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= -2.21! C(o=-2.2!,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -160:sc= -0.135 USER MOD Single : A 26 SER OG : rot -21:sc= 0.263 USER MOD Single : A 31 HIS : no HD1:sc= -6.58! C(o=-6.6!,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -6.65! C(o=-6.7!,f=-3.4!) USER MOD Single : A 38 MET CE :methyl 165:sc= -1.67 (180deg=-1.98) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 36:sc= 0.675 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+ -109:sc= -1.25 (180deg=-4.22!) USER MOD Single : A 55 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.3!) USER MOD Single : A 64 ASN : amide:sc= -0.142 K(o=-0.14,f=0.39) 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= -0.669 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 -129:sc= -1.55! USER MOD Single : A 88 GLN : amide:sc= -7.34! C(o=-7.3!,f=-12!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 3 6.215 -1.837 -3.673 1.00 2.11 N ATOM 38 CA ALA A 3 6.990 -1.685 -4.898 1.00 61.21 C ATOM 39 C ALA A 3 6.116 -1.180 -6.041 1.00 63.23 C ATOM 40 O ALA A 3 4.963 -1.583 -6.198 1.00 3.42 O ATOM 41 CB ALA A 3 7.645 -3.006 -5.275 1.00 51.34 C ATOM 0 HA ALA A 3 7.769 -0.944 -4.717 1.00 61.21 H new ATOM 0 HB1 ALA A 3 8.221 -2.878 -6.192 1.00 51.34 H new ATOM 0 HB2 ALA A 3 8.309 -3.325 -4.471 1.00 51.34 H new ATOM 0 HB3 ALA A 3 6.876 -3.762 -5.432 1.00 51.34 H new ATOM 47 N PRO A 4 6.675 -0.277 -6.860 1.00 4.20 N ATOM 48 CA PRO A 4 5.964 0.303 -8.003 1.00 60.32 C ATOM 49 C PRO A 4 5.736 -0.712 -9.119 1.00 14.44 C ATOM 50 O PRO A 4 6.313 -1.799 -9.129 1.00 73.12 O ATOM 51 CB PRO A 4 6.901 1.416 -8.477 1.00 5.31 C ATOM 52 CG PRO A 4 8.255 0.990 -8.024 1.00 62.00 C ATOM 53 CD PRO A 4 8.045 0.248 -6.733 1.00 44.01 C ATOM 0 HA PRO A 4 4.969 0.653 -7.729 1.00 60.32 H new ATOM 0 HB2 PRO A 4 6.864 1.530 -9.560 1.00 5.31 H new ATOM 0 HB3 PRO A 4 6.624 2.378 -8.045 1.00 5.31 H new ATOM 0 HG2 PRO A 4 8.733 0.352 -8.768 1.00 62.00 H new ATOM 0 HG3 PRO A 4 8.907 1.851 -7.878 1.00 62.00 H new ATOM 0 HD2 PRO A 4 8.773 -0.554 -6.608 1.00 44.01 H new ATOM 0 HD3 PRO A 4 8.145 0.907 -5.870 1.00 44.01 H new ATOM 61 N PRO A 5 4.874 -0.350 -10.081 1.00 62.01 N ATOM 62 CA PRO A 5 4.551 -1.215 -11.220 1.00 12.13 C ATOM 63 C PRO A 5 5.721 -1.363 -12.186 1.00 51.42 C ATOM 64 O PRO A 5 6.365 -0.379 -12.551 1.00 32.32 O ATOM 65 CB PRO A 5 3.386 -0.489 -11.897 1.00 50.41 C ATOM 66 CG PRO A 5 3.557 0.941 -11.514 1.00 35.22 C ATOM 67 CD PRO A 5 4.150 0.931 -10.132 1.00 42.23 C ATOM 0 HA PRO A 5 4.313 -2.231 -10.906 1.00 12.13 H new ATOM 0 HB2 PRO A 5 3.416 -0.615 -12.979 1.00 50.41 H new ATOM 0 HB3 PRO A 5 2.426 -0.878 -11.557 1.00 50.41 H new ATOM 0 HG2 PRO A 5 4.212 1.457 -12.216 1.00 35.22 H new ATOM 0 HG3 PRO A 5 2.601 1.465 -11.525 1.00 35.22 H new ATOM 0 HD2 PRO A 5 4.819 1.777 -9.976 1.00 42.23 H new ATOM 0 HD3 PRO A 5 3.379 0.988 -9.363 1.00 42.23 H new ATOM 75 N ALA A 6 5.990 -2.597 -12.598 1.00 21.20 N ATOM 76 CA ALA A 6 7.081 -2.873 -13.524 1.00 42.44 C ATOM 77 C ALA A 6 6.625 -2.720 -14.971 1.00 74.03 C ATOM 78 O ALA A 6 5.531 -3.152 -15.338 1.00 11.35 O ATOM 79 CB ALA A 6 7.634 -4.270 -13.288 1.00 22.20 C ATOM 0 H ALA A 6 5.467 -3.422 -12.305 1.00 21.20 H new ATOM 0 HA ALA A 6 7.872 -2.146 -13.341 1.00 42.44 H new ATOM 0 HB1 ALA A 6 8.448 -4.462 -13.987 1.00 22.20 H new ATOM 0 HB2 ALA A 6 8.007 -4.346 -12.267 1.00 22.20 H new ATOM 0 HB3 ALA A 6 6.844 -5.005 -13.441 1.00 22.20 H new ATOM 85 N THR A 7 7.469 -2.102 -15.792 1.00 30.24 N ATOM 86 CA THR A 7 7.151 -1.891 -17.198 1.00 43.12 C ATOM 87 C THR A 7 7.716 -3.011 -18.064 1.00 22.32 C ATOM 88 O THR A 7 8.736 -2.839 -18.732 1.00 63.14 O ATOM 89 CB THR A 7 7.700 -0.542 -17.702 1.00 32.44 C ATOM 90 OG1 THR A 7 7.254 0.517 -16.848 1.00 10.31 O ATOM 91 CG2 THR A 7 7.249 -0.274 -19.129 1.00 40.14 C ATOM 0 H THR A 7 8.378 -1.739 -15.506 1.00 30.24 H new ATOM 0 HA THR A 7 6.064 -1.886 -17.278 1.00 43.12 H new ATOM 0 HB THR A 7 8.789 -0.588 -17.685 1.00 32.44 H new ATOM 0 HG1 THR A 7 7.608 1.371 -17.173 1.00 10.31 H new ATOM 0 HG21 THR A 7 7.649 0.683 -19.463 1.00 40.14 H new ATOM 0 HG22 THR A 7 7.615 -1.067 -19.781 1.00 40.14 H new ATOM 0 HG23 THR A 7 6.160 -0.246 -19.167 1.00 40.14 H new ATOM 99 N LEU A 8 7.047 -4.159 -18.048 1.00 65.00 N ATOM 100 CA LEU A 8 7.483 -5.309 -18.833 1.00 52.00 C ATOM 101 C LEU A 8 7.112 -5.137 -20.303 1.00 31.04 C ATOM 102 O LEU A 8 5.942 -5.229 -20.672 1.00 13.35 O ATOM 103 CB LEU A 8 6.857 -6.592 -18.284 1.00 61.42 C ATOM 104 CG LEU A 8 6.916 -6.772 -16.767 1.00 31.12 C ATOM 105 CD1 LEU A 8 5.582 -6.406 -16.134 1.00 23.11 C ATOM 106 CD2 LEU A 8 7.302 -8.201 -16.414 1.00 34.14 C ATOM 0 H LEU A 8 6.201 -4.318 -17.501 1.00 65.00 H new ATOM 0 HA LEU A 8 8.568 -5.380 -18.757 1.00 52.00 H new ATOM 0 HB2 LEU A 8 5.812 -6.624 -18.593 1.00 61.42 H new ATOM 0 HB3 LEU A 8 7.353 -7.443 -18.750 1.00 61.42 H new ATOM 0 HG LEU A 8 7.679 -6.102 -16.370 1.00 31.12 H new ATOM 0 HD11 LEU A 8 5.643 -6.540 -15.054 1.00 23.11 H new ATOM 0 HD12 LEU A 8 5.346 -5.366 -16.358 1.00 23.11 H new ATOM 0 HD13 LEU A 8 4.800 -7.050 -16.536 1.00 23.11 H new ATOM 0 HD21 LEU A 8 7.339 -8.311 -15.330 1.00 34.14 H new ATOM 0 HD22 LEU A 8 6.563 -8.889 -16.823 1.00 34.14 H new ATOM 0 HD23 LEU A 8 8.281 -8.428 -16.835 1.00 34.14 H new ATOM 118 N GLU A 9 8.117 -4.889 -21.136 1.00 63.33 N ATOM 119 CA GLU A 9 7.896 -4.706 -22.566 1.00 32.21 C ATOM 120 C GLU A 9 7.751 -6.052 -23.271 1.00 12.12 C ATOM 121 O GLU A 9 7.700 -7.099 -22.627 1.00 21.41 O ATOM 122 CB GLU A 9 9.049 -3.915 -23.186 1.00 42.11 C ATOM 123 CG GLU A 9 9.002 -2.428 -22.878 1.00 4.15 C ATOM 124 CD GLU A 9 7.915 -1.706 -23.649 1.00 52.11 C ATOM 125 OE1 GLU A 9 7.994 -1.673 -24.895 1.00 62.31 O ATOM 126 OE2 GLU A 9 6.985 -1.174 -23.008 1.00 1.43 O ATOM 0 H GLU A 9 9.092 -4.810 -20.846 1.00 63.33 H new ATOM 0 HA GLU A 9 6.970 -4.146 -22.695 1.00 32.21 H new ATOM 0 HB2 GLU A 9 9.993 -4.322 -22.825 1.00 42.11 H new ATOM 0 HB3 GLU A 9 9.034 -4.054 -24.267 1.00 42.11 H new ATOM 0 HG2 GLU A 9 8.839 -2.287 -21.810 1.00 4.15 H new ATOM 0 HG3 GLU A 9 9.968 -1.981 -23.115 1.00 4.15 H new ATOM 133 N ALA A 10 7.684 -6.014 -24.598 1.00 21.15 N ATOM 134 CA ALA A 10 7.546 -7.229 -25.390 1.00 65.44 C ATOM 135 C ALA A 10 8.582 -7.276 -26.508 1.00 45.24 C ATOM 136 O ALA A 10 8.287 -6.940 -27.656 1.00 34.33 O ATOM 137 CB ALA A 10 6.141 -7.328 -25.966 1.00 4.12 C ATOM 0 H ALA A 10 7.723 -5.155 -25.146 1.00 21.15 H new ATOM 0 HA ALA A 10 7.718 -8.082 -24.734 1.00 65.44 H new ATOM 0 HB1 ALA A 10 6.053 -8.241 -26.555 1.00 4.12 H new ATOM 0 HB2 ALA A 10 5.415 -7.349 -25.153 1.00 4.12 H new ATOM 0 HB3 ALA A 10 5.947 -6.465 -26.603 1.00 4.12 H new ATOM 143 N ILE A 11 9.797 -7.693 -26.166 1.00 51.44 N ATOM 144 CA ILE A 11 10.876 -7.783 -27.142 1.00 50.31 C ATOM 145 C ILE A 11 10.653 -8.946 -28.103 1.00 12.32 C ATOM 146 O ILE A 11 9.740 -9.752 -27.918 1.00 1.42 O ATOM 147 CB ILE A 11 12.243 -7.954 -26.455 1.00 25.42 C ATOM 148 CG1 ILE A 11 12.385 -6.963 -25.298 1.00 22.43 C ATOM 149 CG2 ILE A 11 13.369 -7.767 -27.461 1.00 2.21 C ATOM 150 CD1 ILE A 11 12.871 -5.597 -25.728 1.00 62.23 C ATOM 0 H ILE A 11 10.058 -7.974 -25.221 1.00 51.44 H new ATOM 0 HA ILE A 11 10.874 -6.848 -27.702 1.00 50.31 H new ATOM 0 HB ILE A 11 12.306 -8.965 -26.052 1.00 25.42 H new ATOM 0 HG12 ILE A 11 11.421 -6.857 -24.801 1.00 22.43 H new ATOM 0 HG13 ILE A 11 13.079 -7.372 -24.563 1.00 22.43 H new ATOM 0 HG21 ILE A 11 14.329 -7.891 -26.960 1.00 2.21 H new ATOM 0 HG22 ILE A 11 13.275 -8.509 -28.254 1.00 2.21 H new ATOM 0 HG23 ILE A 11 13.311 -6.767 -27.891 1.00 2.21 H new ATOM 0 HD11 ILE A 11 12.948 -4.947 -24.856 1.00 62.23 H new ATOM 0 HD12 ILE A 11 13.850 -5.691 -26.198 1.00 62.23 H new ATOM 0 HD13 ILE A 11 12.166 -5.167 -26.440 1.00 62.23 H new ATOM 162 N HIS A 12 11.494 -9.028 -29.129 1.00 74.20 N ATOM 163 CA HIS A 12 11.390 -10.095 -30.118 1.00 50.15 C ATOM 164 C HIS A 12 11.404 -11.464 -29.445 1.00 13.10 C ATOM 165 O HIS A 12 11.636 -11.589 -28.242 1.00 50.33 O ATOM 166 CB HIS A 12 12.536 -9.998 -31.126 1.00 52.21 C ATOM 167 CG HIS A 12 12.096 -9.577 -32.495 1.00 30.44 C ATOM 168 ND1 HIS A 12 12.675 -10.056 -33.651 1.00 52.42 N ATOM 169 CD2 HIS A 12 11.126 -8.719 -32.888 1.00 70.31 C ATOM 170 CE1 HIS A 12 12.081 -9.509 -34.697 1.00 1.52 C ATOM 171 NE2 HIS A 12 11.137 -8.694 -34.261 1.00 41.11 N ATOM 0 H HIS A 12 12.254 -8.369 -29.297 1.00 74.20 H new ATOM 0 HA HIS A 12 10.442 -9.978 -30.643 1.00 50.15 H new ATOM 0 HB2 HIS A 12 13.275 -9.287 -30.756 1.00 52.21 H new ATOM 0 HB3 HIS A 12 13.032 -10.966 -31.194 1.00 52.21 H new ATOM 0 HD2 HIS A 12 10.466 -8.158 -32.242 1.00 70.31 H new ATOM 0 HE1 HIS A 12 12.326 -9.696 -35.732 1.00 1.52 H new ATOM 0 HE2 HIS A 12 10.517 -8.137 -34.849 1.00 41.11 H new ATOM 179 N PRO A 13 11.148 -12.516 -30.237 1.00 25.14 N ATOM 180 CA PRO A 13 11.126 -13.895 -29.738 1.00 55.53 C ATOM 181 C PRO A 13 12.514 -14.395 -29.355 1.00 32.42 C ATOM 182 O PRO A 13 12.749 -15.601 -29.272 1.00 23.13 O ATOM 183 CB PRO A 13 10.578 -14.692 -30.925 1.00 44.30 C ATOM 184 CG PRO A 13 10.928 -13.877 -32.122 1.00 40.22 C ATOM 185 CD PRO A 13 10.863 -12.441 -31.679 1.00 61.33 C ATOM 0 HA PRO A 13 10.530 -13.991 -28.831 1.00 55.53 H new ATOM 0 HB2 PRO A 13 11.026 -15.684 -30.977 1.00 44.30 H new ATOM 0 HB3 PRO A 13 9.500 -14.833 -30.843 1.00 44.30 H new ATOM 0 HG2 PRO A 13 11.924 -14.128 -32.487 1.00 40.22 H new ATOM 0 HG3 PRO A 13 10.232 -14.065 -32.939 1.00 40.22 H new ATOM 0 HD2 PRO A 13 11.595 -11.826 -32.202 1.00 61.33 H new ATOM 0 HD3 PRO A 13 9.883 -12.005 -31.873 1.00 61.33 H new ATOM 193 N LYS A 14 13.431 -13.463 -29.121 1.00 54.42 N ATOM 194 CA LYS A 14 14.796 -13.808 -28.744 1.00 60.54 C ATOM 195 C LYS A 14 15.198 -13.107 -27.451 1.00 52.20 C ATOM 196 O LYS A 14 16.383 -12.935 -27.169 1.00 11.01 O ATOM 197 CB LYS A 14 15.767 -13.431 -29.865 1.00 5.20 C ATOM 198 CG LYS A 14 15.976 -11.933 -30.010 1.00 23.31 C ATOM 199 CD LYS A 14 16.190 -11.538 -31.462 1.00 14.05 C ATOM 200 CE LYS A 14 17.651 -11.224 -31.745 1.00 33.42 C ATOM 201 NZ LYS A 14 18.296 -12.285 -32.568 1.00 2.45 N ATOM 0 H LYS A 14 13.253 -12.461 -29.186 1.00 54.42 H new ATOM 0 HA LYS A 14 14.840 -14.885 -28.580 1.00 60.54 H new ATOM 0 HB2 LYS A 14 16.729 -13.907 -29.676 1.00 5.20 H new ATOM 0 HB3 LYS A 14 15.393 -13.830 -30.808 1.00 5.20 H new ATOM 0 HG2 LYS A 14 15.110 -11.404 -29.612 1.00 23.31 H new ATOM 0 HG3 LYS A 14 16.838 -11.626 -29.418 1.00 23.31 H new ATOM 0 HD2 LYS A 14 15.858 -12.347 -32.113 1.00 14.05 H new ATOM 0 HD3 LYS A 14 15.578 -10.668 -31.697 1.00 14.05 H new ATOM 0 HE2 LYS A 14 17.723 -10.268 -32.263 1.00 33.42 H new ATOM 0 HE3 LYS A 14 18.189 -11.118 -30.803 1.00 33.42 H new ATOM 0 HZ1 LYS A 14 19.291 -12.035 -32.739 1.00 2.45 H new ATOM 0 HZ2 LYS A 14 18.250 -13.193 -32.063 1.00 2.45 H new ATOM 0 HZ3 LYS A 14 17.799 -12.369 -33.477 1.00 2.45 H new ATOM 215 N GLY A 15 14.202 -12.704 -26.667 1.00 