USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=11 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= -3.98! C(o=-4!,f=-2.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -150:sc= -0.631 USER MOD Single : A 26 SER OG : rot -17:sc= 0.359! USER MOD Single : A 31 HIS : no HE2:sc= -4.52! C(o=-4.5!,f=-7.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -2.4! K(o=-2.4!,f=-1.2) USER MOD Single : A 38 MET CE :methyl 159:sc= -1.81 (180deg=-3.16!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 47 SER OG : rot 29:sc= 0.437 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.3!) USER MOD Single : A 64 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.27) 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= -0.597 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= -0.119 USER MOD Single : A 88 GLN : amide:sc= -1.39 K(o=-1.4,f=0.29) USER MOD Single : A 90 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.0088) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 3 6.397 -1.352 -3.750 1.00 54.14 N ATOM 38 CA ALA A 3 7.110 -1.198 -5.012 1.00 2.30 C ATOM 39 C ALA A 3 6.153 -0.837 -6.143 1.00 64.24 C ATOM 40 O ALA A 3 5.024 -1.323 -6.212 1.00 63.25 O ATOM 41 CB ALA A 3 7.871 -2.472 -5.347 1.00 73.12 C ATOM 0 HA ALA A 3 7.823 -0.381 -4.901 1.00 2.30 H new ATOM 0 HB1 ALA A 3 8.399 -2.343 -6.292 1.00 73.12 H new ATOM 0 HB2 ALA A 3 8.590 -2.685 -4.556 1.00 73.12 H new ATOM 0 HB3 ALA A 3 7.170 -3.302 -5.433 1.00 73.12 H new ATOM 47 N PRO A 4 6.613 0.036 -7.052 1.00 73.11 N ATOM 48 CA PRO A 4 5.813 0.481 -8.197 1.00 72.01 C ATOM 49 C PRO A 4 5.603 -0.627 -9.224 1.00 21.05 C ATOM 50 O PRO A 4 6.244 -1.677 -9.178 1.00 71.44 O ATOM 51 CB PRO A 4 6.650 1.613 -8.796 1.00 44.42 C ATOM 52 CG PRO A 4 8.049 1.310 -8.382 1.00 70.02 C ATOM 53 CD PRO A 4 7.948 0.655 -7.032 1.00 44.42 C ATOM 0 HA PRO A 4 4.810 0.786 -7.899 1.00 72.01 H new ATOM 0 HB2 PRO A 4 6.556 1.643 -9.882 1.00 44.42 H new ATOM 0 HB3 PRO A 4 6.328 2.585 -8.421 1.00 44.42 H new ATOM 0 HG2 PRO A 4 8.535 0.650 -9.101 1.00 70.02 H new ATOM 0 HG3 PRO A 4 8.647 2.220 -8.331 1.00 70.02 H new ATOM 0 HD2 PRO A 4 8.733 -0.087 -6.886 1.00 44.42 H new ATOM 0 HD3 PRO A 4 8.042 1.382 -6.225 1.00 44.42 H new ATOM 61 N PRO A 5 4.685 -0.390 -10.172 1.00 42.13 N ATOM 62 CA PRO A 5 4.371 -1.356 -11.229 1.00 31.31 C ATOM 63 C PRO A 5 5.510 -1.510 -12.231 1.00 72.21 C ATOM 64 O PRO A 5 6.072 -0.522 -12.703 1.00 31.34 O ATOM 65 CB PRO A 5 3.139 -0.752 -11.908 1.00 3.24 C ATOM 66 CG PRO A 5 3.238 0.710 -11.639 1.00 10.21 C ATOM 67 CD PRO A 5 3.884 0.840 -10.287 1.00 52.11 C ATOM 0 HA PRO A 5 4.207 -2.357 -10.830 1.00 31.31 H new ATOM 0 HB2 PRO A 5 3.136 -0.958 -12.978 1.00 3.24 H new ATOM 0 HB3 PRO A 5 2.218 -1.168 -11.500 1.00 3.24 H new ATOM 0 HG2 PRO A 5 3.832 1.208 -12.405 1.00 10.21 H new ATOM 0 HG3 PRO A 5 2.253 1.176 -11.647 1.00 10.21 H new ATOM 0 HD2 PRO A 5 4.507 1.732 -10.223 1.00 52.11 H new ATOM 0 HD3 PRO A 5 3.142 0.912 -9.492 1.00 52.11 H new ATOM 75 N ALA A 6 5.845 -2.755 -12.553 1.00 34.53 N ATOM 76 CA ALA A 6 6.915 -3.038 -13.501 1.00 72.11 C ATOM 77 C ALA A 6 6.430 -2.884 -14.938 1.00 55.45 C ATOM 78 O ALA A 6 5.313 -3.281 -15.274 1.00 42.45 O ATOM 79 CB ALA A 6 7.464 -4.439 -13.275 1.00 40.11 C ATOM 0 H ALA A 6 5.390 -3.584 -12.171 1.00 34.53 H new ATOM 0 HA ALA A 6 7.714 -2.315 -13.335 1.00 72.11 H new ATOM 0 HB1 ALA A 6 8.262 -4.637 -13.990 1.00 40.11 H new ATOM 0 HB2 ALA A 6 7.857 -4.517 -12.261 1.00 40.11 H new ATOM 0 HB3 ALA A 6 6.666 -5.169 -13.411 1.00 40.11 H new ATOM 85 N THR A 7 7.275 -2.303 -15.785 1.00 30.34 N ATOM 86 CA THR A 7 6.932 -2.095 -17.186 1.00 15.45 C ATOM 87 C THR A 7 7.559 -3.166 -18.071 1.00 15.52 C ATOM 88 O THR A 7 8.564 -2.923 -18.739 1.00 43.52 O ATOM 89 CB THR A 7 7.388 -0.708 -17.675 1.00 45.53 C ATOM 90 OG1 THR A 7 6.942 0.305 -16.766 1.00 25.42 O ATOM 91 CG2 THR A 7 6.847 -0.420 -19.067 1.00 51.25 C ATOM 0 H THR A 7 8.202 -1.968 -15.524 1.00 30.34 H new ATOM 0 HA THR A 7 5.846 -2.159 -17.259 1.00 15.45 H new ATOM 0 HB THR A 7 8.477 -0.703 -17.717 1.00 45.53 H new ATOM 0 HG1 THR A 7 7.238 1.183 -17.084 1.00 25.42 H new ATOM 0 HG21 THR A 7 7.182 0.565 -19.391 1.00 51.25 H new ATOM 0 HG22 THR A 7 7.213 -1.175 -19.763 1.00 51.25 H new ATOM 0 HG23 THR A 7 5.757 -0.444 -19.046 1.00 51.25 H new ATOM 99 N LEU A 8 6.959 -4.351 -18.072 1.00 51.11 N ATOM 100 CA LEU A 8 7.459 -5.460 -18.877 1.00 74.20 C ATOM 101 C LEU A 8 7.068 -5.290 -20.342 1.00 1.54 C ATOM 102 O LEU A 8 5.898 -5.417 -20.700 1.00 50.22 O ATOM 103 CB LEU A 8 6.916 -6.788 -18.344 1.00 43.41 C ATOM 104 CG LEU A 8 6.963 -6.971 -16.827 1.00 22.12 C ATOM 105 CD1 LEU A 8 5.651 -6.534 -16.195 1.00 54.55 C ATOM 106 CD2 LEU A 8 7.270 -8.419 -16.474 1.00 23.10 C ATOM 0 H LEU A 8 6.126 -4.569 -17.525 1.00 51.11 H new ATOM 0 HA LEU A 8 8.547 -5.465 -18.808 1.00 74.20 H new ATOM 0 HB2 LEU A 8 5.881 -6.892 -18.671 1.00 43.41 H new ATOM 0 HB3 LEU A 8 7.479 -7.599 -18.805 1.00 43.41 H new ATOM 0 HG LEU A 8 7.761 -6.343 -16.430 1.00 22.12 H new ATOM 0 HD11 LEU A 8 5.704 -6.672 -15.115 1.00 54.55 H new ATOM 0 HD12 LEU A 8 5.472 -5.482 -16.418 1.00 54.55 H new ATOM 0 HD13 LEU A 8 4.835 -7.134 -16.598 1.00 54.55 H new ATOM 0 HD21 LEU A 8 7.300 -8.531 -15.390 1.00 23.10 H new ATOM 0 HD22 LEU A 8 6.495 -9.066 -16.885 1.00 23.10 H new ATOM 0 HD23 LEU A 8 8.236 -8.699 -16.894 1.00 23.10 H new ATOM 118 N GLU A 9 8.057 -5.003 -21.183 1.00 12.22 N ATOM 119 CA GLU A 9 7.816 -4.816 -22.609 1.00 34.52 C ATOM 120 C GLU A 9 7.701 -6.161 -23.322 1.00 2.05 C ATOM 121 O GLU A 9 7.600 -7.208 -22.682 1.00 44.43 O ATOM 122 CB GLU A 9 8.940 -3.989 -23.235 1.00 0.10 C ATOM 123 CG GLU A 9 9.149 -2.641 -22.566 1.00 12.13 C ATOM 124 CD GLU A 9 8.710 -1.482 -23.439 1.00 45.35 C ATOM 125 OE1 GLU A 9 7.559 -1.504 -23.923 1.00 24.32 O ATOM 126 OE2 GLU A 9 9.519 -0.551 -23.639 1.00 64.34 O ATOM 0 H GLU A 9 9.032 -4.895 -20.902 1.00 12.22 H new ATOM 0 HA GLU A 9 6.874 -4.281 -22.725 1.00 34.52 H new ATOM 0 HB2 GLU A 9 9.869 -4.557 -23.186 1.00 0.10 H new ATOM 0 HB3 GLU A 9 8.719 -3.831 -24.291 1.00 0.10 H new ATOM 0 HG2 GLU A 9 8.594 -2.615 -21.628 1.00 12.13 H new ATOM 0 HG3 GLU A 9 10.203 -2.523 -22.316 1.00 12.13 H new ATOM 133 N ALA A 10 7.717 -6.123 -24.650 1.00 22.01 N ATOM 134 CA ALA A 10 7.617 -7.337 -25.450 1.00 72.30 C ATOM 135 C ALA A 10 8.657 -7.348 -26.565 1.00 4.23 C ATOM 136 O ALA A 10 8.356 -7.013 -27.711 1.00 3.54 O ATOM 137 CB ALA A 10 6.217 -7.472 -26.031 1.00 20.41 C ATOM 0 H ALA A 10 7.798 -5.264 -25.195 1.00 22.01 H new ATOM 0 HA ALA A 10 7.813 -8.189 -24.798 1.00 72.30 H new ATOM 0 HB1 ALA A 10 6.156 -8.383 -26.626 1.00 20.41 H new ATOM 0 HB2 ALA A 10 5.490 -7.519 -25.221 1.00 20.41 H new ATOM 0 HB3 ALA A 10 6.001 -6.611 -26.663 1.00 20.41 H new ATOM 143 N ILE A 11 9.882 -7.734 -26.221 1.00 54.32 N ATOM 144 CA ILE A 11 10.966 -7.788 -27.194 1.00 10.23 C ATOM 145 C ILE A 11 10.773 -8.945 -28.168 1.00 41.54 C ATOM 146 O ILE A 11 9.874 -9.769 -28.000 1.00 25.52 O ATOM 147 CB ILE A 11 12.335 -7.936 -26.503 1.00 54.11 C ATOM 148 CG1 ILE A 11 12.437 -6.977 -25.315 1.00 45.24 C ATOM 149 CG2 ILE A 11 13.459 -7.681 -27.496 1.00 0.03 C ATOM 150 CD1 ILE A 11 12.624 -5.531 -25.720 1.00 71.34 C ATOM 0 H ILE A 11 10.148 -8.014 -25.277 1.00 54.32 H new ATOM 0 HA ILE A 11 10.945 -6.847 -27.743 1.00 10.23 H new ATOM 0 HB ILE A 11 12.430 -8.956 -26.131 1.00 54.11 H new ATOM 0 HG12 ILE A 11 11.534 -7.063 -24.711 1.00 45.24 H new ATOM 0 HG13 ILE A 11 13.273 -7.280 -24.684 1.00 45.24 H new ATOM 0 HG21 ILE A 11 14.420 -7.789 -26.993 1.00 0.03 H new ATOM 0 HG22 ILE A 11 13.393 -8.400 -28.312 1.00 0.03 H new ATOM 0 HG23 ILE A 11 13.370 -6.671 -27.895 1.00 0.03 H new ATOM 0 HD11 ILE A 11 12.688 -4.909 -24.827 1.00 71.34 H new ATOM 0 HD12 ILE A 11 13.542 -5.431 -26.299 1.00 71.34 H new ATOM 0 HD13 ILE A 11 11.776 -5.210 -26.326 1.00 71.34 H new ATOM 162 N HIS A 12 11.624 -9.000 -29.188 1.00 60.12 N ATOM 163 CA HIS A 12 11.549 -10.058 -30.190 1.00 1.04 C ATOM 164 C HIS A 12 11.584 -11.434 -29.530 1.00 55.54 C ATOM 165 O HIS A 12 11.802 -11.566 -28.326 1.00 63.32 O ATOM 166 CB HIS A 12 12.701 -9.928 -31.186 1.00 62.23 C ATOM 167 CG HIS A 12 12.263 -9.513 -32.557 1.00 64.12 C ATOM 168 ND1 HIS A 12 13.090 -8.859 -33.445 1.00 45.35 N ATOM 169 CD2 HIS A 12 11.077 -9.664 -33.191 1.00 62.33 C ATOM 170 CE1 HIS A 12 12.432 -8.624 -34.566 1.00 55.21 C ATOM 171 NE2 HIS A 12 11.207 -9.103 -34.438 1.00 24.21 N ATOM 0 H HIS A 12 12.373 -8.325 -29.342 1.00 60.12 H new ATOM 0 HA HIS A 12 10.604 -9.954 -30.723 1.00 1.04 H new ATOM 0 HB2 HIS A 12 13.418 -9.200 -30.807 1.00 62.23 H new ATOM 0 HB3 HIS A 12 13.222 -10.883 -31.253 1.00 62.23 H new ATOM 0 HD2 HIS A 12 10.193 -10.138 -32.791 1.00 62.33 H new ATOM 0 HE1 HIS A 12 12.828 -8.125 -35.438 1.00 55.21 H new ATOM 0 HE2 HIS A 12 10.477 -9.063 -35.149 1.00 24.21 H new ATOM 179 N PRO A 13 11.362 -12.482 -30.337 1.00 32.44 N ATOM 180 CA PRO A 13 11.362 -13.866 -29.853 1.00 61.32 C ATOM 181 C PRO A 13 12.756 -14.341 -29.456 1.00 74.31 C ATOM 182 O PRO A 13 13.016 -15.542 -29.383 1.00 64.44 O ATOM 183 CB PRO A 13 10.848 -14.662 -31.056 1.00 23.14 C ATOM 184 CG PRO A 13 11.196 -13.827 -32.239 1.00 41.02 C ATOM 185 CD PRO A 13 11.094 -12.398 -31.782 1.00 62.11 C ATOM 0 HA PRO A 13 10.755 -13.984 -28.955 1.00 61.32 H new ATOM 0 HB2 PRO A 13 11.319 -15.643 -31.112 1.00 23.14 H new ATOM 0 HB3 PRO A 13 9.773 -14.828 -30.991 1.00 23.14 H new ATOM 0 HG2 PRO A 13 12.202 -14.052 -32.593 1.00 41.02 H new ATOM 0 HG3 PRO A 13 10.515 -14.021 -33.068 1.00 41.02 H new ATOM 0 HD2 PRO A 13 11.819 -11.761 -32.289 1.00 62.11 H new ATOM 0 HD3 PRO A 13 10.107 -11.981 -31.984 1.00 62.11 H new ATOM 193 N LYS A 14 13.649 -13.391 -29.199 1.00 74.54 N ATOM 194 CA LYS A 14 15.016 -13.712 -28.808 1.00 10.14 C ATOM 195 C LYS A 14 15.411 -12.956 -27.543 1.00 31.01 C ATOM 196 O LYS A 14 16.589 -12.692 -27.308 1.00 64.32 O ATOM 197 CB LYS A 14 15.986 -13.372 -29.941 1.00 61.34 C ATOM 198 CG LYS A 14 16.021 -11.894 -30.290 1.00 31.41 C ATOM 199 CD LYS A 14 17.268 -11.537 -31.082 1.00 35.50 C ATOM 200 CE LYS A 14 16.917 -10.991 -32.457 1.00 55.23 C ATOM 201 NZ LYS A 14 17.239 -11.962 -33.539 1.00 45.11 N ATOM 0 H LYS A 14 13.450 -12.392 -29.255 1.00 74.54 H new ATOM 0 HA LYS A 14 15.067 -14.781 -28.603 1.00 10.14 H new ATOM 0 HB2 LYS A 14 16.988 -13.694 -29.658 1.00 61.34 H new ATOM 0 HB3 LYS A 14 15.708 -13.940 -30.829 1.00 61.34 H new ATOM 0 HG2 LYS A 14 15.135 -11.635 -30.869 1.00 31.41 H new ATOM 0 HG3 LYS A 14 15.988 -11.302 -29.375 1.00 31.41 H new ATOM 0 HD2 LYS A 14 17.850 -10.797 -30.533 1.00 35.50 H new ATOM 0 HD3 LYS A 14 17.897 -12.420 -31.190 1.00 35.50 H new ATOM 0 HE2 LYS A 14 15.855 -10.749 -32.491 1.00 55.23 H new ATOM 0 HE3 LYS A 14 17.461 -10.062 -32.629 1.00 55.23 H new ATOM 0 HZ1 LYS A 14 16.985 -11.552 -34.460 1.00 45.11 H new ATOM 0 HZ2 LYS A 14 18.257 -12.174 -33.523 1.00 45.11 H new ATOM 0 HZ3 LYS A 14 16.700 -12.839 -33.390 1.00 45.11 H new ATOM 215 N GLY A 15 14.417 -12.611 -26.730 1.00 32.11 N ATOM 216 CA GLY A 15 14.682 -11.890 -25.499 1.00 34.34 C ATOM 217 C GLY A 15 13.494 -11.066 -25.043 1.00 3.33 C ATOM 218 O GLY A 15 12.435 -11.089 -25.671 1.00 10.51 O ATOM 0 H GLY A 15 13.433 -12.818 -26.902 1.00 32.11 H new ATOM 0 HA2 GLY A 15 14.950 -12.600 -24.716 1.00 34.34 H new ATOM 0 HA3 GLY A 15 15.541 -11.235 -25.643 1.00 34.34 H new ATOM 222 N LEU A 16 13.669 -10.336 -23.946 1.00 73.32 N ATOM 223 CA LEU A 16 12.602 -9.501 -23.405 1.00 30.31 C ATOM 224 C LEU A 16 13.176 -8.313 -22.640 1.00 34.24 C ATOM 225 O LEU A 16 14.367 -8.277 -22.333 1.00 3.33 O ATOM 226 CB LEU A 16 11.698 -10.326 -22.487 1.00 3.15 C ATOM 227 CG LEU A 16 10.420 -9.637 -22.007 1.00 42.25 C ATOM 228 CD1 LEU A 16 9.634 -9.090 -23.189 1.00 13.13 C ATOM 229 CD2 LEU A 16 9.566 -10.601 -21.196 1.00 45.43 C ATOM 0 H LEU A 16 14.539 -10.306 -23.414 1.00 73.32 H new ATOM 0 HA LEU A 16 12.012 -9.121 -24.239 1.00 30.31 H new ATOM 0 HB2 LEU A 16 11.419 -11.240 -23.011 1.00 3.15 H new ATOM 0 HB3 LEU A 16 12.277 -10.624 -21.613 1.00 3.15 H new ATOM 0 HG LEU A 16 10.699 -8.802 -21.364 1.00 42.25 H new ATOM 0 HD11 LEU A 16 8.728 -8.603 -22.829 1.00 13.13 H new ATOM 0 HD12 LEU A 16 10.245 -8.366 -23.729 1.00 13.13 H new ATOM 0 HD13 LEU A 16 9.365 -9.908 -23.857 1.00 13.13 H new ATOM 0 HD21 LEU A 16 8.661 -10.093 -20.863 1.00 45.43 H new ATOM 0 HD22 LEU A 16 9.295 -11.456 -21.815 1.00 45.43 H new ATOM 0 HD23 LEU A 16 10.129 -10.945 -20.329 1.00 45.43 H new ATOM 241 N ARG A 17 12.319 -7.344 -22.333 1.00 22.32 N ATOM 242 CA ARG A 17 12.741 -6.155 -21.602 1.00 73.12 C ATOM 243 C ARG A 17 11.778 -5.851 -20.458 1.00 4.51 C ATOM 244 O ARG A 17 10.560 -5.922 -20.621 1.00 43.44 O ATOM 245 CB ARG A 17 12.824 -4.954 -22.546 1.00 4.22 C ATOM 246 CG ARG A 17 13.306 -3.681 -21.870 1.00 5.23 C ATOM 247 CD ARG A 17 13.555 -2.573 -22.881 1.00 41.31 C ATOM 248 NE ARG A 17 14.320 -1.469 -22.307 1.00 21.11 N ATOM 249 CZ ARG A 17 14.826 -0.473 -23.026 1.00 15.13 C ATOM 250 NH1 ARG A 17 14.647 -0.442 -24.339 1.00 44.02 N ATOM 251 NH2 ARG A 17 15.510 0.495 -22.431 1.00 3.44 N ATOM 0 H ARG A 17 11.329 -7.359 -22.579 1.00 22.32 H new ATOM 0 HA ARG A 17 13.728 -6.347 -21.182 1.00 73.12 H new ATOM 0 HB2 ARG A 17 13.496 -5.195 -23.369 1.00 4.22 H new ATOM 0 HB3 ARG A 17 11.840 -4.775 -22.980 1.00 4.22 H new ATOM 0 HG2 ARG A 17 12.565 -3.351 -21.142 1.00 5.23 H new ATOM 0 HG3 ARG A 17 14.224 -3.885 -21.319 1.00 5.23 H new ATOM 0 HD2 ARG A 17 14.092 -2.979 -23.738 1.00 41.31 H new ATOM 0 HD3 ARG A 17 12.600 -2.199 -23.251 1.00 41.31 H new ATOM 0 HE ARG A 17 14.474 -1.462 -21.299 1.00 21.11 H new ATOM 0 HH11 ARG A 17 14.120 -1.184 -24.799 1.00 44.02 H new ATOM 0 HH12 ARG A 17 15.036 0.324 -24.889 1.00 44.02 H new ATOM 0 HH21 ARG A 17 15.648 0.475 -21.421 1.00 3.44 H new ATOM 0 HH22 ARG A 17 15.898 1.259 -22.984 1.00 3.44 H new ATOM 265 N VAL A 18 12.334 -5.512 -19.299 1.00 12.53 N ATOM 266 CA VAL A 18 11.526 -5.196 -18.127 1.00 54.41 C ATOM 267 C VAL A 18 12.175 -4.099 -17.291 1.00 51.51 C ATOM 268 O VAL A 18 13.201 -4.319 -16.648 1.00 30.11 O ATOM 269 CB VAL A 18 11.308 -6.438 -17.244 1.00 21.34 C ATOM 270 CG1 VAL A 18 10.709 -6.042 -15.903 1.00 21.23 C ATOM 271 CG2 VAL A 18 10.421 -7.449 -17.955 1.00 43.12 C ATOM 0 H VAL A 18 13.341 -5.449 -19.147 1.00 12.53 H new ATOM 0 HA VAL A 18 10.561 -4.846 -18.493 1.00 54.41 H new ATOM 0 HB VAL A 18 12.276 -6.904 -17.059 1.00 21.34 H new ATOM 0 HG11 VAL A 18 10.562 -6.933 -15.293 1.00 21.23 H new ATOM 0 HG12 VAL A 18 11.385 -5.358 -15.390 1.00 21.23 H new ATOM 0 HG13 VAL A 18 9.750 -5.550 -16.064 1.00 21.23 H new ATOM 0 HG21 VAL A 18 10.278 -8.320 -17.316 1.00 43.12 H new ATOM 0 HG22 VAL A 18 9.454 -6.995 -18.172 1.00 43.12 H new ATOM 0 HG23 VAL A 18 10.895 -7.757 -18.887 1.00 43.12 H new ATOM 281 N SER A 19 11.570 -2.915 -17.305 1.00 33.23 N ATOM 282 CA SER A 19 12.091 -1.781 -16.550 1.00 73.41 C ATOM 283 C SER A 19 11.053 -1.267 -15.557 1.00 22.03 C ATOM 284 O SER A 19 9.857 -1.519 -15.704 1.00 23.52 O ATOM 285 CB SER A 19 12.505 -0.656 -17.500 1.00 62.44 C ATOM 286 OG SER A 19 12.688 0.562 -16.800 1.00 24.44 O ATOM 0 H SER A 19 10.719 -2.716 -17.831 1.00 33.23 H new ATOM 0 HA SER A 19 12.966 -2.117 -15.993 1.00 73.41 H new ATOM 0 HB2 SER A 19 13.429 -0.928 -18.010 1.00 62.44 H new ATOM 0 HB3 SER A 19 11.743 -0.526 -18.269 1.00 62.44 H new ATOM 0 HG SER A 19 12.480 1.314 -17.393 1.00 24.44 H new ATOM 292 N VAL A 20 11.520 -0.544 -14.544 1.00 44.41 N ATOM 293 CA VAL A 20 10.634 0.008 -13.526 1.00 5.10 C ATOM 294 C VAL A 20 11.099 1.392 -13.085 1.00 35.31 C ATOM 295 O VAL A 20 12.285 1.719 -13.128 1.00 54.15 O ATOM 296 CB VAL A 20 10.555 -0.912 -12.293 1.00 52.21 C ATOM 297 CG1 VAL A 20 10.225 -2.337 -12.710 1.00 51.24 C ATOM 298 CG2 VAL A 20 11.858 -0.865 -11.509 1.00 74.11 C ATOM 0 H VAL A 20 12.507 -0.327 -14.406 1.00 44.41 H new ATOM 0 HA VAL A 20 9.644 0.087 -13.976 1.00 5.10 H new ATOM 0 HB VAL A 20 9.755 -0.554 -11.645 1.00 52.21 H new ATOM 0 HG11 VAL A 20 10.173 -2.972 -11.826 1.00 51.24 H new ATOM 0 HG12 VAL A 20 9.264 -2.352 -13.224 1.00 51.24 H new ATOM 0 HG13 VAL A 20 11.001 -2.709 -13.379 1.00 51.24 H new ATOM 0 HG21 VAL A 20 11.784 -1.521 -10.641 1.00 74.11 H new ATOM 0 HG22 VAL A 20 12.678 -1.197 -12.146 1.00 74.11 H new ATOM 0 HG23 VAL A 20 12.046 0.156 -11.177 1.00 74.11 H new ATOM 308 N PRO A 21 10.142 2.225 -12.649 1.00 4.31 N ATOM 309 CA PRO A 21 10.429 3.588 -12.190 1.00 30.30 C ATOM 310 C PRO A 21 11.186 3.606 -10.866 1.00 52.33 C ATOM 311 O PRO A 21 10.713 3.073 -9.862 1.00 40.15 O ATOM 312 CB PRO A 21 9.038 4.204 -12.020 1.00 4.44 C ATOM 313 CG PRO A 21 8.137 3.044 -11.776 1.00 74.11 C ATOM 314 CD PRO A 21 8.708 1.902 -12.570 1.00 20.32 C ATOM 0 HA PRO A 21 11.067 4.129 -12.889 1.00 30.30 H new ATOM 0 HB2 PRO A 21 9.015 4.905 -11.186 1.00 4.44 H new ATOM 0 HB3 PRO A 21 8.739 4.757 -12.910 1.00 4.44 H new ATOM 0 HG2 PRO A 21 8.095 2.799 -10.715 1.00 74.11 H new ATOM 0 HG3 PRO A 21 7.118 3.268 -12.092 1.00 74.11 H new ATOM 0 HD2 PRO A 21 8.538 0.945 -12.077 1.00 20.32 H new ATOM 0 HD3 PRO A 21 8.256 1.835 -13.560 1.00 20.32 H new ATOM 322 N ASP A 22 12.362 4.223 -10.872 1.00 2.44 N ATOM 323 CA ASP A 22 13.184 4.313 -9.670 1.00 61.12 C ATOM 324 C ASP A 22 12.552 5.253 -8.649 1.00 5.35 C ATOM 325 O ASP A 22 12.011 6.299 -9.006 1.00 5.24 O ATOM 326 CB ASP A 22 14.592 4.795 -10.024 1.00 54.42 C ATOM 327 CG ASP A 22 15.386 5.211 -8.801 1.00 53.15 C ATOM 328 OD1 ASP A 22 14.999 6.205 -8.152 1.00 54.30 O ATOM 329 OD2 ASP A 22 16.394 4.542 -8.494 1.00 33.25 O ATOM 0 H ASP A 22 12.768 4.668 -11.695 1.00 2.44 H new ATOM 0 HA ASP A 22 13.250 3.318 -9.229 1.00 61.12 H new ATOM 0 HB2 ASP A 22 15.124 4.000 -10.546 1.00 54.42 H new ATOM 0 HB3 ASP A 22 14.522 5.637 -10.712 1.00 54.42 H new ATOM 334 N GLU A 23 12.625 4.872 -7.377 1.00 12.31 N ATOM 335 CA GLU A 23 12.058 5.681 -6.304 1.00 41.44 C ATOM 336 C GLU A 23 13.053 5.839 -5.158 1.00 34.53 C ATOM 337 O GLU A 23 12.675 6.174 -4.036 1.00 22.53 O ATOM 338 CB GLU A 23 10.764 5.050 -5.788 1.00 74.53 C ATOM 339 CG GLU A 23 9.512 5.809 -6.194 1.00 74.33 C ATOM 340 CD GLU A 23 8.545 6.000 -5.041 1.00 64.44 C ATOM 341 OE1 GLU A 23 7.863 5.022 -4.670 1.00 63.10 O ATOM 342 OE2 GLU A 23 8.472 7.128 -4.510 1.00 70.43 O ATOM 0 H GLU A 23 13.071 4.009 -7.065 1.00 12.31 H new ATOM 0 HA GLU A 23 11.835 6.669 -6.707 1.00 41.44 H new ATOM 0 HB2 GLU A 23 10.695 4.028 -6.159 1.00 74.53 H new ATOM 0 HB3 GLU A 23 10.807 4.992 -4.700 1.00 74.53 H new ATOM 0 HG2 GLU A 23 9.795 6.784 -6.591 1.00 74.33 H new ATOM 0 HG3 GLU A 23 9.010 5.271 -6.998 1.00 74.33 H new ATOM 349 N GLY A 24 14.327 5.593 -5.449 1.00 54.10 N ATOM 350 CA GLY A 24 15.356 5.712 -4.433 1.00 30.50 C ATOM 351 C GLY A 24 15.889 4.364 -3.988 1.00 13.25 C ATOM 352 O GLY A 24 16.654 4.278 -3.027 1.00 62.20 O ATOM 0 H GLY A 24 14.664 5.314 -6.370 1.00 54.10 H new ATOM 0 HA2 GLY A 24 16.178 6.314 -4.821 1.00 30.50 H new ATOM 0 HA3 GLY A 24 14.952 6.242 -3.571 1.00 30.50 H new ATOM 356 N PHE A 25 15.482 3.309 -4.685 1.00 64.25 N ATOM 357 CA PHE A 25 15.922 1.958 -4.355 1.00 13.32 C ATOM 358 C PHE A 25 17.443 1.851 -4.414 1.00 13.43 C ATOM 359 O PHE A 25 18.116 2.719 -4.970 1.00 13.45 O ATOM 360 CB PHE A 25 15.291 0.945 -5.312 1.00 15.10 C ATOM 361 CG PHE A 25 13.806 1.110 -5.466 1.00 14.22 C ATOM 362 CD1 PHE A 25 12.935 0.578 -4.529 1.00 22.45 C ATOM 363 CD2 PHE A 25 13.280 1.798 -6.548 1.00 61.40 C ATOM 364 CE1 PHE A 25 11.568 0.728 -4.667 1.00 1.11 C ATOM 365 CE2 PHE A 25 11.914 1.952 -6.691 1.00 62.34 C ATOM 366 CZ PHE A 25 11.057 1.415 -5.750 1.00 41.24 C ATOM 0 H PHE A 25 14.848 3.363 -5.482 1.00 64.25 H new ATOM 0 HA PHE A 25 15.599 1.737 -3.338 1.00 13.32 H new ATOM 0 HB2 PHE A 25 15.762 1.039 -6.290 1.00 15.10 H new ATOM 0 HB3 PHE A 25 15.501 -0.062 -4.952 1.00 15.10 H new ATOM 0 HD1 PHE A 25 13.329 0.039 -3.680 1.00 22.45 H new ATOM 0 HD2 PHE A 25 13.945 2.219 -7.288 1.00 61.40 H new ATOM 0 HE1 PHE A 25 10.901 0.308 -3.929 1.00 1.11 H new ATOM 0 HE2 PHE A 25 11.517 2.492 -7.538 1.00 62.34 H new ATOM 0 HZ PHE A 25 9.989 1.532 -5.861 1.00 41.24 H new ATOM 376 N SER A 26 17.978 0.781 -3.836 1.00 34.52 N ATOM 377 CA SER A 26 19.419 0.561 -3.818 1.00 41.22 C ATOM 378 C SER A 26 19.766 -0.815 -4.377 1.00 61.30 C ATOM 379 O SER A 26 20.927 -1.105 -4.670 1.00 30.13 O ATOM 380 CB SER A 26 19.959 0.697 -2.393 1.00 64.33 C ATOM 381 OG SER A 26 21.326 0.326 -2.328 1.00 75.45 O ATOM 0 H SER A 26 17.435 0.052 -3.373 1.00 34.52 H new ATOM 0 HA SER A 26 19.885 1.318 -4.449 1.00 41.22 H new ATOM 0 HB2 SER A 26 19.842 1.726 -2.053 1.00 64.33 H new ATOM 0 HB3 SER A 26 19.376 0.070 -1.718 1.00 64.33 H new ATOM 0 HG SER A 26 21.562 -0.195 -3.124 1.00 75.45 H new ATOM 387 N LEU A 27 18.752 -1.660 -4.523 1.00 34.44 N ATOM 388 CA LEU A 27 18.947 -3.008 -5.047 1.00 3.24 C ATOM 389 C LEU A 27 17.674 -3.525 -5.708 1.00 32.45 C ATOM 390 O LEU A 27 16.569 -3.296 -5.215 1.00 51.54 O ATOM 391 CB LEU A 27 19.375 -3.956 -3.924 1.00 55.54 C ATOM 392 CG LEU A 27 18.957 -5.418 -4.085 1.00 51.43 C ATOM 393 CD1 LEU A 27 17.454 -5.566 -3.909 1.00 54.22 C ATOM 394 CD2 LEU A 27 19.392 -5.950 -5.443 1.00 33.22 C ATOM 0 H LEU A 27 17.786 -1.436 -4.286 1.00 34.44 H new ATOM 0 HA LEU A 27 19.734 -2.968 -5.800 1.00 3.24 H new ATOM 0 HB2 LEU A 27 20.461 -3.917 -3.836 1.00 55.54 H new ATOM 0 HB3 LEU A 27 18.966 -3.583 -2.985 1.00 55.54 H new ATOM 0 HG LEU A 27 19.452 -6.005 -3.311 1.00 51.43 H new ATOM 0 HD11 LEU A 27 17.175 -6.613 -4.027 1.00 54.22 H new ATOM 0 HD12 LEU A 27 17.169 -5.225 -2.914 1.00 54.22 H new ATOM 0 HD13 LEU A 27 16.939 -4.967 -4.660 1.00 54.22 H new ATOM 0 HD21 LEU A 27 19.086 -6.992 -5.541 1.00 33.22 H new ATOM 0 HD22 LEU A 27 18.925 -5.360 -6.232 1.00 33.22 H new ATOM 0 HD23 LEU A 27 20.476 -5.880 -5.531 1.00 33.22 H new ATOM 406 N PHE A 28 17.836 -4.227 -6.824 1.00 61.13 N ATOM 407 CA PHE A 28 16.700 -4.779 -7.552 1.00 55.15 C ATOM 408 C PHE A 28 16.964 -6.226 -7.958 1.00 42.12 C ATOM 409 O PHE A 28 18.097 -6.600 -8.259 1.00 43.01 O ATOM 410 CB PHE A 28 16.404 -3.935 -8.794 1.00 71.22 C ATOM 411 CG PHE A 28 14.957 -3.555 -8.930 1.00 61.22 C ATOM 412 CD1 PHE A 28 13.981 -4.529 -9.065 1.00 61.31 C ATOM 413 CD2 PHE A 28 14.573 -2.224 -8.924 1.00 3.12 C ATOM 414 CE1 PHE A 28 12.649 -4.183 -9.190 1.00 72.21 C ATOM 415 CE2 PHE A 28 13.243 -1.872 -9.048 1.00 54.30 C ATOM 416 CZ PHE A 28 12.279 -2.852 -9.183 1.00 23.44 C ATOM 0 H PHE A 28 18.744 -4.427 -7.244 1.00 61.13 H new ATOM 0 HA PHE A 28 15.833 -4.758 -6.892 1.00 55.15 H new ATOM 0 HB2 PHE A 28 17.008 -3.028 -8.760 1.00 71.22 H new ATOM 0 HB3 PHE A 28 16.711 -4.489 -9.681 1.00 71.22 H new ATOM 0 HD1 PHE A 28 14.265 -5.571 -9.073 1.00 61.31 H new ATOM 0 HD2 PHE A 28 15.322 -1.453 -8.821 1.00 3.12 H new ATOM 0 HE1 PHE A 28 11.898 -4.952 -9.293 1.00 72.21 H new ATOM 0 HE2 PHE A 28 12.957 -0.831 -9.039 1.00 54.30 H new ATOM 0 HZ PHE A 28 11.239 -2.579 -9.283 1.00 23.44 H new ATOM 426 N ALA A 29 15.910 -7.035 -7.963 1.00 71.01 N ATOM 427 CA ALA A 29 16.027 -8.440 -8.333 1.00 30.13 C ATOM 428 C ALA A 29 14.938 -8.840 -9.323 1.00 2.13 C ATOM 429 O ALA A 29 13.800 -8.381 -9.227 1.00 73.15 O ATOM 430 CB ALA A 29 15.964 -9.319 -7.092 1.00 71.25 C ATOM 0 H ALA A 29 14.965 -6.741 -7.715 1.00 71.01 H new ATOM 0 HA ALA A 29 16.992 -8.583 -8.818 1.00 30.13 H new ATOM 0 HB1 ALA A 29 16.053 -10.366 -7.383 1.00 71.25 H new ATOM 0 HB2 ALA A 29 16.782 -9.059 -6.420 1.00 71.25 H new ATOM 0 HB3 ALA A 29 15.013 -9.163 -6.583 1.00 71.25 H new ATOM 436 N PHE A 30 15.295 -9.697 -10.274 1.00 2.05 N ATOM 437 CA PHE A 30 14.348 -10.157 -11.283 1.00 25.23 C ATOM 438 C PHE A 30 14.301 -11.682 -11.329 1.00 11.43 C ATOM 439 O PHE A 30 15.314 -12.339 -11.571 1.00 0.35 O ATOM 440 CB PHE A 30 14.729 -9.606 -12.658 1.00 53.24 C ATOM 441 CG PHE A 30 14.626 -8.110 -12.754 1.00 24.31 C ATOM 442 CD1 PHE A 30 15.350 -7.297 -11.897 1.00 21.02 C ATOM 443 CD2 PHE A 30 13.807 -7.518 -13.701 1.00 40.22 C ATOM 444 CE1 PHE A 30 15.257 -5.921 -11.982 1.00 40.22 C ATOM 445 CE2 PHE A 30 13.710 -6.142 -13.792 1.00 3.04 C ATOM 446 CZ PHE A 30 14.437 -5.342 -12.932 1.00 21.55 C ATOM 0 H PHE A 30 16.233 -10.087 -10.367 1.00 2.05 H new ATOM 0 HA PHE A 30 13.359 -9.788 -11.013 1.00 25.23 H new ATOM 0 HB2 PHE A 30 15.750 -9.908 -12.891 1.00 53.24 H new ATOM 0 HB3 PHE A 30 14.084 -10.056 -13.412 1.00 53.24 H new ATOM 0 HD1 PHE A 30 15.994 -7.744 -11.154 1.00 21.02 H new ATOM 0 HD2 PHE A 30 13.237 -8.139 -14.377 1.00 40.22 H new ATOM 0 HE1 PHE A 30 15.825 -5.298 -11.306 1.00 40.22 H new ATOM 0 HE2 PHE A 30 13.067 -5.693 -14.534 1.00 3.04 H new ATOM 0 HZ PHE A 30 14.365 -4.267 -13.002 1.00 21.55 H new ATOM 456 N HIS A 31 13.117 -12.238 -11.094 1.00 73.23 N ATOM 457 CA HIS A 31 12.936 -13.685 -11.109 1.00 32.42 C ATOM 458 C HIS A 31 11.502 -14.050 -11.483 1.00 65.14 C ATOM 459 O HIS A 31 10.623 -14.113 -10.625 1.00 60.45 O ATOM 460 CB HIS A 31 13.285 -14.278 -9.743 1.00 52.12 C ATOM 461 CG HIS A 31 14.416 -15.259 -9.787 1.00 75.13 C ATOM 462 ND1 HIS A 31 14.306 -16.508 -10.362 1.00 45.33 N ATOM 463 CD2 HIS A 31 15.684 -15.169 -9.325 1.00 25.01 C ATOM 464 CE1 HIS A 31 15.459 -17.144 -10.250 1.00 51.22 C ATOM 465 NE2 HIS A 31 16.312 -16.353 -9.625 1.00 2.02 N ATOM 0 H HIS A 31 12.269 -11.709 -10.891 1.00 73.23 H new ATOM 0 HA HIS A 31 13.606 -14.102 -11.861 1.00 32.42 H new ATOM 0 HB2 HIS A 31 13.543 -13.469 -9.060 1.00 52.12 H new ATOM 0 HB3 HIS A 31 12.403 -14.771 -9.334 1.00 52.12 H new ATOM 0 HD1 HIS A 31 13.466 -16.882 -10.804 1.00 45.33 H new ATOM 0 HD2 HIS A 31 16.121 -14.323 -8.815 1.00 25.01 H new ATOM 0 HE1 HIS A 31 15.668 -18.141 -10.609 1.00 51.22 H new ATOM 473 N GLY A 32 11.275 -14.288 -12.772 1.00 33.34 N ATOM 474 CA GLY A 32 9.947 -14.643 -13.237 1.00 15.40 C ATOM 475 C GLY A 32 9.980 -15.617 -14.397 1.00 74.24 C ATOM 476 O GLY A 32 11.051 -15.978 -14.886 1.00 11.55 O ATOM 0 H GLY A 32 11.987 -14.241 -13.501 1.00 33.34 H new ATOM 0 HA2 GLY A 32 9.383 -15.082 -12.414 1.00 15.40 H new ATOM 0 HA3 GLY A 32 9.418 -13.739 -13.540 1.00 15.40 H new ATOM 480 N LYS A 33 8.803 -16.047 -14.841 1.00 20.25 N ATOM 481 CA LYS A 33 8.700 -16.987 -15.951 1.00 11.33 C ATOM 482 C LYS A 33 7.643 -16.531 -16.952 1.00 65.44 C ATOM 483 O LYS A 33 7.205 -15.381 -16.928 1.00 11.42 O ATOM 484 CB LYS A 33 8.357 -18.385 -15.432 1.00 61.12 C ATOM 485 CG LYS A 33 9.060 -18.742 -14.134 1.00 0.42 C ATOM 486 CD LYS A 33 8.083 -19.271 -13.098 1.00 32.22 C ATOM 487 CE LYS A 33 7.639 -20.689 -13.424 1.00 54.20 C ATOM 488 NZ LYS A 33 8.421 -21.704 -12.665 1.00 14.41 N ATOM 0 H LYS A 33 7.907 -15.759 -14.448 1.00 20.25 H new ATOM 0 HA LYS A 33 9.665 -17.021 -16.457 1.00 11.33 H new ATOM 0 HB2 LYS A 33 7.279 -18.453 -15.282 1.00 61.12 H new ATOM 0 HB3 LYS A 33 8.621 -19.120 -16.192 1.00 61.12 H new ATOM 0 HG2 LYS A 33 9.827 -19.492 -14.329 1.00 0.42 H new ATOM 0 HG3 LYS A 33 9.568 -17.862 -13.740 1.00 0.42 H new ATOM 0 HD2 LYS A 33 8.550 -19.252 -12.113 1.00 32.22 H new ATOM 0 HD3 LYS A 33 7.212 -18.618 -13.051 1.00 32.22 H new ATOM 0 HE2 LYS A 33 6.580 -20.800 -13.193 1.00 54.20 H new ATOM 0 HE3 LYS A 33 7.753 -20.868 -14.493 1.00 54.20 H new ATOM 0 HZ1 LYS A 33 8.088 -22.657 -12.915 1.00 14.41 H new ATOM 0 HZ2 LYS A 33 9.429 -21.616 -12.904 1.00 14.41 H new ATOM 0 HZ3 LYS A 33 8.293 -21.549 -11.645 1.00 14.41 H new ATOM 502 N LEU A 34 7.238 -17.441 -17.832 1.00 13.24 N ATOM 503 CA LEU A 34 6.231 -17.133 -18.841 1.00 73.03 C ATOM 504 C LEU A 34 5.186 -18.241 -18.924 1.00 61.42 C ATOM 505 O LEU A 34 5.499 -19.417 -18.742 1.00 73.22 O ATOM 506 CB LEU A 34 6.892 -16.937 -20.206 1.00 43.15 C ATOM 507 CG LEU A 34 5.969 -16.494 -21.342 1.00 62.33 C ATOM 508 CD1 LEU A 34 5.944 -14.977 -21.449 1.00 62.55 C ATOM 509 CD2 LEU A 34 6.408 -17.117 -22.660 1.00 2.33 C ATOM 0 H LEU A 34 7.591 -18.397 -17.867 1.00 13.24 H new ATOM 0 HA LEU A 34 5.731 -16.209 -18.550 1.00 73.03 H new ATOM 0 HB2 LEU A 34 7.685 -16.197 -20.100 1.00 43.15 H new ATOM 0 HB3 LEU A 34 7.367 -17.875 -20.495 1.00 43.15 H new ATOM 0 HG LEU A 34 4.959 -16.838 -21.119 1.00 62.33 H new ATOM 0 HD11 LEU A 34 5.282 -14.681 -22.263 1.00 62.55 H new ATOM 0 HD12 LEU A 34 5.581 -14.552 -20.513 1.00 62.55 H new ATOM 0 HD13 LEU A 34 6.951 -14.610 -21.648 1.00 62.55 H new ATOM 0 HD21 LEU A 34 5.740 -16.791 -23.457 1.00 2.33 H new ATOM 0 HD22 LEU A 34 7.426 -16.804 -22.889 1.00 2.33 H new ATOM 0 HD23 LEU A 34 6.372 -18.203 -22.579 1.00 2.33 H new ATOM 521 N ASN A 35 3.944 -17.858 -19.202 1.00 44.42 N ATOM 522 CA ASN A 35 2.853 -18.819 -19.311 1.00 64.32 C ATOM 523 C ASN A 35 2.838 -19.762 -18.112 1.00 71.51 C ATOM 524 O ASN A 35 2.322 -20.876 -18.193 1.00 74.44 O ATOM 525 CB ASN A 35 2.983 -19.624 -20.606 1.00 31.42 C ATOM 526 CG ASN A 35 2.347 -18.922 -21.790 1.00 15.14 C ATOM 527 OD1 ASN A 35 1.150 -19.067 -22.042 1.00 65.54 O ATOM 528 ND2 ASN A 35 3.146 -18.155 -22.522 1.00 12.01 N ATOM 0 H ASN A 35 3.668 -16.888 -19.356 1.00 44.42 H new ATOM 0 HA ASN A 35 1.914 -18.266 -19.328 1.00 64.32 H new ATOM 0 HB2 ASN A 35 4.038 -19.801 -20.816 1.00 31.42 H new ATOM 0 HB3 ASN A 35 2.516 -20.600 -20.472 1.00 31.42 H new ATOM 0 HD21 ASN A 35 2.774 -17.656 -23.330 1.00 12.01 H new ATOM 0 HD22 ASN A 35 4.132 -18.064 -22.276 1.00 12.01 H new ATOM 535 N GLU A 36 3.407 -19.307 -17.000 1.00 60.03 N ATOM 536 CA GLU A 36 3.458 -20.111 -15.785 1.00 4.22 C ATOM 537 C GLU A 36 3.778 -19.242 -14.571 1.00 71.34 C ATOM 538 O GLU A 36 4.616 -18.344 -14.642 1.00 62.31 O ATOM 539 CB GLU A 36 4.505 -21.218 -15.923 1.00 23.21 C ATOM 540 CG GLU A 36 4.530 -22.182 -14.748 1.00 44.15 C ATOM 541 CD GLU A 36 3.786 -23.471 -15.036 1.00 63.50 C ATOM 542 OE1 GLU A 36 4.289 -24.277 -15.847 1.00 30.51 O ATOM 543 OE2 GLU A 36 2.702 -23.675 -14.451 1.00 41.30 O ATOM 0 H GLU A 36 3.839 -18.387 -16.916 1.00 60.03 H new ATOM 0 HA GLU A 36 2.478 -20.564 -15.638 1.00 4.22 H new ATOM 0 HB2 GLU A 36 4.311 -21.778 -16.838 1.00 23.21 H new ATOM 0 HB3 GLU A 36 5.490 -20.764 -16.030 1.00 23.21 H new ATOM 0 HG2 GLU A 36 5.565 -22.413 -14.494 1.00 44.15 H new ATOM 0 HG3 GLU A 36 4.088 -21.699 -13.877 1.00 44.15 H new ATOM 550 N GLU A 37 3.103 -19.517 -13.460 1.00 34.22 N ATOM 551 CA GLU A 37 3.314 -18.760 -12.232 1.00 35.14 C ATOM 552 C GLU A 37 4.013 -19.615 -11.179 1.00 32.13 C ATOM 553 O GLU A 37 4.078 -20.838 -11.301 1.00 3.13 O ATOM 554 CB GLU A 37 1.979 -18.249 -11.685 1.00 74.43 C ATOM 555 CG GLU A 37 0.979 -19.355 -11.390 1.00 1.14 C ATOM 556 CD GLU A 37 -0.054 -18.946 -10.358 1.00 34.31 C ATOM 557 OE1 GLU A 37 -0.835 -18.012 -10.638 1.00 65.13 O ATOM 558 OE2 GLU A 37 -0.083 -19.560 -9.271 1.00 11.12 O ATOM 0 H GLU A 37 2.406 -20.258 -13.385 1.00 34.22 H new ATOM 0 HA GLU A 37 3.952 -17.908 -12.466 1.00 35.14 H new ATOM 0 HB2 GLU A 37 2.163 -17.684 -10.771 1.00 74.43 H new ATOM 0 HB3 GLU A 37 1.542 -17.558 -12.405 1.00 74.43 H new ATOM 0 HG2 GLU A 37 0.473 -19.638 -12.313 1.00 1.14 H new ATOM 0 HG3 GLU A 37 1.512 -20.237 -11.035 1.00 1.14 H new ATOM 565 N MET A 38 4.534 -18.962 -10.145 1.00 42.24 N ATOM 566 CA MET A 38 5.228 -19.662 -9.071 1.00 2.23 C ATOM 567 C MET A 38 4.428 -19.596 -7.774 1.00 31.43 C ATOM 568 O MET A 38 3.364 -18.981 -7.722 1.00 34.14 O ATOM 569 CB MET A 38 6.619 -19.061 -8.856 1.00 72.14 C ATOM 570 CG MET A 38 6.668 -17.555 -9.057 1.00 34.03 C ATOM 571 SD MET A 38 7.240 -17.091 -10.703 1.00 34.44 S ATOM 572 CE MET A 38 8.945 -16.663 -10.360 1.00 72.44 C ATOM 0 H MET A 38 4.489 -17.950 -10.029 1.00 42.24 H new ATOM 0 HA MET A 38 5.333 -20.708 -9.361 1.00 2.23 H new ATOM 0 HB2 MET A 38 6.955 -19.296 -7.846 1.00 72.14 H new ATOM 0 HB3 MET A 38 7.320 -19.534 -9.543 1.00 72.14 H new ATOM 0 HG2 MET A 38 5.675 -17.138 -8.891 1.00 34.03 H new ATOM 0 HG3 MET A 38 7.328 -17.114 -8.310 1.00 34.03 H new ATOM 0 HE1 MET A 38 9.526 -16.717 -11.281 1.00 72.44 H new ATOM 0 HE2 MET A 38 8.993 -15.650 -9.960 1.00 72.44 H new ATOM 0 HE3 MET A 38 9.356 -17.361 -9.630 1.00 72.44 H new ATOM 648 N GLY A 44 11.737 -18.690 -10.446 1.00 62.12 N ATOM 649 CA GLY A 44 11.148 -19.266 -11.641 1.00 1.30 C ATOM 650 C GLY A 44 12.184 -19.595 -12.697 1.00 41.35 C ATOM 651 O GLY A 44 12.998 -20.501 -12.518 1.00 71.55 O ATOM 0 HA2 GLY A 44 10.605 -20.173 -11.374 1.00 1.30 H new ATOM 0 HA3 GLY A 44 10.420 -18.569 -12.056 1.00 1.30 H new ATOM 655 N HIS A 45 12.154 -18.857 -13.803 1.00 62.52 N ATOM 656 CA HIS A 45 13.098 -19.076 -14.894 1.00 33.52 C ATOM 657 C HIS A 45 14.201 -18.023 -14.878 1.00 12.42 C ATOM 658 O HIS A 45 15.360 -18.328 -14.598 1.00 30.13 O ATOM 659 CB HIS A 45 12.370 -19.050 -16.239 1.00 5.15 C ATOM 660 CG HIS A 45 11.956 -20.405 -16.722 1.00 72.40 C ATOM 661 ND1 HIS A 45 11.194 -21.273 -15.968 1.00 24.12 N ATOM 662 CD2 HIS A 45 12.199 -21.041 -17.892 1.00 43.32 C ATOM 663 CE1 HIS A 45 10.989 -22.384 -16.652 1.00 70.14 C ATOM 664 NE2 HIS A 45 11.588 -22.268 -17.824 1.00 31.40 