USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 46 TYR OH : rot 30:sc= -0.531 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 67 TYR OH : rot 110:sc= 0.903 USER MOD Set 2.2: A 78 THR OG1 : rot -169:sc= -0.241 USER MOD Set 3.1: A 19 THR OG1 : rot 31:sc= 0.334 USER MOD Set 3.2: A 31 ASN : amide:sc= -2.81 K(o=-2.5,f=0.14) USER MOD Set 4.1: A 7 LYS NZ :NH3+ -160:sc= -6.6! (180deg=-7.53!) USER MOD Set 4.2: A 8 LYS NZ :NH3+ 179:sc= 0 (180deg=-8.47e-05) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -158:sc= -0.975! (180deg=-2.75!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -153:sc= 0.195 USER MOD Single : A 16 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.044) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.023) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.229) USER MOD Single : A 26 HIS : no HD1:sc= -8.69! C(o=-8.7!,f=-9.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -8.21! C(o=-8.2!,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 127:sc= 0.282 USER MOD Single : A 42 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.45) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.915 USER MOD Single : A 52 ASN : amide:sc= -5.91! C(o=-5.9!,f=-9.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.39) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -129:sc= -0.624 USER MOD Single : A 65 MET CE :methyl -140:sc= -0.228 (180deg=-1.69!) USER MOD Single : A 70 ASN : amide:sc= 0.00753 K(o=0.0075,f=-0.68) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.12) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -179:sc= 0 (180deg=-0.000513) USER MOD Single : A 86 LYS NZ :NH3+ 154:sc= -0.332 (180deg=-1.4!) USER MOD Single : A 87 LYS NZ :NH3+ 162:sc= -0.043 (180deg=-0.448) USER MOD Single : A 88 LYS NZ :NH3+ 152:sc= -1.12 (180deg=-2.58!) USER MOD Single : A 97 TYR OH : rot 180:sc= -0.815 USER MOD Single : A 99 LYS NZ :NH3+ -110:sc= -6.96! (180deg=-11.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 10:sc= 0.0643! USER MOD Single : A 103 ASN : amide:sc= -0.368 K(o=-0.37,f=-1.7!) USER MOD Single : A 500 HEC O2A : rot 130:sc= -1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.373 -0.238 -0.139 1.00 73.12 N ATOM 2 CA GLY A 1 1.568 -0.273 -1.578 1.00 23.12 C ATOM 3 C GLY A 1 1.746 -1.710 -2.073 1.00 15.10 C ATOM 4 O GLY A 1 2.825 -2.082 -2.534 1.00 23.01 O ATOM 0 H1 GLY A 1 1.255 0.748 0.171 1.00 73.12 H new ATOM 0 H2 GLY A 1 0.523 -0.784 0.110 1.00 73.12 H new ATOM 0 H3 GLY A 1 2.201 -0.653 0.334 1.00 73.12 H new ATOM 0 HA2 GLY A 1 0.712 0.183 -2.076 1.00 23.12 H new ATOM 0 HA3 GLY A 1 2.444 0.318 -1.844 1.00 23.12 H new ATOM 8 N ASP A 2 0.674 -2.479 -1.959 1.00 31.34 N ATOM 9 CA ASP A 2 0.698 -3.867 -2.389 1.00 62.51 C ATOM 10 C ASP A 2 1.246 -3.945 -3.816 1.00 14.32 C ATOM 11 O ASP A 2 0.499 -3.786 -4.780 1.00 25.10 O ATOM 12 CB ASP A 2 -0.708 -4.470 -2.389 1.00 74.02 C ATOM 13 CG ASP A 2 -1.358 -4.593 -1.009 1.00 73.22 C ATOM 14 OD1 ASP A 2 -2.217 -5.458 -0.783 1.00 54.32 O ATOM 15 OD2 ASP A 2 -0.943 -3.742 -0.132 1.00 63.02 O1- ATOM 0 H ASP A 2 -0.218 -2.167 -1.575 1.00 31.34 H new ATOM 0 HA ASP A 2 1.328 -4.423 -1.695 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -1.350 -3.858 -3.023 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -0.663 -5.460 -2.842 1.00 74.02 H new ATOM 21 N VAL A 3 2.545 -4.189 -3.905 1.00 32.11 N ATOM 22 CA VAL A 3 3.201 -4.290 -5.197 1.00 21.23 C ATOM 23 C VAL A 3 2.516 -5.377 -6.028 1.00 32.03 C ATOM 24 O VAL A 3 2.643 -5.401 -7.251 1.00 72.34 O ATOM 25 CB VAL A 3 4.698 -4.536 -5.007 1.00 43.02 C ATOM 26 CG1 VAL A 3 4.949 -5.876 -4.313 1.00 11.15 C ATOM 27 CG2 VAL A 3 5.441 -4.462 -6.342 1.00 25.11 C ATOM 0 H VAL A 3 3.161 -4.320 -3.103 1.00 32.11 H new ATOM 0 HA VAL A 3 3.108 -3.353 -5.747 1.00 21.23 H new ATOM 0 HB VAL A 3 5.088 -3.747 -4.364 1.00 43.02 H new ATOM 0 HG11 VAL A 3 6.021 -6.027 -4.190 1.00 11.15 H new ATOM 0 HG12 VAL A 3 4.468 -5.875 -3.335 1.00 11.15 H new ATOM 0 HG13 VAL A 3 4.536 -6.683 -4.919 1.00 11.15 H new ATOM 0 HG21 VAL A 3 6.504 -4.641 -6.177 1.00 25.11 H new ATOM 0 HG22 VAL A 3 5.047 -5.219 -7.020 1.00 25.11 H new ATOM 0 HG23 VAL A 3 5.303 -3.474 -6.781 1.00 25.11 H new ATOM 37 N GLU A 4 1.807 -6.252 -5.330 1.00 73.22 N ATOM 38 CA GLU A 4 1.103 -7.339 -5.988 1.00 63.21 C ATOM 39 C GLU A 4 -0.146 -6.811 -6.697 1.00 2.11 C ATOM 40 O GLU A 4 -0.316 -7.018 -7.897 1.00 24.52 O ATOM 41 CB GLU A 4 0.742 -8.441 -4.990 1.00 11.11 C ATOM 42 CG GLU A 4 1.987 -8.950 -4.259 1.00 4.20 C ATOM 43 CD GLU A 4 2.760 -9.949 -5.124 1.00 44.00 C ATOM 44 OE1 GLU A 4 3.202 -9.601 -6.229 1.00 12.45 O ATOM 45 OE2 GLU A 4 2.894 -11.124 -4.610 1.00 23.24 O1- ATOM 0 H GLU A 4 1.705 -6.230 -4.315 1.00 73.22 H new ATOM 0 HA GLU A 4 1.765 -7.774 -6.737 1.00 63.21 H new ATOM 0 HB2 GLU A 4 0.022 -8.059 -4.266 1.00 11.11 H new ATOM 0 HB3 GLU A 4 0.260 -9.267 -5.514 1.00 11.11 H new ATOM 0 HG2 GLU A 4 2.632 -8.109 -4.003 1.00 4.20 H new ATOM 0 HG3 GLU A 4 1.695 -9.424 -3.322 1.00 4.20 H new ATOM 53 N LYS A 5 -0.987 -6.140 -5.924 1.00 75.34 N ATOM 54 CA LYS A 5 -2.214 -5.581 -6.463 1.00 44.05 C ATOM 55 C LYS A 5 -1.875 -4.631 -7.614 1.00 71.23 C ATOM 56 O LYS A 5 -2.134 -4.940 -8.776 1.00 12.12 O ATOM 57 CB LYS A 5 -3.039 -4.929 -5.352 1.00 52.33 C ATOM 58 CG LYS A 5 -3.543 -5.977 -4.358 1.00 25.44 C ATOM 59 CD LYS A 5 -4.625 -6.857 -4.988 1.00 53.34 C ATOM 60 CE LYS A 5 -5.568 -7.415 -3.920 1.00 54.44 C ATOM 61 NZ LYS A 5 -6.334 -8.564 -4.455 1.00 55.34 N1+ ATOM 0 H LYS A 5 -0.842 -5.971 -4.929 1.00 75.34 H new ATOM 0 HA LYS A 5 -2.843 -6.370 -6.875 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -2.432 -4.189 -4.830 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -3.886 -4.398 -5.787 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -2.711 -6.599 -4.027 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -3.942 -5.481 -3.473 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -5.194 -6.276 -5.714 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -4.159 -7.679 -5.532 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -4.995 -7.727 -3.047 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -6.254 -6.635 -3.589 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -6.969 -8.931 -3.718 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -6.896 -8.256 -5.274 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -5.676 -9.313 -4.749 1.00 55.34 H new ATOM 74 N GLY A 6 -1.301 -3.494 -7.251 1.00 50.24 N ATOM 75 CA GLY A 6 -0.923 -2.497 -8.238 1.00 73.13 C ATOM 76 C GLY A 6 -0.333 -3.158 -9.487 1.00 54.42 C ATOM 77 O GLY A 6 -0.433 -2.615 -10.586 1.00 0.33 O ATOM 0 H GLY A 6 -1.088 -3.241 -6.286 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -1.795 -1.904 -8.514 1.00 73.13 H new ATOM 0 HA3 GLY A 6 -0.194 -1.811 -7.807 1.00 73.13 H new ATOM 81 N LYS A 7 0.268 -4.319 -9.275 1.00 72.11 N ATOM 82 CA LYS A 7 0.872 -5.060 -10.369 1.00 33.13 C ATOM 83 C LYS A 7 -0.229 -5.698 -11.218 1.00 72.23 C ATOM 84 O LYS A 7 -0.375 -5.376 -12.396 1.00 11.22 O ATOM 85 CB LYS A 7 1.897 -6.063 -9.836 1.00 21.32 C ATOM 86 CG LYS A 7 2.080 -7.230 -10.808 1.00 61.52 C ATOM 87 CD LYS A 7 3.224 -8.141 -10.361 1.00 32.11 C ATOM 88 CE LYS A 7 2.708 -9.280 -9.481 1.00 14.32 C ATOM 89 NZ LYS A 7 1.516 -8.846 -8.718 1.00 44.20 N1+ ATOM 0 H LYS A 7 0.350 -4.765 -8.361 1.00 72.11 H new ATOM 0 HA LYS A 7 1.428 -4.388 -11.022 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.853 -5.563 -9.679 1.00 21.32 H new ATOM 0 HB3 LYS A 7 1.572 -6.440 -8.867 1.00 21.32 H new ATOM 0 HG2 LYS A 7 1.156 -7.805 -10.870 1.00 61.52 H new ATOM 0 HG3 LYS A 7 2.285 -6.847 -11.808 1.00 61.52 H new ATOM 0 HD2 LYS A 7 3.728 -8.552 -11.235 1.00 32.11 H new