60.31 N ATOM 216 CA GLY A 15 14.473 -12.027 -25.412 1.00 71.43 C ATOM 217 C GLY A 15 13.322 -11.147 -24.968 1.00 52.35 C ATOM 218 O GLY A 15 12.283 -11.091 -25.628 1.00 13.13 O ATOM 0 H GLY A 15 13.213 -12.834 -26.879 1.00 60.31 H new ATOM 0 HA2 GLY A 15 14.678 -12.768 -24.640 1.00 71.43 H new ATOM 0 HA3 GLY A 15 15.372 -11.419 -25.517 1.00 71.43 H new ATOM 222 N LEU A 16 13.504 -10.458 -23.847 1.00 44.35 N ATOM 223 CA LEU A 16 12.472 -9.576 -23.315 1.00 14.14 C ATOM 224 C LEU A 16 13.091 -8.416 -22.542 1.00 44.23 C ATOM 225 O LEU A 16 14.284 -8.427 -22.237 1.00 31.44 O ATOM 226 CB LEU A 16 11.523 -10.360 -22.406 1.00 3.24 C ATOM 227 CG LEU A 16 10.265 -9.620 -21.950 1.00 42.42 C ATOM 228 CD1 LEU A 16 9.513 -9.059 -23.147 1.00 60.02 C ATOM 229 CD2 LEU A 16 9.368 -10.542 -21.139 1.00 32.54 C ATOM 0 H LEU A 16 14.357 -10.493 -23.289 1.00 44.35 H new ATOM 0 HA LEU A 16 11.909 -9.169 -24.155 1.00 14.14 H new ATOM 0 HB2 LEU A 16 11.218 -11.266 -22.929 1.00 3.24 H new ATOM 0 HB3 LEU A 16 12.076 -10.674 -21.521 1.00 3.24 H new ATOM 0 HG LEU A 16 10.567 -8.788 -21.314 1.00 42.42 H new ATOM 0 HD11 LEU A 16 8.621 -8.536 -22.803 1.00 60.02 H new ATOM 0 HD12 LEU A 16 10.156 -8.364 -23.687 1.00 60.02 H new ATOM 0 HD13 LEU A 16 9.223 -9.875 -23.809 1.00 60.02 H new ATOM 0 HD21 LEU A 16 8.478 -9.998 -20.823 1.00 32.54 H new ATOM 0 HD22 LEU A 16 9.074 -11.395 -21.751 1.00 32.54 H new ATOM 0 HD23 LEU A 16 9.908 -10.895 -20.261 1.00 32.54 H new ATOM 241 N ARG A 17 12.273 -7.417 -22.228 1.00 44.42 N ATOM 242 CA ARG A 17 12.741 -6.249 -21.491 1.00 21.35 C ATOM 243 C ARG A 17 11.789 -5.911 -20.347 1.00 71.31 C ATOM 244 O ARG A 17 10.569 -5.980 -20.500 1.00 23.52 O ATOM 245 CB ARG A 17 12.877 -5.048 -22.428 1.00 14.23 C ATOM 246 CG ARG A 17 13.430 -3.805 -21.749 1.00 73.30 C ATOM 247 CD ARG A 17 13.022 -2.540 -22.486 1.00 53.53 C ATOM 248 NE ARG A 17 12.482 -1.529 -21.581 1.00 1.50 N ATOM 249 CZ ARG A 17 12.215 -0.280 -21.948 1.00 63.25 C ATOM 250 NH1 ARG A 17 12.437 0.109 -23.197 1.00 35.44 N ATOM 251 NH2 ARG A 17 11.726 0.582 -21.067 1.00 34.03 N ATOM 0 H ARG A 17 11.283 -7.393 -22.472 1.00 44.42 H new ATOM 0 HA ARG A 17 13.719 -6.484 -21.070 1.00 21.35 H new ATOM 0 HB2 ARG A 17 13.529 -5.318 -23.259 1.00 14.23 H new ATOM 0 HB3 ARG A 17 11.900 -4.816 -22.852 1.00 14.23 H new ATOM 0 HG2 ARG A 17 13.071 -3.760 -20.721 1.00 73.30 H new ATOM 0 HG3 ARG A 17 14.517 -3.867 -21.704 1.00 73.30 H new ATOM 0 HD2 ARG A 17 13.886 -2.132 -23.011 1.00 53.53 H new ATOM 0 HD3 ARG A 17 12.276 -2.785 -23.242 1.00 53.53 H new ATOM 0 HE ARG A 17 12.300 -1.796 -20.614 1.00 1.50 H new ATOM 0 HH11 ARG A 17 12.813 -0.551 -23.878 1.00 35.44 H new ATOM 0 HH12 ARG A 17 12.231 1.068 -23.477 1.00 35.44 H new ATOM 0 HH21 ARG A 17 11.554 0.287 -20.106 1.00 34.03 H new ATOM 0 HH22 ARG A 17 11.522 1.540 -21.350 1.00 34.03 H new ATOM 265 N VAL A 18 12.355 -5.546 -19.201 1.00 54.10 N ATOM 266 CA VAL A 18 11.557 -5.197 -18.032 1.00 14.42 C ATOM 267 C VAL A 18 12.259 -4.144 -17.182 1.00 11.32 C ATOM 268 O VAL A 18 13.258 -4.429 -16.522 1.00 32.34 O ATOM 269 CB VAL A 18 11.266 -6.433 -17.161 1.00 32.31 C ATOM 270 CG1 VAL A 18 10.576 -6.026 -15.868 1.00 51.20 C ATOM 271 CG2 VAL A 18 10.424 -7.440 -17.930 1.00 54.10 C ATOM 0 H VAL A 18 13.363 -5.484 -19.057 1.00 54.10 H new ATOM 0 HA VAL A 18 10.615 -4.793 -18.402 1.00 14.42 H new ATOM 0 HB VAL A 18 12.214 -6.906 -16.905 1.00 32.31 H new ATOM 0 HG11 VAL A 18 10.379 -6.913 -15.266 1.00 51.20 H new ATOM 0 HG12 VAL A 18 11.220 -5.345 -15.311 1.00 51.20 H new ATOM 0 HG13 VAL A 18 9.635 -5.528 -16.099 1.00 51.20 H new ATOM 0 HG21 VAL A 18 10.228 -8.307 -17.299 1.00 54.10 H new ATOM 0 HG22 VAL A 18 9.479 -6.980 -18.218 1.00 54.10 H new ATOM 0 HG23 VAL A 18 10.961 -7.756 -18.824 1.00 54.10 H new ATOM 281 N SER A 19 11.729 -2.925 -17.203 1.00 4.23 N ATOM 282 CA SER A 19 12.307 -1.827 -16.436 1.00 63.12 C ATOM 283 C SER A 19 11.300 -1.278 -15.430 1.00 43.54 C ATOM 284 O SER A 19 10.091 -1.445 -15.590 1.00 62.02 O ATOM 285 CB SER A 19 12.770 -0.710 -17.374 1.00 30.30 C ATOM 286 OG SER A 19 13.137 0.448 -16.645 1.00 54.42 O ATOM 0 H SER A 19 10.901 -2.673 -17.742 1.00 4.23 H new ATOM 0 HA SER A 19 13.168 -2.212 -15.889 1.00 63.12 H new ATOM 0 HB2 SER A 19 13.618 -1.055 -17.965 1.00 30.30 H new ATOM 0 HB3 SER A 19 11.972 -0.465 -18.075 1.00 30.30 H new ATOM 0 HG SER A 19 13.121 1.227 -17.239 1.00 54.42 H new ATOM 292 N VAL A 20 11.808 -0.620 -14.393 1.00 24.02 N ATOM 293 CA VAL A 20 10.955 -0.044 -13.360 1.00 71.14 C ATOM 294 C VAL A 20 11.469 1.322 -12.921 1.00 45.00 C ATOM 295 O VAL A 20 12.669 1.597 -12.942 1.00 43.43 O ATOM 296 CB VAL A 20 10.863 -0.966 -12.130 1.00 13.21 C ATOM 297 CG1 VAL A 20 10.398 -2.356 -12.537 1.00 54.41 C ATOM 298 CG2 VAL A 20 12.203 -1.032 -11.413 1.00 14.14 C ATOM 0 H VAL A 20 12.806 -0.472 -14.246 1.00 24.02 H new ATOM 0 HA VAL A 20 9.962 0.068 -13.796 1.00 71.14 H new ATOM 0 HB VAL A 20 10.128 -0.551 -11.441 1.00 13.21 H new ATOM 0 HG11 VAL A 20 10.339 -2.993 -11.654 1.00 54.41 H new ATOM 0 HG12 VAL A 20 9.415 -2.289 -13.002 1.00 54.41 H new ATOM 0 HG13 VAL A 20 11.107 -2.784 -13.246 1.00 54.41 H new ATOM 0 HG21 VAL A 20 12.120 -1.688 -10.546 1.00 14.14 H new ATOM 0 HG22 VAL A 20 12.960 -1.423 -12.093 1.00 14.14 H new ATOM 0 HG23 VAL A 20 12.490 -0.033 -11.086 1.00 14.14 H new ATOM 308 N PRO A 21 10.542 2.200 -12.512 1.00 53.10 N ATOM 309 CA PRO A 21 10.878 3.553 -12.058 1.00 72.03 C ATOM 310 C PRO A 21 11.607 3.551 -10.719 1.00 62.23 C ATOM 311 O PRO A 21 11.095 3.039 -9.724 1.00 22.15 O ATOM 312 CB PRO A 21 9.512 4.231 -11.922 1.00 61.12 C ATOM 313 CG PRO A 21 8.556 3.113 -11.688 1.00 72.23 C ATOM 314 CD PRO A 21 9.093 1.940 -12.460 1.00 63.25 C ATOM 0 HA PRO A 21 11.553 4.058 -12.748 1.00 72.03 H new ATOM 0 HB2 PRO A 21 9.503 4.940 -11.094 1.00 61.12 H new ATOM 0 HB3 PRO A 21 9.256 4.789 -12.822 1.00 61.12 H new ATOM 0 HG2 PRO A 21 8.481 2.880 -10.626 1.00 72.23 H new ATOM 0 HG3 PRO A 21 7.555 3.378 -12.028 1.00 72.23 H new ATOM 0 HD2 PRO A 21 8.872 0.996 -11.962 1.00 63.25 H new ATOM 0 HD3 PRO A 21 8.659 1.883 -13.458 1.00 63.25 H new ATOM 322 N ASP A 22 12.804 4.126 -10.702 1.00 44.22 N ATOM 323 CA ASP A 22 13.604 4.192 -9.484 1.00 72.03 C ATOM 324 C ASP A 22 13.270 5.446 -8.682 1.00 41.03 C ATOM 325 O ASP A 22 13.786 6.528 -8.962 1.00 34.22 O ATOM 326 CB ASP A 22 15.095 4.171 -9.826 1.00 14.54 C ATOM 327 CG ASP A 22 15.971 4.378 -8.606 1.00 13.13 C ATOM 328 OD1 ASP A 22 15.885 3.558 -7.668 1.00 72.34 O ATOM 329 OD2 ASP A 22 16.742 5.361 -8.588 1.00 33.40 O ATOM 0 H ASP A 22 13.242 4.553 -11.518 1.00 44.22 H new ATOM 0 HA ASP A 22 13.367 3.320 -8.875 1.00 72.03 H new ATOM 0 HB2 ASP A 22 15.345 3.218 -10.292 1.00 14.54 H new ATOM 0 HB3 ASP A 22 15.308 4.949 -10.559 1.00 14.54 H new ATOM 334 N GLU A 23 12.404 5.292 -7.686 1.00 11.03 N ATOM 335 CA GLU A 23 12.000 6.413 -6.845 1.00 45.11 C ATOM 336 C GLU A 23 13.036 6.677 -5.756 1.00 20.53 C ATOM 337 O GLU A 23 12.876 7.581 -4.937 1.00 51.25 O ATOM 338 CB GLU A 23 10.635 6.138 -6.211 1.00 4.42 C ATOM 339 CG GLU A 23 9.614 7.235 -6.465 1.00 24.40 C ATOM 340 CD GLU A 23 8.186 6.733 -6.376 1.00 50.32 C ATOM 341 OE1 GLU A 23 7.955 5.543 -6.674 1.00 54.13 O ATOM 342 OE2 GLU A 23 7.299 7.532 -6.008 1.00 4.30 O ATOM 0 H GLU A 23 11.969 4.403 -7.441 1.00 11.03 H new ATOM 0 HA GLU A 23 11.927 7.299 -7.475 1.00 45.11 H new ATOM 0 HB2 GLU A 23 10.247 5.196 -6.598 1.00 4.42 H new ATOM 0 HB3 GLU A 23 10.762 6.013 -5.136 1.00 4.42 H new ATOM 0 HG2 GLU A 23 9.759 8.037 -5.741 1.00 24.40 H new ATOM 0 HG3 GLU A 23 9.784 7.663 -7.453 1.00 24.40 H new ATOM 349 N GLY A 24 14.099 5.878 -5.752 1.00 61.20 N ATOM 350 CA GLY A 24 15.145 6.040 -4.759 1.00 61.52 C ATOM 351 C GLY A 24 15.643 4.713 -4.220 1.00 15.12 C ATOM 352 O GLY A 24 16.056 4.621 -3.064 1.00 22.42 O ATOM 0 H GLY A 24 14.254 5.122 -6.419 1.00 61.20 H new ATOM 0 HA2 GLY A 24 15.979 6.586 -5.200 1.00 61.52 H new ATOM 0 HA3 GLY A 24 14.768 6.645 -3.934 1.00 61.52 H new ATOM 356 N PHE A 25 15.601 3.683 -5.058 1.00 22.54 N ATOM 357 CA PHE A 25 16.049 2.354 -4.658 1.00 31.45 C ATOM 358 C PHE A 25 17.565 2.231 -4.777 1.00 41.44 C ATOM 359 O PHE A 25 18.223 3.088 -5.369 1.00 32.43 O ATOM 360 CB PHE A 25 15.370 1.284 -5.516 1.00 23.23 C ATOM 361 CG PHE A 25 13.871 1.310 -5.431 1.00 71.31 C ATOM 362 CD1 PHE A 25 13.131 2.128 -6.269 1.00 75.31 C ATOM 363 CD2 PHE A 25 13.202 0.516 -4.513 1.00 51.20 C ATOM 364 CE1 PHE A 25 11.751 2.154 -6.194 1.00 75.41 C ATOM 365 CE2 PHE A 25 11.822 0.538 -4.434 1.00 23.52 C ATOM 366 CZ PHE A 25 11.096 1.358 -5.274 1.00 52.14 C ATOM 0 H PHE A 25 15.262 3.743 -6.018 1.00 22.54 H new ATOM 0 HA PHE A 25 15.771 2.204 -3.615 1.00 31.45 H new ATOM 0 HB2 PHE A 25 15.669 1.419 -6.555 1.00 23.23 H new ATOM 0 HB3 PHE A 25 15.727 0.301 -5.207 1.00 23.23 H new ATOM 0 HD1 PHE A 25 13.638 2.753 -6.989 1.00 75.31 H new ATOM 0 HD2 PHE A 25 13.765 -0.127 -3.852 1.00 51.20 H new ATOM 0 HE1 PHE A 25 11.186 2.796 -6.854 1.00 75.41 H new ATOM 0 HE2 PHE A 25 11.312 -0.086 -3.715 1.00 23.52 H new ATOM 0 HZ PHE A 25 10.018 1.377 -5.212 1.00 52.14 H new ATOM 376 N SER A 26 18.113 1.161 -4.211 1.00 62.03 N ATOM 377 CA SER A 26 19.552 0.928 -4.250 1.00 61.12 C ATOM 378 C SER A 26 19.862 -0.464 -4.791 1.00 65.43 C ATOM 379 O SER A 26 21.014 -0.785 -5.090 1.00 54.23 O ATOM 380 CB SER A 26 20.154 1.091 -2.853 1.00 64.43 C ATOM 381 OG SER A 26 21.548 0.834 -2.866 1.00 1.12 O ATOM 0 H SER A 26 17.582 0.441 -3.720 1.00 62.03 H new ATOM 0 HA SER A 26 19.997 1.666 -4.918 1.00 61.12 H new ATOM 0 HB2 SER A 26 19.971 2.102 -2.490 1.00 64.43 H new ATOM 0 HB3 SER A 26 19.662 0.409 -2.159 1.00 64.43 H new ATOM 0 HG SER A 26 21.773 0.291 -3.650 1.00 1.12 H new ATOM 387 N LEU A 27 18.828 -1.288 -4.914 1.00 72.44 N ATOM 388 CA LEU A 27 18.988 -2.648 -5.419 1.00 50.45 C ATOM 389 C LEU A 27 17.700 -3.142 -6.071 1.00 44.42 C ATOM 390 O LEU A 27 16.601 -2.844 -5.603 1.00 23.54 O ATOM 391 CB LEU A 27 19.393 -3.590 -4.285 1.00 33.13 C ATOM 392 CG LEU A 27 18.980 -5.053 -4.448 1.00 32.31 C ATOM 393 CD1 LEU A 27 17.472 -5.200 -4.315 1.00 20.40 C ATOM 394 CD2 LEU A 27 19.454 -5.595 -5.788 1.00 63.04 C ATOM 0 H LEU A 27 17.869 -1.039 -4.671 1.00 72.44 H new ATOM 0 HA LEU A 27 19.775 -2.639 -6.173 1.00 50.45 H new ATOM 0 HB2 LEU A 27 20.477 -3.549 -4.175 1.00 33.13 H new ATOM 0 HB3 LEU A 27 18.964 -3.214 -3.356 1.00 33.13 H new ATOM 0 HG LEU A 27 19.452 -5.634 -3.656 1.00 32.31 H new ATOM 0 HD11 LEU A 27 17.197 -6.248 -4.434 1.00 20.40 H new ATOM 0 HD12 LEU A 27 17.158 -4.852 -3.331 1.00 20.40 H new ATOM 0 HD13 LEU A 27 16.979 -4.606 -5.085 1.00 20.40 H new ATOM 0 HD21 LEU A 27 19.151 -6.637 -5.887 1.00 63.04 H new ATOM 0 HD22 LEU A 27 19.011 -5.011 -6.594 1.00 63.04 H new ATOM 0 HD23 LEU A 27 20.540 -5.526 -5.845 1.00 63.04 H new ATOM 406 N PHE A 28 17.844 -3.899 -7.154 1.00 21.04 N ATOM 407 CA PHE A 28 16.693 -4.436 -7.869 1.00 55.24 C ATOM 408 C PHE A 28 16.946 -5.876 -8.306 1.00 2.14 C ATOM 409 O PHE A 28 18.067 -6.240 -8.660 1.00 50.13 O ATOM 410 CB PHE A 28 16.375 -3.570 -9.090 1.00 51.31 C ATOM 411 CG PHE A 28 15.226 -4.086 -9.909 1.00 5.10 C ATOM 412 CD1 PHE A 28 14.057 -4.509 -9.298 1.00 24.25 C ATOM 413 CD2 PHE A 28 15.316 -4.148 -11.290 1.00 62.43 C ATOM 414 CE1 PHE A 28 12.999 -4.984 -10.048 1.00 75.51 C ATOM 415 CE2 PHE A 28 14.261 -4.622 -12.046 1.00 35.30 C ATOM 416 CZ PHE A 28 13.101 -5.042 -11.424 1.00 52.01 C ATOM 0 H PHE A 28 18.746 -4.154 -7.555 1.00 21.04 H new ATOM 0 HA PHE A 28 15.839 -4.425 -7.191 1.00 55.24 H new ATOM 0 HB2 PHE A 28 16.148 -2.557 -8.758 1.00 51.31 H new ATOM 0 HB3 PHE A 28 17.261 -3.507 -9.721 1.00 51.31 H new ATOM 0 HD1 PHE A 28 13.972 -4.467 -8.222 1.00 24.25 H new ATOM 0 HD2 PHE A 28 16.221 -3.822 -11.781 1.00 62.43 H new ATOM 0 HE1 PHE A 28 12.093 -5.310 -9.559 1.00 75.51 H new ATOM 0 HE2 PHE A 28 14.343 -4.664 -13.122 1.00 35.30 H new ATOM 0 HZ PHE A 28 12.276 -5.415 -12.013 1.00 52.01 H new ATOM 426 N ALA A 29 15.897 -6.690 -8.276 1.00 34.53 N ATOM 427 CA ALA A 29 16.004 -8.090 -8.669 1.00 2.11 C ATOM 428 C ALA A 29 14.951 -8.450 -9.712 1.00 2.25 C ATOM 429 O ALA A 29 13.977 -7.721 -9.901 1.00 72.54 O ATOM 430 CB ALA A 29 15.873 -8.992 -7.451 1.00 4.03 C ATOM 0 H ALA A 29 14.962 -6.404 -7.984 1.00 34.53 H new ATOM 0 HA ALA A 29 16.987 -8.242 -9.116 1.00 2.11 H new ATOM 0 HB1 ALA A 29 15.955 -10.034 -7.760 1.00 4.03 H new ATOM 0 HB2 ALA A 29 16.666 -8.761 -6.740 1.00 4.03 H new ATOM 0 HB3 ALA A 29 14.904 -8.828 -6.979 1.00 4.03 H new ATOM 436 N PHE A 30 15.154 -9.577 -10.386 1.00 13.04 N ATOM 437 CA PHE A 30 14.222 -10.033 -11.411 1.00 1.51 C ATOM 438 C PHE A 30 14.234 -11.555 -11.519 1.00 13.53 C ATOM 439 O PHE A 30 15.238 -12.153 -11.905 1.00 61.23 O ATOM 440 CB PHE A 30 14.576 -9.411 -12.764 1.00 32.43 C ATOM 441 CG PHE A 30 13.642 -9.812 -13.870 1.00 22.41 C ATOM 442 CD1 PHE A 30 13.592 -11.125 -14.310 1.00 34.32 C ATOM 443 CD2 PHE A 30 12.816 -8.876 -14.470 1.00 73.32 C ATOM 444 CE1 PHE A 30 12.733 -11.498 -15.327 1.00 44.22 C ATOM 445 CE2 PHE A 30 11.955 -9.243 -15.488 1.00 22.03 C ATOM 446 CZ PHE A 30 11.915 -10.555 -15.918 1.00 31.04 C ATOM 0 H PHE A 30 15.955 -10.191 -10.241 1.00 13.04 H new ATOM 0 HA PHE A 30 13.220 -9.715 -11.123 1.00 1.51 H new ATOM 0 HB2 PHE A 30 14.569 -8.325 -12.669 1.00 32.43 H new ATOM 0 HB3 PHE A 30 15.592 -9.701 -13.034 1.00 32.43 H new ATOM 0 HD1 PHE A 30 14.232 -11.866 -13.853 1.00 34.32 H new ATOM 0 HD2 PHE A 30 12.845 -7.848 -14.139 1.00 73.32 H new ATOM 0 HE1 PHE A 30 12.702 -12.525 -15.659 1.00 44.22 H new ATOM 0 HE2 PHE A 30 11.314 -8.504 -15.946 1.00 22.03 H new ATOM 0 HZ PHE A 30 11.245 -10.843 -16.715 1.00 31.04 H new ATOM 456 N HIS A 31 13.110 -12.175 -11.174 1.00 11.14 N ATOM 457 CA HIS A 31 12.990 -13.627 -11.231 1.00 73.43 C ATOM 458 C HIS A 31 11.563 -14.041 -11.578 1.00 34.23 C ATOM 459 O HIS A 31 10.704 -14.139 -10.702 1.00 41.30 O ATOM 460 CB HIS A 31 13.403 -14.248 -9.896 1.00 42.14 C ATOM 461 CG HIS A 31 14.202 -15.506 -10.043 1.00 33.52 C ATOM 462 ND1 HIS A 31 15.494 -15.636 -9.580 1.00 0.05 N ATOM 463 CD2 HIS A 31 13.884 -16.697 -10.603 1.00 54.34 C ATOM 464 CE1 HIS A 31 15.937 -16.851 -9.850 1.00 51.24 C ATOM 465 NE2 HIS A 31 14.979 -17.515 -10.471 1.00 55.21 N ATOM 0 H HIS A 31 12.270 -11.695 -10.852 1.00 11.14 H new ATOM 0 HA HIS A 31 13.656 -13.991 -12.013 1.00 73.43 H new ATOM 0 HB2 HIS A 31 13.986 -13.521 -9.331 1.00 42.14 H new ATOM 0 HB3 HIS A 31 12.508 -14.462 -9.312 1.00 42.14 H new ATOM 0 HD2 HIS A 31 12.944 -16.956 -11.067 1.00 54.34 H new ATOM 0 HE1 HIS A 31 16.916 -17.236 -9.605 1.00 51.24 H new ATOM 0 HE2 HIS A 31 15.042 -18.479 -10.799 1.00 55.21 H new ATOM 473 N GLY A 32 11.317 -14.283 -12.862 1.00 14.40 N ATOM 474 CA GLY A 32 9.992 -14.682 -13.301 1.00 43.13 C ATOM 475 C GLY A 32 10.035 -15.648 -14.468 1.00 65.32 C ATOM 476 O GLY A 32 11.108 -16.096 -14.875 1.00 1.33 O ATOM 0 H GLY A 32 12.011 -14.210 -13.606 1.00 14.40 H new ATOM 0 HA2 GLY A 32 9.461 -15.145 -12.469 1.00 43.13 H new ATOM 0 HA3 GLY A 32 9.425 -13.796 -13.587 1.00 43.13 H new ATOM 480 N LYS A 33 8.866 -15.973 -15.009 1.00 30.44 N ATOM 481 CA LYS A 33 8.773 -16.894 -16.136 1.00 12.42 C ATOM 482 C LYS A 33 7.799 -16.370 -17.187 1.00 4.31 C ATOM 483 O LYS A 33 7.416 -15.199 -17.164 1.00 62.24 O ATOM 484 CB LYS A 33 8.326 -18.277 -15.656 1.00 44.42 C ATOM 485 CG LYS A 33 9.052 -18.752 -14.410 1.00 4.45 C ATOM 486 CD LYS A 33 8.079 -19.232 -13.346 1.00 70.13 C ATOM 487 CE LYS A 33 7.424 -20.546 -13.743 1.00 70.23 C ATOM 488 NZ LYS A 33 7.978 -21.696 -12.977 1.00 25.23 N ATOM 0 H LYS A 33 7.969 -15.612 -14.685 1.00 30.44 H new ATOM 0 HA LYS A 33 9.761 -16.975 -16.589 1.00 12.42 H new ATOM 0 HB2 LYS A 33 7.255 -18.254 -15.456 1.00 44.42 H new ATOM 0 HB3 LYS A 33 8.485 -18.999 -16.457 1.00 44.42 H new ATOM 0 HG2 LYS A 33 9.734 -19.561 -14.672 1.00 4.45 H new ATOM 0 HG3 LYS A 33 9.659 -17.940 -14.010 1.00 4.45 H new ATOM 0 HD2 LYS A 33 8.605 -19.358 -12.400 1.00 70.13 H new ATOM 0 HD3 LYS A 33 7.311 -18.475 -13.185 1.00 70.13 H new ATOM 0 HE2 LYS A 33 6.349 -20.481 -13.574 1.00 70.23 H new ATOM 0 HE3 LYS A 33 7.569 -20.716 -14.810 1.00 70.23 H new ATOM 0 HZ1 LYS A 33 7.506 -22.573 -13.277 1.00 25.23 H new ATOM 0 HZ2 LYS A 33 8.999 -21.774 -13.158 1.00 25.23 H new ATOM 0 HZ3 LYS A 33 7.817 -21.546 -11.961 1.00 25.23 H new ATOM 502 N LEU A 34 7.402 -17.243 -18.106 1.00 13.24 N ATOM 503 CA LEU A 34 6.471 -16.869 -19.165 1.00 11.53 C ATOM 504 C LEU A 34 5.355 -17.899 -19.298 1.00 74.51 C ATOM 505 O LEU A 34 5.613 -19.094 -19.437 1.00 22.10 O ATOM 506 CB LEU A 34 7.212 -16.727 -20.495 1.00 72.14 C ATOM 507 CG LEU A 34 6.796 -15.546 -21.373 1.00 73.22 C ATOM 508 CD1 LEU A 34 5.329 -15.659 -21.759 1.00 40.22 C ATOM 509 CD2 LEU A 34 7.061 -14.230 -20.657 1.00 42.02 C ATOM 0 H LEU A 34 7.710 -18.215 -18.139 1.00 13.24 H new ATOM 0 HA LEU A 34 6.025 -15.910 -18.901 1.00 11.53 H new ATOM 0 HB2 LEU A 34 8.278 -16.641 -20.286 1.00 72.14 H new ATOM 0 HB3 LEU A 34 7.072 -17.645 -21.066 1.00 72.14 H new ATOM 0 HG LEU A 34 7.393 -15.567 -22.285 1.00 73.22 H new ATOM 0 HD11 LEU A 34 5.051 -14.810 -22.384 1.00 40.22 H new ATOM 0 HD12 LEU A 34 5.169 -16.584 -22.312 1.00 40.22 H new ATOM 0 HD13 LEU A 34 4.715 -15.663 -20.858 1.00 40.22 H new ATOM 0 HD21 LEU A 34 6.759 -13.401 -21.297 1.00 42.02 H new ATOM 0 HD22 LEU A 34 6.490 -14.199 -19.729 1.00 42.02 H new ATOM 0 HD23 LEU A 34 8.124 -14.146 -20.432 1.00 42.02 H new ATOM 521 N ASN A 35 4.113 -17.428 -19.257 1.00 73.00 N ATOM 522 CA ASN A 35 2.956 -18.309 -19.375 1.00 44.01 C ATOM 523 C ASN A 35 2.991 -19.398 -18.307 1.00 51.10 C ATOM 524 O ASN A 35 2.560 -20.526 -18.543 1.00 54.12 O ATOM 525 CB ASN A 35 2.913 -18.945 -20.766 1.00 43.42 C ATOM 526 CG ASN A 35 2.514 -17.954 -21.842 1.00 41.45 C ATOM 527 OD1 ASN A 35 1.346 -17.584 -21.959 1.00 13.11 O ATOM 528 ND2 ASN A 35 3.486 -17.519 -22.636 1.00 1.20 N ATOM 0 H ASN A 35 3.882 -16.441 -19.143 1.00 73.00 H new ATOM 0 HA ASN A 35 2.057 -17.710 -19.229 1.00 44.01 H new ATOM 0 HB2 ASN A 35 3.893 -19.360 -21.003 1.00 43.42 H new ATOM 0 HB3 ASN A 35 2.207 -19.776 -20.761 1.00 43.42 H new ATOM 0 HD21 ASN A 35 3.278 -16.851 -23.379 1.00 1.20 H new ATOM 0 HD22 ASN A 35 4.441 -17.852 -22.503 1.00 1.20 H new ATOM 535 N GLU A 36 3.507 -19.051 -17.132 1.00 14.31 N ATOM 536 CA GLU A 36 3.597 -19.999 -16.028 1.00 63.00 C ATOM 537 C GLU A 36 3.638 -19.271 -14.687 1.00 73.24 C ATOM 538 O GLU A 36 4.404 -18.326 -14.506 1.00 65.11 O ATOM 539 CB GLU A 36 4.841 -20.877 -16.182 1.00 32.23 C ATOM 540 CG GLU A 36 4.960 -21.955 -15.118 1.00 32.43 C ATOM 541 CD GLU A 36 4.347 -23.273 -15.551 1.00 62.03 C ATOM 542 OE1 GLU A 36 4.502 -23.637 -16.736 1.00 20.20 O ATOM 543 OE2 GLU A 36 3.713 -23.940 -14.707 1.00 41.51 O ATOM 0 H GLU A 36 3.869 -18.121 -16.920 1.00 14.31 H new ATOM 0 HA GLU A 36 2.709 -20.631 -16.052 1.00 63.00 H new ATOM 0 HB2 GLU A 36 4.823 -21.348 -17.165 1.00 32.23 H new ATOM 0 HB3 GLU A 36 5.728 -20.245 -16.148 1.00 32.23 H new ATOM 0 HG2 GLU A 36 6.012 -22.109 -14.879 1.00 32.43 H new ATOM 0 HG3 GLU A 36 4.472 -21.614 -14.205 1.00 32.43 H new ATOM 550 N GLU A 37 2.806 -19.719 -13.752 1.00 73.02 N ATOM 551 CA GLU A 37 2.746 -19.109 -12.429 1.00 34.41 C ATOM 552 C GLU A 37 3.565 -19.912 -11.423 1.00 5.35 C ATOM 553 O GLU A 37 3.568 -21.142 -11.449 1.00 24.01 O ATOM 554 CB GLU A 37 1.294 -19.008 -11.955 1.00 41.23 C ATOM 555 CG GLU A 37 0.625 -20.356 -11.750 1.00 22.53 C ATOM 556 CD GLU A 37 -0.570 -20.279 -10.820 1.00 12.00 C ATOM 557 OE1 GLU A 37 -1.399 -19.361 -10.994 1.00 31.45 O ATOM 558 OE2 GLU A 37 -0.677 -21.137 -9.919 1.00 5.04 O ATOM 0 H GLU A 37 2.165 -20.501 -13.886 1.00 73.02 H new ATOM 0 HA GLU A 37 3.169 -18.107 -12.499 1.00 34.41 H new ATOM 0 HB2 GLU A 37 1.264 -18.451 -11.018 1.00 41.23 H new ATOM 0 HB3 GLU A 37 0.722 -18.435 -12.685 1.00 41.23 H new ATOM 0 HG2 GLU A 37 0.305 -20.749 -12.715 1.00 22.53 H new ATOM 0 HG3 GLU A 37 1.352 -21.060 -11.344 1.00 22.53 H new ATOM 565 N MET A 38 4.260 -19.205 -10.537 1.00 22.01 N ATOM 566 CA MET A 38 5.084 -19.851 -9.521 1.00 53.13 C ATOM 567 C MET A 38 4.242 -20.257 -8.316 1.00 14.41 C ATOM 568 O MET A 38 3.028 -20.056 -8.301 1.00 34.34 O ATOM 569 CB MET A 38 6.212 -18.917 -9.079 1.00 53.20 C ATOM 570 CG MET A 38 7.122 -18.482 -10.216 1.00 72.13 C ATOM 571 SD MET A 38 8.864 -18.483 -9.751 1.00 12.21 S ATOM 572 CE MET A 38 9.345 -16.827 -10.236 1.00 74.25 C ATOM 0 H MET A 38 4.269 -18.186 -10.502 1.00 22.01 H new ATOM 0 HA MET A 38 5.518 -20.750 -9.958 1.00 53.13 H new ATOM 0 HB2 MET A 38 5.778 -18.032 -8.613 1.00 53.20 H new ATOM 0 HB3 MET A 38 6.810 -19.418 -8.317 1.00 53.20 H new ATOM 0 HG2 MET A 38 6.977 -19.147 -11.067 1.00 72.13 H new ATOM 0 HG3 MET A 38 6.837 -17.481 -10.541 1.00 72.13 H new ATOM 0 HE1 MET A 38 10.303 -16.578 -9.780 1.00 74.25 H new ATOM 0 HE2 MET A 38 9.436 -16.778 -11.321 1.00 74.25 H new ATOM 0 HE3 MET A 38 8.589 -16.116 -9.902 1.00 74.25 H new ATOM 648 N GLY A 44 11.629 -18.773 -10.556 1.00 45.11 N ATOM 649 CA GLY A 44 11.081 -19.247 -11.813 1.00 50.55 C ATOM 650 C GLY A 44 12.157 -19.692 -12.784 1.00 33.30 C ATOM 651 O GLY A 44 12.930 -20.604 -12.489 1.00 5.31 O ATOM 0 HA2 GLY A 44 10.404 -20.079 -11.620 1.00 50.55 H new ATOM 0 HA3 GLY A 44 10.489 -18.454 -12.270 1.00 50.55 H new ATOM 655 N HIS A 45 12.206 -19.050 -13.947 1.00 14.23 N ATOM 656 CA HIS A 45 13.194 -19.386 -14.965 1.00 23.30 C ATOM 657 C HIS A 45 14.323 -18.360 -14.987 1.00 11.23 C ATOM 658 O HIS A 45 15.496 -18.710 -14.859 1.00 71.53 O ATOM 659 CB HIS A 45 12.533 -19.464 -16.342 1.00 4.04 C ATOM 660 CG HIS A 45 12.766 -20.766 -17.045 1.00 11.40 C ATOM 661 ND1 HIS A 45 14.012 -21.183 -17.464 1.00 12.15 N ATOM 662 CD2 HIS A 45 11.903 -21.746 -17.402 1.00 1.34 C ATOM 663 CE1 HIS A 45 13.905 -22.362 -18.049 1.00 20.43 C ATOM 664 NE2 HIS A 45 12.636 -22.727 -18.024 1.00 14.43 N ATOM 0 H HIS A 45 11.573 -18.294 -14.207 