N ATOM 0 H HIS A 45 11.487 -18.103 -13.967 1.00 62.52 H new ATOM 0 HA HIS A 45 13.555 -20.056 -14.756 1.00 33.52 H new ATOM 0 HB2 HIS A 45 11.486 -18.419 -16.152 1.00 5.15 H new ATOM 0 HB3 HIS A 45 13.018 -18.590 -16.985 1.00 5.15 H new ATOM 0 HD2 HIS A 45 12.768 -20.655 -18.725 1.00 43.32 H new ATOM 0 HE1 HIS A 45 10.427 -23.241 -16.311 1.00 70.14 H new ATOM 0 HE2 HIS A 45 11.595 -22.975 -18.559 1.00 31.40 H new ATOM 672 N TRP A 46 13.832 -16.783 -15.180 1.00 63.25 N ATOM 673 CA TRP A 46 14.791 -15.684 -15.202 1.00 23.45 C ATOM 674 C TRP A 46 15.398 -15.465 -13.820 1.00 63.22 C ATOM 675 O TRP A 46 14.786 -15.794 -12.804 1.00 3.21 O ATOM 676 CB TRP A 46 14.116 -14.400 -15.685 1.00 60.12 C ATOM 677 CG TRP A 46 13.555 -14.509 -17.071 1.00 24.41 C ATOM 678 CD1 TRP A 46 14.247 -14.785 -18.216 1.00 24.14 C ATOM 679 CD2 TRP A 46 12.187 -14.343 -17.457 1.00 71.13 C ATOM 680 NE1 TRP A 46 13.391 -14.800 -19.290 1.00 64.23 N ATOM 681 CE2 TRP A 46 12.122 -14.533 -18.852 1.00 14.14 C ATOM 682 CE3 TRP A 46 11.010 -14.055 -16.761 1.00 41.51 C ATOM 683 CZ2 TRP A 46 10.926 -14.442 -19.560 1.00 3.33 C ATOM 684 CZ3 TRP A 46 9.825 -13.964 -17.465 1.00 73.15 C ATOM 685 CH2 TRP A 46 9.790 -14.158 -18.853 1.00 15.22 C ATOM 0 H TRP A 46 12.876 -16.514 -15.413 1.00 63.25 H new ATOM 0 HA TRP A 46 15.592 -15.947 -15.893 1.00 23.45 H new ATOM 0 HB2 TRP A 46 13.313 -14.138 -14.995 1.00 60.12 H new ATOM 0 HB3 TRP A 46 14.839 -13.585 -15.656 1.00 60.12 H new ATOM 0 HD1 TRP A 46 15.311 -14.965 -18.269 1.00 24.14 H new ATOM 0 HE1 TRP A 46 13.658 -14.981 -20.258 1.00 64.23 H new ATOM 0 HE3 TRP A 46 11.027 -13.906 -15.691 1.00 41.51 H new ATOM 0 HZ2 TRP A 46 10.897 -14.590 -20.629 1.00 3.33 H new ATOM 0 HZ3 TRP A 46 8.910 -13.740 -16.937 1.00 73.15 H new ATOM 0 HH2 TRP A 46 8.847 -14.082 -19.374 1.00 15.22 H new ATOM 696 N SER A 47 16.605 -14.908 -13.790 1.00 54.21 N ATOM 697 CA SER A 47 17.296 -14.648 -12.533 1.00 35.05 C ATOM 698 C SER A 47 18.359 -13.569 -12.710 1.00 10.51 C ATOM 699 O SER A 47 19.250 -13.692 -13.551 1.00 13.53 O ATOM 700 CB SER A 47 17.939 -15.932 -12.005 1.00 51.10 C ATOM 701 OG SER A 47 18.988 -16.363 -12.855 1.00 10.05 O ATOM 0 H SER A 47 17.124 -14.628 -14.622 1.00 54.21 H new ATOM 0 HA SER A 47 16.561 -14.294 -11.810 1.00 35.05 H new ATOM 0 HB2 SER A 47 18.327 -15.762 -11.001 1.00 51.10 H new ATOM 0 HB3 SER A 47 17.185 -16.715 -11.927 1.00 51.10 H new ATOM 0 HG SER A 47 19.387 -15.587 -13.301 1.00 10.05 H new ATOM 707 N ARG A 48 18.258 -12.511 -11.911 1.00 43.15 N ATOM 708 CA ARG A 48 19.210 -11.408 -11.980 1.00 71.51 C ATOM 709 C ARG A 48 19.041 -10.469 -10.789 1.00 71.53 C ATOM 710 O ARG A 48 18.001 -10.467 -10.131 1.00 13.22 O ATOM 711 CB ARG A 48 19.029 -10.631 -13.286 1.00 24.55 C ATOM 712 CG ARG A 48 20.338 -10.306 -13.986 1.00 43.42 C ATOM 713 CD ARG A 48 20.574 -8.805 -14.057 1.00 11.04 C ATOM 714 NE ARG A 48 21.406 -8.435 -15.198 1.00 51.43 N ATOM 715 CZ ARG A 48 22.688 -8.764 -15.311 1.00 10.52 C ATOM 716 NH1 ARG A 48 23.282 -9.466 -14.356 1.00 73.42 N ATOM 717 NH2 ARG A 48 23.379 -8.390 -16.380 1.00 53.42 N ATOM 0 H ARG A 48 17.527 -12.394 -11.209 1.00 43.15 H new ATOM 0 HA ARG A 48 20.216 -11.827 -11.951 1.00 71.51 H new ATOM 0 HB2 ARG A 48 18.400 -11.212 -13.961 1.00 24.55 H new ATOM 0 HB3 ARG A 48 18.498 -9.702 -13.076 1.00 24.55 H new ATOM 0 HG2 ARG A 48 21.163 -10.780 -13.455 1.00 43.42 H new ATOM 0 HG3 ARG A 48 20.326 -10.722 -14.994 1.00 43.42 H new ATOM 0 HD2 ARG A 48 19.616 -8.290 -14.125 1.00 11.04 H new ATOM 0 HD3 ARG A 48 21.051 -8.469 -13.136 1.00 11.04 H new ATOM 0 HE ARG A 48 20.979 -7.894 -15.950 1.00 51.43 H new ATOM 0 HH11 ARG A 48 22.754 -9.755 -13.532 1.00 73.42 H new ATOM 0 HH12 ARG A 48 24.267 -9.717 -14.445 1.00 73.42 H new ATOM 0 HH21 ARG A 48 22.926 -7.849 -17.117 1.00 53.42 H new ATOM 0 HH22 ARG A 48 24.363 -8.643 -16.465 1.00 53.42 H new ATOM 731 N ASP A 49 20.070 -9.674 -10.519 1.00 22.51 N ATOM 732 CA ASP A 49 20.036 -8.730 -9.408 1.00 30.41 C ATOM 733 C ASP A 49 20.659 -7.397 -9.809 1.00 2.15 C ATOM 734 O ASP A 49 21.882 -7.269 -9.880 1.00 53.24 O ATOM 735 CB ASP A 49 20.771 -9.308 -8.197 1.00 41.23 C ATOM 736 CG ASP A 49 20.291 -8.710 -6.889 1.00 71.33 C ATOM 737 OD1 ASP A 49 19.103 -8.331 -6.810 1.00 63.52 O ATOM 738 OD2 ASP A 49 21.102 -8.622 -5.944 1.00 64.25 O ATOM 0 H ASP A 49 20.938 -9.664 -11.054 1.00 22.51 H new ATOM 0 HA ASP A 49 18.993 -8.557 -9.141 1.00 30.41 H new ATOM 0 HB2 ASP A 49 20.631 -10.389 -8.172 1.00 41.23 H new ATOM 0 HB3 ASP A 49 21.841 -9.128 -8.305 1.00 41.23 H new ATOM 743 N ILE A 50 19.811 -6.408 -10.069 1.00 50.11 N ATOM 744 CA ILE A 50 20.279 -5.085 -10.462 1.00 51.35 C ATOM 745 C ILE A 50 20.774 -4.295 -9.255 1.00 75.23 C ATOM 746 O ILE A 50 19.984 -3.865 -8.414 1.00 53.10 O ATOM 747 CB ILE A 50 19.170 -4.282 -11.167 1.00 54.23 C ATOM 748 CG1 ILE A 50 18.450 -5.158 -12.195 1.00 45.22 C ATOM 749 CG2 ILE A 50 19.753 -3.045 -11.833 1.00 51.53 C ATOM 750 CD1 ILE A 50 19.234 -5.356 -13.474 1.00 21.33 C ATOM 0 H ILE A 50 18.796 -6.498 -10.015 1.00 50.11 H new ATOM 0 HA ILE A 50 21.105 -5.237 -11.157 1.00 51.35 H new ATOM 0 HB ILE A 50 18.444 -3.960 -10.420 1.00 54.23 H new ATOM 0 HG12 ILE A 50 18.244 -6.132 -11.750 1.00 45.22 H new ATOM 0 HG13 ILE A 50 17.487 -4.707 -12.435 1.00 45.22 H new ATOM 0 HG21 ILE A 50 18.957 -2.488 -12.327 1.00 51.53 H new ATOM 0 HG22 ILE A 50 20.224 -2.414 -11.079 1.00 51.53 H new ATOM 0 HG23 ILE A 50 20.497 -3.345 -12.571 1.00 51.53 H new ATOM 0 HD11 ILE A 50 18.664 -5.986 -14.156 1.00 21.33 H new ATOM 0 HD12 ILE A 50 19.418 -4.389 -13.942 1.00 21.33 H new ATOM 0 HD13 ILE A 50 20.186 -5.836 -13.247 1.00 21.33 H new ATOM 762 N THR A 51 22.087 -4.106 -9.176 1.00 61.13 N ATOM 763 CA THR A 51 22.688 -3.368 -8.073 1.00 1.31 C ATOM 764 C THR A 51 22.929 -1.911 -8.453 1.00 33.15 C ATOM 765 O THR A 51 23.864 -1.277 -7.963 1.00 60.34 O ATOM 766 CB THR A 51 24.023 -3.999 -7.635 1.00 70.42 C ATOM 767 OG1 THR A 51 24.956 -3.974 -8.721 1.00 4.02 O ATOM 768 CG2 THR A 51 23.817 -5.433 -7.171 1.00 35.32 C ATOM 0 H THR A 51 22.755 -4.454 -9.864 1.00 61.13 H new ATOM 0 HA THR A 51 21.984 -3.413 -7.242 1.00 1.31 H new ATOM 0 HB THR A 51 24.419 -3.417 -6.802 1.00 70.42 H new ATOM 0 HG1 THR A 51 25.803 -4.375 -8.434 1.00 4.02 H new ATOM 0 HG21 THR A 51 24.774 -5.858 -6.867 1.00 35.32 H new ATOM 0 HG22 THR A 51 23.129 -5.447 -6.326 1.00 35.32 H new ATOM 0 HG23 THR A 51 23.401 -6.023 -7.987 1.00 35.32 H new ATOM 776 N LYS A 52 22.078 -1.384 -9.327 1.00 64.32 N ATOM 777 CA LYS A 52 22.197 -0.001 -9.772 1.00 15.32 C ATOM 778 C LYS A 52 21.388 0.233 -11.044 1.00 61.21 C ATOM 779 O LYS A 52 21.369 -0.593 -11.957 1.00 21.44 O ATOM 780 CB LYS A 52 23.665 0.355 -10.015 1.00 70.35 C ATOM 781 CG LYS A 52 23.861 1.473 -11.025 1.00 32.23 C ATOM 782 CD LYS A 52 24.919 2.461 -10.564 1.00 13.24 C ATOM 783 CE LYS A 52 25.139 3.561 -11.591 1.00 3.13 C ATOM 784 NZ LYS A 52 26.587 3.793 -11.852 1.00 52.53 N ATOM 0 H LYS A 52 21.298 -1.894 -9.741 1.00 64.32 H new ATOM 0 HA LYS A 52 21.800 0.642 -8.987 1.00 15.32 H new ATOM 0 HB2 LYS A 52 24.121 0.647 -9.069 1.00 70.35 H new ATOM 0 HB3 LYS A 52 24.193 -0.533 -10.362 1.00 70.35 H new ATOM 0 HG2 LYS A 52 24.152 1.049 -11.986 1.00 32.23 H new ATOM 0 HG3 LYS A 52 22.917 1.995 -11.179 1.00 32.23 H new ATOM 0 HD2 LYS A 52 24.617 2.903 -9.615 1.00 13.24 H new ATOM 0 HD3 LYS A 52 25.857 1.935 -10.386 1.00 13.24 H new ATOM 0 HE2 LYS A 52 24.640 3.294 -12.523 1.00 3.13 H new ATOM 0 HE3 LYS A 52 24.681 4.485 -11.238 1.00 3.13 H new ATOM 0 HZ1 LYS A 52 26.696 4.550 -12.557 1.00 52.53 H new ATOM 0 HZ2 LYS A 52 27.059 4.073 -10.968 1.00 52.53 H new ATOM 0 HZ3 LYS A 52 27.019 2.919 -12.213 1.00 52.53 H new ATOM 798 N PRO A 53 20.705 1.385 -11.109 1.00 0.30 N ATOM 799 CA PRO A 53 19.884 1.755 -12.266 1.00 21.21 C ATOM 800 C PRO A 53 20.726 2.071 -13.497 1.00 44.11 C ATOM 801 O PRO A 53 21.956 2.072 -13.438 1.00 22.14 O ATOM 802 CB PRO A 53 19.143 3.006 -11.789 1.00 55.35 C ATOM 803 CG PRO A 53 20.017 3.585 -10.732 1.00 4.42 C ATOM 804 CD PRO A 53 20.682 2.417 -10.058 1.00 71.32 C ATOM 0 HA PRO A 53 19.224 0.944 -12.574 1.00 21.21 H new ATOM 0 HB2 PRO A 53 18.990 3.711 -12.606 1.00 55.35 H new ATOM 0 HB3 PRO A 53 18.158 2.756 -11.395 1.00 55.35 H new ATOM 0 HG2 PRO A 53 20.757 4.259 -11.164 1.00 4.42 H new ATOM 0 HG3 PRO A 53 19.433 4.167 -10.018 1.00 4.42 H new ATOM 0 HD2 PRO A 53 21.687 2.668 -9.719 1.00 71.32 H new ATOM 0 HD3 PRO A 53 20.123 2.087 -9.182 1.00 71.32 H new ATOM 812 N LYS A 54 20.057 2.340 -14.613 1.00 1.21 N ATOM 813 CA LYS A 54 20.743 2.660 -15.859 1.00 3.10 C ATOM 814 C LYS A 54 20.568 4.133 -16.214 1.00 4.33 C ATOM 815 O LYS A 54 21.474 4.941 -16.014 1.00 3.14 O ATOM 816 CB LYS A 54 20.213 1.784 -16.997 1.00 2.35 C ATOM 817 CG LYS A 54 20.827 2.106 -18.348 1.00 70.42 C ATOM 818 CD LYS A 54 20.031 1.485 -19.484 1.00 21.41 C ATOM 819 CE LYS A 54 20.177 -0.029 -19.504 1.00 70.21 C ATOM 820 NZ LYS A 54 20.658 -0.523 -20.824 1.00 51.53 N ATOM 0 H LYS A 54 19.039 2.343 -14.680 1.00 1.21 H new ATOM 0 HA LYS A 54 21.806 2.461 -15.720 1.00 3.10 H new ATOM 0 HB2 LYS A 54 20.406 0.738 -16.759 1.00 2.35 H new ATOM 0 HB3 LYS A 54 19.131 1.902 -17.061 1.00 2.35 H new ATOM 0 HG2 LYS A 54 20.870 3.187 -18.481 1.00 70.42 H new ATOM 0 HG3 LYS A 54 21.853 1.740 -18.379 1.00 70.42 H new ATOM 0 HD2 LYS A 54 18.979 1.749 -19.379 1.00 21.41 H new ATOM 0 HD3 LYS A 54 20.370 1.897 -20.435 1.00 21.41 H new ATOM 0 HE2 LYS A 54 20.875 -0.337 -18.725 1.00 70.21 H new ATOM 0 HE3 LYS A 54 19.217 -0.489 -19.272 1.00 70.21 H new ATOM 0 HZ1 LYS A 54 20.744 -1.559 -20.796 1.00 51.53 H new ATOM 0 HZ2 LYS A 54 19.980 -0.252 -21.564 1.00 51.53 H new ATOM 0 HZ3 LYS A 54 21.586 -0.104 -21.034 1.00 51.53 H new ATOM 834 N ASN A 55 19.397 4.476 -16.740 1.00 31.41 N ATOM 835 CA ASN A 55 19.103 5.852 -17.121 1.00 44.34 C ATOM 836 C ASN A 55 18.010 6.441 -16.235 1.00 4.23 C ATOM 837 O ASN A 55 16.948 6.832 -16.717 1.00 62.32 O ATOM 838 CB ASN A 55 18.675 5.917 -18.589 1.00 21.42 C ATOM 839 CG ASN A 55 19.822 6.283 -19.510 1.00 64.24 C ATOM 840 OD1 ASN A 55 20.724 7.030 -19.131 1.00 1.03 O ATOM 841 ND2 ASN A 55 19.793 5.757 -20.729 1.00 71.34 N ATOM 0 H ASN A 55 18.636 3.819 -16.912 1.00 31.41 H new ATOM 0 HA ASN A 55 20.011 6.441 -16.987 1.00 44.34 H new ATOM 0 HB2 ASN A 55 18.266 4.952 -18.888 1.00 21.42 H new ATOM 0 HB3 ASN A 55 17.876 6.650 -18.699 1.00 21.42 H new ATOM 0 HD21 ASN A 55 20.538 5.967 -21.393 1.00 71.34 H new ATOM 0 HD22 ASN A 55 19.026 5.142 -21.001 1.00 71.34 H new ATOM 848 N GLY A 56 18.280 6.502 -14.934 1.00 13.20 N ATOM 849 CA GLY A 56 17.310 7.045 -14.000 1.00 42.14 C ATOM 850 C GLY A 56 16.332 5.998 -13.506 1.00 61.01 C ATOM 851 O GLY A 56 15.684 6.182 -12.476 1.00 31.34 O ATOM 0 H GLY A 56 19.152 6.185 -14.511 1.00 13.20 H new ATOM 0 HA2 GLY A 56 17.834 7.479 -13.148 1.00 42.14 H new ATOM 0 HA3 GLY A 56 16.760 7.853 -14.481 1.00 42.14 H new ATOM 855 N ARG A 57 16.224 