284 -13.665 1.00 10.41 C ATOM 1459 OE1 GLU A 92 -4.109 -10.243 -13.146 1.00 62.13 O ATOM 1460 OE2 GLU A 92 -4.311 -12.340 -13.774 1.00 3.24 O ATOM 0 H GLU A 92 1.659 -10.387 -12.308 1.00 10.42 H new ATOM 0 HA GLU A 92 0.473 -12.146 -14.195 1.00 31.12 H new ATOM 0 HB2 GLU A 92 -1.330 -12.330 -12.567 1.00 52.31 H new ATOM 0 HB3 GLU A 92 -1.376 -10.592 -12.347 1.00 52.31 H new ATOM 0 HG2 GLU A 92 -2.063 -10.341 -14.743 1.00 54.44 H new ATOM 0 HG3 GLU A 92 -2.095 -12.087 -14.892 1.00 54.44 H new ATOM 1467 N TRP A 93 0.812 -10.213 -15.681 1.00 23.40 N ATOM 1468 CA TRP A 93 1.014 -9.097 -16.598 1.00 32.03 C ATOM 1469 C TRP A 93 0.860 -9.547 -18.046 1.00 73.42 C ATOM 1470 O TRP A 93 1.607 -10.401 -18.525 1.00 4.11 O ATOM 1471 CB TRP A 93 2.398 -8.481 -16.387 1.00 14.52 C ATOM 1472 CG TRP A 93 2.534 -7.761 -15.079 1.00 24.41 C ATOM 1473 CD1 TRP A 93 2.130 -6.487 -14.798 1.00 24.41 C ATOM 1474 CD2 TRP A 93 3.117 -8.274 -13.876 1.00 20.22 C ATOM 1475 NE1 TRP A 93 2.427 -6.177 -13.493 1.00 31.35 N ATOM 1476 CE2 TRP A 93 3.032 -7.257 -12.905 1.00 53.11 C ATOM 1477 CE3 TRP A 93 3.700 -9.494 -13.523 1.00 65.14 C ATOM 1478 CZ2 TRP A 93 3.509 -7.424 -11.608 1.00 63.21 C ATOM 1479 CZ3 TRP A 93 4.174 -9.658 -12.236 1.00 24.43 C ATOM 1480 CH2 TRP A 93 4.076 -8.629 -11.290 1.00 51.35 C ATOM 0 H TRP A 93 0.998 -11.130 -16.086 1.00 23.40 H new ATOM 0 HA TRP A 93 0.253 -8.345 -16.388 1.00 32.03 H new ATOM 0 HB2 TRP A 93 3.150 -9.268 -16.440 1.00 14.52 H new ATOM 0 HB3 TRP A 93 2.606 -7.785 -17.200 1.00 14.52 H new ATOM 0 HD1 TRP A 93 1.648 -5.821 -15.499 1.00 24.41 H new ATOM 0 HE1 TRP A 93 2.229 -5.287 -13.036 1.00 31.35 H new ATOM 0 HE3 TRP A 93 3.779 -10.294 -14.244 1.00 65.14 H new ATOM 0 HZ2 TRP A 93 3.434 -6.631 -10.878 1.00 63.21 H new ATOM 0 HZ3 TRP A 93 4.628 -10.596 -11.954 1.00 24.43 H new ATOM 0 HH2 TRP A 93 4.455 -8.789 -10.291 1.00 51.35 H new ATOM 1491 N THR A 94 -0.115 -8.969 -18.741 1.00 43.32 N ATOM 1492 CA THR A 94 -0.367 -9.312 -20.135 1.00 40.50 C ATOM 1493 C THR A 94 0.482 -8.461 -21.073 1.00 12.32 C ATOM 1494 O THR A 94 0.545 -7.239 -20.933 1.00 20.31 O ATOM 1495 CB THR A 94 -1.853 -9.129 -20.498 1.00 62.33 C ATOM 1496 OG1 THR A 94 -2.679 -9.772 -19.521 1.00 5.34 O ATOM 1497 CG2 THR A 94 -2.148 -9.704 -21.875 1.00 64.44 C ATOM 