1.00 14.23 H new ATOM 0 HA HIS A 45 13.617 -20.360 -14.718 1.00 23.30 H new ATOM 0 HB2 HIS A 45 11.460 -19.308 -16.230 1.00 4.04 H new ATOM 0 HB3 HIS A 45 12.910 -18.652 -16.964 1.00 4.04 H new ATOM 0 HD2 HIS A 45 10.837 -21.755 -17.230 1.00 1.34 H new ATOM 0 HE1 HIS A 45 14.718 -22.931 -18.476 1.00 20.43 H new ATOM 0 HE2 HIS A 45 12.261 -23.596 -18.405 1.00 14.43 H new ATOM 672 N TRP A 46 13.960 -17.093 -15.149 1.00 41.33 N ATOM 673 CA TRP A 46 14.943 -16.016 -15.189 1.00 11.45 C ATOM 674 C TRP A 46 15.596 -15.824 -13.824 1.00 34.30 C ATOM 675 O TRP A 46 15.189 -16.442 -12.839 1.00 45.44 O ATOM 676 CB TRP A 46 14.283 -14.712 -15.639 1.00 51.53 C ATOM 677 CG TRP A 46 13.727 -14.777 -17.030 1.00 1.33 C ATOM 678 CD1 TRP A 46 14.399 -15.130 -18.165 1.00 52.21 C ATOM 679 CD2 TRP A 46 12.385 -14.479 -17.431 1.00 44.21 C ATOM 680 NE1 TRP A 46 13.556 -15.069 -19.248 1.00 75.23 N ATOM 681 CE2 TRP A 46 12.315 -14.673 -18.824 1.00 74.35 C ATOM 682 CE3 TRP A 46 11.237 -14.069 -16.749 1.00 53.22 C ATOM 683 CZ2 TRP A 46 11.141 -14.470 -19.545 1.00 71.14 C ATOM 684 CZ3 TRP A 46 10.073 -13.867 -17.466 1.00 73.21 C ATOM 685 CH2 TRP A 46 10.031 -14.069 -18.852 1.00 44.32 C ATOM 0 H TRP A 46 12.993 -16.786 -15.255 1.00 41.33 H new ATOM 0 HA TRP A 46 15.717 -16.290 -15.906 1.00 11.45 H new ATOM 0 HB2 TRP A 46 13.480 -14.461 -14.946 1.00 51.53 H new ATOM 0 HB3 TRP A 46 15.014 -13.905 -15.585 1.00 51.53 H new ATOM 0 HD1 TRP A 46 15.440 -15.415 -18.205 1.00 52.21 H new ATOM 0 HE1 TRP A 46 13.813 -15.284 -20.212 1.00 75.23 H new ATOM 0 HE3 TRP A 46 11.259 -13.913 -15.681 1.00 53.22 H new ATOM 0 HZ2 TRP A 46 11.108 -14.624 -20.613 1.00 71.14 H new ATOM 0 HZ3 TRP A 46 9.180 -13.548 -16.949 1.00 73.21 H new ATOM 0 HH2 TRP A 46 9.105 -13.905 -19.383 1.00 44.32 H new ATOM 696 N SER A 47 16.609 -14.965 -13.772 1.00 73.54 N ATOM 697 CA SER A 47 17.320 -14.696 -12.528 1.00 52.02 C ATOM 698 C SER A 47 18.381 -13.619 -12.731 1.00 64.25 C ATOM 699 O SER A 47 19.316 -13.794 -13.513 1.00 44.30 O ATOM 700 CB SER A 47 17.970 -15.976 -12.000 1.00 62.13 C ATOM 701 OG SER A 47 18.956 -16.455 -12.899 1.00 33.43 O ATOM 0 H SER A 47 16.956 -14.443 -14.577 1.00 73.54 H new ATOM 0 HA SER A 47 16.597 -14.336 -11.796 1.00 52.02 H new ATOM 0 HB2 SER A 47 18.423 -15.783 -11.027 1.00 62.13 H new ATOM 0 HB3 SER A 47 17.207 -16.740 -11.851 1.00 62.13 H new ATOM 0 HG SER A 47 19.419 -15.696 -13.311 1.00 33.43 H new ATOM 707 N ARG A 48 18.229 -12.506 -12.022 1.00 41.31 N ATOM 708 CA ARG A 48 19.173 -11.399 -12.125 1.00 30.43 C ATOM 709 C ARG A 48 19.002 -10.429 -10.959 1.00 65.42 C ATOM 710 O ARG A 48 17.976 -10.435 -10.279 1.00 41.43 O ATOM 711 CB ARG A 48 18.982 -10.659 -13.450 1.00 21.50 C ATOM 712 CG ARG A 48 20.279 -10.415 -14.204 1.00 24.44 C ATOM 713 CD ARG A 48 20.625 -8.935 -14.253 1.00 74.23 C ATOM 714 NE ARG A 48 21.698 -8.655 -15.204 1.00 35.22 N ATOM 715 CZ ARG A 48 22.979 -8.906 -14.960 1.00 41.32 C ATOM 716 NH1 ARG A 48 23.345 -9.439 -13.803 1.00 64.31 N ATOM 717 NH2 ARG A 48 23.897 -8.623 -15.875 1.00 43.15 N ATOM 0 H ARG A 48 17.461 -12.346 -11.370 1.00 41.31 H new ATOM 0 HA ARG A 48 20.182 -11.810 -12.089 1.00 30.43 H new ATOM 0 HB2 ARG A 48 18.306 -11.234 -14.083 1.00 21.50 H new ATOM 0 HB3 ARG A 48 18.499 -9.701 -13.255 1.00 21.50 H new ATOM 0 HG2 ARG A 48 21.089 -10.963 -13.723 1.00 24.44 H new ATOM 0 HG3 ARG A 48 20.190 -10.803 -15.219 1.00 24.44 H new ATOM 0 HD2 ARG A 48 19.738 -8.364 -14.529 1.00 74.23 H new ATOM 0 HD3 ARG A 48 20.924 -8.600 -13.260 1.00 74.23 H new ATOM 0 HE ARG A 48 21.450 -8.244 -16.104 1.00 35.22 H new ATOM 0 HH11 ARG A 48 22.642 -9.658 -13.097 1.00 64.31 H new ATOM 0 HH12 ARG A 48 24.330 -9.631 -13.619 1.00 64.31 H new ATOM 0 HH21 ARG A 48 23.619 -8.212 -16.766 1.00 43.15 H new ATOM 0 HH22 ARG A 48 24.881 -8.816 -15.687 1.00 43.15 H new ATOM 731 N ASP A 49 20.015 -9.599 -10.734 1.00 71.24 N ATOM 732 CA ASP A 49 19.977 -8.623 -9.652 1.00 23.14 C ATOM 733 C ASP A 49 20.679 -7.331 -10.060 1.00 30.52 C ATOM 734 O ASP A 49 21.907 -7.280 -10.141 1.00 14.30 O ATOM 735 CB ASP A 49 20.632 -9.198 -8.395 1.00 32.43 C ATOM 736 CG ASP A 49 19.645 -9.374 -7.257 1.00 63.20 C ATOM 737 OD1 ASP A 49 19.419 -8.398 -6.511 1.00 63.20 O ATOM 738 OD2 ASP A 49 19.099 -10.487 -7.113 1.00 75.41 O ATOM 0 H ASP A 49 20.872 -9.583 -11.287 1.00 71.24 H new ATOM 0 HA ASP A 49 18.933 -8.396 -9.437 1.00 23.14 H new ATOM 0 HB2 ASP A 49 21.084 -10.161 -8.632 1.00 32.43 H new ATOM 0 HB3 ASP A 49 21.438 -8.538 -8.074 1.00 32.43 H new ATOM 743 N ILE A 50 19.892 -6.292 -10.316 1.00 71.24 N ATOM 744 CA ILE A 50 20.438 -5.001 -10.716 1.00 60.31 C ATOM 745 C ILE A 50 20.711 -4.120 -9.502 1.00 22.21 C ATOM 746 O ILE A 50 19.788 -3.574 -8.896 1.00 64.11 O ATOM 747 CB ILE A 50 19.485 -4.258 -11.671 1.00 64.45 C ATOM 748 CG1 ILE A 50 19.114 -5.154 -12.855 1.00 33.53 C ATOM 749 CG2 ILE A 50 20.125 -2.967 -12.159 1.00 11.24 C ATOM 750 CD1 ILE A 50 20.293 -5.521 -13.729 1.00 35.23 C ATOM 0 H ILE A 50 18.874 -6.319 -10.254 1.00 71.24 H new ATOM 0 HA ILE A 50 21.375 -5.202 -11.235 1.00 60.31 H new ATOM 0 HB ILE A 50 18.573 -4.007 -11.128 1.00 64.45 H new ATOM 0 HG12 ILE A 50 18.653 -6.067 -12.478 1.00 33.53 H new ATOM 0 HG13 ILE A 50 18.365 -4.647 -13.463 1.00 33.53 H new ATOM 0 HG21 ILE A 50 19.440 -2.453 -12.833 1.00 11.24 H new ATOM 0 HG22 ILE A 50 20.345 -2.325 -11.306 1.00 11.24 H new ATOM 0 HG23 ILE A 50 21.050 -3.197 -12.688 1.00 11.24 H new ATOM 0 HD11 ILE A 50 19.955 -6.157 -14.547 1.00 35.23 H new ATOM 0 HD12 ILE A 50 20.741 -4.614 -14.135 1.00 35.23 H new ATOM 0 HD13 ILE A 50 21.033 -6.057 -13.135 1.00 35.23 H new ATOM 762 N THR A 51 21.986 -3.984 -9.151 1.00 44.22 N ATOM 763 CA THR A 51 22.382 -3.168 -8.010 1.00 22.41 C ATOM 764 C THR A 51 22.935 -1.822 -8.462 1.00 1.42 C ATOM 765 O THR A 51 23.844 -1.272 -7.840 1.00 45.30 O ATOM 766 CB THR A 51 23.441 -3.883 -7.149 1.00 44.15 C ATOM 767 OG1 THR A 51 24.680 -3.962 -7.863 1.00 43.12 O ATOM 768 CG2 THR A 51 22.978 -5.282 -6.772 1.00 12.44 C ATOM 0 H THR A 51 22.762 -4.429 -9.641 1.00 44.22 H new ATOM 0 HA THR A 51 21.486 -3.006 -7.411 1.00 22.41 H new ATOM 0 HB THR A 51 23.584 -3.306 -6.235 1.00 44.15 H new ATOM 0 HG1 THR A 51 25.349 -4.416 -7.309 1.00 43.12 H new ATOM 0 HG21 THR A 51 23.742 -5.767 -6.164 1.00 12.44 H new ATOM 0 HG22 THR A 51 22.050 -5.217 -6.204 1.00 12.44 H new ATOM 0 HG23 THR A 51 22.810 -5.866 -7.677 1.00 12.44 H new ATOM 776 N LYS A 52 22.380 -1.294 -9.548 1.00 3.34 N ATOM 777 CA LYS A 52 22.816 -0.009 -10.083 1.00 21.34 C ATOM 778 C LYS A 52 22.113 0.297 -11.401 1.00 44.43 C ATOM 779 O LYS A 52 22.160 -0.482 -12.353 1.00 73.30 O ATOM 780 CB LYS A 52 24.333 -0.007 -10.288 1.00 74.21 C ATOM 781 CG LYS A 52 24.806 1.009 -11.313 1.00 61.31 C ATOM 782 CD LYS A 52 25.997 1.802 -10.803 1.00 3.12 C ATOM 783 CE LYS A 52 25.573 3.161 -10.267 1.00 45.10 C ATOM 784 NZ LYS A 52 25.733 3.249 -8.789 1.00 72.10 N ATOM 0 H LYS A 52 21.627 -1.736 -10.075 1.00 3.34 H new ATOM 0 HA LYS A 52 22.552 0.765 -9.363 1.00 21.34 H new ATOM 0 HB2 LYS A 52 24.820 0.197 -9.334 1.00 74.21 H new ATOM 0 HB3 LYS A 52 24.650 -1.002 -10.601 1.00 74.21 H new ATOM 0 HG2 LYS A 52 25.077 0.497 -12.236 1.00 61.31 H new ATOM 0 HG3 LYS A 52 23.990 1.691 -11.554 1.00 61.31 H new ATOM 0 HD2 LYS A 52 26.500 1.240 -10.016 1.00 3.12 H new ATOM 0 HD3 LYS A 52 26.718 1.936 -11.609 1.00 3.12 H new ATOM 0 HE2 LYS A 52 26.167 3.941 -10.744 1.00 45.10 H new ATOM 0 HE3 LYS A 52 24.532 3.347 -10.531 1.00 45.10 H new ATOM 0 HZ1 LYS A 52 25.434 4.190 -8.463 1.00 72.10 H new ATOM 0 HZ2 LYS A 52 25.147 2.521 -8.332 1.00 72.10 H new ATOM 0 HZ3 LYS A 52 26.731 3.097 -8.538 1.00 72.10 H new ATOM 798 N PRO A 53 21.448 1.460 -11.462 1.00 11.43 N ATOM 799 CA PRO A 53 20.725 1.897 -12.660 1.00 12.33 C ATOM 800 C PRO A 53 21.665 2.263 -13.803 1.00 40.40 C ATOM 801 O PRO A 53 22.867 2.435 -13.601 1.00 64.14 O ATOM 802 CB PRO A 53 19.959 3.133 -12.181 1.00 11.03 C ATOM 803 CG PRO A 53 20.752 3.648 -11.030 1.00 22.35 C ATOM 804 CD PRO A 53 21.351 2.439 -10.365 1.00 75.44 C ATOM 0 HA PRO A 53 20.085 1.110 -13.059 1.00 12.33 H new ATOM 0 HB2 PRO A 53 19.878 3.879 -12.971 1.00 11.03 H new ATOM 0 HB3 PRO A 53 18.943 2.877 -11.879 1.00 11.03 H new ATOM 0 HG2 PRO A 53 21.530 4.333 -11.367 1.00 22.35 H new ATOM 0 HG3 PRO A 53 20.119 4.201 -10.336 1.00 22.35 H new ATOM 0 HD2 PRO A 53 22.328 2.659 -9.935 1.00 75.44 H new ATOM 0 HD3 PRO A 53 20.721 2.073 -9.554 1.00 75.44 H new ATOM 812 N LYS A 54 21.110 2.382 -15.004 1.00 51.33 N ATOM 813 CA LYS A 54 21.898 2.730 -16.181 1.00 31.12 C ATOM 814 C LYS A 54 21.322 3.959 -16.877 1.00 64.14 C ATOM 815 O LYS A 54 21.999 4.604 -17.678 1.00 33.35 O ATOM 816 CB LYS A 54 21.943 1.552 -17.156 1.00 73.25 C ATOM 817 CG LYS A 54 20.574 1.126 -17.660 1.00 2.52 C ATOM 818 CD LYS A 54 19.914 0.138 -16.713 1.00 1.21 C ATOM 819 CE LYS A 54 20.349 -1.290 -17.005 1.00 41.44 C ATOM 820 NZ LYS A 54 19.827 -1.771 -18.314 1.00 64.24 N ATOM 0 H LYS A 54 20.117 2.242 -15.188 1.00 51.33 H new ATOM 0 HA LYS A 54 22.912 2.961 -15.854 1.00 31.12 H new ATOM 0 HB2 LYS A 54 22.567 1.820 -18.008 1.00 73.25 H new ATOM 0 HB3 LYS A 54 22.421 0.704 -16.666 1.00 73.25 H new ATOM 0 HG2 LYS A 54 19.938 2.004 -17.773 1.00 2.52 H new ATOM 0 HG3 LYS A 54 20.673 0.675 -18.647 1.00 2.52 H new ATOM 0 HD2 LYS A 54 20.168 0.394 -15.684 1.00 1.21 H new ATOM 0 HD3 LYS A 54 18.830 0.215 -16.803 1.00 1.21 H new ATOM 0 HE2 LYS A 54 21.438 -1.345 -17.005 1.00 41.44 H new ATOM 0 HE3 LYS A 54 19.997 -1.947 -16.210 1.00 41.44 H new ATOM 0 HZ1 LYS A 54 19.086 -2.483 -18.152 1.00 64.24 H new ATOM 0 HZ2 LYS A 54 19.428 -0.970 -18.844 1.00 64.24 H new ATOM 0 HZ3 LYS A 54 20.602 -2.196 -18.862 1.00 64.24 H new ATOM 834 N ASN A 55 20.070 4.278 -16.566 1.00 62.34 N ATOM 835 CA ASN A 55 19.404 5.430 -17.162 1.00 44.43 C ATOM 836 C ASN A 55 18.378 6.023 -16.201 1.00 64.11 C ATOM 837 O ASN A 55 17.262 6.357 -16.596 1.00 63.15 O ATOM 838 CB ASN A 55 18.722 5.031 -18.472 1.00 33.52 C ATOM 839 CG ASN A 55 18.629 6.185 -19.451 1.00 73.42 C ATOM 840 OD1 ASN A 55 19.229 7.239 -19.244 1.00 44.10 O ATOM 841 ND2 ASN A 55 17.873 5.989 -20.525 1.00 53.44 N ATOM 0 H ASN A 55 19.496 3.755 -15.905 1.00 62.34 H new ATOM 0 HA ASN A 55 20.160 6.187 -17.370 1.00 44.43 H new ATOM 0 HB2 ASN A 55 19.275 4.212 -18.932 1.00 33.52 H new ATOM 0 HB3 ASN A 55 17.720 4.658 -18.258 1.00 33.52 H new ATOM 0 HD21 ASN A 55 17.772 6.729 -21.219 1.00 53.44 H new ATOM 0 HD22 ASN A 55 17.394 5.098 -20.656 1.00 53.44 H new ATOM 848 N GLY A 56 18.766 6.151 -14.936 1.00 34.25 N ATOM 849 CA GLY A 56 17.869 6.703 -13.938 1.00 14.45 C ATOM 850 C GLY A 56 16.870 5.684 -13.427 1.00 61.51 C ATOM 851 O GLY A 56 16.248 5.883 -12.384 1.00 32.53 O ATOM 0 H GLY A 56 19.685 5.882 -14.585 1.00 34.25 H new ATOM 0 HA2 GLY A 56 18.453 7.085 -13.101 1.00 14.45 H new ATOM 0 HA3 GLY A 56 17.332 7.550 -14.365 1.00 14.45 H new ATOM 855 N ARG A 57 16.715 4.589 -14.165 1.00 