4.897 -14.243 1.00 15.22 N ATOM 856 CA ARG A 57 15.315 3.818 -13.875 1.00 11.12 C ATOM 857 C ARG A 57 16.018 2.466 -13.950 1.00 60.10 C ATOM 858 O ARG A 57 17.092 2.346 -14.539 1.00 62.11 O ATOM 859 CB ARG A 57 14.090 3.820 -14.791 1.00 32.51 C ATOM 860 CG ARG A 57 13.761 5.188 -15.366 1.00 32.52 C ATOM 861 CD ARG A 57 14.538 5.455 -16.645 1.00 55.54 C ATOM 862 NE ARG A 57 13.860 4.914 -17.820 1.00 62.25 N ATOM 863 CZ ARG A 57 14.262 5.135 -19.067 1.00 73.02 C ATOM 864 NH1 ARG A 57 15.332 5.883 -19.300 1.00 34.41 N ATOM 865 NH2 ARG A 57 13.593 4.607 -20.084 1.00 53.34 N ATOM 0 H ARG A 57 16.754 4.729 -15.098 1.00 15.22 H new ATOM 0 HA ARG A 57 14.992 3.983 -12.847 1.00 11.12 H new ATOM 0 HB2 ARG A 57 14.259 3.122 -15.611 1.00 32.51 H new ATOM 0 HB3 ARG A 57 13.229 3.453 -14.232 1.00 32.51 H new ATOM 0 HG2 ARG A 57 12.692 5.251 -15.568 1.00 32.52 H new ATOM 0 HG3 ARG A 57 13.993 5.958 -14.631 1.00 32.52 H new ATOM 0 HD2 ARG A 57 14.675 6.529 -16.768 1.00 55.54 H new ATOM 0 HD3 ARG A 57 15.531 5.014 -16.564 1.00 55.54 H new ATOM 0 HE ARG A 57 13.033 4.335 -17.675 1.00 62.25 H new ATOM 0 HH11 ARG A 57 15.849 6.290 -18.521 1.00 34.41 H new ATOM 0 HH12 ARG A 57 15.638 6.051 -20.258 1.00 34.41 H new ATOM 0 HH21 ARG A 57 12.770 4.031 -19.909 1.00 53.34 H new ATOM 0 HH22 ARG A 57 13.902 4.777 -21.041 1.00 53.34 H new ATOM 879 N TRP A 58 15.405 1.452 -13.350 1.00 0.34 N ATOM 880 CA TRP A 58 15.973 0.109 -13.348 1.00 73.32 C ATOM 881 C TRP A 58 15.494 -0.686 -14.558 1.00 41.34 C ATOM 882 O TRP A 58 14.428 -1.302 -14.526 1.00 5.24 O ATOM 883 CB TRP A 58 15.596 -0.625 -12.060 1.00 3.21 C ATOM 884 CG TRP A 58 15.835 0.187 -10.823 1.00 14.22 C ATOM 885 CD1 TRP A 58 15.085 1.237 -10.375 1.00 12.05 C ATOM 886 CD2 TRP A 58 16.896 0.017 -9.877 1.00 72.30 C ATOM 887 NE1 TRP A 58 15.616 1.729 -9.207 1.00 2.51 N ATOM 888 CE2 TRP A 58 16.727 0.998 -8.880 1.00 71.41 C ATOM 889 CE3 TRP A 58 17.971 -0.870 -9.774 1.00 32.11 C ATOM 890 CZ2 TRP A 58 17.594 1.115 -7.797 1.00 62.22 C ATOM 891 CZ3 TRP A 58 18.831 -0.752 -8.699 1.00 32.23 C ATOM 892 CH2 TRP A 58 18.638 0.233 -7.722 1.00 2.54 C ATOM 0 H TRP A 58 14.515 1.534 -12.859 1.00 0.34 H new ATOM 0 HA TRP A 58 17.058 0.201 -13.402 1.00 73.32 H new ATOM 0 HB2 TRP A 58 14.544 -0.905 -12.105 1.00 3.21 H new ATOM 0 HB3 TRP A 58 16.170 -1.550 -11.996 1.00 3.21 H new ATOM 0 HD1 TRP A 58 14.204 1.624 -10.866 1.00 12.05 H new ATOM 0 HE1 TRP A 58 15.243 2.512 -8.670 1.00 2.51 H new ATOM 0 HE3 TRP A 58 18.127 -1.634 -10.521 1.00 32.11 H new ATOM 0 HZ2 TRP A 58 17.448 1.874 -7.043 1.00 62.22 H new ATOM 0 HZ3 TRP A 58 19.666 -1.431 -8.611 1.00 32.23 H new ATOM 0 HH2 TRP A 58 19.327 0.298 -6.893 1.00 2.54 H new ATOM 903 N ILE A 59 16.287 -0.667 -15.624 1.00 64.32 N ATOM 904 CA ILE A 59 15.944 -1.388 -16.844 1.00 11.41 C ATOM 905 C ILE A 59 16.737 -2.685 -16.958 1.00 41.00 C ATOM 906 O ILE A 59 17.866 -2.780 -16.476 1.00 1.50 O ATOM 907 CB ILE A 59 16.202 -0.529 -18.096 1.00 64.33 C ATOM 908 CG1 ILE A 59 15.721 0.905 -17.867 1.00 21.24 C ATOM 909 CG2 ILE A 59 15.512 -1.138 -19.307 1.00 75.04 C ATOM 910 CD1 ILE A 59 16.382 1.917 -18.776 1.00 72.11 C ATOM 0 H ILE A 59 17.171 -0.160 -15.668 1.00 64.32 H new ATOM 0 HA ILE A 59 14.881 -1.620 -16.785 1.00 11.41 H new ATOM 0 HB ILE A 59 17.275 -0.505 -18.287 1.00 64.33 H new ATOM 0 HG12 ILE A 59 14.642 0.946 -18.016 1.00 21.24 H new ATOM 0 HG13 ILE A 59 15.911 1.182 -16.830 1.00 21.24 H new ATOM 0 HG21 ILE A 59 15.703 -0.520 -20.184 1.00 75.04 H new ATOM 0 HG22 ILE A 59 15.899 -2.142 -19.479 1.00 75.04 H new ATOM 0 HG23 ILE A 59 14.438 -1.189 -19.127 1.00 75.04 H new ATOM 0 HD11 ILE A 59 15.993 2.911 -18.557 1.00 72.11 H new ATOM 0 HD12 ILE A 59 17.459 1.905 -18.611 1.00 72.11 H new ATOM 0 HD13 ILE A 59 16.171 1.665 -19.815 1.00 72.11 H new ATOM 922 N PHE A 60 16.139 -3.683 -17.601 1.00 4.13 N ATOM 923 CA PHE A 60 16.790 -4.976 -17.780 1.00 2.45 C ATOM 924 C PHE A 60 16.432 -5.582 -19.133 1.00 34.41 C ATOM 925 O PHE A 60 15.433 -5.208 -19.748 1.00 30.11 O ATOM 926 CB PHE A 60 16.388 -5.933 -16.656 1.00 15.11 C ATOM 927 CG PHE A 60 16.779 -7.360 -16.915 1.00 52.31 C ATOM 928 CD1 PHE A 60 18.113 -7.731 -16.949 1.00 4.30 C ATOM 929 CD2 PHE A 60 15.812 -8.330 -17.124 1.00 41.02 C ATOM 930 CE1 PHE A 60 18.476 -9.043 -17.188 1.00 50.30 C ATOM 931 CE2 PHE A 60 16.169 -9.644 -17.363 1.00 53.13 C ATOM 932 CZ PHE A 60 17.503 -10.001 -17.394 1.00 55.32 C ATOM 0 H PHE A 60 15.205 -3.621 -18.007 1.00 4.13 H new ATOM 0 HA PHE A 60 17.868 -4.820 -17.746 1.00 2.45 H new ATOM 0 HB2 PHE A 60 16.849 -5.602 -15.725 1.00 15.11 H new ATOM 0 HB3 PHE A 60 15.309 -5.881 -16.514 1.00 15.11 H new ATOM 0 HD1 PHE A 60 18.878 -6.986 -16.787 1.00 4.30 H new ATOM 0 HD2 PHE A 60 14.767 -8.056 -17.100 1.00 41.02 H new ATOM 0 HE1 PHE A 60 19.520 -9.319 -17.214 1.00 50.30 H new ATOM 0 HE2 PHE A 60 15.406 -10.391 -17.525 1.00 53.13 H new ATOM 0 HZ PHE A 60 17.784 -11.027 -17.579 1.00 55.32 H new ATOM 942 N ARG A 61 17.254 -6.521 -19.590 1.00 41.45 N ATOM 943 CA ARG A 61 17.026 -7.178 -20.871 1.00 74.44 C ATOM 944 C ARG A 61 17.515 -8.623 -20.835 1.00 73.34 C ATOM 945 O ARG A 61 18.564 -8.920 -20.264 1.00 0.01 O ATOM 946 CB ARG A 61 17.734 -6.417 -21.993 1.00 53.24 C ATOM 947 CG ARG A 61 19.168 -6.040 -21.662 1.00 44.43 C ATOM 948 CD ARG A 61 19.262 -4.618 -21.130 1.00 70.20 C ATOM 949 NE ARG A 61 20.011 -3.745 -22.029 1.00 64.14 N ATOM 950 CZ ARG A 61 21.272 -3.966 -22.387 1.00 13.45 C ATOM 951 NH1 ARG A 61 21.920 -5.025 -21.923 1.00 72.42 N ATOM 952 NH2 ARG A 61 21.886 -3.125 -23.209 1.00 62.23 N ATOM 0 H ARG A 61 18.084 -6.844 -19.092 1.00 41.45 H new ATOM 0 HA ARG A 61 15.953 -7.180 -21.064 1.00 74.44 H new ATOM 0 HB2 ARG A 61 17.727 -7.028 -22.896 1.00 53.24 H new ATOM 0 HB3 ARG A 61 17.171 -5.511 -22.217 1.00 53.24 H new ATOM 0 HG2 ARG A 61 19.566 -6.734 -20.921 1.00 44.43 H new ATOM 0 HG3 ARG A 61 19.786 -6.137 -22.554 1.00 44.43 H new ATOM 0 HD2 ARG A 61 18.258 -4.217 -20.988 1.00 70.20 H new ATOM 0 HD3 ARG A 61 19.742 -4.628 -20.151 1.00 70.20 H new ATOM 0 HE ARG A 61 19.541 -2.920 -22.403 1.00 64.14 H new ATOM 0 HH11 ARG A 61 21.451 -5.673 -21.290 1.00 72.42 H new ATOM 0 HH12 ARG A 61 22.888 -5.192 -22.199 1.00 72.42 H new ATOM 0 HH21 ARG A 61 21.391 -2.308 -23.567 1.00 62.23 H new ATOM 0 HH22 ARG A 61 22.854 -3.295 -23.483 1.00 62.23 H new ATOM 966 N ASP A 62 16.747 -9.518 -21.449 1.00 2.53 N ATOM 967 CA ASP A 62 17.102 -10.931 -21.488 1.00 22.45 C ATOM 968 C ASP A 62 17.402 -11.377 -22.915 1.00 71.43 C ATOM 969 O ASP A 62 17.363 -10.575 -23.848 1.00 13.31 O ATOM 970 CB ASP A 62 15.972 -11.779 -20.902 1.00 31.21 C ATOM 971 CG ASP A 62 16.302 -12.310 -19.521 1.00 23.12 C ATOM 972 OD1 ASP A 62 17.489 -12.607 -19.267 1.00 74.31 O ATOM 973 OD2 ASP A 62 15.375 -12.428 -18.693 1.00 53.42 O ATOM 0 H ASP A 62 15.875 -9.289 -21.926 1.00 2.53 H new ATOM 0 HA ASP A 62 18.000 -11.071 -20.887 1.00 22.45 H new ATOM 0 HB2 ASP A 62 15.062 -11.181 -20.850 1.00 31.21 H new ATOM 0 HB3 ASP A 62 15.766 -12.615 -21.570 1.00 31.21 H new ATOM 978 N ARG A 63 17.702 -12.662 -23.078 1.00 2.22 N ATOM 979 CA ARG A 63 18.011 -13.214 -24.391 1.00 40.14 C ATOM 980 C ARG A 63 17.455 -14.628 -24.531 1.00 64.10 C ATOM 981 O ARG A 63 17.874 -15.386 -25.405 1.00 33.32 O ATOM 982 CB ARG A 63 19.523 -13.224 -24.621 1.00 44.43 C ATOM 983 CG ARG A 63 19.920 -13.011 -26.073 1.00 41.11 C ATOM 984 CD ARG A 63 21.350 -13.460 -26.331 1.00 51.23 C ATOM 985 NE ARG A 63 22.068 -12.529 -27.198 1.00 11.44 N ATOM 986 CZ ARG A 63 21.698 -12.248 -28.442 1.00 75.10 C ATOM 987 NH1 ARG A 63 20.623 -12.824 -28.963 1.00 53.31 N ATOM 988 NH2 ARG A 63 22.403 -11.390 -29.168 1.00 15.32 N ATOM 0 H ARG A 63 17.737 -13.340 -22.317 1.00 2.22 H new ATOM 0 HA ARG A 63 17.540 -12.581 -25.143 1.00 40.14 H new ATOM 0 HB2 ARG A 63 19.980 -12.445 -24.010 1.00 44.43 H new ATOM 0 HB3 ARG A 63 19.928 -14.176 -24.278 1.00 44.43 H new ATOM 0 HG2 ARG A 63 19.241 -13.564 -26.722 1.00 41.11 H new ATOM 0 HG3 ARG A 63 19.817 -11.956 -26.329 1.00 41.11 H new ATOM 0 HD2 ARG A 63 21.878 -13.552 -25.382 1.00 51.23 H new ATOM 0 HD3 ARG A 63 21.342 -14.449 -26.789 1.00 51.23 H new ATOM 0 HE ARG A 63 22.900 -12.069 -26.827 1.00 11.44 H new ATOM 0 HH11 ARG A 63 20.079 -13.484 -28.408 1.00 53.31 H new ATOM 0 HH12 ARG A 63 20.341 -12.607 -29.919 1.00 53.31 H new ATOM 0 HH21 ARG A 63 23.230 -10.945 -28.771 1.00 15.32 H new ATOM 0 HH22 ARG A 63 22.118 -11.175 -30.123 1.00 15.32 H new ATOM 1002 N ASN A 64 16.511 -14.976 -23.663 1.00 53.40 N ATOM 1003 CA ASN A 64 15.898 -16.299 -23.689 1.00 25.01 C ATOM 1004 C ASN A 64 14.388 -16.203 -23.496 1.00 61.51 C ATOM 1005 O ASN A 64 13.737 -17.178 -23.119 1.00 44.40 O ATOM 1006 CB ASN A 64 16.507 -17.187 -22.602 1.00 5.13 C ATOM 1007 CG ASN A 64 16.025 -16.814 -21.213 1.00 72.23 C ATOM 1008 OD1 ASN A 64 15.080 -17.407 -20.693 1.00 14.13 O ATOM 1009 ND2 ASN A 64 16.674 -15.827 -20.607 1.00 35.04 N ATOM 0 H ASN A 64 16.154 -14.360 -22.933 1.00 53.40 H new ATOM 0 HA ASN A 64 16.094 -16.744 -24.665 1.00 25.01 H new ATOM 0 HB2 ASN A 64 16.255 -18.228 -22.804 1.00 5.13 H new ATOM 0 HB3 ASN A 64 17.594 -17.109 -22.640 1.00 5.13 H new ATOM 0 HD21 ASN A 64 16.395 -15.532 -19.671 1.00 35.04 H new ATOM 0 HD22 ASN A 64 17.452 -15.364 -21.077 1.00 35.04 H new ATOM 1016 N ALA A 65 13.837 -15.023 -23.758 1.00 41.22 N ATOM 1017 CA ALA A 65 12.404 -14.800 -23.616 1.00 74.43 C ATOM 1018 C ALA A 65 11.728 -14.686 -24.979 1.00 23.23 C ATOM 1019 O ALA A 65 11.706 -13.614 -25.583 1.00 60.40 O ATOM 1020 CB ALA A 65 12.143 -13.550 -22.789 1.00 72.13 C ATOM 0 H ALA A 65 14.362 -14.206 -24.070 1.00 41.22 H new ATOM 0 HA ALA A 65 11.978 -15.660 -23.099 1.00 74.43 H new ATOM 0 HB1 ALA A 65 11.068 -13.396 -22.691 1.00 72.13 H new ATOM 0 HB2 ALA A 65 12.584 -13.670 -21.799 1.00 72.13 H new ATOM 0 HB3 ALA A 65 12.590 -12.687 -23.283 1.00 72.13 H new ATOM 1026 N ALA A 66 11.179 -15.798 -25.457 1.00 23.00 N ATOM 1027 CA ALA A 66 10.502 -15.822 -26.748 1.00 3.24 C ATOM 1028 C ALA A 66 9.003 -15.599 -26.585 1.00 54.30 C ATOM 1029 O ALA A 66 8.226 -16.553 -26.522 1.00 11.33 O ATOM 1030 CB ALA A 66 10.768 -17.140 -27.459 1.00 32.54 C ATOM 0 H ALA A 66 11.190 -16.694 -24.970 1.00 23.00 H new ATOM 0 HA ALA A 66 10.900 -15.009 -27.355 1.00 3.24 H new ATOM 0 HB1 ALA A 66 10.256 -17.144 -28.421 1.00 32.54 H new ATOM 0 HB2 ALA A 66 11.840 -17.258 -27.617 1.00 32.54 H new ATOM 0 HB3 ALA A 66 10.399 -17.964 -26.848 1.00 32.54 H new ATOM 1036 N LEU A 67 8.601 -14.334 -26.517 1.00 63.23 N ATOM 1037 CA LEU A 67 7.193 -13.986 -26.361 1.00 43.43 C ATOM 1038 C LEU A 67 6.709 -13.139 -27.534 1.00 11.33 C ATOM 1039 O LEU A 67 7.502 -12.703 -28.369 1.00 11.24 O ATOM 1040 CB LEU A 67 6.977 -13.231 -25.048 1.00 51.05 C ATOM 1041 CG LEU A 67 7.239 -11.725 -25.089 1.00 32.01 C ATOM 1042 CD1 LEU A 67 6.387 -11.007 -24.053 1.00 62.14 C ATOM 1043 CD2 LEU A 67 8.715 -11.434 -24.862 1.00 62.14 C ATOM 0 H LEU A 67 9.230 -13.533 -26.567 1.00 63.23 H new ATOM 0 HA LEU A 67 6.615 -14.910 -26.341 1.00 43.43 H new ATOM 0 HB2 LEU A 67 5.949 -13.392 -24.724 1.00 51.05 H new ATOM 0 HB3 LEU A 67 7.623 -13.671 -24.288 1.00 51.05 H new ATOM 0 HG LEU A 67 6.964 -11.354 -26.076 1.00 32.01 H new ATOM 0 HD11 LEU A 67 6.587 -9.936 -24.097 1.00 62.14 H new ATOM 0 HD12 LEU A 67 5.332 -11.188 -24.260 1.00 62.14 H new ATOM 0 HD13 LEU A 67 6.631 -11.381 -23.059 1.00 62.14 H new ATOM 0 HD21 LEU A 67 8.883 -10.357 -24.895 1.00 62.14 H new ATOM 0 HD22 LEU A 67 9.016 -11.819 -23.888 1.00 62.14 H new ATOM 0 HD23 LEU A 67 9.305 -11.917 -25.641 1.00 62.14 H new ATOM 1055 N LYS A 68 5.402 -12.907 -27.589 1.00 74.44 N ATOM 1056 CA LYS A 68 4.810 -12.110 -28.657 1.00 1.41 C ATOM 1057 C LYS A 68 3.516 -11.450 -28.190 1.00 63.13 C ATOM 1058 O LYS A 68 2.671 -12.093 -27.567 1.00 71.01 O ATOM 1059 CB LYS A 68 4.536 -12.984 -29.883 1.00 2.41 C ATOM 1060 CG LYS A 68 3.722 -14.228 -29.573 1.00 43.02 C ATOM 1061 CD LYS A 68 4.609 -15.377 -29.123 1.00 42.31 C ATOM 1062 CE LYS A 68 3.988 -16.724 -29.457 1.00 63.42 C ATOM 1063 NZ LYS A 68 4.921 -17.850 -29.175 1.00 63.24 N ATOM 0 H LYS A 68 4.732 -13.260 -26.906 1.00 74.44 H new ATOM 0 HA LYS A 68 5.519 -11.328 -28.928 1.00 1.41 H new ATOM 0 HB2 LYS A 68 4.008 -12.392 -30.631 1.00 2.41 H new ATOM 0 HB3 LYS A 68 5.486 -13.283 -30.326 1.00 2.41 H new ATOM 0 HG2 LYS A 68 2.994 -14.003 -28.794 1.00 43.02 H new ATOM 0 HG3 LYS A 68 3.160 -14.526 -30.458 1.00 43.02 H new ATOM 0 HD2 LYS A 68 5.584 -15.295 -29.604 1.00 42.31 H new ATOM 0 HD3 LYS A 68 4.777 -15.309 -28.048 1.00 42.31 H new ATOM 0 HE2 LYS A 68 3.074 -16.856 -28.878 1.00 63.42 H new ATOM 0 HE3 LYS A 68 3.704 -16.742 -30.509 1.00 63.42 H new ATOM 0 HZ1 LYS A 68 4.461 -18.751 -29.416 1.00 63.24 H new ATOM 0 HZ2 LYS A 68 5.783 -17.738 -29.746 1.00 63.24 H new ATOM 0 HZ3 LYS A 68 5.172 -17.848 -28.166 1.00 63.24 H new ATOM 1077 N ILE A 69 3.368 -10.166 -28.497 1.00 2.22 N ATOM 1078 CA ILE A 69 2.176 -9.421 -28.111 1.00 30.33 C ATOM 1079 C ILE A 69 0.992 -10.356 -27.890 1.00 33.23 C ATOM 1080 O ILE A 69 0.559 -11.055 -28.805 1.00 42.55 O ATOM 1081 CB ILE A 69 1.797 -8.374 -29.174 1.00 42.14 C ATOM 1082 CG1 ILE A 69 2.832 -7.247 -29.203 1.00 14.23 C ATOM 1083 CG2 ILE A 69 0.408 -7.818 -28.899 1.00 71.45 C ATOM 1084 CD1 ILE A 69 3.235 -6.762 -27.828 1.00 15.23 C ATOM 0 H ILE A 69 4.059 -9.620 -29.012 1.00 2.22 H new ATOM 0 HA ILE A 69 2.412 -8.910 -27.178 1.00 30.33 H new ATOM 0 HB ILE A 69 1.786 -8.857 -30.151 1.00 42.14 H new ATOM 0 HG12 ILE A 69 3.720 -7.593 -29.732 1.00 14.23 H new ATOM 0 HG13 ILE A 69 2.429 -6.409 -29.771 1.00 14.23 H new ATOM 0 HG21 ILE A 69 0.155 -7.079 -29.659 1.00 71.45 H new ATOM 0 HG22 ILE A 69 -0.320 -8.629 -28.924 1.00 71.45 H new ATOM 0 HG23 ILE A 69 0.393 -7.347 -27.916 1.00 71.45 H new ATOM 0 HD11 ILE A 69 3.971 -5.964 -27.925 1.00 15.23 H new ATOM 0 HD12 ILE A 69 2.357 -6.385 -27.303 1.00 15.23 H new ATOM 0 HD13 ILE A 69 3.668 -7.588 -27.263 1.00 15.23 H new ATOM 1096 N GLY A 70 0.470 -10.363 -26.667 1.00 12.43 N ATOM 1097 CA GLY A 70 -0.661 -11.214 -26.347 1.00 52.13 C ATOM 1098 C GLY A 70 -0.345 -12.210 -25.249 1.00 15.42 C ATOM 1099 O GLY A 70 -1.251 -12.756 -24.618 1.00 64.54 O ATOM 0 H GLY A 70 0.811 -9.794 -25.892 1.00 12.43 H new ATOM 0 HA2 GLY A 70 -1.503 -10.594 -26.039 1.00 52.13 H new ATOM 0 HA3 GLY A 70 -0.972 -11.752 -27.243 1.00 52.13 H new ATOM 1103 N ASP A 71 0.941 -12.447 -25.020 1.00 23.01 N ATOM 1104 CA ASP A 71 1.375 -13.385 -23.990 1.00 55.53 C ATOM 1105 C ASP A 71 1.033 -12.860 -22.599 1.00 44.42 C ATOM 1106 O ASP A 71 0.255 -11.917 -22.453 1.00 33.22 O ATOM 1107 CB ASP A 71 2.879 -13.636 -24.099 1.00 43.55 C ATOM 1108 CG ASP A 71 3.217 -15.112 -24.161 1.00 20.23 C ATOM 1109 OD1 ASP A 71 3.170 -15.776 -23.104 1.00 21.31 O ATOM 1110 OD2 ASP A 71 3.527 -15.604 -25.266 1.00 24.04 O ATOM 0 H ASP A 71 1.702 -12.003 -25.533 1.00 23.01 H new ATOM 0 HA ASP A 71 0.846 -14.326 -24.144 1.00 55.53 H new ATOM 0 HB2 ASP A 71 3.263 -13.141 -24.991 1.00 43.55 H new ATOM 0 HB3 ASP A 71 3.382 -13.187 -23.243 1.00 43.55 H new ATOM 1115 N LYS A 72 1.621 -13.476 -21.579 1.00 74.43 N ATOM 1116 CA LYS A 72 1.380 -13.072 -20.199 1.00 61.51 C ATOM 1117 C LYS A 72 2.581 -13.403 -19.318 1.00 74.52 C ATOM 1118 O LYS A 72 3.457 -14.173 -19.712 1.00 23.42 O ATOM 1119 CB LYS A 72 0.128 -13.764 -19.654 1.00 63.04 C ATOM 1120 CG LYS A 72 -1.107 -12.881 -19.664 1.00 55.02 C ATOM 1121 CD LYS A 72 -2.359 -13.677 -19.994 1.00 50.14 C ATOM 1122 CE LYS A 72 -2.852 -13.382 -21.403 1.00 25.30 C ATOM 1123 NZ LYS A 72 -3.840 -14.394 -21.868 1.00 33.12 N ATOM 0 H LYS A 72 2.268 -14.257 -21.682 1.00 74.43 H new ATOM 0 HA LYS A 72 1.227 -11.993 -20.184 1.00 61.51 H new ATOM 0 HB2 LYS A 72 -0.070 -14.658 -20.246 1.00 63.04 H new ATOM 0 HB3 LYS A 72 0.320 -14.094 -18.633 1.00 63.04 H new ATOM 0 HG2 LYS A 72 -1.223 -12.405 -18.690 1.00 55.02 H new ATOM 0 HG3 LYS A 72 -0.979 -12.083 -20.395 1.00 55.02 H new ATOM 0 HD2 LYS A 72 -2.150 -14.742 -19.896 1.00 50.14 H new ATOM 0 HD3 LYS A 72 -3.143 -13.438 -19.276 1.00 50.14 H new ATOM 0 HE2 LYS A 72 -3.307 -12.392 -21.429 1.00 25.30 H new ATOM 0 HE3 LYS A 72 -2.004 -13.361 -22.088 1.00 25.30 H new ATOM 0 HZ1 LYS A 72 -4.152 -14.158 -22.832 1.00 33.12 H new ATOM 0 HZ2 LYS A 72 -3.399 -15.336 -21.868 1.00 33.12 H new ATOM 0 HZ3 LYS A 72 -4.661 -14.396 -21.230 1.00 33.12 H new ATOM 1137 N ILE A 73 2.613 -12.819 -18.126 1.00 13.44 N ATOM 1138 CA ILE A 73 3.704 -13.054 -17.189 1.00 24.31 C ATOM 1139 C ILE A 73 3.194 -13.115 -15.753 1.00 54.34 C ATOM 1140 O ILE A 73 2.210 -12.461 -15.405 1.00 43.52 O ATOM 1141 CB ILE A 73 4.782 -11.959 -17.293 1.00 13.41 C ATOM 1142 CG1 ILE A 73 5.422 -11.973 -18.682 1.00 42.24 C ATOM 1143 CG2 ILE A 73 5.838 -12.150 -16.215 1.00 31.41 C ATOM 1144 CD1 ILE A 73 6.364 -10.815 -18.925 1.00 44.34 C ATOM 0 H ILE A 73 1.895 -12.179 -17.786 1.00 13.44 H new ATOM 0 HA ILE A 73 4.146 -14.014 -17.456 1.00 24.31 H new ATOM 0 HB ILE A 73 4.309 -10.989 -17.142 1.00 13.41 H new ATOM 0 HG12 ILE A 73 5.967 -12.908 -18.813 1.00 42.24 H new ATOM 0 HG13 ILE A 73 4.635 -11.955 -19.436 1.00 42.24 H new ATOM 0 HG21 ILE A 73 6.593 -11.368 -16.302 1.00 31.41 H new ATOM 0 HG22 ILE A 73 5.369 -12.094 -15.233 1.00 31.41 H new ATOM 0 HG23 ILE A 73 6.310 -13.125 -16.337 1.00 31.41 H new ATOM 0 HD11 ILE A 73 6.781 -10.890 -19.929 1.00 44.34 H new ATOM 0 HD12 ILE A 73 5.819 -9.876 -18.827 1.00 44.34 H new ATOM 0 HD13 ILE A 73 7.172 -10.844 -18.194 1.00 44.34 H new ATOM 1156 N TYR A 74 3.869 -13.902 -14.924 1.00 32.41 N ATOM 1157 CA TYR A 74 3.483 -14.049 -13.525 1.00 43.04 C ATOM 1158 C TYR A 74 4.702 -14.331 -12.651 1.00 55.31 C ATOM 1159 O TYR A 74 5.227 -15.444 -12.638 1.00 34.33 O ATOM 1160 CB TYR A 74 2.460 -15.176 -13.372 1.00 1.50 C ATOM 1161 CG TYR A 74 1.634 -15.417 -14.615 1.00 44.04 C ATOM 1162 CD1 TYR A 74 0.439 -14.740 -14.822 1.00 32.13 C ATOM 1163 CD2 TYR A 74 2.051 -16.322 -15.584 1.00 54.35 C ATOM 1164 CE1 TYR A 74 -0.319 -14.958 -15.956 1.00 31.31 C ATOM 1165 CE2 TYR A 74 1.300 -16.545 -16.723 1.00 31.15 C ATOM 1166 CZ TYR A 74 0.116 -15.861 -16.903 1.00 73.54 C ATOM 1167 OH TYR A 74 -0.636 -16.081 -18.035 1.00 44.42 O ATOM 0 H TYR A 74 4.686 -14.448 -15.196 1.00 32.41 H new ATOM 0 HA TYR A 74 3.032 -13.112 -13.198 1.00 43.04 H new ATOM 0 HB2 TYR A 74 2.982 -16.096 -13.109 1.00 1.50 H new ATOM 0 HB3 TYR A 74 1.793 -14.940 -12.543 1.00 1.50 H new ATOM 0 HD1 TYR A 74 0.096 -14.031 -14.083 1.00 32.13 H new ATOM 0 HD2 TYR A 74 2.977 -16.860 -15.445 1.00 54.35 H new ATOM 0 HE1 TYR A 74 -1.247 -14.424 -16.100 1.00 31.31 H new ATOM 0 HE2 TYR A 74 1.638 -17.251 -17.467 1.00 31.15 H new ATOM 0 HH TYR A 74 -0.189 -16.745 -18.601 1.00 44.42 H new ATOM 1177 N PHE A 75 5.146 -13.313 -11.921 1.00 52.02 N ATOM 1178 CA PHE A 75 6.302 -13.449 -11.043 1.00 63.14 C ATOM 1179 C PHE A 75 6.316 -12.348 -9.987 1.00 34.43 C ATOM 1180 O PHE A 75 5.308 -11.679 -9.760 1.00 33.11 O ATOM 1181 CB PHE A 75 7.596 -13.404 -11.859 1.00 22.51 C ATOM 1182 CG PHE A 75 7.981 -12.020 -12.297 1.00 71.45 C ATOM 1183 CD1 PHE A 75 7.091 -11.233 -13.011 1.00 23.12 C ATOM 1184 CD2 PHE A 75 9.232 -11.506 -11.996 1.00 73.51 C ATOM 1185 CE1 PHE A 75 7.443 -9.960 -13.416 1.00 42.41 C ATOM 1186 CE2 PHE A 75 9.589 -10.233 -12.398 1.00 61.35 C ATOM 1187 CZ PHE A 75 8.693 -9.459 -13.109 1.00 1.44 C ATOM 0 H PHE A 75 4.723 -12.385 -11.920 1.00 52.02 H new ATOM 0 HA PHE A 75 6.232 -14.412 -10.537 1.00 63.14 H new ATOM 0 HB2 PHE A 75 8.406 -13.827 -11.264 1.00 22.51 H new ATOM 0 HB3 PHE A 75 7.483 -14.037 -12.739 1.00 22.51 H new ATOM 0 HD1 PHE A 75 6.112 -11.619 -13.253 1.00 23.12 H new ATOM 0 HD2 PHE A 75 9.936 -12.107 -11.441 1.00 73.51 H new ATOM 0 HE1 PHE A 75 6.741 -9.357 -13.972 1.00 42.41 H new ATOM 0 HE2 PHE A 75 10.567 -9.844 -12.157 1.00 61.35 H new ATOM 0 HZ PHE A 75 8.969 -8.464 -13.424 1.00 1.44 H new ATOM 1197 N TRP A 76 7.464 -12.168 -9.344 1.00 34.22 N ATOM 1198 CA TRP A 76 7.609 -11.149 -8.310 1.00 73.33 C ATOM 1199 C TRP A 76 9.022 -10.578 -8.304 1.00 24.24 C ATOM 1200 O TRP A 76 9.996 -11.301 -8.518 1.00 43.34 O ATOM 1201 CB TRP A 76 7.276 -11.735 -6.937 1.00 73.33 C ATOM 1202 CG TRP A 76 7.261 -13.234 -6.919 1.00 11.13 C ATOM 1203 CD1 TRP A 76 8.333 -14.066 -7.071 1.00 21.14 C ATOM 1204 CD2 TRP A 76 6.118 -14.077 -6.740 1.00 70.50 C ATOM 1205 NE1 TRP A 76 7.925 -15.376 -6.997 1.00 65.21 N ATOM 1206 CE2 TRP A 76 6.571 -15.410 -6.794 1.00 23.12 C ATOM 1207 CE3 TRP A 76 4.756 -13.837 -6.538 1.00 24.03 C ATOM 1208 CZ2 TRP A 76 5.710 -16.495 -6.654 1.00 22.22 C ATOM 1209 CZ3 TRP A 76 3.903 -14.915 -6.399 1.00 70.02 C ATOM 1210 CH2 TRP A 76 4.382 -16.231 -6.457 1.00 1.50 C ATOM 0 H TRP A 76 8.308 -12.714 -9.520 1.00 34.22 H new ATOM 0 HA TRP A 76 6.912 -10.341 -8.531 1.00 73.33 H new ATOM 0 HB2 TRP A 76 8.006 -11.377 -6.210 1.00 73.33 H new ATOM 0 HB3 TRP A 76 6.301 -11.365 -6.619 1.00 73.33 H new ATOM 0 HD1 TRP A 76 9.351 -13.742 -7.226 1.00 21.14 H new ATOM 0 HE1 TRP A 76 8.532 -16.191 -7.080 1.00 65.21 H new ATOM 0 HE3 TRP A 76 4.377 -12.827 -6.491 1.00 24.03 H new ATOM 0 HZ2 TRP A 76 6.077 -17.510 -6.699 1.00 22.22 H new ATOM 0 HZ3 TRP A 76 2.849 -14.741 -6.243 1.00 70.02 H new ATOM 0 HH2 TRP A 76 3.690 -17.052 -6.344 1.00 1.50 H new ATOM 1221 N THR A 77 9.129 -9.276 -8.055 1.00 62.45 N ATOM 1222 CA THR A 77 10.424 -8.608 -8.022 1.00 20.51 C ATOM 1223 C THR A 77 10.765 -8.141 -6.612 1.00 10.34 C ATOM 1224 O THR A 77 9.879 -7.785 -5.834 1.00 24.55 O ATOM 1225 CB THR A 77 10.457 -7.398 -8.974 1.00 33.01 C ATOM 1226 OG1 THR A 77 9.223 -6.676 -8.891 1.00 73.32 O ATOM 1227 CG2 THR A 77 10.694 -7.844 -10.409 1.00 33.42 C ATOM 0 H THR A 77 8.334 -8.663 -7.873 1.00 62.45 H new ATOM 0 HA THR A 77 11.165 -9.338 -8.349 1.00 20.51 H new ATOM 0 HB THR A 77 11.279 -6.749 -8.672 1.00 33.01 H new ATOM 0 HG1 THR A 77 9.252 -5.907 -9.498 1.00 73.32 H new ATOM 0 HG21 THR A 77 10.713 -6.972 -11.063 