0 H THR A 94 -0.743 -8.261 -18.361 1.00 43.32 H new ATOM 0 HA THR A 94 -0.097 -10.361 -20.256 1.00 40.50 H new ATOM 0 HB THR A 94 -2.072 -8.061 -20.512 1.00 62.33 H new ATOM 0 HG1 THR A 94 -3.622 -9.649 -19.758 1.00 5.34 H new ATOM 0 HG21 THR A 94 -3.203 -9.563 -22.110 1.00 64.44 H new ATOM 0 HG22 THR A 94 -1.539 -9.193 -22.621 1.00 64.44 H new ATOM 0 HG23 THR A 94 -1.913 -10.768 -21.883 1.00 64.44 H new ATOM 1505 N VAL A 95 1.133 -9.114 -22.030 1.00 41.32 N ATOM 1506 CA VAL A 95 1.977 -8.416 -22.993 1.00 22.30 C ATOM 1507 C VAL A 95 1.145 -7.531 -23.914 1.00 31.12 C ATOM 1508 O VAL A 95 0.369 -8.026 -24.731 1.00 10.42 O ATOM 1509 CB VAL A 95 2.790 -9.407 -23.848 1.00 12.21 C ATOM 1510 CG1 VAL A 95 3.769 -8.662 -24.742 1.00 71.15 C ATOM 1511 CG2 VAL A 95 3.519 -10.404 -22.959 1.00 53.54 C ATOM 0 H VAL A 95 1.092 -10.125 -22.159 1.00 41.32 H new ATOM 0 HA VAL A 95 2.664 -7.793 -22.419 1.00 22.30 H new ATOM 0 HB VAL A 95 2.101 -9.960 -24.486 1.00 12.21 H new ATOM 0 HG11 VAL A 95 4.334 -9.378 -25.338 1.00 71.15 H new ATOM 0 HG12 VAL A 95 3.220 -7.992 -25.404 1.00 71.15 H new ATOM 0 HG13 VAL A 95 4.455 -8.081 -24.126 1.00 71.15 H new ATOM 0 HG21 VAL A 95 4.088 -11.096 -23.579 1.00 53.54 H new ATOM 0 HG22 VAL A 95 4.198 -9.870 -22.294 1.00 53.54 H new ATOM 0 HG23 VAL A 95 2.794 -10.961 -22.366 1.00 53.54 H new ATOM 1521 N GLU A 96 1.313 -6.220 -23.776 1.00 13.45 N ATOM 1522 CA GLU A 96 0.576 -5.265 -24.596 1.00 32.34 C ATOM 1523 C GLU A 96 1.521 -4.249 -25.230 1.00 2.13 C ATOM 1524 O GLU A 96 1.085 -3.246 -25.792 1.00 52.50 O ATOM 1525 CB GLU A 96 -0.478 -4.542 -23.754 1.00 22.32 C ATOM 1526 CG GLU A 96 -1.501 -5.475 -23.128 1.00 12.43 C ATOM 1527 CD GLU A 96 -2.858 -5.387 -23.799 1.00 11.30 C ATOM 1528 OE1 GLU A 96 -3.013 -5.958 -24.899 1.00 11.41 O ATOM 1529 OE2 GLU A 96 -3.764 -4.747 -23.225 1.00 72.52 O ATOM 0 H GLU A 96 1.952 -5.795 -23.105 1.00 13.45 H new ATOM 0 HA GLU A 96 0.078 -5.818 -25.392 1.00 32.34 H new ATOM 0 HB2 GLU A 96 0.022 -3.982 -22.964 1.00 22.32 H new ATOM 0 HB3 GLU A 96 -0.996 -3.816 -24.381 1.00 22.32 H new ATOM 0 HG2 GLU A 96 -1.136 -6.500 -23.187 1.00 12.43 H new ATOM 0 HG3 GLU A 96 -1.607 -5.235 -22.070 1.00 12.43 H new ATOM 1536 N GLY A 97 2.820 -4.517 -25.134 1.00 30.13 N ATOM 1537 CA GLY A 97 3.807 -3.617 -25.701 1.00 61.30 C ATOM 1538 C GLY A 97 4.708 -4.305 -26.708 1.00 33.01 C ATOM 1539 O GLY A 97 4.526 -5.485 -27.010 1.00 41.31 O ATOM 0 H GLY A 97 3.206 -5.341 -24.674 1.00 30.13 H new ATOM 0 HA2 GLY A 97 3.298 -2.782 -26.184 1.00 61.30 H new ATOM 0 HA3 GLY A 97 4.416 -3.199 -24.899 1.00 61.30 H new ATOM 1543 N PHE A 98 5.681 -3.566 -27.230 1.00 71.34 N ATOM 1544 CA PHE A 98 6.612 -4.112 -28.212 1.00 12.53 C ATOM 1545 C PHE A 98 7.940 -3.361 -28.178 1.00 14.55 C ATOM 1546 O PHE A 98 8.002 -2.205 -27.757 1.00 53.05 O ATOM 1547 CB PHE A 98 6.007 -4.038 -29.615 1.00 42.13 C ATOM 1548 CG PHE A 98 6.107 -5.327 -30.379 1.00 65.15 C ATOM 1549 CD1 PHE A 98 5.673 -6.517 -29.817 1.00 42.43 C ATOM 1550 CD2 PHE A 98 6.637 -5.349 -31.660 1.00 35.41 C ATOM 1551 CE1 PHE A 98 5.764 -7.705 -30.518 1.00 14.31 C ATOM 1552 CE2 PHE A 98 6.729 -6.534 -32.365 1.00 61.34 C ATOM 1553 CZ PHE A 98 6.293 -7.714 -31.793 1.00 43.53 C ATOM 0 H PHE A 98 5.846 -2.588 -26.990 1.00 71.34 H new ATOM 0 HA PHE A 98 6.798 -5.156 -27.959 1.00 12.53 H new ATOM 0 HB2 PHE A 98 4.958 -3.753 -29.535 1.00 42.13 H new ATOM 0 HB3 PHE A 98 6.509 -3.251 -30.178 1.00 42.13 H new ATOM 0 HD1 PHE A 98 5.259 -6.516 -28.820 1.00 42.43 H new ATOM 0 HD2 PHE A 98 6.982 -4.430 -32.112 1.00 35.41 H new ATOM 0 HE1 PHE A 98 5.421 -8.625 -30.068 1.00 14.31 H new ATOM 0 HE2 PHE A 98 7.142 -6.538 -33.363 1.00 61.34 H new ATOM 0 HZ PHE A 98 6.366 -8.641 -32.342 1.00 43.53 H new ATOM 1563 N VAL A 99 9.001 -4.026 -28.622 1.00 72.23 N ATOM 1564 CA VAL A 99 10.328 -3.423 -28.644 1.00 11.03 C ATOM 1565 C VAL A 99 11.299 -4.260 -29.469 1.00 31.24 C ATOM 1566 O VAL A 99 10.914 -5.264 -30.068 1.00 65.50 O ATOM 1567 CB VAL A 99 10.892 -3.257 -27.220 1.00 51.31 C ATOM 1568 CG1 VAL A 99 10.729 -1.821 -26.745 1.00 52.23 C ATOM 1569 CG2 VAL A 99 10.213 -4.224 -26.262 1.00 40.02 C ATOM 0 H VAL A 99 8.967 -4.984 -28.972 1.00 72.23 H new ATOM 0 HA VAL A 99 10.221 -2.440 -29.102 1.00 11.03 H new ATOM 0 HB VAL A 99 11.957 -3.489 -27.241 1.00 51.31 H new ATOM 0 HG11 VAL A 99 11.133 -1.723 -25.737 1.00 52.23 H new ATOM 0 HG12 VAL A 99 11.266 -1.152 -27.418 1.00 52.23 H new ATOM 0 HG13 VAL A 99 9.671 -1.558 -26.739 1.00 52.23 H new ATOM 0 HG21 VAL A 99 10.624 -4.093 -25.261 1.00 40.02 H new ATOM 0 