22.12 N ATOM 856 CA ARG A 57 15.783 3.535 -13.782 1.00 51.42 C ATOM 857 C ARG A 57 16.436 2.162 -13.902 1.00 71.42 C ATOM 858 O ARG A 57 17.482 2.014 -14.534 1.00 20.11 O ATOM 859 CB ARG A 57 14.528 3.594 -14.655 1.00 62.45 C ATOM 860 CG ARG A 57 14.079 5.008 -14.983 1.00 11.33 C ATOM 861 CD ARG A 57 13.823 5.181 -16.472 1.00 1.13 C ATOM 862 NE ARG A 57 13.085 6.408 -16.762 1.00 22.45 N ATOM 863 CZ ARG A 57 12.655 6.738 -17.974 1.00 65.54 C ATOM 864 NH1 ARG A 57 12.889 5.936 -19.005 1.00 13.23 N ATOM 865 NH2 ARG A 57 11.991 7.871 -18.158 1.00 75.05 N ATOM 0 H ARG A 57 17.223 4.409 -15.031 1.00 22.12 H new ATOM 0 HA ARG A 57 15.501 3.694 -12.741 1.00 51.42 H new ATOM 0 HB2 ARG A 57 14.717 3.057 -15.585 1.00 62.45 H new ATOM 0 HB3 ARG A 57 13.717 3.073 -14.146 1.00 62.45 H new ATOM 0 HG2 ARG A 57 13.171 5.240 -14.427 1.00 11.33 H new ATOM 0 HG3 ARG A 57 14.841 5.717 -14.659 1.00 11.33 H new ATOM 0 HD2 ARG A 57 14.774 5.196 -17.004 1.00 1.13 H new ATOM 0 HD3 ARG A 57 13.262 4.324 -16.845 1.00 1.13 H new ATOM 0 HE ARG A 57 12.889 7.046 -15.991 1.00 22.45 H new ATOM 0 HH11 ARG A 57 13.400 5.064 -18.867 1.00 13.23 H new ATOM 0 HH12 ARG A 57 12.558 6.191 -19.935 1.00 13.23 H new ATOM 0 HH21 ARG A 57 11.810 8.490 -17.368 1.00 75.05 H new ATOM 0 HH22 ARG A 57 11.661 8.123 -19.090 1.00 75.05 H new ATOM 879 N TRP A 58 15.812 1.161 -13.292 1.00 20.24 N ATOM 880 CA TRP A 58 16.333 -0.201 -13.330 1.00 30.14 C ATOM 881 C TRP A 58 15.813 -0.949 -14.552 1.00 75.10 C ATOM 882 O TRP A 58 14.710 -1.498 -14.532 1.00 64.00 O ATOM 883 CB TRP A 58 15.947 -0.952 -12.054 1.00 65.33 C ATOM 884 CG TRP A 58 16.139 -0.143 -10.807 1.00 54.14 C ATOM 885 CD1 TRP A 58 15.281 0.789 -10.296 1.00 3.11 C ATOM 886 CD2 TRP A 58 17.258 -0.193 -9.917 1.00 4.53 C ATOM 887 NE1 TRP A 58 15.801 1.322 -9.141 1.00 31.12 N ATOM 888 CE2 TRP A 58 17.012 0.736 -8.886 1.00 65.21 C ATOM 889 CE3 TRP A 58 18.444 -0.932 -9.888 1.00 52.02 C ATOM 890 CZ2 TRP A 58 17.909 0.943 -7.842 1.00 25.24 C ATOM 891 CZ3 TRP A 58 19.333 -0.725 -8.851 1.00 21.10 C ATOM 892 CH2 TRP A 58 19.062 0.205 -7.839 1.00 1.32 C ATOM 0 H TRP A 58 14.945 1.266 -12.765 1.00 20.24 H new ATOM 0 HA TRP A 58 17.420 -0.146 -13.397 1.00 30.14 H new ATOM 0 HB2 TRP A 58 14.903 -1.258 -12.123 1.00 65.33 H new ATOM 0 HB3 TRP A 58 16.542 -1.863 -11.983 1.00 65.33 H new ATOM 0 HD1 TRP A 58 14.334 1.066 -10.735 1.00 3.11 H new ATOM 0 HE1 TRP A 58 15.357 2.038 -8.567 1.00 31.12 H new ATOM 0 HE3 TRP A 58 18.662 -1.652 -10.663 1.00 52.02 H new ATOM 0 HZ2 TRP A 58 17.703 1.661 -7.062 1.00 25.24 H new ATOM 0 HZ3 TRP A 58 20.253 -1.290 -8.820 1.00 21.10 H new ATOM 0 HH2 TRP A 58 19.777 0.342 -7.041 1.00 1.32 H new ATOM 903 N ILE A 59 16.611 -0.967 -15.614 1.00 22.03 N ATOM 904 CA ILE A 59 16.230 -1.649 -16.844 1.00 62.41 C ATOM 905 C ILE A 59 16.887 -3.023 -16.937 1.00 15.31 C ATOM 906 O ILE A 59 18.039 -3.200 -16.541 1.00 72.01 O ATOM 907 CB ILE A 59 16.613 -0.825 -18.087 1.00 44.31 C ATOM 908 CG1 ILE A 59 16.106 0.612 -17.949 1.00 1.21 C ATOM 909 CG2 ILE A 59 16.053 -1.471 -19.345 1.00 61.31 C ATOM 910 CD1 ILE A 59 16.879 1.609 -18.784 1.00 72.23 C ATOM 0 H ILE A 59 17.526 -0.517 -15.647 1.00 22.03 H new ATOM 0 HA ILE A 59 15.147 -1.767 -16.816 1.00 62.41 H new ATOM 0 HB ILE A 59 17.700 -0.801 -18.168 1.00 44.31 H new ATOM 0 HG12 ILE A 59 15.055 0.647 -18.237 1.00 1.21 H new ATOM 0 HG13 ILE A 59 16.160 0.909 -16.902 1.00 1.21 H new ATOM 0 HG21 ILE A 59 16.333 -0.876 -20.215 1.00 61.31 H new ATOM 0 HG22 ILE A 59 16.458 -2.478 -19.448 1.00 61.31 H new ATOM 0 HG23 ILE A 59 14.966 -1.523 -19.275 1.00 61.31 H new ATOM 0 HD11 ILE A 59 16.464 2.606 -18.636 1.00 72.23 H new ATOM 0 HD12 ILE A 59 17.926 1.603 -18.481 1.00 72.23 H new ATOM 0 HD13 ILE A 59 16.804 1.337 -19.837 1.00 72.23 H new ATOM 922 N PHE A 60 16.146 -3.992 -17.464 1.00 50.14 N ATOM 923 CA PHE A 60 16.656 -5.350 -17.611 1.00 31.24 C ATOM 924 C PHE A 60 16.351 -5.899 -19.001 1.00 53.03 C ATOM 925 O PHE A 60 15.306 -5.603 -19.582 1.00 3.53 O ATOM 926 CB PHE A 60 16.047 -6.264 -16.545 1.00 3.34 C ATOM 927 CG PHE A 60 16.432 -7.707 -16.701 1.00 62.13 C ATOM 928 CD1 PHE A 60 17.737 -8.061 -17.004 1.00 42.31 C ATOM 929 CD2 PHE A 60 15.489 -8.710 -16.545 1.00 62.12 C ATOM 930 CE1 PHE A 60 18.094 -9.388 -17.150 1.00 33.14 C ATOM 931 CE2 PHE A 60 15.840 -10.039 -16.689 1.00 70.41 C ATOM 932 CZ PHE A 60 17.144 -10.379 -16.991 1.00 3.44 C ATOM 0 H PHE A 60 15.190 -3.862 -17.796 1.00 50.14 H new ATOM 0 HA PHE A 60 17.738 -5.321 -17.481 1.00 31.24 H new ATOM 0 HB2 PHE A 60 16.359 -5.918 -15.560 1.00 3.34 H new ATOM 0 HB3 PHE A 60 14.961 -6.180 -16.583 1.00 3.34 H new ATOM 0 HD1 PHE A 60 18.484 -7.291 -17.128 1.00 42.31 H new ATOM 0 HD2 PHE A 60 14.468 -8.450 -16.308 1.00 62.12 H new ATOM 0 HE1 PHE A 60 19.114 -9.650 -17.388 1.00 33.14 H new ATOM 0 HE2 PHE A 60 15.095 -10.811 -16.565 1.00 70.41 H new ATOM 0 HZ PHE A 60 17.421 -11.417 -17.103 1.00 3.44 H new ATOM 942 N ARG A 61 17.270 -6.700 -19.530 1.00 22.04 N ATOM 943 CA ARG A 61 17.101 -7.289 -20.853 1.00 21.15 C ATOM 944 C ARG A 61 17.509 -8.759 -20.849 1.00 62.41 C ATOM 945 O ARG A 61 18.607 -9.108 -20.415 1.00 21.21 O ATOM 946 CB ARG A 61 17.928 -6.522 -21.885 1.00 43.54 C ATOM 947 CG ARG A 61 17.545 -5.056 -22.005 1.00 41.41 C ATOM 948 CD ARG A 61 18.305 -4.198 -21.005 1.00 52.24 C ATOM 949 NE ARG A 61 19.090 -3.156 -21.663 1.00 34.31 N ATOM 950 CZ ARG A 61 20.309 -3.353 -22.152 1.00 74.45 C ATOM 951 NH1 ARG A 61 20.879 -4.547 -22.060 1.00 10.35 N ATOM 952 NH2 ARG A 61 20.959 -2.356 -22.737 1.00 44.31 N ATOM 0 H ARG A 61 18.140 -6.956 -19.062 1.00 22.04 H new ATOM 0 HA ARG A 61 16.047 -7.223 -21.121 1.00 21.15 H new ATOM 0 HB2 ARG A 61 18.982 -6.593 -21.618 1.00 43.54 H new ATOM 0 HB3 ARG A 61 17.813 -7.000 -22.858 1.00 43.54 H new ATOM 0 HG2 ARG A 61 17.751 -4.707 -23.017 1.00 41.41 H new ATOM 0 HG3 ARG A 61 16.473 -4.944 -21.841 1.00 41.41 H new ATOM 0 HD2 ARG A 61 17.600 -3.738 -20.313 1.00 52.24 H new ATOM 0 HD3 ARG A 61 18.966 -4.831 -20.413 1.00 52.24 H new ATOM 0 HE ARG A 61 18.679 -2.227 -21.752 1.00 34.31 H new ATOM 0 HH11 ARG A 61 20.381 -5.317 -21.613 1.00 10.35 H new ATOM 0 HH12 ARG A 61 21.815 -4.696 -22.436 1.00 10.35 H new ATOM 0 HH21 ARG A 61 20.523 -1.437 -22.812 1.00 44.31 H new ATOM 0 HH22 ARG A 61 21.895 -2.508 -23.112 1.00 44.31 H new ATOM 966 N ASP A 62 16.618 -9.616 -21.335 1.00 61.33 N ATOM 967 CA ASP A 62 16.885 -11.049 -21.389 1.00 2.10 C ATOM 968 C ASP A 62 17.257 -11.480 -22.804 1.00 53.35 C ATOM 969 O ASP A 62 17.326 -10.656 -23.717 1.00 1.35 O ATOM 970 CB ASP A 62 15.665 -11.835 -20.907 1.00 22.22 C ATOM 971 CG ASP A 62 15.802 -12.292 -19.468 1.00 4.13 C ATOM 972 OD1 ASP A 62 16.944 -12.559 -19.036 1.00 74.51 O ATOM 973 OD2 ASP A 62 14.769 -12.381 -18.773 1.00 11.21 O ATOM 0 H ASP A 62 15.704 -9.343 -21.697 1.00 61.33 H new ATOM 0 HA ASP A 62 17.728 -11.261 -20.731 1.00 2.10 H new ATOM 0 HB2 ASP A 62 14.775 -11.214 -21.005 1.00 22.22 H new ATOM 0 HB3 ASP A 62 15.520 -12.704 -21.549 1.00 22.22 H new ATOM 978 N ARG A 63 17.495 -12.775 -22.980 1.00 24.32 N ATOM 979 CA ARG A 63 17.862 -13.315 -24.283 1.00 62.05 C ATOM 980 C ARG A 63 17.354 -14.745 -24.442 1.00 51.04 C ATOM 981 O ARG A 63 17.814 -15.485 -25.311 1.00 4.23 O ATOM 982 CB ARG A 63 19.381 -13.279 -24.465 1.00 73.02 C ATOM 983 CG ARG A 63 19.939 -11.877 -24.650 1.00 71.44 C ATOM 984 CD ARG A 63 21.458 -11.888 -24.722 1.00 52.30 C ATOM 985 NE ARG A 63 22.043 -10.696 -24.112 1.00 74.52 N ATOM 986 CZ ARG A 63 23.337 -10.569 -23.843 1.00 41.20 C ATOM 987 NH1 ARG A 63 24.177 -11.554 -24.129 1.00 3.23 N ATOM 988 NH2 ARG A 63 23.794 -9.454 -23.287 1.00 54.43 N ATOM 0 H ARG A 63 17.440 -13.470 -22.236 1.00 24.32 H new ATOM 0 HA ARG A 63 17.396 -12.695 -25.049 1.00 62.05 H new ATOM 0 HB2 ARG A 63 19.854 -13.737 -23.596 1.00 73.02 H new ATOM 0 HB3 ARG A 63 19.649 -13.885 -25.330 1.00 73.02 H new ATOM 0 HG2 ARG A 63 19.533 -11.440 -25.563 1.00 71.44 H new ATOM 0 HG3 ARG A 63 19.617 -11.244 -23.823 1.00 71.44 H new ATOM 0 HD2 ARG A 63 21.838 -12.777 -24.219 1.00 52.30 H new ATOM 0 HD3 ARG A 63 21.771 -11.953 -25.764 1.00 52.30 H new ATOM 0 HE ARG A 63 21.424 -9.919 -23.880 1.00 74.52 H new ATOM 0 HH11 ARG A 63 23.830 -12.412 -24.557 1.00 3.23 H new ATOM 0 HH12 ARG A 63 25.171 -11.453 -23.921 1.00 3.23 H new ATOM 0 HH21 ARG A 63 23.151 -8.694 -23.066 1.00 54.43 H new ATOM 0 HH22 ARG A 63 24.788 -9.357 -23.081 1.00 54.43 H new ATOM 1002 N ASN A 64 16.402 -15.127 -23.597 1.00 50.40 N ATOM 1003 CA ASN A 64 15.832 -16.468 -23.643 1.00 32.11 C ATOM 1004 C ASN A 64 14.313 -16.418 -23.513 1.00 34.35 C ATOM 1005 O ASN A 64 13.667 -17.436 -23.264 1.00 60.12 O ATOM 1006 CB ASN A 64 16.422 -17.334 -22.528 1.00 64.25 C ATOM 1007 CG ASN A 64 16.039 -16.839 -21.147 1.00 65.21 C ATOM 1008 OD1 ASN A 64 15.138 -17.383 -20.509 1.00 0.33 O ATOM 1009 ND2 ASN A 64 16.725 -15.802 -20.679 1.00 73.43 N ATOM 0 H ASN A 64 16.009 -14.527 -22.872 1.00 50.40 H new ATOM 0 HA ASN A 64 16.082 -16.909 -24.608 1.00 32.11 H new ATOM 0 HB2 ASN A 64 16.080 -18.362 -22.650 1.00 64.25 H new ATOM 0 HB3 ASN A 64 17.508 -17.347 -22.618 1.00 64.25 H new ATOM 0 HD21 ASN A 64 16.513 -15.425 -19.755 1.00 73.43 H new ATOM 0 HD22 ASN A 64 17.464 -15.383 -21.243 1.00 73.43 H new ATOM 1016 N ALA A 65 13.748 -15.227 -23.682 1.00 63.15 N ATOM 1017 CA ALA A 65 12.305 -15.045 -23.587 1.00 4.44 C ATOM 1018 C ALA A 65 11.677 -14.899 -24.969 1.00 4.14 C ATOM 1019 O ALA A 65 11.865 -13.886 -25.642 1.00 71.22 O ATOM 1020 CB ALA A 65 11.983 -13.831 -22.728 1.00 12.05 C ATOM 0 H ALA A 65 14.268 -14.373 -23.885 1.00 63.15 H new ATOM 0 HA ALA A 65 11.882 -15.933 -23.117 1.00 4.44 H new ATOM 0 HB1 ALA A 65 10.902 -13.706 -22.665 1.00 12.05 H new ATOM 0 HB2 ALA A 65 12.391 -13.975 -21.727 1.00 12.05 H new ATOM 0 HB3 ALA A 65 12.426 -12.941 -23.175 1.00 12.05 H new ATOM 1026 N ALA A 66 10.932 -15.917 -25.385 1.00 62.32 N ATOM 1027 CA ALA A 66 10.276 -15.901 -26.687 1.00 33.45 C ATOM 1028 C ALA A 66 8.775 -15.671 -26.542 1.00 3.53 C ATOM 1029 O ALA A 66 7.996 -16.620 -26.455 1.00 21.53 O ATOM 1030 CB ALA A 66 10.542 -17.203 -27.428 1.00 22.10 C ATOM 0 H ALA A 66 10.767 -16.763 -24.840 1.00 62.32 H new ATOM 0 HA ALA A 66 10.690 -15.075 -27.265 1.00 33.45 H new ATOM 0 HB1 ALA A 66 10.046 -17.177 -28.398 1.00 22.10 H new ATOM 0 HB2 ALA A 66 11.615 -17.327 -27.572 1.00 22.10 H new ATOM 0 HB3 ALA A 66 10.155 -18.039 -26.845 1.00 22.10 H new ATOM 1036 N LEU A 67 8.376 -14.404 -26.516 1.00 4.32 N ATOM 1037 CA LEU A 67 6.968 -14.048 -26.381 1.00 1.33 C ATOM 1038 C LEU A 67 6.616 -12.868 -27.282 1.00 32.43 C ATOM 1039 O LEU A 67 7.495 -12.238 -27.870 1.00 14.22 O ATOM 1040 CB LEU A 67 6.645 -13.706 -24.925 1.00 25.20 C ATOM 1041 CG LEU A 67 7.092 -12.325 -24.445 1.00 13.32 C ATOM 1042 CD1 LEU A 67 8.543 -12.071 -24.824 1.00 15.14 C ATOM 1043 CD2 LEU A 67 6.191 -11.243 -25.022 1.00 53.30 C ATOM 0 H LEU A 67 9.008 -13.606 -26.587 1.00 4.32 H new