ATOM 0 HD3 LYS A 7 3.963 -7.559 -9.811 1.00 32.11 H new ATOM 0 HE2 LYS A 7 2.457 -10.141 -10.100 1.00 14.32 H new ATOM 0 HE3 LYS A 7 3.491 -9.600 -8.793 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 1.380 -9.474 -7.900 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 1.653 -7.870 -8.386 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 0.677 -8.889 -9.331 1.00 44.20 H new ATOM 102 N LYS A 8 -0.975 -6.591 -10.586 1.00 14.31 N ATOM 103 CA LYS A 8 -2.060 -7.278 -11.268 1.00 71.23 C ATOM 104 C LYS A 8 -2.901 -6.256 -12.037 1.00 33.24 C ATOM 105 O LYS A 8 -3.466 -6.573 -13.082 1.00 33.30 O ATOM 106 CB LYS A 8 -2.867 -8.121 -10.279 1.00 4.10 C ATOM 107 CG LYS A 8 -2.084 -9.363 -9.851 1.00 33.13 C ATOM 108 CD LYS A 8 -3.000 -10.376 -9.160 1.00 22.11 C ATOM 109 CE LYS A 8 -2.378 -11.774 -9.173 1.00 14.34 C ATOM 110 NZ LYS A 8 -1.175 -11.815 -8.313 1.00 11.43 N1+ ATOM 0 H LYS A 8 -0.850 -6.855 -9.609 1.00 14.31 H new ATOM 0 HA LYS A 8 -1.665 -7.982 -12.001 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -3.114 -7.522 -9.402 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -3.810 -8.421 -10.736 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -1.619 -9.823 -10.723 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -1.279 -9.075 -9.175 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -3.182 -10.065 -8.131 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -3.967 -10.399 -9.662 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -3.107 -12.506 -8.824 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -2.112 -12.051 -10.193 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -0.776 -12.775 -8.320 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -0.468 -11.143 -8.673 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -1.435 -11.556 -7.340 1.00 11.43 H new ATOM 123 N ILE A 9 -2.958 -5.052 -11.487 1.00 15.44 N ATOM 124 CA ILE A 9 -3.719 -3.982 -12.108 1.00 60.11 C ATOM 125 C ILE A 9 -3.043 -3.572 -13.418 1.00 15.22 C ATOM 126 O ILE A 9 -3.523 -3.906 -14.499 1.00 74.43 O ATOM 127 CB ILE A 9 -3.914 -2.824 -11.128 1.00 1.54 C ATOM 128 CG1 ILE A 9 -4.486 -3.320 -9.798 1.00 64.24 C ATOM 129 CG2 ILE A 9 -4.775 -1.720 -11.746 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.146 -2.355 -8.661 1.00 25.42 C ATOM 0 H ILE A 9 -2.490 -4.794 -10.618 1.00 15.44 H new ATOM 0 HA ILE A 9 -4.721 -4.327 -12.362 1.00 60.11 H new ATOM 0 HB ILE A 9 -2.937 -2.389 -10.916 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -5.568 -3.424 -9.880 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.086 -4.309 -9.572 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -4.898 -0.909 -11.028 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.289 -1.339 -12.644 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -5.753 -2.124 -12.007 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.564 -2.731 -7.727 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.063 -2.272 -8.566 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.568 -1.374 -8.878 1.00 25.42 H new ATOM 142 N PHE A 10 -1.939 -2.854 -13.277 1.00 13.32 N ATOM 143 CA PHE A 10 -1.192 -2.395 -14.435 1.00 72.43 C ATOM 144 C PHE A 10 -0.948 -3.540 -15.420 1.00 75.11 C ATOM 145 O PHE A 10 -0.715 -3.306 -16.605 1.00 2.34 O ATOM 146 CB PHE A 10 0.156 -1.882 -13.924 1.00 70.22 C ATOM 147 CG PHE A 10 0.711 -0.696 -14.714 1.00 44.23 C ATOM 148 CD1 PHE A 10 1.382 -0.908 -15.878 1.00 11.20 C ATOM 149 CD2 PHE A 10 0.534 0.571 -14.252 1.00 42.21 C ATOM 150 CE1 PHE A 10 1.898 0.194 -16.610 1.00 43.23 C ATOM 151 CE2 PHE A 10 1.049 1.673 -14.985 1.00 53.34 C ATOM 152 CZ PHE A 10 1.720 1.460 -16.149 1.00 42.41 C ATOM 0 H PHE A 10 -1.544 -2.579 -12.378 1.00 13.32 H new ATOM 0 HA PHE A 10 -1.753 -1.618 -14.954 1.00 72.43 H new ATOM 0 HB2 PHE A 10 0.050 -1.591 -12.879 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.879 -2.697 -13.956 1.00 70.22 H new ATOM 0 HD1 PHE A 10 1.522 -1.914 -16.245 1.00 11.20 H new ATOM 0 HD2 PHE A 10 0.002 0.739 -13.327 1.00 42.21 H new ATOM 0 HE1 PHE A 10 2.432 0.026 -17.534 1.00 43.23 H new ATOM 0 HE2 PHE A 10 0.908 2.679 -14.619 1.00 53.34 H new ATOM 0 HZ PHE A 10 2.112 2.298 -16.707 1.00 42.41 H new ATOM 162 N ILE A 11 -1.011 -4.755 -14.893 1.00 62.12 N ATOM 163 CA ILE A 11 -0.800 -5.937 -15.710 1.00 45.21 C ATOM 164 C ILE A 11 -1.930 -6.050 -16.737 1.00 24.11 C ATOM 165 O ILE A 11 -1.689 -6.387 -17.895 1.00 4.32 O ATOM 166 CB ILE A 11 -0.644 -7.177 -14.828 1.00 64.23 C ATOM 167 CG1 ILE A 11 0.785 -7.294 -14.293 1.00 24.22 C ATOM 168 CG2 ILE A 11 -1.081 -8.439 -15.575 1.00 33.21 C ATOM 169 CD1 ILE A 11 0.935 -8.523 -13.394 1.00 43.25 C ATOM 0 H ILE A 11 -1.205 -4.945 -13.910 1.00 62.12 H new ATOM 0 HA ILE A 11 0.132 -5.853 -16.269 1.00 45.21 H new ATOM 0 HB ILE A 11 -1.302 -7.068 -13.966 1.00 64.23 H new ATOM 0 HG12 ILE A 11 1.485 -7.361 -15.126 1.00 24.22 H new ATOM 0 HG13 ILE A 11 1.042 -6.395 -13.732 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -0.960 -9.306 -14.926 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -2.128 -8.346 -15.865 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -0.467 -8.565 -16.467 1.00 33.21 H new ATOM 0 HD11 ILE A 11 1.960 -8.583 -13.027 1.00 43.25 H new ATOM 0 HD12 ILE A 11 0.251 -8.441 -12.549 1.00 43.25 H new ATOM 0 HD13 ILE A 11 0.701 -9.422 -13.964 1.00 43.25 H new ATOM 181 N MET A 12 -3.136 -5.762 -16.274 1.00 20.04 N ATOM 182 CA MET A 12 -4.304 -5.827 -17.137 1.00 73.11 C ATOM 183 C MET A 12 -5.137 -4.548 -17.031 1.00 2.53 C ATOM 184 O MET A 12 -6.358 -4.583 -17.181 1.00 61.15 O ATOM 185 CB MET A 12 -5.164 -7.030 -16.744 1.00 10.44 C ATOM 186 CG MET A 12 -5.909 -7.590 -17.957 1.00 20.33 C ATOM 187 SD MET A 12 -7.526 -8.166 -17.466 1.00 23.32 S ATOM 188 CE MET A 12 -7.160 -8.751 -15.819 1.00 74.43 C ATOM 0 H MET A 12 -3.331 -5.483 -15.312 1.00 20.04 H new ATOM 0 HA MET A 12 -3.965 -5.933 -18.167 1.00 73.11 H new ATOM 0 HB2 MET A 12 -4.534 -7.806 -16.310 1.00 10.44 H new ATOM 0 HB3 MET A 12 -5.880 -6.735 -15.977 1.00 10.44 H new ATOM 0 HG2 MET A 12 -6.005 -6.820 -18.723 1.00 20.33 H new ATOM 0 HG3 MET A 12 -5.340 -8.409 -18.398 1.00 20.33 H new ATOM 0 HE1 MET A 12 -7.915 -9.476 -15.514 1.00 74.43 H new ATOM 0 HE2 MET A 12 -6.178 -9.224 -15.811 1.00 74.43 H new ATOM 0 HE3 MET A 12 -7.163 -7.910 -15.125 1.00 74.43 H new ATOM 198 N LYS A 13 -4.444 -3.448 -16.773 1.00 3.23 N ATOM 199 CA LYS A 13 -5.104 -2.160 -16.644 1.00 42.12 C ATOM 200 C LYS A 13 -4.558 -1.204 -17.706 1.00 34.24 C ATOM 201 O LYS A 13 -5.248 -0.884 -18.673 1.00 23.10 O ATOM 202 CB LYS A 13 -4.974 -1.631 -15.215 1.00 13.54 C ATOM 203 CG LYS A 13 -5.846 -0.391 -15.007 1.00 61.54 C ATOM 204 CD LYS A 13 -7.313 -0.695 -15.320 1.00 54.44 C ATOM 205 CE LYS A 13 -7.768 -1.979 -14.625 1.00 54.34 C ATOM 206 NZ LYS A 13 -9.245 -2.026 -14.537 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.432 -3.423 -16.650 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.174 -2.261 -16.825 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.266 -2.408 -14.508 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -3.932 -1.386 -15.008 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.754 -0.046 -13.977 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -5.494 0.418 -15.647 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -7.937 0.138 -14.997 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.446 -0.794 -16.397 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -7.403 -2.846 -15.175 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -7.336 -2.031 -13.625 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -9.537 -2.904 -14.062 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -9.587 -1.208 -13.993 