HG22 VAL A 99 9.141 -4.026 -26.243 1.00 40.02 H new ATOM 0 HG23 VAL A 99 10.387 -5.247 -26.594 1.00 40.02 H new ATOM 1579 N ASP A 100 12.559 -3.840 -29.494 1.00 60.53 N ATOM 1580 CA ASP A 100 13.587 -4.553 -30.245 1.00 11.44 C ATOM 1581 C ASP A 100 14.961 -4.347 -29.614 1.00 13.20 C ATOM 1582 O ASP A 100 15.344 -3.223 -29.292 1.00 14.31 O ATOM 1583 CB ASP A 100 13.604 -4.082 -31.700 1.00 24.02 C ATOM 1584 CG ASP A 100 12.382 -4.540 -32.471 1.00 41.10 C ATOM 1585 OD1 ASP A 100 12.318 -5.736 -32.826 1.00 13.30 O ATOM 1586 OD2 ASP A 100 11.490 -3.703 -32.719 1.00 14.31 O ATOM 0 H ASP A 100 12.893 -3.010 -29.004 1.00 60.53 H new ATOM 0 HA ASP A 100 13.351 -5.617 -30.219 1.00 11.44 H new ATOM 0 HB2 ASP A 100 13.660 -2.994 -31.726 1.00 24.02 H new ATOM 0 HB3 ASP A 100 14.502 -4.459 -32.190 1.00 24.02 H new ATOM 1591 N GLU A 101 15.696 -5.440 -29.440 1.00 63.42 N ATOM 1592 CA GLU A 101 17.027 -5.379 -28.846 1.00 54.11 C ATOM 1593 C GLU A 101 18.107 -5.500 -29.917 1.00 51.31 C ATOM 1594 O GLU A 101 19.068 -6.252 -29.762 1.00 22.11 O ATOM 1595 CB GLU A 101 17.197 -6.489 -27.807 1.00 0.12 C ATOM 1596 CG GLU A 101 18.509 -6.413 -27.045 1.00 2.34 C ATOM 1597 CD GLU A 101 19.345 -7.669 -27.195 1.00 41.00 C ATOM 1598 OE1 GLU A 101 18.756 -8.765 -27.298 1.00 63.23 O ATOM 1599 OE2 GLU A 101 20.589 -7.555 -27.210 1.00 13.02 O ATOM 0 H GLU A 101 15.393 -6.378 -29.702 1.00 63.42 H new ATOM 0 HA GLU A 101 17.134 -4.412 -28.355 1.00 54.11 H new ATOM 0 HB2 GLU A 101 16.371 -6.441 -27.097 1.00 0.12 H new ATOM 0 HB3 GLU A 101 17.132 -7.456 -28.306 1.00 0.12 H new ATOM 0 HG2 GLU A 101 19.081 -5.556 -27.399 1.00 2.34 H new ATOM 0 HG3 GLU A 101 18.302 -6.243 -25.988 1.00 2.34 H new ATOM 1606 N ALA A 102 17.940 -4.753 -31.004 1.00 63.30 N ATOM 1607 CA ALA A 102 18.901 -4.775 -32.100 1.00 53.02 C ATOM 1608 C ALA A 102 19.426 -3.375 -32.397 1.00 45.33 C ATOM 1609 O ALA A 102 20.179 -2.803 -31.607 1.00 60.32 O ATOM 1610 CB ALA A 102 18.267 -5.378 -33.345 1.00 62.12 C ATOM 0 H ALA A 102 17.149 -4.126 -31.149 1.00 63.30 H new ATOM 0 HA ALA A 102 19.745 -5.395 -31.799 1.00 53.02 H new ATOM 0 HB1 ALA A 102 18.996 -5.388 -34.156 1.00 62.12 H new ATOM 0 HB2 ALA A 102 17.946 -6.398 -33.132 1.00 62.12 H new ATOM 0 HB3 ALA A 102 17.404 -4.780 -33.640 1.00 62.12 H new