ATOM 0 HA LEU A 67 6.371 -14.907 -26.687 1.00 1.33 H new ATOM 0 HB2 LEU A 67 5.567 -13.786 -24.784 1.00 25.20 H new ATOM 0 HB3 LEU A 67 7.107 -14.458 -24.285 1.00 25.20 H new ATOM 0 HG LEU A 67 7.012 -12.296 -23.358 1.00 13.32 H new ATOM 0 HD11 LEU A 67 8.843 -11.083 -24.474 1.00 15.14 H new ATOM 0 HD12 LEU A 67 9.177 -12.828 -24.362 1.00 15.14 H new ATOM 0 HD13 LEU A 67 8.650 -12.120 -25.908 1.00 15.14 H new ATOM 0 HD21 LEU A 67 6.524 -10.267 -24.670 1.00 53.30 H new ATOM 0 HD22 LEU A 67 6.239 -11.272 -26.111 1.00 53.30 H new ATOM 0 HD23 LEU A 67 5.164 -11.414 -24.699 1.00 53.30 H new ATOM 1055 N LYS A 68 5.324 -12.574 -27.384 1.00 42.00 N ATOM 1056 CA LYS A 68 4.854 -11.468 -28.210 1.00 61.20 C ATOM 1057 C LYS A 68 3.479 -10.993 -27.751 1.00 42.44 C ATOM 1058 O LYS A 68 2.769 -11.708 -27.045 1.00 33.32 O ATOM 1059 CB LYS A 68 4.795 -11.891 -29.679 1.00 70.55 C ATOM 1060 CG LYS A 68 4.025 -13.180 -29.911 1.00 30.12 C ATOM 1061 CD LYS A 68 4.942 -14.391 -29.881 1.00 4.01 C ATOM 1062 CE LYS A 68 4.315 -15.583 -30.587 1.00 30.21 C ATOM 1063 NZ LYS A 68 5.329 -16.616 -30.939 1.00 14.13 N ATOM 0 H LYS A 68 4.584 -13.086 -26.905 1.00 42.00 H new ATOM 0 HA LYS A 68 5.558 -10.643 -28.104 1.00 61.20 H new ATOM 0 HB2 LYS A 68 4.333 -11.092 -30.260 1.00 70.55 H new ATOM 0 HB3 LYS A 68 5.811 -12.012 -30.055 1.00 70.55 H new ATOM 0 HG2 LYS A 68 3.255 -13.287 -29.147 1.00 30.12 H new ATOM 0 HG3 LYS A 68 3.515 -13.132 -30.873 1.00 30.12 H new ATOM 0 HD2 LYS A 68 5.890 -14.142 -30.357 1.00 4.01 H new ATOM 0 HD3 LYS A 68 5.164 -14.655 -28.847 1.00 4.01 H new ATOM 0 HE2 LYS A 68 3.553 -16.026 -29.945 1.00 30.21 H new ATOM 0 HE3 LYS A 68 3.811 -15.245 -31.493 1.00 30.21 H new ATOM 0 HZ1 LYS A 68 4.862 -17.412 -31.418 1.00 14.13 H new ATOM 0 HZ2 LYS A 68 6.042 -16.201 -31.572 1.00 14.13 H new ATOM 0 HZ3 LYS A 68 5.792 -16.957 -30.073 1.00 14.13 H new ATOM 1077 N ILE A 69 3.111 -9.783 -28.159 1.00 15.24 N ATOM 1078 CA ILE A 69 1.820 -9.214 -27.791 1.00 73.11 C ATOM 1079 C ILE A 69 0.753 -10.298 -27.679 1.00 23.21 C ATOM 1080 O ILE A 69 0.469 -11.006 -28.644 1.00 33.10 O ATOM 1081 CB ILE A 69 1.358 -8.159 -28.814 1.00 33.23 C ATOM 1082 CG1 ILE A 69 2.192 -6.884 -28.676 1.00 15.25 C ATOM 1083 CG2 ILE A 69 -0.121 -7.854 -28.629 1.00 33.24 C ATOM 1084 CD1 ILE A 69 1.838 -6.060 -27.457 1.00 40.33 C ATOM 0 H ILE A 69 3.688 -9.178 -28.744 1.00 15.24 H new ATOM 0 HA ILE A 69 1.951 -8.735 -26.821 1.00 73.11 H new ATOM 0 HB ILE A 69 1.504 -8.559 -29.817 1.00 33.23 H new ATOM 0 HG12 ILE A 69 3.247 -7.153 -28.629 1.00 15.25 H new ATOM 0 HG13 ILE A 69 2.058 -6.273 -29.569 1.00 15.25 H new ATOM 0 HG21 ILE A 69 -0.433 -7.107 -29.359 1.00 33.24 H new ATOM 0 HG22 ILE A 69 -0.701 -8.766 -28.772 1.00 33.24 H new ATOM 0 HG23 ILE A 69 -0.290 -7.471 -27.623 1.00 33.24 H new ATOM 0 HD11 ILE A 69 2.468 -5.171 -27.423 1.00 40.33 H new ATOM 0 HD12 ILE A 69 0.791 -5.761 -27.512 1.00 40.33 H new ATOM 0 HD13 ILE A 69 1.999 -6.654 -26.557 1.00 40.33 H new ATOM 1096 N GLY A 70 0.165 -10.421 -26.493 1.00 35.30 N ATOM 1097 CA GLY A 70 -0.866 -11.420 -26.276 1.00 63.23 C ATOM 1098 C GLY A 70 -0.515 -12.381 -25.158 1.00 32.41 C ATOM 1099 O GLY A 70 -1.400 -12.904 -24.480 1.00 23.14 O ATOM 0 H GLY A 70 0.384 -9.847 -25.679 1.00 35.30 H new ATOM 0 HA2 GLY A 70 -1.807 -10.922 -26.041 1.00 63.23 H new ATOM 0 HA3 GLY A 70 -1.024 -11.981 -27.197 1.00 63.23 H new ATOM 1103 N ASP A 71 0.778 -12.616 -24.966 1.00 30.53 N ATOM 1104 CA ASP A 71 1.244 -13.522 -23.922 1.00 34.21 C ATOM 1105 C ASP A 71 0.991 -12.932 -22.538 1.00 20.10 C ATOM 1106 O ASP A 71 0.492 -11.814 -22.409 1.00 73.13 O ATOM 1107 CB ASP A 71 2.734 -13.817 -24.100 1.00 52.01 C ATOM 1108 CG ASP A 71 2.983 -15.140 -24.798 1.00 11.34 C ATOM 1109 OD1 ASP A 71 2.129 -16.043 -24.679 1.00 53.40 O ATOM 1110 OD2 ASP A 71 4.033 -15.272 -25.461 1.00 74.44 O ATOM 0 H ASP A 71 1.522 -12.192 -25.519 1.00 30.53 H new ATOM 0 HA ASP A 71 0.685 -14.454 -24.008 1.00 34.21 H new ATOM 0 HB2 ASP A 71 3.194 -13.014 -24.675 1.00 52.01 H new ATOM 0 HB3 ASP A 71 3.218 -13.828 -23.124 1.00 52.01 H new ATOM 1115 N LYS A 72 1.338 -13.691 -21.504 1.00 64.43 N ATOM 1116 CA LYS A 72 1.150 -13.245 -20.129 1.00 41.01 C ATOM 1117 C LYS A 72 2.354 -13.613 -19.268 1.00 22.00 C ATOM 1118 O LYS A 72 3.153 -14.474 -19.638 1.00 5.32 O ATOM 1119 CB LYS A 72 -0.120 -13.863 -19.540 1.00 23.22 C ATOM 1120 CG LYS A 72 -1.367 -13.028 -19.772 1.00 71.33 C ATOM 1121 CD LYS A 72 -2.383 -13.769 -20.626 1.00 22.13 C ATOM 1122 CE LYS A 72 -3.056 -12.840 -21.624 1.00 44.32 C ATOM 1123 NZ LYS A 72 -4.146 -13.525 -22.373 1.00 4.15 N ATOM 0 H LYS A 72 1.751 -14.619 -21.593 1.00 64.43 H new ATOM 0 HA LYS A 72 1.049 -12.160 -20.136 1.00 41.01 H new ATOM 0 HB2 LYS A 72 -0.269 -14.851 -19.975 1.00 23.22 H new ATOM 0 HB3 LYS A 72 0.018 -14.004 -18.468 1.00 23.22 H new ATOM 0 HG2 LYS A 72 -1.816 -12.769 -18.813 1.00 71.33 H new ATOM 0 HG3 LYS A 72 -1.094 -12.092 -20.259 1.00 71.33 H new ATOM 0 HD2 LYS A 72 -1.888 -14.581 -21.159 1.00 22.13 H new ATOM 0 HD3 LYS A 72 -3.138 -14.223 -19.984 1.00 22.13 H new ATOM 0 HE2 LYS A 72 -3.464 -11.977 -21.098 1.00 44.32 H new ATOM 0 HE3 LYS A 72 -2.313 -12.463 -22.327 1.00 44.32 H new ATOM 0 HZ1 LYS A 72 -4.579 -12.858 -23.043 1.00 4.15 H new ATOM 0 HZ2 LYS A 72 -3.753 -14.334 -22.895 1.00 4.15 H new ATOM 0 HZ3 LYS A 72 -4.868 -13.862 -21.705 1.00 4.15 H new ATOM 1137 N ILE A 73 2.477 -12.957 -18.119 1.00 34.32 N ATOM 1138 CA ILE A 73 3.582 -13.218 -17.205 1.00 33.21 C ATOM 1139 C ILE A 73 3.101 -13.256 -15.758 1.00 44.21 C ATOM 1140 O ILE A 73 2.113 -12.613 -15.404 1.00 53.13 O ATOM 1141 CB ILE A 73 4.687 -12.154 -17.340 1.00 31.13 C ATOM 1142 CG1 ILE A 73 5.236 -12.136 -18.768 1.00 25.25 C ATOM 1143 CG2 ILE A 73 5.803 -12.420 -16.340 1.00 54.21 C ATOM 1144 CD1 ILE A 73 6.006 -10.878 -19.103 1.00 50.20 C ATOM 0 H ILE A 73 1.825 -12.241 -17.799 1.00 34.32 H new ATOM 0 HA ILE A 73 3.992 -14.191 -17.474 1.00 33.21 H new ATOM 0 HB ILE A 73 4.258 -11.176 -17.124 1.00 31.13 H new ATOM 0 HG12 ILE A 73 5.887 -12.999 -18.909 1.00 25.25 H new ATOM 0 HG13 ILE A 73 4.408 -12.243 -19.469 1.00 25.25 H new ATOM 0 HG21 ILE A 73 6.577 -11.660 -16.447 1.00 54.21 H new ATOM 0 HG22 ILE A 73 5.400 -12.387 -15.328 1.00 54.21 H new ATOM 0 HG23 ILE A 73 6.233 -13.404 -16.528 1.00 54.21 H new ATOM 0 HD11 ILE A 73 6.366 -10.934 -20.130 1.00 50.20 H new ATOM 0 HD12 ILE A 73 5.353 -10.012 -18.994 1.00 50.20 H new ATOM 0 HD13 ILE A 73 6.855 -10.780 -18.426 1.00 50.20 H new ATOM 1156 N TYR A 74 3.809 -14.011 -14.925 1.00 74.45 N ATOM 1157 CA TYR A 74 3.454 -14.134 -13.516 1.00 45.43 C ATOM 1158 C TYR A 74 4.691 -14.409 -12.666 1.00 33.22 C ATOM 1159 O TYR A 74 5.247 -15.507 -12.695 1.00 74.40 O ATOM 1160 CB TYR A 74 2.428 -15.251 -13.322 1.00 23.13 C ATOM 1161 CG TYR A 74 1.457 -15.388 -14.472 1.00 72.22 C ATOM 1162 CD1 TYR A 74 1.779 -16.143 -15.593 1.00 73.41 C ATOM 1163 CD2 TYR A 74 0.216 -14.763 -14.438 1.00 23.14 C ATOM 1164 CE1 TYR A 74 0.894 -16.271 -16.647 1.00 4.44 C ATOM 1165 CE2 TYR A 74 -0.675 -14.886 -15.486 1.00 21.00 C ATOM 1166 CZ TYR A 74 -0.331 -15.640 -16.588 1.00 71.34 C ATOM 1167 OH TYR A 74 -1.215 -15.766 -17.635 1.00 54.23 O ATOM 0 H TYR A 74 4.632 -14.547 -15.201 1.00 74.45 H new ATOM 0 HA TYR A 74 3.016 -13.189 -13.193 1.00 45.43 H new ATOM 0 HB2 TYR A 74 2.954 -16.196 -13.187 1.00 23.13 H new ATOM 0 HB3 TYR A 74 1.868 -15.064 -12.406 1.00 23.13 H new ATOM 0 HD1 TYR A 74 2.737 -16.638 -15.642 1.00 73.41 H new ATOM 0 HD2 TYR A 74 -0.056 -14.171 -13.577 1.00 23.14 H new ATOM 0 HE1 TYR A 74 1.160 -16.861 -17.511 1.00 4.44 H new ATOM 0 HE2 TYR A 74 -1.636 -14.394 -15.443 1.00 21.00 H new ATOM 0 HH TYR A 74 -2.031 -15.262 -17.436 1.00 54.23 H new ATOM 1177 N PHE A 75 5.115 -13.404 -11.908 1.00 5.41 N ATOM 1178 CA PHE A 75 6.286 -13.536 -11.048 1.00 41.34 C ATOM 1179 C PHE A 75 6.347 -12.398 -10.034 1.00 12.24 C ATOM 1180 O PHE A 75 5.357 -11.703 -9.804 1.00 73.23 O ATOM 1181 CB PHE A 75 7.564 -13.552 -11.890 1.00 72.20 C ATOM 1182 CG PHE A 75 7.944 -12.203 -12.429 1.00 40.22 C ATOM 1183 CD1 PHE A 75 7.026 -11.439 -13.133 1.00 21.55 C ATOM 1184 CD2 PHE A 75 9.219 -11.697 -12.232 1.00 71.52 C ATOM 1185 CE1 PHE A 75 7.374 -10.198 -13.630 1.00 53.13 C ATOM 1186 CE2 PHE A 75 9.572 -10.456 -12.727 1.00 62.23 C ATOM 1187 CZ PHE A 75 8.648 -9.705 -13.426 1.00 71.14 C ATOM 0 H PHE A 75 4.666 -12.489 -11.871 1.00 5.41 H new ATOM 0 HA PHE A 75 6.204 -14.478 -10.506 1.00 41.34 H new ATOM 0 HB2 PHE A 75 8.384 -13.936 -11.284 1.00 72.20 H new ATOM 0 HB3 PHE A 75 7.432 -14.243 -12.723 1.00 72.20 H new ATOM 0 HD1 PHE A 75 6.028 -11.818 -13.295 1.00 21.55 H new ATOM 0 HD2 PHE A 75 9.946 -12.280 -11.685 1.00 71.52 H new ATOM 0 HE1 PHE A 75 6.650 -9.613 -14.178 1.00 53.13 H new ATOM 0 HE2 PHE A 75 10.569 -10.074 -12.567 1.00 62.23 H new ATOM 0 HZ PHE A 75 8.921 -8.734 -13.812 1.00 71.14 H new ATOM 1197 N TRP A 76 7.515 -12.214 -9.429 1.00 71.40 N ATOM 1198 CA TRP A 76 7.705 -11.161 -8.438 1.00 24.51 C ATOM 1199 C TRP A 76 9.114 -10.583 -8.522 1.00 34.11 C ATOM 1200 O TRP A 76 9.997 -11.161 -9.156 1.00 73.05 O ATOM 1201 CB TRP A 76 7.446 -11.704 -7.031 1.00 45.13 C ATOM 1202 CG TRP A 76 8.115 -13.020 -6.770 1.00 15.21 C ATOM 1203 CD1 TRP A 76 7.928 -14.185 -7.458 1.00 42.42 C ATOM 1204 CD2 TRP A 76 9.074 -13.305 -5.746 1.00 61.34 C ATOM 1205 NE1 TRP A 76 8.714 -15.177 -6.924 1.00 62.11 N ATOM 1206 CE2 TRP A 76 9.427 -14.663 -5.874 1.00 23.13 C ATOM 1207 CE3 TRP A 76 9.671 -12.546 -4.736 1.00 71.14 C ATOM 1208 CZ2 TRP A 76 10.349 -15.275 -5.028 1.00 12.52 C ATOM 1209 CZ3 TRP A 76 10.585 -13.155 -3.898 1.00 10.55 C ATOM 1210 CH2 TRP A 76 10.917 -14.507 -4.048 1.00 25.44 C ATOM 0 H TRP A 76 8.345 -12.780 -9.607 1.00 71.40 H new ATOM 0 HA TRP A 76 6.992 -10.364 -8.649 1.00 24.51 H new ATOM 0 HB2 TRP A 76 7.794 -10.976 -6.298 1.00 45.13 H new ATOM 0 HB3 TRP A 76 6.372 -11.815 -6.884 1.00 45.13 H new ATOM 0 HD1 TRP A 76 7.261 -14.308 -8.298 1.00 42.42 H new ATOM 0 HE1 TRP A 76 8.759 -16.140 -7.256 1.00 62.11 H new ATOM 0 HE3 TRP A 76 9.422 -11.502 -4.613 1.00 71.14 H new ATOM 0 HZ2 TRP A 76 10.606 -16.318 -5.141 1.00 12.52 H new ATOM 0 HZ3 TRP A 76 11.052 -12.578 -3.113 1.00 10.55 H new ATOM 0 HH2 TRP A 76 11.636 -14.953 -3.377 1.00 25.44 H new ATOM 1221 N THR A 77 9.318 -9.438 -7.878 1.00 21.34 N ATOM 1222 CA THR A 77 10.619 -8.781 -7.881 1.00 21.55 C ATOM 1223 C THR A 77 10.982 -8.273 -6.490 1.00 33.42 C ATOM 1224 O THR A 77 10.119 -8.141 -5.622 1.00 14.42 O ATOM 1225 CB THR A 77 10.650 -7.601 -8.870 1.00 64.40 C ATOM 1226 OG1 THR A 77 9.428 -6.860 -8.788 1.00 31.34 O ATOM 1227 CG2 THR A 77 10.855 -8.095 -10.294 1.00 42.24 C ATOM 0 H THR A 77 8.599 -8.947 -7.348 1.00 21.34 H new ATOM 0 HA THR A 77 11.349 -9.527 -8.194 1.00 21.55 H new ATOM 0 HB THR A 77 11.485 -6.953 -8.603 1.00 64.40 H new ATOM 0 HG1 THR A 77 9.457 -6.111 -9.419 1.00 31.34 H new ATOM 0 HG21 THR A 77 10.874 -7.244 -10.975 1.00 