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.651 -1.998 -15.494 1.00 20.13 H new ATOM 219 N CYS A 14 -3.323 -0.774 -17.491 1.00 0.42 N ATOM 220 CA CYS A 14 -2.677 0.140 -18.417 1.00 73.31 C ATOM 221 C CYS A 14 -1.793 -0.679 -19.360 1.00 61.22 C ATOM 222 O CYS A 14 -1.539 -0.267 -20.492 1.00 3.21 O ATOM 223 CB CYS A 14 -1.880 1.220 -17.682 1.00 23.12 C ATOM 224 SG CYS A 14 -2.537 1.671 -16.035 1.00 24.50 S ATOM 0 H CYS A 14 -2.753 -1.042 -16.689 1.00 0.42 H new ATOM 0 HA CYS A 14 -3.433 0.670 -18.997 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.852 0.877 -17.566 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -1.850 2.115 -18.303 1.00 23.12 H new ATOM 229 N SER A 15 -1.350 -1.823 -18.860 1.00 53.01 N ATOM 230 CA SER A 15 -0.499 -2.702 -19.645 1.00 44.23 C ATOM 231 C SER A 15 -0.977 -2.733 -21.098 1.00 0.15 C ATOM 232 O SER A 15 -0.165 -2.734 -22.022 1.00 13.43 O ATOM 233 CB SER A 15 -0.484 -4.117 -19.062 1.00 10.33 C ATOM 234 OG SER A 15 -0.320 -5.109 -20.072 1.00 53.25 O ATOM 0 H SER A 15 -1.564 -2.162 -17.922 1.00 53.01 H new ATOM 0 HA SER A 15 0.518 -2.312 -19.612 1.00 44.23 H new ATOM 0 HB2 SER A 15 0.325 -4.201 -18.336 1.00 10.33 H new ATOM 0 HB3 SER A 15 -1.415 -4.297 -18.524 1.00 10.33 H new ATOM 0 HG SER A 15 -0.723 -5.951 -19.772 1.00 53.25 H new ATOM 240 N GLN A 16 -2.292 -2.754 -21.255 1.00 52.31 N ATOM 241 CA GLN A 16 -2.887 -2.783 -22.580 1.00 24.53 C ATOM 242 C GLN A 16 -2.162 -1.807 -23.510 1.00 24.04 C ATOM 243 O GLN A 16 -1.779 -2.171 -24.621 1.00 52.22 O ATOM 244 CB GLN A 16 -4.384 -2.471 -22.516 1.00 34.30 C ATOM 245 CG GLN A 16 -5.056 -2.732 -23.865 1.00 64.14 C ATOM 246 CD GLN A 16 -5.317 -4.225 -24.068 1.00 25.22 C ATOM 247 OE1 GLN A 16 -4.844 -4.843 -25.008 1.00 33.12 O ATOM 248 NE2 GLN A 16 -6.094 -4.771 -23.137 1.00 5.30 N ATOM 0 H GLN A 16 -2.962 -2.752 -20.486 1.00 52.31 H new ATOM 0 HA GLN A 16 -2.776 -3.789 -22.984 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -4.854 -3.084 -21.747 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -4.530 -1.430 -22.228 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -5.997 -2.184 -23.919 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -4.423 -2.357 -24.669 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -6.458 -4.198 -22.376 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -6.326 -5.763 -23.184 1.00 5.30 H new ATOM 257 N CYS A 17 -1.997 -0.587 -23.021 1.00 3.32 N ATOM 258 CA CYS A 17 -1.326 0.444 -23.794 1.00 24.21 C ATOM 259 C CYS A 17 0.066 0.664 -23.194 1.00 61.52 C ATOM 260 O CYS A 17 1.073 0.515 -23.883 1.00 14.11 O ATOM 261 CB CYS A 17 -2.139 1.739 -23.837 1.00 30.04 C ATOM 262 SG CYS A 17 -3.952 1.503 -23.915 1.00 4.14 S ATOM 0 H CYS A 17 -2.316 -0.289 -22.099 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.228 0.119 -24.830 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -1.901 2.331 -22.953 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -1.825 2.321 -24.704 1.00 30.04 H new ATOM 267 N HIS A 18 0.075 1.015 -21.916 1.00 62.50 N ATOM 268 CA HIS A 18 1.325 1.257 -21.217 1.00 4.04 C ATOM 269 C HIS A 18 2.065 -0.067 -21.013 1.00 22.22 C ATOM 270 O HIS A 18 1.485 -1.138 -21.184 1.00 62.34 O ATOM 271 CB HIS A 18 1.078 2.006 -19.905 1.00 40.31 C ATOM 272 CG HIS A 18 0.780 3.476 -20.083 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.735 4.390 -20.492 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.375 4.178 -19.907 1.00 25.02 C ATOM 275 CE1 HIS A 18 1.170 5.586 -20.553 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.138 5.453 -20.189 1.00 53.31 N ATOM 0 H HIS A 18 -0.763 1.137 -21.347 1.00 62.50 H new ATOM 0 HA HIS A 18 1.964 1.901 -21.821 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.244 1.537 -19.383 1.00 40.31 H new ATOM 0 HB3 HIS A 18 1.955 1.898 -19.267 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.709 4.178 -20.710 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.322 3.766 -19.592 1.00 25.02 H new ATOM 0 HE1 HIS A 18 1.659 6.505 -20.840 1.00 64.43 H new ATOM 284 N THR A 19 3.334 0.050 -20.652 1.00 13.43 N ATOM 285 CA THR A 19 4.159 -1.124 -20.423 1.00 60.21 C ATOM 286 C THR A 19 5.333 -0.781 -19.505 1.00 32.10 C ATOM 287 O THR A 19 6.182 0.037 -19.857 1.00 32.41 O ATOM 288 CB THR A 19 4.591 -1.670 -21.785 1.00 74.25 C ATOM 289 OG1 THR A 19 5.110 -0.532 -22.467 1.00 32.15 O ATOM 290 CG2 THR A 19 3.403 -2.109 -22.644 1.00 61.22 C ATOM 0 H THR A 19 3.812 0.940 -20.512 1.00 13.43 H new ATOM 0 HA THR A 19 3.601 -1.905 -19.905 1.00 60.21 H new ATOM 0 HB THR A 19 5.265 -2.514 -21.640 1.00 74.25 H new ATOM 0 HG1 THR A 19 5.499 0.090 -21.817 1.00 32.15 H new ATOM 0 HG21 THR A 19 3.765 -2.488 -23.600 1.00 61.22 H new ATOM 0 HG22 THR A 19 2.851 -2.894 -22.128 1.00 61.22 H new ATOM 0 HG23 THR A 19 2.745 -1.257 -22.818 1.00 61.22 H new ATOM 298 N VAL A 20 5.345 -1.422 -18.347 1.00 73.30 N ATOM 299 CA VAL A 20 6.401 -1.195 -17.375 1.00 62.41 C ATOM 300 C VAL A 20 7.627 -2.027 -17.757 1.00 42.31 C ATOM 301 O VAL A 20 8.129 -2.808 -16.949 1.00 23.32 O ATOM 302 CB VAL A 20 5.890 -1.496 -15.965 1.00 73.02 C ATOM 303 CG1 VAL A 20 4.515 -0.865 -15.733 1.00 11.15 C ATOM 304 CG2 VAL A 20 5.850 -3.004 -15.707 1.00 54.03 C ATOM 0 H VAL A 20 4.639 -2.100 -18.059 1.00 73.30 H new ATOM 0 HA VAL A 20 6.704 -0.148 -17.379 1.00 62.41 H new ATOM 0 HB VAL A 20 6.587 -1.052 -15.255 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.175 -1.094 -14.723 1.00 11.15 H new ATOM 0 HG12 VAL A 20 4.585 0.216 -15.855 1.00 11.15 H new ATOM 0 HG13 VAL A 20 3.804 -1.266 -16.455 1.00 11.15 H new ATOM 0 HG21 VAL A 20 5.483 -3.191 -14.698 1.00 54.03 H new ATOM 0 HG22 VAL A 20 5.185 -3.479 -16.428 1.00 54.03 H new ATOM 0 HG23 VAL A 20 6.853 -3.418 -15.811 1.00 54.03 H new ATOM 314 N GLU A 21 8.073 -1.833 -18.990 1.00 2.20 N ATOM 315 CA GLU A 21 9.231 -2.556 -19.488 1.00 22.52 C ATOM 316 C GLU A 21 10.200 -1.594 -20.179 1.00 34.35 C ATOM 317 O GLU A 21 9.885 -1.037 -21.229 1.00 52.54 O ATOM 318 CB GLU A 21 8.808 -3.681 -20.436 1.00 61.35 C ATOM 319 CG GLU A 21 8.002 -3.132 -21.615 1.00 1.24 C ATOM 320 CD GLU A 21 7.300 -4.260 -22.372 1.00 73.45 C ATOM 321 OE1 GLU A 21 6.293 -4.017 -23.053 1.00 31.11 O ATOM 322 OE2 GLU A 21 7.836 -5.426 -22.234 1.00 44.15 O1- ATOM 0 H GLU A 21 7.654 -1.186 -19.658 1.00 2.20 H new ATOM 0 HA GLU A 21 9.743 -3.011 -18.640 1.00 22.52 H new ATOM 0 HB2 GLU A 21 9.692 -4.201 -20.806 1.00 61.35 H new ATOM 0 HB3 GLU A 21 8.211 -4.414 -19.893 1.00 61.35 H new ATOM 0 HG2 GLU A 21 7.263 -2.417 -21.253 1.00 1.24 H new ATOM 0 HG3 GLU A 21 8.664 -2.592 -22.292 1.00 1.24 H new ATOM 330 N LYS A 22 11.360 -1.429 -19.560 1.00 34.22 N ATOM 331 CA LYS A 22 12.378 -0.545 -20.100 1.00 44.40 C ATOM 332 C LYS A 22 12.434 -0.710 -21.620 1.00 4.32 C ATOM 333 O LYS A 22 12.953 -1.706 -22.121 1.00 2.32 O ATOM 334 CB LYS A 22 13.720 -0.783 -19.405 1.00 74.13 C ATOM 335 CG LYS A 22 14.753 0.261 -19.835 1.00 50.22 C ATOM 336 CD LYS A 22 14.631 1.532 -18.991 1.00 63.22 C ATOM 337 CE LYS A 22 15.399 1.391 -17.675 1.00 63.42 C ATOM 338 NZ LYS A 22 16.849 1.585 -17.896 1.00 43.00 N1+ ATOM 0 H LYS A 22 11.617 -1.893 -18.689 1.00 34.22 H new ATOM 0 HA LYS A 22 12.124 0.496 -19.900 1.00 44.40 H new ATOM 0 HB2 LYS A 22 13.586 -0.743 -18.324 1.00 74.13 H new ATOM 0 HB3 LYS A 22 14.086 -1.782 -19.644 1.00 74.13 H new ATOM 0 HG2 LYS A 22 15.757 -0.152 -19.734 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.613 0.504 -20.888 1.00 50.22 H new ATOM 0 HD2 LYS A 22 15.016 2.384 -19.552 1.00 63.22 H new ATOM 0 HD3 LYS A 22 13.581 1.736 -18.783 1.00 63.22 H new ATOM 0 HE2 LYS A 22 15.034 2.123 -16.954 1.00 63.42 H new ATOM 0 HE3 LYS A 22 15.219 0.405 -17.247 