1.00 33.42 H new ATOM 0 HG22 THR A 77 11.648 -8.368 -10.474 1.00 33.42 H new ATOM 0 HG23 THR A 77 9.891 -8.513 -10.720 1.00 33.42 H new ATOM 1235 N PHE A 78 12.054 -8.142 -6.288 1.00 71.21 N ATOM 1236 CA PHE A 78 12.512 -7.718 -4.970 1.00 52.23 C ATOM 1237 C PHE A 78 13.313 -6.423 -5.064 1.00 1.40 C ATOM 1238 O PHE A 78 14.057 -6.207 -6.021 1.00 72.21 O ATOM 1239 CB PHE A 78 13.365 -8.813 -4.326 1.00 54.13 C ATOM 1240 CG PHE A 78 12.796 -9.335 -3.038 1.00 23.41 C ATOM 1241 CD1 PHE A 78 11.805 -10.303 -3.045 1.00 31.50 C ATOM 1242 CD2 PHE A 78 13.254 -8.859 -1.820 1.00 34.11 C ATOM 1243 CE1 PHE A 78 11.280 -10.785 -1.861 1.00 33.31 C ATOM 1244 CE2 PHE A 78 12.732 -9.338 -0.632 1.00 44.55 C ATOM 1245 CZ PHE A 78 11.745 -10.303 -0.653 1.00 51.22 C ATOM 0 H PHE A 78 12.800 -8.432 -6.920 1.00 71.21 H new ATOM 0 HA PHE A 78 11.635 -7.538 -4.348 1.00 52.23 H new ATOM 0 HB2 PHE A 78 13.472 -9.640 -5.028 1.00 54.13 H new ATOM 0 HB3 PHE A 78 14.365 -8.421 -4.140 1.00 54.13 H new ATOM 0 HD1 PHE A 78 11.439 -10.685 -3.986 1.00 31.50 H new ATOM 0 HD2 PHE A 78 14.027 -8.105 -1.798 1.00 34.11 H new ATOM 0 HE1 PHE A 78 10.506 -11.538 -1.880 1.00 33.31 H new ATOM 0 HE2 PHE A 78 13.096 -8.958 0.311 1.00 44.55 H new ATOM 0 HZ PHE A 78 11.337 -10.680 0.273 1.00 51.22 H new ATOM 1255 N VAL A 79 13.155 -5.562 -4.063 1.00 61.30 N ATOM 1256 CA VAL A 79 13.863 -4.288 -4.031 1.00 63.20 C ATOM 1257 C VAL A 79 14.278 -3.926 -2.610 1.00 2.35 C ATOM 1258 O VAL A 79 13.839 -4.552 -1.645 1.00 74.40 O ATOM 1259 CB VAL A 79 12.999 -3.151 -4.608 1.00 22.14 C ATOM 1260 CG1 VAL A 79 13.618 -2.606 -5.886 1.00 12.54 C ATOM 1261 CG2 VAL A 79 11.579 -3.636 -4.858 1.00 1.13 C ATOM 0 H VAL A 79 12.543 -5.724 -3.264 1.00 61.30 H new ATOM 0 HA VAL A 79 14.754 -4.405 -4.648 1.00 63.20 H new ATOM 0 HB VAL A 79 12.959 -2.342 -3.879 1.00 22.14 H new ATOM 0 HG11 VAL A 79 12.994 -1.804 -6.279 1.00 12.54 H new ATOM 0 HG12 VAL A 79 14.614 -2.219 -5.671 1.00 12.54 H new ATOM 0 HG13 VAL A 79 13.690 -3.404 -6.624 1.00 12.54 H new ATOM 0 HG21 VAL A 79 10.982 -2.820 -5.266 1.00 1.13 H new ATOM 0 HG22 VAL A 79 11.597 -4.463 -5.568 1.00 1.13 H new ATOM 0 HG23 VAL A 79 11.139 -3.973 -3.919 1.00 1.13 H new ATOM 1271 N ILE A 80 15.127 -2.910 -2.488 1.00 35.45 N ATOM 1272 CA ILE A 80 15.600 -2.463 -1.183 1.00 75.33 C ATOM 1273 C ILE A 80 15.831 -0.956 -1.169 1.00 72.15 C ATOM 1274 O ILE A 80 16.887 -0.475 -1.580 1.00 41.21 O ATOM 1275 CB ILE A 80 16.905 -3.175 -0.784 1.00 23.45 C ATOM 1276 CG1 ILE A 80 16.677 -4.685 -0.679 1.00 43.23 C ATOM 1277 CG2 ILE A 80 17.429 -2.621 0.533 1.00 62.21 C ATOM 1278 CD1 ILE A 80 17.950 -5.475 -0.469 1.00 11.02 C ATOM 0 H ILE A 80 15.501 -2.382 -3.276 1.00 35.45 H new ATOM 0 HA ILE A 80 14.823 -2.716 -0.462 1.00 75.33 H new ATOM 0 HB ILE A 80 17.652 -2.992 -1.556 1.00 23.45 H new ATOM 0 HG12 ILE A 80 15.995 -4.885 0.147 1.00 43.23 H new ATOM 0 HG13 ILE A 80 16.188 -5.035 -1.588 1.00 43.23 H new ATOM 0 HG21 ILE A 80 18.352 -3.134 0.802 1.00 62.21 H new ATOM 0 HG22 ILE A 80 17.625 -1.554 0.427 1.00 62.21 H new ATOM 0 HG23 ILE A 80 16.686 -2.777 1.315 1.00 62.21 H new ATOM 0 HD11 ILE A 80 17.713 -6.537 -0.404 1.00 11.02 H new ATOM 0 HD12 ILE A 80 18.626 -5.305 -1.307 1.00 11.02 H new ATOM 0 HD13 ILE A 80 18.430 -5.153 0.455 1.00 11.02 H new ATOM 1290 N LYS A 81 14.837 -0.215 -0.693 1.00 14.14 N ATOM 1291 CA LYS A 81 14.931 1.238 -0.621 1.00 41.42 C ATOM 1292 C LYS A 81 14.925 1.714 0.828 1.00 33.53 C ATOM 1293 O LYS A 81 14.237 1.143 1.675 1.00 13.52 O ATOM 1294 CB LYS A 81 13.773 1.884 -1.386 1.00 31.54 C ATOM 1295 CG LYS A 81 13.769 3.401 -1.316 1.00 72.25 C ATOM 1296 CD LYS A 81 12.364 3.962 -1.465 1.00 25.04 C ATOM 1297 CE LYS A 81 12.093 5.060 -0.448 1.00 32.24 C ATOM 1298 NZ LYS A 81 10.926 5.900 -0.837 1.00 5.14 N ATOM 0 H LYS A 81 13.955 -0.597 -0.351 1.00 14.14 H new ATOM 0 HA LYS A 81 15.873 1.538 -1.079 1.00 41.42 H new ATOM 0 HB2 LYS A 81 13.823 1.577 -2.431 1.00 31.54 H new ATOM 0 HB3 LYS A 81 12.831 1.508 -0.988 1.00 31.54 H new ATOM 0 HG2 LYS A 81 14.192 3.723 -0.364 1.00 72.25 H new ATOM 0 HG3 LYS A 81 14.408 3.804 -2.102 1.00 72.25 H new ATOM 0 HD2 LYS A 81 12.234 4.357 -2.472 1.00 25.04 H new ATOM 0 HD3 LYS A 81 11.636 3.161 -1.340 1.00 25.04 H new ATOM 0 HE2 LYS A 81 11.909 4.613 0.529 1.00 32.24 H new ATOM 0 HE3 LYS A 81 12.977 5.690 -0.349 1.00 32.24 H new ATOM 0 HZ1 LYS A 81 10.774 6.637 -0.119 1.00 5.14 H new ATOM 0 HZ2 LYS A 81 11.111 6.347 -1.758 1.00 5.14 H new ATOM 0 HZ3 LYS A 81 10.077 5.304 -0.907 1.00 5.14 H new ATOM 1312 N ASP A 82 15.693 2.761 1.106 1.00 24.31 N ATOM 1313 CA ASP A 82 15.774 3.314 2.453 1.00 41.11 C ATOM 1314 C ASP A 82 16.119 2.228 3.467 1.00 62.21 C ATOM 1315 O ASP A 82 15.871 2.379 4.662 1.00 31.13 O ATOM 1316 CB ASP A 82 14.452 3.982 2.833 1.00 52.32 C ATOM 1317 CG ASP A 82 14.594 5.479 3.025 1.00 1.35 C ATOM 1318 OD1 ASP A 82 15.339 6.110 2.246 1.00 10.11 O ATOM 1319 OD2 ASP A 82 13.960 6.020 3.955 1.00 12.30 O ATOM 0 H ASP A 82 16.269 3.244 0.417 1.00 24.31 H new ATOM 0 HA ASP A 82 16.567 4.062 2.465 1.00 41.11 H new ATOM 0 HB2 ASP A 82 13.713 3.787 2.056 1.00 52.32 H new ATOM 0 HB3 ASP A 82 14.073 3.535 3.752 1.00 52.32 H new ATOM 1324 N GLY A 83 16.693 1.131 2.980 1.00 14.32 N ATOM 1325 CA GLY A 83 17.061 0.035 3.857 1.00 2.31 C ATOM 1326 C GLY A 83 15.854 -0.655 4.460 1.00 23.45 C ATOM 1327 O GLY A 83 15.935 -1.223 5.551 1.00 50.02 O ATOM 0 H GLY A 83 16.909 0.982 1.994 1.00 14.32 H new ATOM 0 HA2 GLY A 83 17.649 -0.692 3.297 1.00 2.31 H new ATOM 0 HA3 GLY A 83 17.698 0.412 4.657 1.00 2.31 H new ATOM 1331 N LEU A 84 14.732 -0.607 3.752 1.00 14.02 N ATOM 1332 CA LEU A 84 13.501 -1.232 4.225 1.00 1.11 C ATOM 1333 C LEU A 84 13.309 -2.605 3.590 1.00 30.41 C ATOM 1334 O LEU A 84 13.463 -3.632 4.249 1.00 23.45 O ATOM 1335 CB LEU A 84 12.299 -0.339 3.911 1.00 61.44 C ATOM 1336 CG LEU A 84 11.877 0.631 5.014 1.00 1.40 C ATOM 1337 CD1 LEU A 84 10.538 1.269 4.680 1.00 13.41 C ATOM 1338 CD2 LEU A 84 11.810 -0.083 6.356 1.00 51.00 C ATOM 0 H LEU A 84 14.648 -0.142 2.848 1.00 14.02 H new ATOM 0 HA LEU A 84 13.579 -1.359 5.305 1.00 1.11 H new ATOM 0 HB2 LEU A 84 12.525 0.238 3.014 1.00 61.44 H new ATOM 0 HB3 LEU A 84 11.449 -0.979 3.673 1.00 61.44 H new ATOM 0 HG LEU A 84 12.625 1.421 5.083 1.00 1.40 H new ATOM 0 HD11 LEU A 84 10.254 1.957 5.477 1.00 13.41 H new ATOM 0 HD12 LEU A 84 10.620 1.816 3.741 1.00 13.41 H new ATOM 0 HD13 LEU A 84 9.779 0.493 4.583 1.00 13.41 H new ATOM 0 HD21 LEU A 84 11.508 0.623 7.129 1.00 51.00 H new ATOM 0 HD22 LEU A 84 11.083 -0.894 6.301 1.00 51.00 H new ATOM 0 HD23 LEU A 84 12.791 -0.491 6.600 1.00 51.00 H new ATOM 1350 N GLY A 85 12.973 -2.615 2.304 1.00 70.44 N ATOM 1351 CA GLY A 85 12.768 -3.868 1.600 1.00 34.13 C ATOM 1352 C GLY A 85 11.369 -3.990 1.029 1.00 13.32 C ATOM 1353 O GLY A 85 10.398 -4.139 1.772 1.00 23.40 O ATOM 0 H GLY A 85 12.839 -1.778 1.737 1.00 70.44 H new ATOM 0 HA2 GLY A 85 13.495 -3.951 0.792 1.00 34.13 H new ATOM 0 HA3 GLY A 85 12.953 -4.698 2.281 1.00 34.13 H new ATOM 1357 N TYR A 86 11.264 -3.924 -0.293 1.00 53.23 N ATOM 1358 CA TYR A 86 9.973 -4.023 -0.963 1.00 74.54 C ATOM 1359 C TYR A 86 9.963 -5.180 -1.959 1.00 2.24 C ATOM 1360 O TYR A 86 11.016 -5.672 -2.366 1.00 13.51 O ATOM 1361 CB TYR A 86 9.646 -2.714 -1.683 1.00 55.10 C ATOM 1362 CG TYR A 86 9.504 -1.531 -0.752 1.00 51.34 C ATOM 1363 CD1 TYR A 86 8.321 -1.304 -0.060 1.00 22.04 C ATOM 1364 CD2 TYR A 86 10.554 -0.640 -0.565 1.00 53.34 C ATOM 1365 CE1 TYR A 86 8.187 -0.224 0.791 1.00 44.21 C ATOM 1366 CE2 TYR A 86 10.429 0.442 0.284 1.00 4.53 C ATOM 1367 CZ TYR A 86 9.244 0.646 0.960 1.00 42.43 C ATOM 1368 OH TYR A 86 9.115 1.723 1.807 1.00 24.12 O ATOM 0 H TYR A 86 12.057 -3.802 -0.922 1.00 53.23 H new ATOM 0 HA TYR A 86 9.213 -4.213 -0.205 1.00 74.54 H new ATOM 0 HB2 TYR A 86 10.431 -2.502 -2.409 1.00 55.10 H new ATOM 0 HB3 TYR A 86 8.719 -2.839 -2.243 1.00 55.10 H new ATOM 0 HD1 TYR A 86 7.492 -1.984 -0.190 1.00 22.04 H new ATOM 0 HD2 TYR A 86 11.483 -0.796 -1.092 1.00 53.34 H new ATOM 0 HE1 TYR A 86 7.260 -0.062 1.321 1.00 44.21 H new ATOM 0 HE2 TYR A 86 11.255 1.125 0.418 1.00 4.53 H new ATOM 0 HH TYR A 86 8.490 1.499 2.528 1.00 24.12 H new ATOM 1378 N ARG A 87 8.766 -5.608 -2.346 1.00 64.42 N ATOM 1379 CA ARG A 87 8.618 -6.707 -3.293 1.00 41.12 C ATOM 1380 C ARG A 87 7.208 -6.736 -3.876 1.00 20.03 C ATOM 1381 O ARG A 87 6.222 -6.707 -3.140 1.00 22.33 O ATOM 1382 CB ARG A 87 8.927 -8.041 -2.612 1.00 25.13 C ATOM 1383 CG ARG A 87 8.570 -9.254 -3.456 1.00 12.53 C ATOM 1384 CD ARG A 87 7.737 -10.254 -2.669 1.00 52.43 C ATOM 1385 NE ARG A 87 6.437 -9.706 -2.291 1.00 53.15 N ATOM 1386 CZ ARG A 87 5.714 -10.163 -1.275 1.00 72.33 C ATOM 1387 NH1 ARG A 87 6.162 -11.171 -0.539 1.00 1.31 N ATOM 1388 NH2 ARG A 87 4.540 -9.613 -0.994 1.00 10.54 N ATOM 0 H ARG A 87 7.885 -5.211 -2.019 1.00 64.42 H new ATOM 0 HA ARG A 87 9.326 -6.550 -4.107 1.00 41.12 H new ATOM 0 HB2 ARG A 87 9.989 -8.078 -2.369 1.00 25.13 H new ATOM 0 HB3 ARG A 87 8.383 -8.092 -1.669 1.00 25.13 H new ATOM 0 HG2 ARG A 87 8.018 -8.934 -4.340 1.00 12.53 H new ATOM 0 HG3 ARG A 87 9.483 -9.736 -3.807 1.00 12.53 H new ATOM 0 HD2 ARG A 87 7.591 -11.154 -3.266 1.00 52.43 H new ATOM 0 HD3 ARG A 87 8.280 -10.551 -1.772 1.00 52.43 H new ATOM 0 HE ARG A 87 6.064 -8.930 -2.837 1.00 53.15 H new ATOM 0 HH11 ARG A 87 7.064 -11.597 -0.753 1.00 1.31 H new ATOM 0 HH12 ARG A 87 5.605 -11.520 0.241 1.00 1.31 H new ATOM 0 HH21 ARG A 87 4.192 -8.838 -1.559 1.00 10.54 H new ATOM 0 HH22 ARG A 87 3.986 -9.965 -0.213 1.00 10.54 H new ATOM 1402 N GLN A 88 7.122 -6.793 -5.201 1.00 12.52 N ATOM 1403 CA GLN A 88 5.833 -6.824 -5.881 1.00 75.12 C ATOM 1404 C GLN A 88 5.245 -8.232 -5.870 1.00 3.42 C ATOM 1405 O GLN A 88 5.978 -9.221 -5.855 1.00 44.52 O ATOM 1406 CB GLN A 88 5.980 -6.332 -7.322 1.00 23.00 C ATOM 1407 CG GLN A 88 4.683 -5.818 -7.925 1.00 61.35 C ATOM 1408 CD GLN A 88 4.506 -4.324 -7.742 1.00 52.11 C ATOM 1409 OE1 GLN A 88 4.908 -3.760 -6.724 1.00 43.44 O ATOM 1410 NE2 GLN A 88 3.901 -3.674 -8.729 1.00 52.33 N ATOM 0 H GLN A 88 7.929 -6.819 -5.824 1.00 12.52 H new ATOM 0 HA GLN A 88 5.153 -6.161 -5.346 1.00 75.12 H new ATOM 0 HB2 GLN A 88 6.725 -5.537 -7.351 1.00 23.00 H new ATOM 0 HB3 GLN A 88 6.360 -7.147 -7.938 1.00 23.00 H new ATOM 0 HG2 GLN A 88 4.663 -6.055 -8.989 1.00 61.35 H new ATOM 0 HG3 GLN A 88 3.842 -6.338 -7.466 1.00 61.35 H new ATOM 0 HE21 GLN A 88 3.584 -4.182 -9.555 1.00 52.33 H new ATOM 0 HE22 GLN A 88 3.753 -2.667 -8.661 1.00 52.33 H new ATOM 1419 N ASP A 89 3.919 -8.314 -5.876 1.00 65.00 N ATOM 1420 CA ASP A 89 3.233 -9.601 -5.867 1.00 44.21 C ATOM 1421 C ASP A 89 2.141 -9.642 -6.931 1.00 42.34 C ATOM 1422 O ASP A 89 2.158 -8.861 -7.882 1.00 62.42 O ATOM 1423 CB ASP A 89 2.629 -9.871 -4.488 1.00 64.32 C ATOM 1424 CG ASP A 89 1.176 -9.449 -4.400 1.00 2.54 C ATOM 1425 OD1 ASP A 89 0.823 -8.412 -4.999 1.00 74.14 O ATOM 1426 OD2 ASP A 89 0.393 -10.154 -3.730 