42.24 H new ATOM 0 HG22 THR A 77 11.801 -8.633 -10.360 1.00 42.24 H new ATOM 0 HG23 THR A 77 10.038 -8.762 -10.569 1.00 42.24 H new ATOM 1235 N PHE A 78 12.264 -7.990 -6.284 1.00 54.11 N ATOM 1236 CA PHE A 78 12.740 -7.496 -4.997 1.00 65.25 C ATOM 1237 C PHE A 78 13.556 -6.218 -5.174 1.00 34.34 C ATOM 1238 O PHE A 78 14.300 -6.072 -6.143 1.00 23.00 O ATOM 1239 CB PHE A 78 13.587 -8.563 -4.300 1.00 44.31 C ATOM 1240 CG PHE A 78 13.032 -8.996 -2.973 1.00 63.15 C ATOM 1241 CD1 PHE A 78 12.112 -10.029 -2.897 1.00 13.11 C ATOM 1242 CD2 PHE A 78 13.431 -8.371 -1.803 1.00 63.21 C ATOM 1243 CE1 PHE A 78 11.599 -10.429 -1.678 1.00 13.15 C ATOM 1244 CE2 PHE A 78 12.922 -8.767 -0.581 1.00 21.34 C ATOM 1245 CZ PHE A 78 12.005 -9.798 -0.518 1.00 23.31 C ATOM 0 H PHE A 78 12.992 -8.094 -6.991 1.00 54.11 H new ATOM 0 HA PHE A 78 11.872 -7.269 -4.378 1.00 65.25 H new ATOM 0 HB2 PHE A 78 13.670 -9.433 -4.952 1.00 44.31 H new ATOM 0 HB3 PHE A 78 14.596 -8.177 -4.154 1.00 44.31 H new ATOM 0 HD1 PHE A 78 11.792 -10.527 -3.800 1.00 13.11 H new ATOM 0 HD2 PHE A 78 14.148 -7.565 -1.846 1.00 63.21 H new ATOM 0 HE1 PHE A 78 10.881 -11.234 -1.632 1.00 13.15 H new ATOM 0 HE2 PHE A 78 13.241 -8.271 0.324 1.00 21.34 H new ATOM 0 HZ PHE A 78 11.606 -10.110 0.436 1.00 23.31 H new ATOM 1255 N VAL A 79 13.408 -5.295 -4.229 1.00 5.31 N ATOM 1256 CA VAL A 79 14.131 -4.029 -4.278 1.00 75.01 C ATOM 1257 C VAL A 79 14.564 -3.589 -2.884 1.00 53.13 C ATOM 1258 O VAL A 79 14.243 -4.239 -1.889 1.00 74.53 O ATOM 1259 CB VAL A 79 13.273 -2.918 -4.912 1.00 12.20 C ATOM 1260 CG1 VAL A 79 13.287 -3.031 -6.429 1.00 21.53 C ATOM 1261 CG2 VAL A 79 11.849 -2.974 -4.378 1.00 63.23 C ATOM 0 H VAL A 79 12.795 -5.400 -3.421 1.00 5.31 H new ATOM 0 HA VAL A 79 15.015 -4.192 -4.895 1.00 75.01 H new ATOM 0 HB VAL A 79 13.701 -1.953 -4.640 1.00 12.20 H new ATOM 0 HG11 VAL A 79 12.675 -2.238 -6.859 1.00 21.53 H new ATOM 0 HG12 VAL A 79 14.311 -2.937 -6.791 1.00 21.53 H new ATOM 0 HG13 VAL A 79 12.885 -4.000 -6.725 1.00 21.53 H new ATOM 0 HG21 VAL A 79 11.257 -2.182 -4.837 1.00 63.23 H new ATOM 0 HG22 VAL A 79 11.408 -3.942 -4.618 1.00 63.23 H new ATOM 0 HG23 VAL A 79 11.860 -2.838 -3.297 1.00 63.23 H new ATOM 1271 N ILE A 80 15.294 -2.481 -2.820 1.00 51.31 N ATOM 1272 CA ILE A 80 15.770 -1.953 -1.548 1.00 13.45 C ATOM 1273 C ILE A 80 15.925 -0.437 -1.605 1.00 14.32 C ATOM 1274 O ILE A 80 16.927 0.078 -2.101 1.00 11.11 O ATOM 1275 CB ILE A 80 17.118 -2.580 -1.146 1.00 73.33 C ATOM 1276 CG1 ILE A 80 16.974 -4.096 -0.995 1.00 64.14 C ATOM 1277 CG2 ILE A 80 17.627 -1.960 0.146 1.00 41.31 C ATOM 1278 CD1 ILE A 80 18.268 -4.792 -0.633 1.00 34.21 C ATOM 0 H ILE A 80 15.569 -1.932 -3.634 1.00 51.31 H new ATOM 0 HA ILE A 80 15.021 -2.212 -0.800 1.00 13.45 H new ATOM 0 HB ILE A 80 17.845 -2.379 -1.933 1.00 73.33 H new ATOM 0 HG12 ILE A 80 16.230 -4.308 -0.227 1.00 64.14 H new ATOM 0 HG13 ILE A 80 16.596 -4.512 -1.929 1.00 64.14 H new ATOM 0 HG21 ILE A 80 18.580 -2.414 0.416 1.00 41.31 H new ATOM 0 HG22 ILE A 80 17.762 -0.887 0.006 1.00 41.31 H new ATOM 0 HG23 ILE A 80 16.904 -2.134 0.943 1.00 41.31 H new ATOM 0 HD11 ILE A 80 18.092 -5.864 -0.542 1.00 34.21 H new ATOM 0 HD12 ILE A 80 19.009 -4.611 -1.412 1.00 34.21 H new ATOM 0 HD13 ILE A 80 18.637 -4.403 0.316 1.00 34.21 H new ATOM 1290 N LYS A 81 14.926 0.274 -1.092 1.00 40.31 N ATOM 1291 CA LYS A 81 14.951 1.732 -1.081 1.00 51.11 C ATOM 1292 C LYS A 81 14.932 2.266 0.348 1.00 64.23 C ATOM 1293 O LYS A 81 14.244 1.725 1.213 1.00 11.15 O ATOM 1294 CB LYS A 81 13.757 2.289 -1.860 1.00 63.03 C ATOM 1295 CG LYS A 81 13.558 3.784 -1.681 1.00 32.00 C ATOM 1296 CD LYS A 81 12.157 4.104 -1.187 1.00 1.42 C ATOM 1297 CE LYS A 81 11.998 5.587 -0.885 1.00 22.55 C ATOM 1298 NZ LYS A 81 11.036 6.242 -1.813 1.00 63.04 N ATOM 0 H LYS A 81 14.089 -0.136 -0.678 1.00 40.31 H new ATOM 0 HA LYS A 81 15.874 2.058 -1.560 1.00 51.11 H new ATOM 0 HB2 LYS A 81 13.893 2.073 -2.920 1.00 63.03 H new ATOM 0 HB3 LYS A 81 12.853 1.770 -1.542 1.00 63.03 H new ATOM 0 HG2 LYS A 81 14.291 4.167 -0.972 1.00 32.00 H new ATOM 0 HG3 LYS A 81 13.736 4.292 -2.629 1.00 32.00 H new ATOM 0 HD2 LYS A 81 11.427 3.804 -1.939 1.00 1.42 H new ATOM 0 HD3 LYS A 81 11.945 3.524 -0.289 1.00 1.42 H new ATOM 0 HE2 LYS A 81 11.655 5.714 0.142 1.00 22.55 H new ATOM 0 HE3 LYS A 81 12.968 6.079 -0.961 1.00 22.55 H new ATOM 0 HZ1 LYS A 81 10.956 7.251 -1.574 1.00 63.04 H new ATOM 0 HZ2 LYS A 81 11.375 6.143 -2.791 1.00 63.04 H new ATOM 0 HZ3 LYS A 81 10.104 5.790 -1.723 1.00 63.04 H new ATOM 1312 N ASP A 82 15.691 3.330 0.587 1.00 62.42 N ATOM 1313 CA ASP A 82 15.760 3.938 1.910 1.00 13.04 C ATOM 1314 C ASP A 82 15.937 2.874 2.989 1.00 30.01 C ATOM 1315 O ASP A 82 15.387 2.988 4.084 1.00 64.21 O ATOM 1316 CB ASP A 82 14.497 4.755 2.185 1.00 15.34 C ATOM 1317 CG ASP A 82 14.796 6.223 2.419 1.00 20.03 C ATOM 1318 OD1 ASP A 82 15.741 6.743 1.790 1.00 22.35 O ATOM 1319 OD2 ASP A 82 14.086 6.852 3.232 1.00 32.30 O ATOM 0 H ASP A 82 16.267 3.789 -0.119 1.00 62.42 H new ATOM 0 HA ASP A 82 16.625 4.601 1.933 1.00 13.04 H new ATOM 0 HB2 ASP A 82 13.813 4.656 1.342 1.00 15.34 H new ATOM 0 HB3 ASP A 82 13.987 4.347 3.058 1.00 15.34 H new ATOM 1324 N GLY A 83 16.708 1.838 2.671 1.00 51.41 N ATOM 1325 CA GLY A 83 16.943 0.768 3.623 1.00 52.33 C ATOM 1326 C GLY A 83 15.655 0.203 4.188 1.00 23.44 C ATOM 1327 O GLY A 83 15.604 -0.203 5.350 1.00 1.35 O ATOM 0 H GLY A 83 17.174 1.721 1.771 1.00 51.41 H new ATOM 0 HA2 GLY A 83 17.504 -0.030 3.137 1.00 52.33 H new ATOM 0 HA3 GLY A 83 17.562 1.141 4.439 1.00 52.33 H new ATOM 1331 N LEU A 84 14.612 0.176 3.367 1.00 74.10 N ATOM 1332 CA LEU A 84 13.316 -0.343 3.792 1.00 2.04 C ATOM 1333 C LEU A 84 13.108 -1.768 3.289 1.00 43.31 C ATOM 1334 O LEU A 84 12.837 -2.679 4.069 1.00 22.41 O ATOM 1335 CB LEU A 84 12.191 0.559 3.283 1.00 0.50 C ATOM 1336 CG LEU A 84 11.816 1.738 4.183 1.00 63.24 C ATOM 1337 CD1 LEU A 84 11.388 2.933 3.346 1.00 54.02 C ATOM 1338 CD2 LEU A 84 10.713 1.339 5.151 1.00 14.24 C ATOM 0 H LEU A 84 14.638 0.507 2.403 1.00 74.10 H new ATOM 0 HA LEU A 84 13.298 -0.356 4.882 1.00 2.04 H new ATOM 0 HB2 LEU A 84 12.479 0.950 2.307 1.00 0.50 H new ATOM 0 HB3 LEU A 84 11.302 -0.053 3.131 1.00 0.50 H new ATOM 0 HG LEU A 84 12.694 2.023 4.762 1.00 63.24 H new ATOM 0 HD11 LEU A 84 11.125 3.762 4.003 1.00 54.02 H new ATOM 0 HD12 LEU A 84 12.208 3.233 2.694 1.00 54.02 H new ATOM 0 HD13 LEU A 84 10.523 2.662 2.740 1.00 54.02 H new ATOM 0 HD21 LEU A 84 10.459 2.190 5.783 1.00 14.24 H new ATOM 0 HD22 LEU A 84 9.832 1.028 4.590 1.00 14.24 H new ATOM 0 HD23 LEU A 84 11.057 0.513 5.774 1.00 14.24 H new ATOM 1350 N GLY A 85 13.239 -1.952 1.979 1.00 64.14 N ATOM 1351 CA GLY A 85 13.065 -3.269 1.394 1.00 54.44 C ATOM 1352 C GLY A 85 11.630 -3.535 0.983 1.00 40.32 C ATOM 1353 O GLY A 85 10.733 -3.571 1.825 1.00 75.51 O ATOM 0 H GLY A 85 13.462 -1.213 1.312 1.00 64.14 H new ATOM 0 HA2 GLY A 85 13.713 -3.365 0.523 1.00 54.44 H new ATOM 0 HA3 GLY A 85 13.381 -4.027 2.111 1.00 54.44 H new ATOM 1357 N TYR A 86 11.412 -3.719 -0.314 1.00 64.25 N ATOM 1358 CA TYR A 86 10.076 -3.979 -0.836 1.00 13.01 C ATOM 1359 C TYR A 86 10.089 -5.156 -1.807 1.00 40.50 C ATOM 1360 O TYR A 86 11.116 -5.809 -1.994 1.00 15.00 O ATOM 1361 CB TYR A 86 9.527 -2.733 -1.534 1.00 33.53 C ATOM 1362 CG TYR A 86 9.330 -1.557 -0.605 1.00 53.52 C ATOM 1363 CD1 TYR A 86 8.177 -1.437 0.162 1.00 45.52 C ATOM 1364 CD2 TYR A 86 10.297 -0.565 -0.494 1.00 54.23 C ATOM 1365 CE1 TYR A 86 7.993 -0.362 1.011 1.00 61.53 C ATOM 1366 CE2 TYR A 86 10.121 0.512 0.353 1.00 4.12 C ATOM 1367 CZ TYR A 86 8.968 0.609 1.103 1.00 11.01 C ATOM 1368 OH TYR A 86 8.789 1.680 1.949 1.00 74.33 O ATOM 0 H TYR A 86 12.144 -3.693 -1.024 1.00 64.25 H new ATOM 0 HA TYR A 86 9.429 -4.232 0.004 1.00 13.01 H new ATOM 0 HB2 TYR A 86 10.210 -2.444 -2.333 1.00 33.53 H new ATOM 0 HB3 TYR A 86 8.574 -2.979 -2.002 1.00 33.53 H new ATOM 0 HD1 TYR A 86 7.412 -2.196 0.093 1.00 45.52 H new ATOM 0 HD2 TYR A 86 11.201 -0.637 -1.080 1.00 54.23 H new ATOM 0 HE1 TYR A 86 7.091 -0.283 1.599 1.00 61.53 H new ATOM 0 HE2 TYR A 86 10.883 1.274 0.427 1.00 4.12 H new ATOM 0 HH TYR A 86 8.949 2.514 1.460 1.00 74.33 H new ATOM 1378 N ARG A 87 8.941 -5.419 -2.423 1.00 42.30 N ATOM 1379 CA ARG A 87 8.819 -6.516 -3.375 1.00 21.31 C ATOM 1380 C ARG A 87 7.418 -6.560 -3.977 1.00 73.31 C ATOM 1381 O ARG A 87 6.424 -6.383 -3.273 1.00 41.51 O ATOM 1382 CB ARG A 87 9.135 -7.849 -2.693 1.00 14.44 C ATOM 1383 CG ARG A 87 8.812 -9.063 -3.548 1.00 51.45 C ATOM 1384 CD ARG A 87 8.012 -10.096 -2.770 1.00 43.05 C ATOM 1385 NE ARG A 87 6.659 -9.632 -2.475 1.00 62.35 N ATOM 1386 CZ ARG A 87 5.916 -10.115 -1.486 1.00 23.31 C ATOM 1387 NH1 ARG A 87 6.393 -11.071 -0.700 1.00 50.11 N ATOM 1388 NH2 ARG A 87 4.694 -9.642 -1.280 1.00 52.13 N ATOM 0 H ARG A 87 8.082 -4.887 -2.280 1.00 42.30 H new ATOM 0 HA ARG A 87 9.536 -6.348 -4.179 1.00 21.31 H new ATOM 0 HB2 ARG A 87 10.193 -7.871 -2.431 1.00 14.44 H new ATOM 0 HB3 ARG A 87 8.574 -7.912 -1.761 1.00 14.44 H new ATOM 0 HG2 ARG A 87 8.248 -8.751 -4.427 1.00 51.45 H new ATOM 0 HG3 ARG A 87 9.738 -9.513 -3.907 1.00 51.45 H new ATOM 0 HD2 ARG A 87 7.961 -11.022 -3.343 1.00 43.05 H new ATOM 0 HD3 ARG A 87 8.527 -10.327 -1.838 1.00 43.05 H new ATOM 0 HE ARG A 87 6.263 -8.897 -3.061 1.00 62.35 H new ATOM 0 HH11 ARG A 87 7.333 -11.437 -0.855 1.00 50.11 H new ATOM 0 HH12 ARG A 87 5.820 -11.440 0.059 1.00 50.11 H new ATOM 0 HH21 ARG A 87 4.324 -8.906 -1.882 1.00 52.13 H new ATOM 0 HH22 ARG A 87 4.125 -10.014 -0.520 1.00 52.13 H new ATOM 1402 N GLN A 88 7.348 -6.798 -5.283 1.00 14.40 N ATOM 1403 CA GLN A 88 6.068 -6.863 -5.979 1.00 63.43 C ATOM 1404 C GLN A 88 5.427 -8.237 -5.810 1.00 54.44 C ATOM 1405 O GLN A 88 6.115 -9.230 -5.576 1.00 43.11 O ATOM 1406 CB GLN A 88 6.256 -6.554 -7.466 1.00 21.54 C ATOM 1407 CG GLN A 88 5.056 -5.873 -8.102 1.00 15.32 C ATOM 1408 CD GLN A 88 5.076 -4.368 -7.922 1.00 11.43 C ATOM 1409 OE1 GLN A 88 5.564 -3.858 -6.912 1.00 73.14 O ATOM 1410 NE2 GLN A 88 4.545 -3.647 -8.902 1.00 52.42 N ATOM 0 H GLN A 88 8.161 -6.949 -5.880 1.00 14.40 H new ATOM 0 HA GLN A 88 5.406 -6.116 -5.541 1.00 63.43 H new ATOM 0 HB2 GLN A 88 7.132 -5.917 -7.588 1.00 21.54 H new ATOM 0 HB3 GLN A 88 6.461 -7.483 -7.999 1.00 21.54 H new ATOM 0 HG2 GLN A 88 5.032 -6.108 -9.166 1.00 15.32 H new ATOM 0 HG3 GLN A 88 4.141 -6.275 -7.666 1.00 15.32 H new ATOM 0 HE21 GLN A 88 4.152 -4.111 -9.721 1.00 52.42 H new ATOM 0 HE22 GLN A 88 4.530 -2.629 -8.836 1.00 52.42 H new ATOM 1419 N ASP A 89 4.104 -8.285 -5.930 1.00 65.04 N ATOM 1420 CA ASP A 89 3.369 -9.537 -5.792 1.00 5.13 C ATOM 1421 C ASP A 89 2.245 -9.624 -6.819 1.00 42.31 C ATOM 1422 O ASP A 89 2.197 -8.842 -7.768 1.00 33.11 O ATOM 1423 CB ASP A 89 2.797 -9.663 -4.379 1.00 60.10 C ATOM 1424 CG ASP A 89 1.338 -9.259 -4.307 1.00 53.34 C ATOM 1425 OD1 ASP A 89 1.056 -8.043 -4.356 1.00 62.20 O ATOM 1426 OD2 ASP A 89 0.477 -10.158 -4.202 