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 17.340 1.604 -16.980 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 17.220 0.802 -18.472 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 17.007 2.485 -18.392 1.00 43.00 H new ATOM 351 N GLY A 23 11.895 0.283 -22.312 1.00 52.14 N ATOM 352 CA GLY A 23 11.879 0.260 -23.765 1.00 30.32 C ATOM 353 C GLY A 23 10.555 -0.301 -24.289 1.00 2.14 C ATOM 354 O GLY A 23 10.543 -1.099 -25.226 1.00 23.14 O ATOM 0 H GLY A 23 11.466 1.109 -21.894 1.00 52.14 H new ATOM 0 HA2 GLY A 23 12.029 1.269 -24.150 1.00 30.32 H new ATOM 0 HA3 GLY A 23 12.706 -0.347 -24.132 1.00 30.32 H new ATOM 358 N GLY A 24 9.473 0.136 -23.662 1.00 32.53 N ATOM 359 CA GLY A 24 8.148 -0.313 -24.054 1.00 33.34 C ATOM 360 C GLY A 24 7.868 0.018 -25.521 1.00 72.53 C ATOM 361 O GLY A 24 8.793 0.120 -26.325 1.00 13.20 O ATOM 0 H GLY A 24 9.487 0.797 -22.885 1.00 32.53 H new ATOM 0 HA2 GLY A 24 8.064 -1.388 -23.898 1.00 33.34 H new ATOM 0 HA3 GLY A 24 7.398 0.161 -23.421 1.00 33.34 H new ATOM 365 N LYS A 25 6.589 0.177 -25.825 1.00 11.42 N ATOM 366 CA LYS A 25 6.176 0.495 -27.181 1.00 2.02 C ATOM 367 C LYS A 25 5.174 1.650 -27.147 1.00 31.52 C ATOM 368 O LYS A 25 4.482 1.849 -26.149 1.00 72.44 O ATOM 369 CB LYS A 25 5.647 -0.756 -27.887 1.00 24.30 C ATOM 370 CG LYS A 25 6.387 -2.008 -27.412 1.00 22.43 C ATOM 371 CD LYS A 25 6.275 -3.135 -28.442 1.00 53.42 C ATOM 372 CE LYS A 25 7.377 -4.175 -28.238 1.00 11.53 C ATOM 373 NZ LYS A 25 7.424 -4.611 -26.823 1.00 63.31 N1+ ATOM 0 H LYS A 25 5.824 0.092 -25.155 1.00 11.42 H new ATOM 0 HA LYS A 25 7.030 0.830 -27.770 1.00 2.02 H new ATOM 0 HB2 LYS A 25 4.580 -0.864 -27.692 1.00 24.30 H new ATOM 0 HB3 LYS A 25 5.765 -0.647 -28.965 1.00 24.30 H new ATOM 0 HG2 LYS A 25 7.437 -1.771 -27.240 1.00 22.43 H new ATOM 0 HG3 LYS A 25 5.974 -2.339 -26.459 1.00 22.43 H new ATOM 0 HD2 LYS A 25 5.299 -3.613 -28.359 1.00 53.42 H new ATOM 0 HD3 LYS A 25 6.342 -2.721 -29.448 1.00 53.42 H new ATOM 0 HE2 LYS A 25 7.198 -5.035 -28.884 1.00 11.53 H new ATOM 0 HE3 LYS A 25 8.340 -3.754 -28.527 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 7.987 -5.482 -26.747 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 7.860 -3.865 -26.244 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 6.458 -4.793 -26.483 1.00 63.31 H new ATOM 386 N HIS A 26 5.129 2.384 -28.249 1.00 25.51 N ATOM 387 CA HIS A 26 4.224 3.516 -28.358 1.00 74.44 C ATOM 388 C HIS A 26 2.905 3.061 -28.987 1.00 45.22 C ATOM 389 O HIS A 26 2.254 3.828 -29.695 1.00 2.22 O ATOM 390 CB HIS A 26 4.881 4.666 -29.124 1.00 11.11 C ATOM 391 CG HIS A 26 5.937 5.404 -28.337 1.00 12.42 C ATOM 392 ND1 HIS A 26 6.065 5.290 -26.964 1.00 62.23 N ATOM 393 CD2 HIS A 26 6.913 6.265 -28.745 1.00 45.21 C ATOM 394 CE1 HIS A 26 7.075 6.054 -26.574 1.00 75.04 C ATOM 395 NE2 HIS A 26 7.599 6.658 -27.679 1.00 43.14 N ATOM 0 H HIS A 26 5.705 2.217 -29.074 1.00 25.51 H new ATOM 0 HA HIS A 26 3.998 3.902 -27.364 1.00 74.44 H new ATOM 0 HB2 HIS A 26 5.331 4.272 -30.035 1.00 11.11 H new ATOM 0 HB3 HIS A 26 4.110 5.373 -29.429 1.00 11.11 H new ATOM 0 HD2 HIS A 26 7.097 6.575 -29.763 1.00 45.21 H new ATOM 0 HE1 HIS A 26 7.422 6.177 -25.559 1.00 75.04 H new ATOM 0 HE2 HIS A 26 8.388 7.305 -27.685 1.00 43.14 H new ATOM 403 N LYS A 27 2.552 1.815 -28.707 1.00 44.03 N ATOM 404 CA LYS A 27 1.324 1.248 -29.236 1.00 53.42 C ATOM 405 C LYS A 27 0.180 2.245 -29.038 1.00 34.44 C ATOM 406 O LYS A 27 -0.033 3.125 -29.870 1.00 33.44 O ATOM 407 CB LYS A 27 1.057 -0.125 -28.618 1.00 74.10 C ATOM 408 CG LYS A 27 2.009 -1.179 -29.189 1.00 42.43 C ATOM 409 CD LYS A 27 1.450 -1.780 -30.481 1.00 54.03 C ATOM 410 CE LYS A 27 0.286 -2.729 -30.184 1.00 14.52 C ATOM 411 NZ LYS A 27 0.784 -4.105 -29.963 1.00 5.14 N1+ ATOM 0 H LYS A 27 3.096 1.182 -28.120 1.00 44.03 H new ATOM 0 HA LYS A 27 1.416 1.076 -30.308 1.00 53.42 H new ATOM 0 HB2 LYS A 27 1.177 -0.070 -27.536 1.00 74.10 H new ATOM 0 HB3 LYS A 27 0.025 -0.420 -28.810 1.00 74.10 H new ATOM 0 HG2 LYS A 27 2.982 -0.728 -29.385 1.00 42.43 H new ATOM 0 HG3 LYS A 27 2.166 -1.969 -28.454 1.00 42.43 H new ATOM 0 HD2 LYS A 27 1.114 -0.981 -31.142 1.00 54.03 H new ATOM 0 HD3 LYS A 27 2.238 -2.319 -31.007 1.00 54.03 H new ATOM 0 HE2 LYS A 27 -0.255 -2.386 -29.302 1.00 14.52 H new ATOM 0 HE3 LYS A 27 -0.420 -2.720 -31.015 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 -0.018 -4.736 -29.763 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 1.281 -4.435 -30.815 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 1.440 -4.111 -29.156 1.00 5.14 H new ATOM 424 N THR A 28 -0.526 2.072 -27.930 1.00 74.51 N ATOM 425 CA THR A 28 -1.644 2.946 -27.612 1.00 2.42 C ATOM 426 C THR A 28 -1.244 3.949 -26.527 1.00 41.14 C ATOM 427 O THR A 28 -1.899 4.975 -26.353 1.00 32.05 O ATOM 428 CB THR A 28 -2.833 2.067 -27.219 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.099 1.300 -28.390 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.113 2.878 -27.005 1.00 32.01 C ATOM 0 H THR A 28 -0.346 1.341 -27.242 1.00 74.51 H new ATOM 0 HA THR A 28 -1.936 3.546 -28.474 1.00 2.42 H new ATOM 0 HB THR A 28 -2.594 1.518 -26.308 1.00 52.12 H new ATOM 0 HG1 THR A 28 -3.856 0.700 -28.223 1.00 43.31 H new ATOM 0 HG21 THR A 28 -4.926 2.208 -26.728 1.00 32.01 H new ATOM 0 HG22 THR A 28 -3.954 3.605 -26.208 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.371 3.400 -27.926 1.00 32.01 H new ATOM 438 N GLY A 29 -0.170 3.616 -25.825 1.00 64.54 N ATOM 439 CA GLY A 29 0.325 4.474 -24.763 1.00 55.30 C ATOM 440 C GLY A 29 1.855 4.510 -24.755 1.00 1.42 C ATOM 441 O GLY A 29 2.504 3.568 -25.206 1.00 41.14 O ATOM 0 H GLY A 29 0.371 2.764 -25.972 1.00 64.54 H new ATOM 0 HA2 GLY A 29 -0.065 5.483 -24.894 1.00 55.30 H new ATOM 0 HA3 GLY A 29 -0.039 4.114 -23.801 1.00 55.30 H new ATOM 445 N PRO A 30 2.400 5.637 -24.223 1.00 74.54 N ATOM 446 CA PRO A 30 3.841 5.808 -24.150 1.00 74.11 C ATOM 447 C PRO A 30 4.440 4.950 -23.033 1.00 24.32 C ATOM 448 O PRO A 30 3.834 4.793 -21.974 1.00 24.23 O ATOM 449 CB PRO A 30 4.049 7.298 -23.931 1.00 41.30 C ATOM 450 CG PRO A 30 2.720 7.835 -23.426 1.00 54.01 C ATOM 451 CD PRO A 30 1.663 6.773 -23.679 1.00 12.13 C ATOM 0 HA PRO A 30 4.350 5.476 -25.055 1.00 74.11 H new ATOM 0 HB2 PRO A 30 4.844 7.479 -23.207 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.343 7.792 -24.857 1.00 41.30 H new ATOM 0 HG2 PRO A 30 2.781 8.067 -22.363 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.462 8.761 -23.940 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.144 6.504 -22.759 1.00 12.13 H new ATOM 0 HD3 PRO A 30 0.907 7.126 -24.380 1.00 12.13 H new ATOM 459 N ASN A 31 5.621 4.418 -23.309 1.00 21.33 N ATOM 460 CA ASN A 31 6.308 3.580 -22.340 1.00 33.24 C ATOM 461 C ASN A 31 6.481 4.356 -21.034 1.00 11.33 C ATOM 462 O ASN A 31 6.685 5.568 -21.049 1.00 70.42 O ATOM 463 CB ASN A 31 7.698 3.184 -22.843 1.00 44.34 C ATOM 464 CG ASN A 31 8.539 2.584 -21.715 1.00 45.33 C ATOM 465 OD1 ASN A 31 9.531 3.145 -21.279 1.00 35.40 O ATOM 466 ND2 ASN A 31 8.089 1.416 -21.267 1.00 71.13 N ATOM 0 H ASN A 31 6.120 4.550 -24.189 1.00 21.33 H new ATOM 0 HA ASN A 31 5.710 2.681 -22.186 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.603 2.462 -23.654 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.203 4.059 -23.252 1.00 44.34 H new ATOM 0 HD21 ASN A 31 8.581 0.935 -20.514 1.00 71.13 H new ATOM 0 HD22 ASN A 31 7.252 1.001 -21.676 1.00 71.13 H new ATOM 473 N LEU A 32 6.394 3.624 -19.932 1.00 25.52 N ATOM 474 CA LEU A 32 6.539 4.227 -18.618 1.00 3.12 C ATOM 475 C LEU A 32 7.940 3.931 -18.078 1.00 43.31 C ATOM 476 O LEU A 32 8.655 4.841 -17.663 1.00 21.41 O ATOM 477 CB LEU A 32 5.412 3.770 -17.692 1.00 53.22 C ATOM 478 CG LEU A 32 4.004 4.233 -18.070 1.00 2.33 C ATOM 479 CD1 LEU A 32 3.150 4.469 -16.823 1.00 33.31 C ATOM 480 CD2 LEU A 32 4.056 5.468 -18.971 1.00 64.04 C ATOM 0 H LEU A 32 6.225 2.618 -19.923 1.00 25.52 H new ATOM 0 HA LEU A 32 6.445 5.311 -18.683 1.00 3.12 H new ATOM 0 HB2 LEU A 32 5.417 2.681 -17.656 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.631 4.123 -16.684 1.00 53.22 H new ATOM 0 HG LEU A 32 3.526 3.437 -18.641 1.00 2.33 H new ATOM 0 HD11 LEU A 32 2.154 4.797 -17.121 1.00 33.31 H new ATOM 0 HD12 LEU A 32 3.072 3.542 -16.255 1.00 33.31 H new ATOM 0 HD13 LEU A 32 3.615 5.236 -16.203 1.00 33.31 H new ATOM 0 HD21 LEU A 32 3.042 5.776 -19.225 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.561 6.279 -18.447 1.00 64.04 H new ATOM 0 HD23 LEU A 32 4.602 5.230 -19.884 1.00 64.04 H new ATOM 492 N HIS A 33 8.289 2.652 -18.098 1.00 23.30 N ATOM 493 CA HIS A 33 9.590 2.224 -17.614 1.00 74.15 C ATOM 494 C HIS A 33 10.657 3.229 -18.053 1.00 20.01 C ATOM 495 O HIS A 33 11.140 3.173 -19.182 1.00 41.10 O ATOM 496 CB HIS A 33 9.896 0.797 -18.071 1.00 31.34 C ATOM 497 CG HIS A 33 10.932 0.091 -17.228 1.00 51.32 C ATOM 498 ND1 HIS A 33 12.153 0.660 -16.908 1.00 11.24 N ATOM 499 CD2 HIS A 33 10.916 -1.141 -16.642 1.00 72.42 C ATOM 500 CE1 HIS A 33 12.832 -0.200 -16.164 1.00 33.45 C ATOM 501 NE2 HIS A 33 12.064 -1.315 -16.000 1.00 33.01 N ATOM 0 H HIS A 33 7.693 1.899 -18.442 1.00 23.30 H new ATOM 0 HA HIS A 33 9.588 2.202 -16.524 1.00 74.15 H new ATOM 0 HB2 HIS A 33 8.974 0.216 -18.057 1.00 31.34 H new ATOM 0 HB3 HIS A 33 10.240 0.823 -19.105 1.00 31.34 H new ATOM 0 HD2 HIS A 33 10.106 -1.854 -16.692 1.00 72.42 H new ATOM 0 HE1 HIS A 33 13.821 -0.045 -15.758 1.00 33.45 H new ATOM 0 HE2 HIS A 33 12.329 -2.146 -15.471 1.00 33.01 H new ATOM 509 N GLY A 34 10.992 4.125 -17.136 1.00 13.14 N ATOM 510 CA GLY A 34 11.993 5.142 -17.414 1.00 20.04 C ATOM 511 C GLY A 34 11.345 6.516 -17.585 1.00 32.42 C ATOM 512 O GLY A 34 11.879 7.375 -18.286 1.00 44.34 O ATOM 0 H GLY A 34 10.588 4.168 -16.200 1.00 13.14 H new ATOM 0 HA2 GLY A 34 12.717 5.176 -16.600 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.542 4.880 -18.318 1.00 20.04 H new ATOM 516 N LEU A 35 10.203 6.683 -16.934 1.00 32.24 N ATOM 517 CA LEU A 35 9.477 7.939 -17.006 1.00 31.25 C ATOM 518 C LEU A 35 9.753 8.756 -15.742 1.00 52.04 C ATOM 519 O LEU A 35 10.371 9.818 -15.808 1.00 22.11 O ATOM 520 CB LEU A 35 7.990 7.684 -17.260 1.00 41.23 C ATOM 521 CG LEU A 35 7.048 8.851 -16.957 1.00 31.03 C ATOM 522 CD1 LEU A 35 6.891 9.761 -18.177 1.00 5.42 C ATOM 523 CD2 LEU A 35 5.698 8.347 -16.441 1.00 1.05 C ATOM 0 H LEU A 35 9.763 5.969 -16.354 1.00 32.24 H new ATOM 0 HA LEU A 35 9.825 8.532 -17.852 1.00 31.25 H new ATOM 0 HB2 LEU A 35 7.863 7.403 -18.305 1.00 41.23 H new ATOM 0 HB3 LEU A 35 7.681 6.828 -16.660 1.00 41.23 H new ATOM 0 HG LEU A 35 7.493 9.451 -16.163 1.00 31.03 H new ATOM 0 HD11 LEU A 35 6.216 10.582 -17.934 1.00 5.42 H new ATOM 0 HD12 LEU A 35 7.864 10.162 -18.459 1.00 5.42 H new ATOM 0 HD13 LEU A 35 6.480 9.188 -19.008 1.00 5.42 H new ATOM 0 HD21 LEU A 35 5.048 9.197 -16.233 1.00 1.05 H new ATOM 0 HD22 LEU A 35 5.235 7.711 -17.195 1.00 1.05 H new ATOM 0 HD23 LEU A 35 5.849 7.774 -15.526 1.00 1.05 H new ATOM 535 N PHE A 36 9.283 8.230 -14.621 1.00 20.52 N ATOM 536 CA PHE A 36 9.471 8.898 -13.344 1.00 73.41 C ATOM 537 C PHE A 36 10.851 9.553 -13.267 1.00 62.01 C ATOM 538 O PHE A 36 11.840 8.894 -12.948 1.00 45.32 O ATOM 539 CB PHE A 36 9.369 7.823 -12.259 1.00 3.55 C ATOM 540 CG PHE A 36 8.000 7.147 -12.180 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.730 6.065 -12.960 1.00 55.31 C ATOM 542 CD2 PHE A 36 7.051 7.626 -11.331 1.00 21.25 C ATOM 543 CE1 PHE A 36 6.458 5.437 -12.887 1.00 43.54 C ATOM 544 CE2 PHE A 36 5.780 6.998 -11.258 1.00 11.12 C ATOM 545 CZ PHE A 36 5.510 5.917 -12.038 1.00 24.50 C ATOM 0 H PHE A 36 8.772 7.349 -14.570 1.00 20.52 H new ATOM 0 HA PHE A 36 8.720 9.678 -13.217 1.00 73.41 H new ATOM 0 HB2 PHE A 36 10.128 7.063 -12.443 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.597 8.274 -11.293 1.00 3.55 H new ATOM 0 HD1 PHE A 36 8.483 5.684 -13.634 1.00 55.31 H new ATOM 0 HD2 PHE A 36 7.265 8.485 -10.712 1.00 21.25 H new ATOM 0 HE1 PHE A 36 6.244 4.578 -13.506 1.00 43.54 H new ATOM 0 HE2 PHE A 36 5.028 7.379 -10.583 1.00 11.12 H new ATOM 0 HZ PHE A 36 4.543 5.440 -11.983 1.00 24.50 H new ATOM 555 N GLY A 37 10.876 10.844 -13.565 1.00 72.03 N ATOM 556 CA GLY A 37 12.118 11.597 -13.534 1.00 54.23 C ATOM 557 C GLY A 37 12.276 12.447 -14.796 1.00 11.10 C ATOM 558 O GLY A 37 13.207 13.244 -14.898 1.00 34.13 O ATOM 0 H GLY A 37 10.055 11.388 -13.829 1.00 72.03 H new ATOM 0 HA2 GLY A 37 12.136 12.240 -12.654 1.00 54.23 H new ATOM 0 HA3 GLY A 37 12.961 10.912 -13.445 1.00 54.23 H new ATOM 562 N ARG A 38 11.354 12.246 -15.726 1.00 20.32 N ATOM 563 CA ARG A 38 11.379 12.984 -16.976 1.00 21.31 C ATOM 564 C ARG A 38 10.062 13.737 -17.176 1.00 12.13 C ATOM 565 O ARG A 38 9.001 13.254 -16.781 1.00 64.01 O ATOM 566 CB ARG A 38 11.607 12.047 -18.164 1.00 72.11 C ATOM 567 CG ARG A 38 10.322 11.300 -18.529 1.00 4.21 C ATOM 568 CD ARG A 38 10.618 10.120 -19.456 1.00 70.22 C ATOM 569 NE ARG A 38 11.249 10.603 -20.704 1.00 24.34 N ATOM 570 CZ ARG A 38 11.442 9.838 -21.800 1.00 4.41 C ATOM 571 NH1 ARG A 38 11.052 8.546 -21.811 1.00 32.22 N ATOM 572 NH2 ARG A 38 12.018 10.373 -22.861 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.585 11.582 -15.638 1.00 20.32 H new ATOM 0 HA ARG A 38 12.203 13.695 -16.924 1.00 21.31 H new ATOM 0 HB2 ARG A 38 11.954 12.621 -19.023 1.00 72.11 H new ATOM 0 HB3 ARG A 38 12.392 11.331 -17.921 1.00 72.11 H new ATOM 0 HG2 ARG A 38 9.836 10.941 -17.622 1.00 4.21 H new ATOM 0 HG3 ARG A 38 9.626 11.983 -19.015 1.00 4.21 H new ATOM 0 HD2 ARG A 38 11.278 9.411 -18.956 1.00 70.22 H new ATOM 0 HD3 ARG A 38 9.695 9.588 -19.688 1.00 70.22 H new ATOM 0 HE ARG A 38 11.558 11.575 -20.739 1.00 24.34 H new ATOM 0 HH11 ARG A 38 10.608 8.140 -20.987 1.00 32.22 H new ATOM 0 HH12 ARG A 38 11.202 7.975 -22.643 1.00 32.22 H new ATOM 0 HH21 ARG A 38 12.310 11.350 -22.845 1.00 41.32 H new ATOM 0 HH22 ARG A 38 12.171 9.809 -23.697 1.00 41.32 H new ATOM 585 N LYS A 39 10.172 14.906 -17.788 1.00 13.22 N ATOM 586 CA LYS A 39 9.004 15.731 -18.044 1.00 74.33 C ATOM 587 C LYS A 39 8.057 14.986 -18.988 1.00 3.51 C ATOM 588 O LYS A 39 8.263 13.809 -19.276 1.00 62.53 O ATOM 589 CB LYS A 39 9.422 17.111 -18.555 1.00 1.41 C ATOM 590 CG LYS A 39 10.398 17.781 -17.586 1.00 54.01 C ATOM 591 CD LYS A 39 11.084 18.981 -18.242 1.00 44.05 C ATOM 592 CE LYS A 39 12.312 18.542 -19.041 1.00 41.14 C ATOM 593 NZ LYS A 39 13.508 18.493 -18.171 1.00 34.23 N1+ ATOM 0 H LYS A 39 11.053 15.302 -18.115 1.00 13.22 H new ATOM 0 HA LYS A 39 8.456 15.913 -17.119 1.00 74.33 H new ATOM 0 HB2 LYS A 39 9.887 17.014 -19.536 1.00 1.41 H new ATOM 0 HB3 LYS A 39 8.540 17.739 -18.681 1.00 1.41 H new ATOM 0 HG2 LYS A 39 9.864 18.106 -16.693 1.00 54.01 H new ATOM 0 HG3 LYS A 39 11.149 17.060 -17.264 1.00 54.01 H new ATOM 0 HD2 LYS A 39 10.381 19.491 -18.900 1.00 44.05 H new ATOM 0 HD3 LYS A 39 11.381 19.698 -17.476 1.00 44.05 H new ATOM 0 HE2 LYS A 39 12.135 17.560 -19.481 1.00 41.14 H new ATOM 0 HE3 LYS A 39 12.483 19.234 -19.865 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 14.332 18.193 -18.730 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 13.686 19.437 -17.771 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 13.348 17.815 -17.399 1.00 34.23 H new ATOM 606 N THR A 40 7.042 15.705 -19.444 1.00 65.31 N ATOM 607 CA THR A 40 6.063 15.127 -20.349 1.00 31.43 C ATOM 608 C THR A 40 6.319 15.597 -21.783 1.00 44.43 C ATOM 609 O THR A 40 6.507 16.789 -22.024 1.00 33.44 O ATOM 