1.00 15.33 O ATOM 0 H ASP A 89 3.298 -7.505 -5.887 1.00 65.00 H new ATOM 0 HA ASP A 89 3.965 -10.377 -6.093 1.00 44.21 H new ATOM 0 HB2 ASP A 89 2.710 -10.934 -4.261 1.00 64.32 H new ATOM 0 HB3 ASP A 89 3.205 -9.339 -3.731 1.00 64.32 H new ATOM 1431 N ASN A 90 1.193 -10.558 -6.764 1.00 62.23 N ATOM 1432 CA ASN A 90 0.094 -10.702 -7.712 1.00 32.13 C ATOM 1433 C ASN A 90 0.514 -11.550 -8.908 1.00 63.22 C ATOM 1434 O ASN A 90 -0.273 -12.337 -9.432 1.00 52.55 O ATOM 1435 CB ASN A 90 -0.380 -9.327 -8.188 1.00 23.40 C ATOM 1436 CG ASN A 90 -1.884 -9.266 -8.373 1.00 64.23 C ATOM 1437 OD1 ASN A 90 -2.508 -8.232 -8.137 1.00 2.31 O ATOM 1438 ND2 ASN A 90 -2.473 -10.378 -8.798 1.00 40.21 N ATOM 0 H ASN A 90 1.163 -11.212 -5.981 1.00 62.23 H new ATOM 0 HA ASN A 90 -0.728 -11.206 -7.203 1.00 32.13 H new ATOM 0 HB2 ASN A 90 -0.075 -8.570 -7.465 1.00 23.40 H new ATOM 0 HB3 ASN A 90 0.109 -9.083 -9.131 1.00 23.40 H new ATOM 0 HD21 ASN A 90 -3.483 -10.398 -8.941 1.00 40.21 H new ATOM 0 HD22 ASN A 90 -1.916 -11.212 -8.981 1.00 40.21 H new ATOM 1445 N GLY A 91 1.763 -11.385 -9.335 1.00 12.52 N ATOM 1446 CA GLY A 91 2.267 -12.141 -10.466 1.00 32.42 C ATOM 1447 C GLY A 91 1.263 -12.229 -11.598 1.00 60.52 C ATOM 1448 O GLY A 91 0.597 -13.250 -11.767 1.00 64.44 O ATOM 0 H GLY A 91 2.434 -10.741 -8.917 1.00 12.52 H new ATOM 0 HA2 GLY A 91 3.182 -11.675 -10.832 1.00 32.42 H new ATOM 0 HA3 GLY A 91 2.530 -13.147 -10.139 1.00 32.42 H new ATOM 1452 N GLU A 92 1.153 -11.156 -12.374 1.00 51.23 N ATOM 1453 CA GLU A 92 0.221 -11.116 -13.495 1.00 35.33 C ATOM 1454 C GLU A 92 0.441 -9.866 -14.342 1.00 34.31 C ATOM 1455 O GLU A 92 0.167 -8.750 -13.902 1.00 54.31 O ATOM 1456 CB GLU A 92 -1.223 -11.155 -12.988 1.00 4.53 C ATOM 1457 CG GLU A 92 -2.256 -10.894 -14.071 1.00 64.42 C ATOM 1458 CD GLU A 92 -3.667 -10.811 -13.524 1.00 11.34 C ATOM 1459 OE1 GLU A 92 -3.915 -11.366 -12.433 1.00 60.21 O ATOM 1460 OE2 GLU A 92 -4.524 -10.189 -14.186 1.00 61.03 O ATOM 0 H GLU A 92 1.697 -10.303 -12.247 1.00 51.23 H new ATOM 0 HA GLU A 92 0.404 -11.992 -14.118 1.00 35.33 H new ATOM 0 HB2 GLU A 92 -1.416 -12.130 -12.541 1.00 4.53 H new ATOM 0 HB3 GLU A 92 -1.342 -10.413 -12.198 1.00 4.53 H new ATOM 0 HG2 GLU A 92 -2.013 -9.962 -14.582 1.00 64.42 H new ATOM 0 HG3 GLU A 92 -2.205 -11.689 -14.815 1.00 64.42 H new ATOM 1467 N TRP A 93 0.937 -10.063 -15.558 1.00 22.23 N ATOM 1468 CA TRP A 93 1.195 -8.952 -16.467 1.00 20.21 C ATOM 1469 C TRP A 93 1.013 -9.383 -17.918 1.00 42.11 C ATOM 1470 O TRP A 93 1.705 -10.280 -18.402 1.00 13.11 O ATOM 1471 CB TRP A 93 2.610 -8.411 -16.256 1.00 22.51 C ATOM 1472 CG TRP A 93 2.778 -7.676 -14.961 1.00 50.40 C ATOM 1473 CD1 TRP A 93 2.336 -6.416 -14.671 1.00 21.43 C ATOM 1474 CD2 TRP A 93 3.436 -8.154 -13.783 1.00 11.33 C ATOM 1475 NE1 TRP A 93 2.680 -6.083 -13.383 1.00 13.12 N ATOM 1476 CE2 TRP A 93 3.354 -7.132 -12.816 1.00 43.14 C ATOM 1477 CE3 TRP A 93 4.084 -9.346 -13.449 1.00 40.20 C ATOM 1478 CZ2 TRP A 93 3.898 -7.268 -11.542 1.00 32.12 C ATOM 1479 CZ3 TRP A 93 4.623 -9.479 -12.184 1.00 22.33 C ATOM 1480 CH2 TRP A 93 4.527 -8.446 -11.242 1.00 52.13 C ATOM 0 H TRP A 93 1.169 -10.981 -15.937 1.00 22.23 H new ATOM 0 HA TRP A 93 0.476 -8.162 -16.249 1.00 20.21 H new ATOM 0 HB2 TRP A 93 3.317 -9.240 -16.289 1.00 22.51 H new ATOM 0 HB3 TRP A 93 2.863 -7.743 -17.080 1.00 22.51 H new ATOM 0 HD1 TRP A 93 1.796 -5.776 -15.353 1.00 21.43 H new ATOM 0 HE1 TRP A 93 2.468 -5.198 -12.923 1.00 13.12 H new ATOM 0 HE3 TRP A 93 4.162 -10.149 -14.167 1.00 40.20 H new ATOM 0 HZ2 TRP A 93 3.826 -6.472 -10.816 1.00 32.12 H new ATOM 0 HZ3 TRP A 93 5.127 -10.396 -11.916 1.00 22.33 H new ATOM 0 HH2 TRP A 93 4.957 -8.582 -10.261 1.00 52.13 H new ATOM 1491 N THR A 94 0.078 -8.738 -18.610 1.00 25.42 N ATOM 1492 CA THR A 94 -0.194 -9.056 -20.006 1.00 15.22 C ATOM 1493 C THR A 94 0.671 -8.217 -20.940 1.00 32.54 C ATOM 1494 O THR A 94 0.904 -7.035 -20.691 1.00 43.51 O ATOM 1495 CB THR A 94 -1.677 -8.827 -20.354 1.00 52.45 C ATOM 1496 OG1 THR A 94 -2.513 -9.501 -19.408 1.00 31.44 O ATOM 1497 CG2 THR A 94 -1.987 -9.326 -21.758 1.00 5.22 C ATOM 0 H THR A 94 -0.503 -7.993 -18.226 1.00 25.42 H new ATOM 0 HA THR A 94 0.046 -10.110 -20.143 1.00 15.22 H new ATOM 0 HB THR A 94 -1.875 -7.756 -20.314 1.00 52.45 H new ATOM 0 HG1 THR A 94 -3.454 -9.349 -19.636 1.00 31.44 H new ATOM 0 HG21 THR A 94 -3.040 -9.154 -21.981 1.00 5.22 H new ATOM 0 HG22 THR A 94 -1.371 -8.789 -22.479 1.00 5.22 H new ATOM 0 HG23 THR A 94 -1.773 -10.393 -21.820 1.00 5.22 H new ATOM 1505 N VAL A 95 1.144 -8.837 -22.016 1.00 62.31 N ATOM 1506 CA VAL A 95 1.983 -8.147 -22.989 1.00 32.22 C ATOM 1507 C VAL A 95 1.152 -7.225 -23.874 1.00 3.52 C ATOM 1508 O VAL A 95 0.189 -7.657 -24.505 1.00 52.34 O ATOM 1509 CB VAL A 95 2.746 -9.145 -23.880 1.00 2.01 C ATOM 1510 CG1 VAL A 95 3.704 -8.410 -24.805 1.00 63.31 C ATOM 1511 CG2 VAL A 95 3.490 -10.160 -23.026 1.00 21.42 C ATOM 0 H VAL A 95 0.961 -9.816 -22.236 1.00 62.31 H new ATOM 0 HA VAL A 95 2.701 -7.554 -22.424 1.00 32.22 H new ATOM 0 HB VAL A 95 2.024 -9.682 -24.496 1.00 2.01 H new ATOM 0 HG11 VAL A 95 4.234 -9.131 -25.427 1.00 63.31 H new ATOM 0 HG12 VAL A 95 3.143 -7.726 -25.441 1.00 63.31 H new ATOM 0 HG13 VAL A 95 4.423 -7.846 -24.211 1.00 63.31 H new ATOM 0 HG21 VAL A 95 4.024 -10.857 -23.672 1.00 21.42 H new ATOM 0 HG22 VAL A 95 4.203 -9.642 -22.384 1.00 21.42 H new ATOM 0 HG23 VAL A 95 2.778 -10.709 -22.410 1.00 21.42 H new ATOM 1521 N GLU A 96 1.533 -5.952 -23.914 1.00 43.44 N ATOM 1522 CA GLU A 96 0.823 -4.968 -24.722 1.00 54.45 C ATOM 1523 C GLU A 96 1.782 -3.907 -25.257 1.00 35.44 C ATOM 1524 O GLU A 96 1.370 -2.801 -25.604 1.00 61.45 O ATOM 1525 CB GLU A 96 -0.283 -4.303 -23.900 1.00 55.24 C ATOM 1526 CG GLU A 96 -1.487 -5.199 -23.663 1.00 13.14 C ATOM 1527 CD GLU A 96 -2.781 -4.417 -23.537 1.00 24.33 C ATOM 1528 OE1 GLU A 96 -3.028 -3.538 -24.388 1.00 11.45 O ATOM 1529 OE2 GLU A 96 -3.545 -4.686 -22.587 1.00 34.34 O ATOM 0 H GLU A 96 2.329 -5.578 -23.397 1.00 43.44 H new ATOM 0 HA GLU A 96 0.375 -5.487 -25.569 1.00 54.45 H new ATOM 0 HB2 GLU A 96 0.126 -3.996 -22.937 1.00 55.24 H new ATOM 0 HB3 GLU A 96 -0.610 -3.397 -24.411 1.00 55.24 H new ATOM 0 HG2 GLU A 96 -1.574 -5.909 -24.486 1.00 13.14 H new ATOM 0 HG3 GLU A 96 -1.329 -5.781 -22.755 1.00 13.14 H new ATOM 1536 N GLY A 97 3.064 -4.254 -25.318 1.00 33.32 N ATOM 1537 CA GLY A 97 4.062 -3.322 -25.809 1.00 74.44 C ATOM 1538 C GLY A 97 5.281 -4.023 -26.375 1.00 32.40 C ATOM 1539 O GLY A 97 6.019 -4.686 -25.646 1.00 32.23 O ATOM 0 H GLY A 97 3.429 -5.164 -25.036 1.00 33.32 H new ATOM 0 HA2 GLY A 97 3.618 -2.692 -26.580 1.00 74.44 H new ATOM 0 HA3 GLY A 97 4.370 -2.663 -24.997 1.00 74.44 H new ATOM 1543 N PHE A 98 5.493 -3.879 -27.679 1.00 13.11 N ATOM 1544 CA PHE A 98 6.630 -4.506 -28.343 1.00 13.13 C ATOM 1545 C PHE A 98 7.858 -3.603 -28.287 1.00 2.45 C ATOM 1546 O PHE A 98 7.776 -2.450 -27.862 1.00 43.12 O ATOM 1547 CB PHE A 98 6.284 -4.826 -29.798 1.00 64.25 C ATOM 1548 CG PHE A 98 6.776 -6.172 -30.249 1.00 34.21 C ATOM 1549 CD1 PHE A 98 6.270 -7.333 -29.686 1.00 53.14 C ATOM 1550 CD2 PHE A 98 7.744 -6.277 -31.235 1.00 11.34 C ATOM 1551 CE1 PHE A 98 6.719 -8.573 -30.099 1.00 23.21 C ATOM 1552 CE2 PHE A 98 8.197 -7.514 -31.651 1.00 71.14 C ATOM 1553 CZ PHE A 98 7.685 -8.664 -31.082 1.00 0.30 C ATOM 0 H PHE A 98 4.892 -3.334 -28.297 1.00 13.11 H new ATOM 0 HA PHE A 98 6.859 -5.434 -27.819 1.00 13.13 H new ATOM 0 HB2 PHE A 98 5.202 -4.783 -29.924 1.00 64.25 H new ATOM 0 HB3 PHE A 98 6.711 -4.057 -30.442 1.00 64.25 H new ATOM 0 HD1 PHE A 98 5.516 -7.268 -28.916 1.00 53.14 H new ATOM 0 HD2 PHE A 98 8.149 -5.382 -31.683 1.00 11.34 H new ATOM 0 HE1 PHE A 98 6.315 -9.470 -29.654 1.00 23.21 H new ATOM 0 HE2 PHE A 98 8.951 -7.582 -32.421 1.00 71.14 H new ATOM 0 HZ PHE A 98 8.039 -9.632 -31.405 1.00 0.30 H new ATOM 1563 N VAL A 99 8.997 -4.135 -28.717 1.00 63.34 N ATOM 1564 CA VAL A 99 10.244 -3.378 -28.717 1.00 75.52 C ATOM 1565 C VAL A 99 11.319 -4.091 -29.529 1.00 42.24 C ATOM 1566 O VAL A 99 11.264 -5.306 -29.721 1.00 4.31 O ATOM 1567 CB VAL A 99 10.763 -3.152 -27.285 1.00 34.41 C ATOM 1568 CG1 VAL A 99 10.684 -1.679 -26.915 1.00 22.24 C ATOM 1569 CG2 VAL A 99 9.980 -4.002 -26.295 1.00 2.12 C ATOM 0 H VAL A 99 9.083 -5.088 -29.070 1.00 63.34 H new ATOM 0 HA VAL A 99 10.028 -2.412 -29.174 1.00 75.52 H new ATOM 0 HB VAL A 99 11.809 -3.457 -27.243 1.00 34.41 H new ATOM 0 HG11 VAL A 99 11.055 -1.538 -25.900 1.00 22.24 H new ATOM 0 HG12 VAL A 99 11.292 -1.097 -27.607 1.00 22.24 H new ATOM 0 HG13 VAL A 99 9.648 -1.344 -26.972 1.00 22.24 H new ATOM 0 HG21 VAL A 99 10.360 -3.830 -25.288 1.00 2.12 H new ATOM 0 HG22 VAL A 99 8.925 -3.730 -26.336 1.00 2.12 H new ATOM 0 HG23 VAL A 99 10.093 -5.056 -26.551 1.00 2.12 H new ATOM 1579 N ASP A 100 12.297 -3.327 -30.004 1.00 72.05 N ATOM 1580 CA ASP A 100 13.387 -3.885 -30.795 1.00 65.14 C ATOM 1581 C ASP A 100 14.712 -3.777 -30.047 1.00 3.31 C ATOM 1582 O ASP A 100 15.067 -2.710 -29.546 1.00 32.34 O ATOM 1583 CB ASP A 100 13.488 -3.167 -32.142 1.00 63.53 C ATOM 1584 CG ASP A 100 13.955 -1.732 -32.000 1.00 73.00 C ATOM 1585 OD1 ASP A 100 15.153 -1.523 -31.715 1.00 15.54 O ATOM 1586 OD2 ASP A 100 13.122 -0.818 -32.175 1.00 22.01 O ATOM 0 H ASP A 100 12.357 -2.320 -29.855 1.00 72.05 H new ATOM 0 HA ASP A 100 13.173 -4.940 -30.969 1.00 65.14 H new ATOM 0 HB2 ASP A 100 14.179 -3.709 -32.788 1.00 63.53 H new ATOM 0 HB3 ASP A 100 12.515 -3.182 -32.632 1.00 63.53 H new ATOM 1591 N GLU A 101 15.438 -4.888 -29.975 1.00 44.00 N ATOM 1592 CA GLU A 101 16.723 -4.917 -29.286 1.00 30.13 C ATOM 1593 C GLU A 101 17.876 -4.824 -30.280 1.00 65.54 C ATOM 1594 O GLU A 101 18.905 -5.480 -30.117 1.00 72.54 O ATOM 1595 CB GLU A 101 16.852 -6.196 -28.455 1.00 45.14 C ATOM 1596 CG GLU A 101 17.666 -6.017 -27.185 1.00 4.21 C ATOM 1597 CD GLU A 101 18.324 -7.304 -26.727 1.00 63.13 C ATOM 1598 OE1 GLU A 101 17.591 -8.266 -26.415 1.00 2.20 O ATOM 1599 OE2 GLU A 101 19.571 -7.350 -26.681 1.00 62.03 O ATOM 0 H GLU A 101 15.159 -5.779 -30.385 1.00 44.00 H new ATOM 0 HA GLU A 101 16.770 -4.054 -28.621 1.00 30.13 H new ATOM 0 HB2 GLU A 101 15.855 -6.550 -28.191 1.00 45.14 H new ATOM 0 HB3 GLU A 101 17.314 -6.971 -29.066 1.00 45.14 H new ATOM 0 HG2 GLU A 101 18.433 -5.261 -27.353 1.00 4.21 H new ATOM 0 HG3 GLU A 101 17.018 -5.643 -26.392 1.00 4.21 H new ATOM 1606 N ALA A 102 17.697 -4.005 -31.311 1.00 74.34 N ATOM 1607 CA ALA A 102 18.722 -3.825 -32.332 1.00 33.21 C ATOM 1608 C ALA A 102 18.916 -2.349 -32.660 1.00 52.24 C ATOM 1609 O ALA A 102 17.959 -1.644 -32.984 1.00 31.10 O ATOM 1610 CB ALA A 102 18.359 -4.604 -33.588 1.00 30.14 C ATOM 0 H ALA A 102 16.851 -3.455 -31.461 1.00 74.34 H new ATOM 0 HA ALA A 102 19.663 -4.210 -31.939 1.00 33.21 H new ATOM 0 HB1 ALA A 102 19.133 -4.460 -34.342 1.00 30.14 H new ATOM 0 HB2 ALA A 102 18.278 -5.664 -33.348 1.00 30.14 H new ATOM 0 HB3 ALA A 102 17.405 -4.246 -33.975 1.00 30.14 H new