1.00 10.31 O ATOM 0 H ASP A 89 3.519 -7.472 -6.122 1.00 65.04 H new ATOM 0 HA ASP A 89 4.063 -10.359 -5.970 1.00 5.13 H new ATOM 0 HB2 ASP A 89 2.903 -10.693 -4.038 1.00 60.10 H new ATOM 0 HB3 ASP A 89 3.377 -9.040 -3.698 1.00 60.10 H new ATOM 1431 N ASN A 90 1.344 -10.580 -6.623 1.00 72.40 N ATOM 1432 CA ASN A 90 0.221 -10.771 -7.534 1.00 14.44 C ATOM 1433 C ASN A 90 0.636 -11.603 -8.743 1.00 53.10 C ATOM 1434 O ASN A 90 -0.124 -12.445 -9.220 1.00 64.04 O ATOM 1435 CB ASN A 90 -0.324 -9.417 -7.995 1.00 20.14 C ATOM 1436 CG ASN A 90 -1.838 -9.404 -8.086 1.00 3.41 C ATOM 1437 OD1 ASN A 90 -2.406 -9.487 -9.175 1.00 3.20 O ATOM 1438 ND2 ASN A 90 -2.499 -9.298 -6.939 1.00 25.11 N ATOM 0 H ASN A 90 1.369 -11.235 -5.841 1.00 72.40 H new ATOM 0 HA ASN A 90 -0.562 -11.308 -6.998 1.00 14.44 H new ATOM 0 HB2 ASN A 90 0.002 -8.642 -7.302 1.00 20.14 H new ATOM 0 HB3 ASN A 90 0.098 -9.171 -8.969 1.00 20.14 H new ATOM 0 HD21 ASN A 90 -3.519 -9.283 -6.938 1.00 25.11 H new ATOM 0 HD22 ASN A 90 -1.987 -9.232 -6.059 1.00 25.11 H new ATOM 1445 N GLY A 91 1.848 -11.361 -9.234 1.00 15.33 N ATOM 1446 CA GLY A 91 2.343 -12.096 -10.383 1.00 2.24 C ATOM 1447 C GLY A 91 1.323 -12.181 -11.501 1.00 0.05 C ATOM 1448 O GLY A 91 0.634 -13.190 -11.644 1.00 70.23 O ATOM 0 H GLY A 91 2.495 -10.669 -8.856 1.00 15.33 H new ATOM 0 HA2 GLY A 91 3.247 -11.615 -10.756 1.00 2.24 H new ATOM 0 HA3 GLY A 91 2.623 -13.103 -10.073 1.00 2.24 H new ATOM 1452 N GLU A 92 1.225 -11.118 -12.293 1.00 24.01 N ATOM 1453 CA GLU A 92 0.279 -11.077 -13.402 1.00 25.11 C ATOM 1454 C GLU A 92 0.508 -9.841 -14.267 1.00 4.11 C ATOM 1455 O GLU A 92 0.314 -8.712 -13.817 1.00 41.55 O ATOM 1456 CB GLU A 92 -1.157 -11.086 -12.876 1.00 75.22 C ATOM 1457 CG GLU A 92 -2.206 -11.178 -13.972 1.00 61.52 C ATOM 1458 CD GLU A 92 -3.605 -10.887 -13.467 1.00 15.14 C ATOM 1459 OE1 GLU A 92 -3.794 -9.842 -12.809 1.00 23.41 O ATOM 1460 OE2 GLU A 92 -4.513 -11.704 -13.730 1.00 3.14 O ATOM 0 H GLU A 92 1.789 -10.274 -12.187 1.00 24.01 H new ATOM 0 HA GLU A 92 0.439 -11.963 -14.016 1.00 25.11 H new ATOM 0 HB2 GLU A 92 -1.280 -11.928 -12.195 1.00 75.22 H new ATOM 0 HB3 GLU A 92 -1.328 -10.179 -12.296 1.00 75.22 H new ATOM 0 HG2 GLU A 92 -1.958 -10.475 -14.767 1.00 61.52 H new ATOM 0 HG3 GLU A 92 -2.182 -12.176 -14.410 1.00 61.52 H new ATOM 1467 N TRP A 93 0.923 -10.064 -15.509 1.00 33.03 N ATOM 1468 CA TRP A 93 1.179 -8.969 -16.437 1.00 50.31 C ATOM 1469 C TRP A 93 1.034 -9.434 -17.882 1.00 33.23 C ATOM 1470 O TRP A 93 1.825 -10.244 -18.367 1.00 12.32 O ATOM 1471 CB TRP A 93 2.580 -8.398 -16.211 1.00 31.14 C ATOM 1472 CG TRP A 93 2.725 -7.680 -14.903 1.00 33.32 C ATOM 1473 CD1 TRP A 93 2.342 -6.399 -14.624 1.00 71.33 C ATOM 1474 CD2 TRP A 93 3.294 -8.202 -13.697 1.00 62.14 C ATOM 1475 NE1 TRP A 93 2.639 -6.093 -13.318 1.00 62.32 N ATOM 1476 CE2 TRP A 93 3.223 -7.183 -12.728 1.00 1.32 C ATOM 1477 CE3 TRP A 93 3.855 -9.432 -13.342 1.00 2.41 C ATOM 1478 CZ2 TRP A 93 3.693 -7.357 -11.429 1.00 24.10 C ATOM 1479 CZ3 TRP A 93 4.322 -9.603 -12.053 1.00 12.15 C ATOM 1480 CH2 TRP A 93 4.238 -8.571 -11.108 1.00 50.15 C ATOM 0 H TRP A 93 1.089 -10.993 -15.896 1.00 33.03 H new ATOM 0 HA TRP A 93 0.441 -8.189 -16.250 1.00 50.31 H new ATOM 0 HB2 TRP A 93 3.307 -9.209 -16.254 1.00 31.14 H new ATOM 0 HB3 TRP A 93 2.820 -7.711 -17.023 1.00 31.14 H new ATOM 0 HD1 TRP A 93 1.874 -5.725 -15.327 1.00 71.33 H new ATOM 0 HE1 TRP A 93 2.455 -5.200 -12.862 1.00 62.32 H new ATOM 0 HE3 TRP A 93 3.922 -10.234 -14.062 1.00 2.41 H new ATOM 0 HZ2 TRP A 93 3.630 -6.562 -10.700 1.00 24.10 H new ATOM 0 HZ3 TRP A 93 4.760 -10.549 -11.768 1.00 12.15 H new ATOM 0 HH2 TRP A 93 4.610 -8.737 -10.108 1.00 50.15 H new ATOM 1491 N THR A 94 0.018 -8.918 -18.566 1.00 54.22 N ATOM 1492 CA THR A 94 -0.232 -9.282 -19.955 1.00 45.43 C ATOM 1493 C THR A 94 0.600 -8.427 -20.905 1.00 50.01 C ATOM 1494 O THR A 94 0.656 -7.205 -20.769 1.00 12.30 O ATOM 1495 CB THR A 94 -1.721 -9.130 -20.317 1.00 71.13 C ATOM 1496 OG1 THR A 94 -2.528 -9.868 -19.392 1.00 5.40 O ATOM 1497 CG2 THR A 94 -1.987 -9.621 -21.732 1.00 43.35 C ATOM 0 H THR A 94 -0.646 -8.246 -18.180 1.00 54.22 H new ATOM 0 HA THR A 94 0.055 -10.328 -20.064 1.00 45.43 H new ATOM 0 HB THR A 94 -1.979 -8.072 -20.261 1.00 71.13 H new ATOM 0 HG1 THR A 94 -3.474 -9.765 -19.628 1.00 5.40 H new ATOM 0 HG21 THR A 94 -3.045 -9.504 -21.965 1.00 43.35 H new ATOM 0 HG22 THR A 94 -1.394 -9.039 -22.437 1.00 43.35 H new ATOM 0 HG23 THR A 94 -1.713 -10.673 -21.810 1.00 43.35 H new ATOM 1505 N VAL A 95 1.245 -9.078 -21.868 1.00 50.43 N ATOM 1506 CA VAL A 95 2.073 -8.377 -22.843 1.00 14.54 C ATOM 1507 C VAL A 95 1.234 -7.435 -23.700 1.00 2.35 C ATOM 1508 O VAL A 95 0.341 -7.870 -24.425 1.00 32.31 O ATOM 1509 CB VAL A 95 2.816 -9.364 -23.761 1.00 61.15 C ATOM 1510 CG1 VAL A 95 3.776 -8.621 -24.678 1.00 71.34 C ATOM 1511 CG2 VAL A 95 3.554 -10.407 -22.936 1.00 20.12 C ATOM 0 H VAL A 95 1.210 -10.090 -21.994 1.00 50.43 H new ATOM 0 HA VAL A 95 2.804 -7.797 -22.279 1.00 14.54 H new ATOM 0 HB VAL A 95 2.082 -9.878 -24.382 1.00 61.15 H new ATOM 0 HG11 VAL A 95 4.292 -9.335 -25.320 1.00 71.34 H new ATOM 0 HG12 VAL A 95 3.218 -7.916 -25.295 1.00 71.34 H new ATOM 0 HG13 VAL A 95 4.506 -8.079 -24.078 1.00 71.34 H new ATOM 0 HG21 VAL A 95 4.074 -11.096 -23.602 1.00 20.12 H new ATOM 0 HG22 VAL A 95 4.278 -9.913 -22.288 1.00 20.12 H new ATOM 0 HG23 VAL A 95 2.840 -10.960 -22.326 1.00 20.12 H new ATOM 1521 N GLU A 96 1.529 -6.142 -23.610 1.00 45.44 N ATOM 1522 CA GLU A 96 0.802 -5.138 -24.378 1.00 52.12 C ATOM 1523 C GLU A 96 1.760 -4.117 -24.985 1.00 11.23 C ATOM 1524 O GLU A 96 1.343 -3.053 -25.441 1.00 62.13 O ATOM 1525 CB GLU A 96 -0.222 -4.428 -23.490 1.00 73.12 C ATOM 1526 CG GLU A 96 -1.377 -5.318 -23.062 1.00 10.13 C ATOM 1527 CD GLU A 96 -2.717 -4.817 -23.564 1.00 12.21 C ATOM 1528 OE1 GLU A 96 -3.008 -5.003 -24.764 1.00 63.32 O ATOM 1529 OE2 GLU A 96 -3.475 -4.238 -22.758 1.00 21.25 O ATOM 0 H GLU A 96 2.266 -5.765 -23.013 1.00 45.44 H new ATOM 0 HA GLU A 96 0.280 -5.646 -25.189 1.00 52.12 H new ATOM 0 HB2 GLU A 96 0.282 -4.048 -22.601 1.00 73.12 H new ATOM 0 HB3 GLU A 96 -0.618 -3.565 -24.025 1.00 73.12 H new ATOM 0 HG2 GLU A 96 -1.209 -6.329 -23.434 1.00 10.13 H new ATOM 0 HG3 GLU A 96 -1.400 -5.378 -21.974 1.00 10.13 H new ATOM 1536 N GLY A 97 3.047 -4.449 -24.985 1.00 4.12 N ATOM 1537 CA GLY A 97 4.045 -3.551 -25.536 1.00 62.04 C ATOM 1538 C GLY A 97 4.893 -4.212 -26.605 1.00 21.53 C ATOM 1539 O GLY A 97 4.677 -5.375 -26.948 1.00 12.02 O ATOM 0 H GLY A 97 3.417 -5.324 -24.613 1.00 4.12 H new ATOM 0 HA2 GLY A 97 3.549 -2.677 -25.959 1.00 62.04 H new ATOM 0 HA3 GLY A 97 4.691 -3.194 -24.734 1.00 62.04 H new ATOM 1543 N PHE A 98 5.860 -3.470 -27.134 1.00 23.53 N ATOM 1544 CA PHE A 98 6.742 -3.991 -28.172 1.00 23.13 C ATOM 1545 C PHE A 98 8.079 -3.255 -28.169 1.00 51.13 C ATOM 1546 O PHE A 98 8.157 -2.087 -27.787 1.00 73.31 O ATOM 1547 CB PHE A 98 6.080 -3.864 -29.545 1.00 14.21 C ATOM 1548 CG PHE A 98 5.564 -5.167 -30.085 1.00 20.11 C ATOM 1549 CD1 PHE A 98 6.367 -6.296 -30.090 1.00 31.32 C ATOM 1550 CD2 PHE A 98 4.277 -5.263 -30.588 1.00 54.21 C ATOM 1551 CE1 PHE A 98 5.895 -7.497 -30.586 1.00 24.34 C ATOM 1552 CE2 PHE A 98 3.800 -6.461 -31.085 1.00 34.13 C ATOM 1553 CZ PHE A 98 4.610 -7.579 -31.085 1.00 23.43 C ATOM 0 H PHE A 98 6.053 -2.506 -26.861 1.00 23.53 H new ATOM 0 HA PHE A 98 6.927 -5.045 -27.962 1.00 23.13 H new ATOM 0 HB2 PHE A 98 5.254 -3.156 -29.477 1.00 14.21 H new ATOM 0 HB3 PHE A 98 6.800 -3.448 -30.249 1.00 14.21 H new ATOM 0 HD1 PHE A 98 7.373 -6.237 -29.702 1.00 31.32 H new ATOM 0 HD2 PHE A 98 3.639 -4.392 -30.592 1.00 54.21 H new ATOM 0 HE1 PHE A 98 6.531 -8.370 -30.583 1.00 24.34 H new ATOM 0 HE2 PHE A 98 2.794 -6.523 -31.473 1.00 34.13 H new ATOM 0 HZ PHE A 98 4.239 -8.516 -31.474 1.00 23.43 H new ATOM 1563 N VAL A 99 9.130 -3.947 -28.599 1.00 14.15 N ATOM 1564 CA VAL A 99 10.463 -3.360 -28.647 1.00 25.11 C ATOM 1565 C VAL A 99 11.417 -4.229 -29.459 1.00 61.20 C ATOM 1566 O VAL A 99 11.025 -5.267 -29.993 1.00 41.35 O ATOM 1567 CB VAL A 99 11.042 -3.165 -27.233 1.00 4.10 C ATOM 1568 CG1 VAL A 99 10.905 -1.715 -26.795 1.00 15.21 C ATOM 1569 CG2 VAL A 99 10.358 -4.097 -26.244 1.00 51.52 C ATOM 0 H VAL A 99 9.083 -4.914 -28.919 1.00 14.15 H new ATOM 0 HA VAL A 99 10.363 -2.387 -29.128 1.00 25.11 H new ATOM 0 HB VAL A 99 12.103 -3.413 -27.256 1.00 4.10 H new ATOM 0 HG11 VAL A 99 11.319 -1.597 -25.794 1.00 15.21 H new ATOM 0 HG12 VAL A 99 11.446 -1.072 -27.490 1.00 15.21 H new ATOM 0 HG13 VAL A 99 9.852 -1.435 -26.787 1.00 15.21 H new ATOM 0 HG21 VAL A 99 10.779 -3.946 -25.250 1.00 51.52 H new ATOM 0 HG22 VAL A 99 9.289 -3.883 -26.221 1.00 51.52 H new ATOM 0 HG23 VAL A 99 10.514 -5.131 -26.551 1.00 51.52 H new ATOM 1579 N ASP A 100 12.671 -3.799 -29.547 1.00 72.11 N ATOM 1580 CA ASP A 100 13.682 -4.539 -30.293 1.00 43.21 C ATOM 1581 C ASP A 100 15.053 -4.395 -29.639 1.00 60.13 C ATOM 1582 O ASP A 100 15.495 -3.286 -29.340 1.00 34.33 O ATOM 1583 CB ASP A 100 13.740 -4.048 -31.741 1.00 12.25 C ATOM 1584 CG ASP A 100 12.371 -4.001 -32.391 1.00 22.11 C ATOM 1585 OD1 ASP A 100 11.955 -5.025 -32.973 1.00 44.12 O ATOM 1586 OD2 ASP A 100 11.715 -2.941 -32.317 1.00 24.21 O ATOM 0 H ASP A 100 13.012 -2.942 -29.111 1.00 72.11 H new ATOM 0 HA ASP A 100 13.404 -5.593 -30.286 1.00 43.21 H new ATOM 0 HB2 ASP A 100 14.186 -3.054 -31.767 1.00 12.25 H new ATOM 0 HB3 ASP A 100 14.391 -4.704 -32.318 1.00 12.25 H new ATOM 1591 N GLU A 101 15.720 -5.524 -29.420 1.00 60.04 N ATOM 1592 CA GLU A 101 17.040 -5.523 -28.800 1.00 53.20 C ATOM 1593 C GLU A 101 18.127 -5.246 -29.834 1.00 52.44 C ATOM 1594 O GLU A 101 19.190 -5.866 -29.815 1.00 15.21 O ATOM 1595 CB GLU A 101 17.305 -6.863 -28.112 1.00 23.34 C ATOM 1596 CG GLU A 101 18.246 -6.761 -26.923 1.00 22.11 C ATOM 1597 CD GLU A 101 19.163 -7.963 -26.800 1.00 10.44 C ATOM 1598 OE1 GLU A 101 19.665 -8.434 -27.841 1.00 71.54 O ATOM 1599 OE2 GLU A 101 19.378 -8.431 -25.662 1.00 63.24 O ATOM 0 H GLU A 101 15.368 -6.450 -29.662 1.00 60.04 H new ATOM 0 HA GLU A 101 17.062 -4.729 -28.054 1.00 53.20 H new ATOM 0 HB2 GLU A 101 16.357 -7.285 -27.779 1.00 23.34 H new ATOM 0 HB3 GLU A 101 17.725 -7.558 -28.839 1.00 23.34 H new ATOM 0 HG2 GLU A 101 18.848 -5.857 -27.017 1.00 22.11 H new ATOM 0 HG3 GLU A 101 17.661 -6.660 -26.009 1.00 22.11 H new ATOM 1606 N ALA A 102 17.852 -4.310 -30.737 1.00 54.20 N ATOM 1607 CA ALA A 102 18.806 -3.949 -31.778 1.00 55.14 C ATOM 1608 C ALA A 102 18.854 -2.438 -31.979 1.00 73.00 C ATOM 1609 O ALA A 102 19.788 -1.912 -32.586 1.00 74.31 O ATOM 1610 CB ALA A 102 18.451 -4.646 -33.084 1.00 14.53 C ATOM 0 H ALA A 102 16.976 -3.788 -30.768 1.00 54.20 H new ATOM 0 HA ALA A 102 19.795 -4.278 -31.460 1.00 55.14 H new ATOM 0 HB1 ALA A 102 19.172 -4.367 -33.853 1.00 14.53 H new ATOM 0 HB2 ALA A 102 18.475 -5.726 -32.938 1.00 14.53 H new ATOM 0 HB3 ALA A 102 17.452 -4.344 -33.397 1.00 14.53 H new