610 CB THR A 40 4.668 15.488 -19.832 1.00 11.21 C ATOM 611 OG1 THR A 40 4.498 16.849 -20.215 1.00 13.44 O ATOM 612 CG2 THR A 40 4.602 15.520 -18.304 1.00 70.11 C ATOM 0 H THR A 40 6.876 16.682 -19.204 1.00 65.31 H new ATOM 0 HA THR A 40 6.144 14.040 -20.376 1.00 31.43 H new ATOM 0 HB THR A 40 3.942 14.770 -20.212 1.00 11.21 H new ATOM 0 HG1 THR A 40 3.660 16.946 -20.713 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.592 15.781 -17.989 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.864 14.539 -17.908 1.00 70.11 H new ATOM 0 HG23 THR A 40 5.304 16.263 -17.925 1.00 70.11 H new ATOM 620 N GLY A 41 6.319 14.637 -22.696 1.00 74.22 N ATOM 621 CA GLY A 41 6.550 14.938 -24.098 1.00 71.51 C ATOM 622 C GLY A 41 7.979 14.579 -24.508 1.00 41.34 C ATOM 623 O GLY A 41 8.447 14.992 -25.568 1.00 43.02 O ATOM 0 H GLY A 41 6.163 13.650 -22.492 1.00 74.22 H new ATOM 0 HA2 GLY A 41 5.841 14.384 -24.714 1.00 71.51 H new ATOM 0 HA3 GLY A 41 6.371 15.998 -24.280 1.00 71.51 H new ATOM 627 N GLN A 42 8.634 13.814 -23.647 1.00 44.12 N ATOM 628 CA GLN A 42 10.001 13.396 -23.906 1.00 73.11 C ATOM 629 C GLN A 42 10.020 12.236 -24.905 1.00 50.22 C ATOM 630 O GLN A 42 10.860 12.200 -25.803 1.00 50.14 O ATOM 631 CB GLN A 42 10.712 13.012 -22.607 1.00 52.53 C ATOM 632 CG GLN A 42 10.786 14.203 -21.650 1.00 41.42 C ATOM 633 CD GLN A 42 11.340 15.442 -22.357 1.00 13.22 C ATOM 634 OE1 GLN A 42 12.534 15.698 -22.373 1.00 42.03 O ATOM 635 NE2 GLN A 42 10.411 16.193 -22.941 1.00 33.53 N ATOM 0 H GLN A 42 8.243 13.473 -22.769 1.00 44.12 H new ATOM 0 HA GLN A 42 10.541 14.236 -24.343 1.00 73.11 H new ATOM 0 HB2 GLN A 42 10.182 12.188 -22.128 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.718 12.657 -22.830 1.00 52.53 H new ATOM 0 HG2 GLN A 42 9.793 14.419 -21.255 1.00 41.42 H new ATOM 0 HG3 GLN A 42 11.420 13.952 -20.799 1.00 41.42 H new ATOM 0 HE21 GLN A 42 9.429 15.921 -22.890 1.00 33.53 H new ATOM 0 HE22 GLN A 42 10.680 17.041 -23.440 1.00 33.53 H new ATOM 644 N ALA A 43 9.084 11.317 -24.714 1.00 21.43 N ATOM 645 CA ALA A 43 8.984 10.160 -25.586 1.00 13.43 C ATOM 646 C ALA A 43 9.248 10.591 -27.030 1.00 25.42 C ATOM 647 O ALA A 43 8.363 11.128 -27.694 1.00 21.44 O ATOM 648 CB ALA A 43 7.610 9.509 -25.415 1.00 52.04 C ATOM 0 H ALA A 43 8.389 11.351 -23.968 1.00 21.43 H new ATOM 0 HA ALA A 43 9.734 9.414 -25.321 1.00 13.43 H new ATOM 0 HB1 ALA A 43 7.535 8.641 -26.069 1.00 52.04 H new ATOM 0 HB2 ALA A 43 7.483 9.195 -24.379 1.00 52.04 H new ATOM 0 HB3 ALA A 43 6.832 10.227 -25.674 1.00 52.04 H new ATOM 654 N PRO A 44 10.503 10.334 -27.487 1.00 54.23 N ATOM 655 CA PRO A 44 10.896 10.688 -28.840 1.00 32.32 C ATOM 656 C PRO A 44 10.289 9.721 -29.859 1.00 45.34 C ATOM 657 O PRO A 44 9.892 8.611 -29.507 1.00 73.41 O ATOM 658 CB PRO A 44 12.415 10.663 -28.829 1.00 53.35 C ATOM 659 CG PRO A 44 12.809 9.847 -27.608 1.00 23.34 C ATOM 660 CD PRO A 44 11.578 9.699 -26.730 1.00 50.12 C ATOM 0 HA PRO A 44 10.530 11.670 -29.140 1.00 32.32 H new ATOM 0 HB2 PRO A 44 12.805 10.213 -29.742 1.00 53.35 H new ATOM 0 HB3 PRO A 44 12.822 11.673 -28.772 1.00 53.35 H new ATOM 0 HG2 PRO A 44 13.184 8.868 -27.908 1.00 23.34 H new ATOM 0 HG3 PRO A 44 13.611 10.342 -27.061 1.00 23.34 H new ATOM 0 HD2 PRO A 44 11.357 8.650 -26.532 1.00 50.12 H new ATOM 0 HD3 PRO A 44 11.721 10.182 -25.764 1.00 50.12 H new ATOM 668 N GLY A 45 10.237 10.177 -31.102 1.00 22.12 N ATOM 669 CA GLY A 45 9.686 9.365 -32.174 1.00 73.44 C ATOM 670 C GLY A 45 8.255 8.930 -31.852 1.00 55.25 C ATOM 671 O GLY A 45 7.734 7.998 -32.461 1.00 72.31 O ATOM 0 H GLY A 45 10.567 11.098 -31.391 1.00 22.12 H new ATOM 0 HA2 GLY A 45 9.697 9.930 -33.106 1.00 73.44 H new ATOM 0 HA3 GLY A 45 10.311 8.486 -32.327 1.00 73.44 H new ATOM 675 N TYR A 46 7.660 9.626 -30.894 1.00 11.53 N ATOM 676 CA TYR A 46 6.299 9.323 -30.484 1.00 1.24 C ATOM 677 C TYR A 46 5.325 10.391 -30.985 1.00 3.31 C ATOM 678 O TYR A 46 5.743 11.457 -31.434 1.00 11.32 O ATOM 679 CB TYR A 46 6.308 9.334 -28.955 1.00 41.13 C ATOM 680 CG TYR A 46 5.005 8.842 -28.321 1.00 1.24 C ATOM 681 CD1 TYR A 46 4.347 7.752 -28.854 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.487 9.488 -27.217 1.00 52.02 C ATOM 683 CE1 TYR A 46 3.121 7.288 -28.259 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.261 9.024 -26.621 1.00 32.21 C ATOM 685 CZ TYR A 46 2.638 7.947 -27.172 1.00 34.24 C ATOM 686 OH TYR A 46 1.481 7.510 -26.609 1.00 1.12 O ATOM 0 H TYR A 46 8.095 10.399 -30.390 1.00 11.53 H new ATOM 0 HA TYR A 46 5.979 8.365 -30.893 1.00 1.24 H new ATOM 0 HB2 TYR A 46 7.130 8.711 -28.602 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.507 10.349 -28.610 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.752 7.247 -29.718 1.00 44.14 H new ATOM 0 HD2 TYR A 46 5.001 10.341 -26.800 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.597 6.436 -28.667 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.845 9.520 -25.756 1.00 32.21 H new ATOM 0 HH TYR A 46 1.396 6.543 -26.745 1.00 1.12 H new ATOM 696 N SER A 47 4.044 10.068 -30.891 1.00 12.14 N ATOM 697 CA SER A 47 3.006 10.987 -31.328 1.00 63.25 C ATOM 698 C SER A 47 2.104 11.358 -30.150 1.00 53.23 C ATOM 699 O SER A 47 0.940 10.961 -30.105 1.00 5.24 O ATOM 700 CB SER A 47 2.176 10.380 -32.461 1.00 53.34 C ATOM 701 OG SER A 47 2.936 9.470 -33.252 1.00 2.34 O ATOM 0 H SER A 47 3.701 9.183 -30.519 1.00 12.14 H new ATOM 0 HA SER A 47 3.486 11.889 -31.707 1.00 63.25 H new ATOM 0 HB2 SER A 47 1.313 9.862 -32.041 1.00 53.34 H new ATOM 0 HB3 SER A 47 1.791 11.178 -33.096 1.00 53.34 H new ATOM 0 HG SER A 47 2.370 9.103 -33.963 1.00 2.34 H new ATOM 707 N TYR A 48 2.675 12.114 -29.224 1.00 51.45 N ATOM 708 CA TYR A 48 1.937 12.543 -28.048 1.00 53.45 C ATOM 709 C TYR A 48 0.728 13.395 -28.440 1.00 22.32 C ATOM 710 O TYR A 48 0.365 13.461 -29.614 1.00 41.51 O ATOM 711 CB TYR A 48 2.906 13.399 -27.231 1.00 50.11 C ATOM 712 CG TYR A 48 3.645 12.629 -26.135 1.00 52.33 C ATOM 713 CD1 TYR A 48 2.932 11.953 -25.166 1.00 54.41 C ATOM 714 CD2 TYR A 48 5.025 12.610 -26.116 1.00 33.34 C ATOM 715 CE1 TYR A 48 3.628 11.227 -24.134 1.00 15.30 C ATOM 716 CE2 TYR A 48 5.721 11.885 -25.084 1.00 74.44 C ATOM 717 CZ TYR A 48 4.987 11.229 -24.144 1.00 60.15 C ATOM 718 OH TYR A 48 5.644 10.545 -23.170 1.00 3.35 O ATOM 0 H TYR A 48 3.640 12.441 -29.264 1.00 51.45 H new ATOM 0 HA TYR A 48 1.569 11.682 -27.491 1.00 53.45 H new ATOM 0 HB2 TYR A 48 3.638 13.844 -27.905 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.353 14.220 -26.774 1.00 50.11 H new ATOM 0 HD1 TYR A 48 1.852 11.968 -25.181 1.00 54.41 H new ATOM 0 HD2 TYR A 48 5.583 13.139 -26.875 1.00 33.34 H new ATOM 0 HE1 TYR A 48 3.082 10.693 -23.370 1.00 15.30 H new ATOM 0 HE2 TYR A 48 6.800 11.862 -25.057 1.00 74.44 H new ATOM 0 HH TYR A 48 5.100 9.783 -22.882 1.00 3.35 H new ATOM 728 N THR A 49 0.139 14.026 -27.436 1.00 35.11 N ATOM 729 CA THR A 49 -1.021 14.872 -27.660 1.00 64.22 C ATOM 730 C THR A 49 -0.687 16.331 -27.344 1.00 54.14 C ATOM 731 O THR A 49 0.222 16.608 -26.564 1.00 75.51 O ATOM 732 CB THR A 49 -2.178 14.319 -26.824 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.610 14.122 -25.533 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.598 12.915 -27.263 1.00 63.01 C ATOM 0 H THR A 49 0.443 13.969 -26.464 1.00 35.11 H new ATOM 0 HA THR A 49 -1.322 14.860 -28.707 1.00 64.22 H new ATOM 0 HB THR A 49 -3.032 14.993 -26.895 1.00 13.11 H new ATOM 0 HG1 THR A 49 -2.321 13.921 -24.890 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.422 12.570 -26.638 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.918 12.940 -28.305 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.754 12.234 -27.160 1.00 63.01 H new ATOM 742 N ALA A 50 -1.441 17.225 -27.968 1.00 24.34 N ATOM 743 CA ALA A 50 -1.236 18.649 -27.763 1.00 24.32 C ATOM 744 C ALA A 50 -1.517 18.995 -26.300 1.00 54.32 C ATOM 745 O ALA A 50 -1.152 20.072 -25.832 1.00 62.11 O ATOM 746 CB ALA A 50 -2.123 19.436 -28.729 1.00 42.13 C ATOM 0 H ALA A 50 -2.194 16.991 -28.615 1.00 24.34 H new ATOM 0 HA ALA A 50 -0.202 18.922 -27.973 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -1.970 20.504 -28.576 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -1.864 19.176 -29.755 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -3.169 19.190 -28.546 1.00 42.13 H new ATOM 752 N ALA A 51 -2.164 18.062 -25.618 1.00 13.53 N ATOM 753 CA ALA A 51 -2.497 18.254 -24.217 1.00 20.33 C ATOM 754 C ALA A 51 -1.419 17.608 -23.346 1.00 71.23 C ATOM 755 O ALA A 51 -1.320 17.901 -22.155 1.00 42.11 O ATOM 756 CB ALA A 51 -3.889 17.682 -23.940 1.00 31.52 C ATOM 0 H ALA A 51 -2.467 17.170 -26.010 1.00 13.53 H new ATOM 0 HA ALA A 51 -2.525 19.316 -23.973 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -4.139 17.826 -22.889 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.623 18.195 -24.561 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -3.898 16.617 -24.172 1.00 31.52 H new ATOM 762 N ASN A 52 -0.637 16.742 -23.973 1.00 33.55 N ATOM 763 CA ASN A 52 0.431 16.052 -23.270 1.00 3.30 C ATOM 764 C ASN A 52 1.577 17.030 -23.006 1.00 32.21 C ATOM 765 O ASN A 52 1.890 17.329 -21.855 1.00 0.33 O ATOM 766 CB ASN A 52 0.981 14.894 -24.104 1.00 62.11 C ATOM 767 CG ASN A 52 2.286 14.361 -23.510 1.00 74.35 C ATOM 768 OD1 ASN A 52 3.323 14.327 -24.153 1.00 73.55 O ATOM 769 ND2 ASN A 52 2.179 13.948 -22.250 1.00 24.25 N ATOM 0 H ASN A 52 -0.722 16.502 -24.961 1.00 33.55 H new ATOM 0 HA ASN A 52 0.024 15.663 -22.337 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.244 14.092 -24.150 1.00 62.11 H new ATOM 0 HB3 ASN A 52 1.153 15.228 -25.127 1.00 62.11 H new ATOM 0 HD21 ASN A 52 2.995 13.575 -21.764 1.00 24.25 H new ATOM 0 HD22 ASN A 52 1.281 14.004 -21.769 1.00 24.25 H new ATOM 776 N LYS A 53 2.171 17.503 -24.092 1.00 51.52 N ATOM 777 CA LYS A 53 3.276 18.441 -23.992 1.00 63.12 C ATOM 778 C LYS A 53 2.795 19.717 -23.298 1.00 71.04 C ATOM 779 O LYS A 53 3.599 20.477 -22.761 1.00 34.03 O ATOM 780 CB LYS A 53 3.896 18.688 -25.369 1.00 51.14 C ATOM 781 CG LYS A 53 3.983 17.387 -26.172 1.00 72.33 C ATOM 782 CD LYS A 53 2.918 17.349 -27.269 1.00 61.33 C ATOM 783 CE LYS A 53 3.470 17.896 -28.588 1.00 25.12 C ATOM 784 NZ LYS A 53 2.367 18.357 -29.459 1.00 11.21 N1+ ATOM 0 H LYS A 53 1.908 17.254 -25.045 1.00 51.52 H new ATOM 0 HA LYS A 53 4.074 18.024 -23.378 1.00 63.12 H new ATOM 0 HB2 LYS A 53 3.298 19.418 -25.915 1.00 51.14 H new ATOM 0 HB3 LYS A 53 4.892 19.115 -25.252 1.00 51.14 H new ATOM 0 HG2 LYS A 53 4.973 17.296 -26.618 1.00 72.33 H new ATOM 0 HG3 LYS A 53 3.854 16.534 -25.505 1.00 72.33 H new ATOM 0 HD2 LYS A 53 2.574 16.325 -27.412 1.00 61.33 H new ATOM 0 HD3 LYS A 53 2.053 17.936 -26.961 1.00 61.33 H new ATOM 0 HE2 LYS A 53 4.153 18.722 -28.389 1.00 25.12 H new ATOM 0 HE3 LYS A 53 4.045 17.122 -29.097 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 2.758 18.725 -30.349 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 1.730 17.561 -29.664 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 1.836 19.110 -28.977 1.00 11.21 H new ATOM 797 N ASN A 54 1.484 19.911 -23.330 1.00 23.11 N ATOM 798 CA ASN A 54 0.886 21.082 -22.710 1.00 62.43 C ATOM 799 C ASN A 54 1.350 21.177 -21.256 1.00 74.05 C ATOM 800 O ASN A 54 1.992 22.152 -20.868 1.00 24.23 O ATOM 801 CB ASN A 54 -0.641 20.988 -22.714 1.00 40.12 C ATOM 802 CG ASN A 54 -1.276 22.364 -22.509 1.00 73.51 C ATOM 803 OD1 ASN A 54 -1.180 22.970 -21.455 1.00 23.41 O ATOM 804 ND2 ASN A 54 -1.928 22.822 -23.574 1.00 32.23 N ATOM 0 H ASN A 54 0.820 19.278 -23.775 1.00 23.11 H new ATOM 0 HA ASN A 54 1.195 21.959 -23.279 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -0.980 20.564 -23.659 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -0.969 20.311 -21.925 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -2.386 23.733 -23.539 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -1.970 22.263 -24.426 1.00 32.23 H new ATOM 811 N LYS A 55 1.008 20.150 -20.491 1.00 72.24 N ATOM 812 CA LYS A 55 1.382 20.106 -19.087 1.00 1.14 C ATOM 813 C LYS A 55 2.816 20.616 -18.929 1.00 53.42 C ATOM 814 O LYS A 55 3.034 21.732 -18.460 1.00 12.22 O ATOM 815 CB LYS A 55 1.162 18.703 -18.519 1.00 73.04 C ATOM 816 CG LYS A 55 0.506 18.768 -17.139 1.00 64.50 C ATOM 817 CD LYS A 55 -0.906 19.352 -17.229 1.00 75.50 C ATOM 818 CE LYS A 55 -1.000 20.677 -16.473 1.00 64.34 C ATOM 819 NZ LYS A 55 -1.887 21.622 -17.190 1.00 3.42 N1+ ATOM 0 H LYS A 55 0.476 19.343 -20.817 1.00 72.24 H new ATOM 0 HA LYS A 55 0.743 20.766 -18.501 1.00 1.14 H new ATOM 0 HB2 LYS A 55 0.534 18.126 -19.198 1.00 73.04 H new ATOM 0 HB3 LYS A 55 2.117 18.182 -18.448 1.00 73.04 H new ATOM 0 HG2 LYS A 55 0.463 17.769 -16.706 1.00 64.50 H new ATOM 0 HG3 LYS A 55 1.114 19.379 -16.472 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.174 19.506 -18.274 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -1.624 18.643 -16.817 1.00 75.50 H new ATOM 0 HE2 LYS A 55 -1.382 20.502 -15.467 1.00 64.34 H new ATOM 0 HE3 LYS A 55 -0.006 21.112 -16.365 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 -1.940 22.517 -16.663 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 -1.506 21.802 -18.141 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 -2.839 21.211 -17.271 1.00 3.42 H new ATOM 832 N GLY A 56 3.757 19.774 -19.331 1.00 41.10 N ATOM 833 CA GLY A 56 5.164 20.126 -19.241 1.00 23.55 C ATOM 834 C GLY A 56 5.638 20.118 -17.786 1.00 73.03 C ATOM 835 O GLY A 56 6.372 21.011 -17.364 1.00 71.12 O ATOM 0 H GLY A 56 3.573 18.849 -19.720 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.757 19.422 -19.825 1.00 23.55 H new ATOM 0 HA3 GLY A 56 5.324 21.113 -19.674 1.00 23.55 H new ATOM 839 N ILE A 57 5.200 19.101 -17.059 1.00 34.25 N ATOM 840 CA ILE A 57 5.570 18.966 -15.660 1.00 4.20 C ATOM 841 C ILE A 57 6.460 17.733 -15.490 1.00 44.42 C ATOM 842 O ILE A 57 6.605 16.935 -16.415 1.00 10.04 O ATOM 843 CB ILE A 57 4.323 18.950 -14.775 1.00 10.34 C ATOM 844 CG1 ILE A 57 3.427 17.755 -15.109 1.00 23.30 C ATOM 845 CG2 ILE A 57 3.567 20.277 -14.870 1.00 35.13 C ATOM 846 CD1 ILE A 57 4.098 16.439 -14.709 1.00 51.13 C ATOM 0 H ILE A 57 4.592 18.362 -17.412 1.00 34.25 H new ATOM 0 HA ILE A 57 6.152 19.828 -15.335 1.00 4.20 H new ATOM 0 HB ILE A 57 4.641 18.833 -13.739 1.00 10.34 H new ATOM 0 HG12 ILE A 57 2.474 17.854 -14.590 1.00 23.30 H new ATOM 0 HG13 ILE A 57 3.209 17.746 -16.177 1.00 23.30 H new ATOM 0 HG21 ILE A 57 2.684 20.240 -14.231 1.00 35.13 H new ATOM 0 HG22 ILE A 57 4.216 21.090 -14.544 1.00 35.13 H new ATOM 0 HG23 ILE A 57 3.261 20.448 -15.902 1.00 35.13 H new ATOM 0 HD11 ILE A 57 3.441 15.605 -14.957 1.00 51.13 H new ATOM 0 HD12 ILE A 57 5.039 16.332 -15.248 1.00 51.13 H new ATOM 0 HD13 ILE A 57 4.293 16.441 -13.637 1.00 51.13 H new ATOM 858 N ILE A 58 7.034 17.616 -14.301 1.00 31.21 N ATOM 859 CA ILE A 58 7.905 16.494 -13.999 1.00 43.43 C ATOM 860 C ILE A 58 7.091 15.391 -13.317 1.00 60.14 C ATOM 861 O ILE A 58 6.806 15.473 -12.123 1.00 21.20 O ATOM 862 CB ILE A 58 9.114 16.959 -13.183 1.00 45.12 C ATOM 863 CG1 ILE A 58 9.997 17.904 -14.002 1.00 53.42 C ATOM 864 CG2 ILE A 58 9.901 15.765 -12.639 1.00 60.01 C ATOM 865 CD1 ILE A 58 11.031 17.122 -14.813 1.00 11.43 C ATOM 0 H ILE A 58 6.912 18.280 -13.536 1.00 31.21 H new ATOM 0 HA ILE A 58 8.312 16.070 -14.917 1.00 43.43 H new ATOM 0 HB ILE A 58 8.750 17.522 -12.324 1.00 45.12 H new ATOM 0 HG12 ILE A 58 9.376 18.497 -14.673 1.00 53.42 H new ATOM 0 HG13 ILE A 58 10.504 18.602 -13.336 1.00 53.42 H new ATOM 0 HG21 ILE A 58 10.754 16.124 -12.063 1.00 60.01 H new ATOM 0 HG22 ILE A 58 9.256 15.166 -11.996 1.00 60.01 H new ATOM 0 HG23 ILE A 58 10.255 15.154 -13.469 1.00 60.01 H new ATOM 0 HD11 ILE A 58 11.645 17.817 -15.386 1.00 11.43 H new ATOM 0 HD12 ILE A 58 11.666 16.549 -14.137 1.00 11.43 H new ATOM 0 HD13 ILE A 58 10.520 16.442 -15.495 1.00 11.43 H new ATOM 877 N TRP A 59 6.741 14.386 -14.106 1.00 42.03 N ATOM 878 CA TRP A 59 5.967 13.268 -13.594 1.00 53.42 C ATOM 879 C TRP A 59 6.592 12.827 -12.270 1.00 35.14 C ATOM 880 O TRP A 59 7.749 13.137 -11.991 1.00 11.40 O ATOM 881 CB TRP A 59 5.888 12.139 -14.624 1.00 61.43 C ATOM 882 CG TRP A 59 4.977 12.445 -15.814 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.280 12.402 -17.118 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.590 12.845 -15.756 1.00 13.24 C ATOM 885 NE1 TRP A 59 4.196 12.743 -17.902 1.00 20.21 N ATOM 886 CE2 TRP A 59 3.137 13.021 -17.046 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.749 13.051 -14.648 1.00 30.40 C ATOM 888 CZ2 TRP A 59 1.827 13.412 -17.352 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.444 13.442 -14.970 1.00 15.13 C ATOM 890 CH2 TRP A 59 0.971 13.623 -16.264 1.00 21.05 C ATOM 0 H TRP A 59 6.979 14.323 -15.096 1.00 42.03 H new ATOM 0 HA TRP A 59 4.935 13.566 -13.409 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.891 11.927 -14.993 1.00 61.43 H new ATOM 0 HB3 TRP A 59 5.532 11.235 -14.130 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.251 12.134 -17.507 1.00 71.34 H new ATOM 0 HE1 TRP A 59 4.176 12.783 -18.921 1.00 20.21 H new ATOM 0 HE3 TRP A 59 3.083 12.918 -13.630 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.495 13.544 -18.371 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.756 13.615 -14.155 1.00 15.13 H new ATOM 0 HH2 TRP A 59 -0.053 13.925 -16.430 1.00 21.05 H new ATOM 901 N GLY A 60 5.799 12.109 -11.488 1.00 53.12 N ATOM 902 CA GLY A 60 6.260 11.622 -10.199 1.00 65.12 C ATOM 903 C GLY A 60 5.110 10.997 -9.406 1.00 54.35 C ATOM 904 O GLY A 60 4.190 10.424 -9.986 1.00 52.13 O ATOM 0 H GLY A 60 4.840 11.853 -11.722 1.00 53.12 H new ATOM 0 HA2 GLY A 60 7.049 10.884 -10.346 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.695 12.444 -9.630 1.00 65.12 H new ATOM 908 N GLU A 61 5.200 11.131 -8.090 1.00 1.21 N ATOM 909 CA GLU A 61 4.179 10.587 -7.211 1.00 74.52 C ATOM 910 C GLU A 61 3.079 11.623 -6.971 1.00 21.13 C ATOM 911 O GLU A 61 1.981 11.277 -6.536 1.00 72.12 O ATOM 912 CB GLU A 61 4.788 10.118 -5.887 1.00 44.23 C ATOM 913 CG GLU A 61 6.122 9.405 -6.120 1.00 1.31 C ATOM 914 CD GLU A 61 7.291 10.388 -6.037 1.00 23.15 C ATOM 915 OE1 GLU A 61 7.924 10.686 -7.060 1.00 64.15 O ATOM 916 OE2 GLU A 61 7.532 10.849 -4.856 1.00 43.33 O1- ATOM 0 H GLU A 61 5.964 11.608 -7.612 1.00 1.21 H new ATOM 0 HA GLU A 61 3.734 9.718 -7.697 1.00 74.52 H new ATOM 0 HB2 GLU A 61 4.939 10.973 -5.229 1.00 44.23 H new ATOM 0 HB3 GLU A 61 4.095 9.445 -5.382 1.00 44.23 H new ATOM 0 HG2 GLU A 61 6.252 8.617 -5.378 1.00 1.31 H new ATOM 0 HG3 GLU A 61 6.115 8.924 -7.098 1.00 1.31 H new ATOM 924 N ASP A 62 3.410 12.871 -7.266 1.00 52.34 N ATOM 925 CA ASP A 62 2.463 13.959 -7.089 1.00 22.22 C ATOM 926 C ASP A 62 1.693 14.176 -8.393 1.00 44.15 C ATOM 927 O ASP A 62 0.491 13.923 -8.458 1.00 22.13 O ATOM 928 CB ASP A 62 3.183 15.263 -6.741 1.00 1.41 C ATOM 929 CG ASP A 62 3.633 15.384 -5.283 1.00 52.20 C ATOM 930 OD1 ASP A 62 4.134 16.435 -4.855 1.00 2.01 O ATOM 931 OD2 ASP A 62 3.450 14.328 -4.567 1.00 21.24 O1- ATOM 0 H ASP A 62 4.321 13.154 -7.627 1.00 52.34 H new ATOM 0 HA ASP A 62 1.789 13.691 -6.276 1.00 22.22 H new ATOM 0 HB2 ASP A 62 4.057 15.361 -7.385 1.00 1.41 H new ATOM 0 HB3 ASP A 62 2.522 16.098 -6.972 1.00 1.41 H new ATOM 937 N THR A 63 2.417 14.645 -9.399 1.00 72.52 N ATOM 938 CA THR A 63 1.817 14.900 -10.697 1.00 21.51 C ATOM 939 C THR A 63 0.862 13.767 -11.075 1.00 21.32 C ATOM 940 O THR A 63 -0.109 13.983 -11.799 1.00 40.52 O ATOM 941 CB THR A 63 2.947 15.106 -11.708 1.00 0.41 C ATOM 942 OG1 THR A 63 3.933 14.151 -11.325 1.00 52.45 O ATOM 943 CG2 THR A 63 3.648 16.454 -11.537 1.00 31.44 C ATOM 0 H THR A 63 3.413 14.855 -9.341 1.00 72.52 H new ATOM 0 HA THR A 63 1.208 15.804 -10.681 1.00 21.51 H new ATOM 0 HB THR A 63 2.547 15.031 -12.719 1.00 0.41 H new ATOM 0 HG1 THR A 63 4.802 14.595 -11.239 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.441 16.549 -12.279 1.00 31.44 H new ATOM 0 HG22 THR A 63 2.926 17.259 -11.673 1.00 31.44 H new ATOM 0 HG23 THR A 63 4.078 16.516 -10.537 1.00 31.44 H new ATOM 951 N LEU A 64 1.171 12.582 -10.569 1.00 13.22 N ATOM 952 CA LEU A 64 0.352 11.414 -10.844 1.00 63.53 C ATOM 953 C LEU A 64 -0.891 11.446 -9.953 1.00 64.34 C ATOM 954 O LEU A 64 -2.011 11.575 -10.447 1.00 55.10 O ATOM 955 CB LEU A 64 1.178 10.134 -10.702 1.00 44.42 C ATOM 956 CG LEU A 64 2.236 9.895 -11.780 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.046 8.632 -11.483 1.00 64.04 C ATOM 958 CD2 LEU A 64 1.601 9.854 -13.172 1.00 52.11 C ATOM 0 H LEU A 64 1.978 12.406 -9.970 1.00 13.22 H new ATOM 0 HA LEU A 64 0.004 11.428 -11.877 1.00 63.53 H new ATOM 0 HB2 LEU A 64 1.674 10.151 -9.732 1.00 44.42 H new ATOM 0 HB3 LEU A 64 0.496 9.284 -10.696 1.00 44.42 H new ATOM 0 HG LEU A 64 2.932 10.734 -11.767 1.00 60.21 H new ATOM 0 HD11 LEU A 64 3.791 8.485 -12.265 1.00 64.04 H new ATOM 0 HD12 LEU A 64 3.546 8.739 -10.520 1.00 64.04 H new ATOM 0 HD13 LEU A 64 2.379 7.771 -11.452 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.375 9.683 -13.920 1.00 52.11 H new ATOM 0 HD22 LEU A 64 0.870 9.047 -13.215 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.105 10.803 -13.374 1.00 52.11 H new ATOM 970 N MET A 65 -0.653 11.326 -8.655 1.00 33.24 N ATOM 971 CA MET A 65 -1.740 11.340 -7.691 1.00 54.13 C ATOM 972 C MET A 65 -2.818 12.346 -8.094 1.00 25.33 C ATOM 973 O MET A 65 -3.995 12.156 -7.789 1.00 22.02 O ATOM 974 CB MET A 65 -1.191 11.705 -6.309 1.00 42.51 C ATOM 975 CG MET A 65 -2.130 11.222 -5.202 1.00 50.02 C ATOM 976 SD MET A 65 -1.195 10.860 -3.724 1.00 13.13 S ATOM 977 CE MET A 65 -1.205 9.076 -3.779 1.00 15.21 C ATOM 0 H MET A 65 0.276 11.219 -8.249 1.00 33.24 H new ATOM 0 HA MET A 65 -2.189 10.347 -7.664 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.206 11.259 -6.176 1.00 42.51 H new ATOM 0 HB3 MET A 65 -1.064 12.785 -6.238 1.00 42.51 H new ATOM 0 HG2 MET A 65 -2.879 11.985 -4.991 1.00 50.02 H new ATOM 0 HG3 MET A 65 -2.666 10.331 -5.531 1.00 50.02 H new ATOM 0 HE1 MET A 65 -1.347 8.682 -2.773 1.00 15.21 H new ATOM 0 HE2 MET A 65 -2.019 8.736 -4.420 1.00 15.21 H new ATOM 0 HE3 MET A 65 -0.256 8.719 -4.178 1.00 15.21 H new ATOM 987 N GLU A 66 -2.380 13.395 -8.774 1.00 74.14 N ATOM 988 CA GLU A 66 -3.294 14.432 -9.223 1.00 73.33 C ATOM 989 C GLU A 66 -3.837 14.096 -10.613 1.00 2.43 C ATOM 990 O GLU A 66 -5.040 14.184 -10.851 1.00 72.31 O ATOM 991 CB GLU A 66 -2.613 15.803 -9.217 1.00 53.20 C ATOM 992 CG GLU A 66 -3.641 16.925 -9.375 1.00 12.14 C ATOM 993 CD GLU A 66 -2.989 18.296 -9.179 1.00 45.11 C ATOM 994 OE1 GLU A 66 -3.491 19.302 -9.704 1.00 41.11 O ATOM 995 OE2 GLU A 66 -1.924 18.295 -8.451 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.404 13.549 -9.025 1.00 74.14 H new ATOM 0 HA GLU A 66 -4.132 14.476 -8.528 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -2.064 15.936 -8.285 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -1.885 15.855 -10.026 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -4.094 16.872 -10.365 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.444 16.793 -8.650 1.00 12.14 H new ATOM 1003 N TYR A 67 -2.923 13.718 -11.495 1.00 23.00 N ATOM 1004 CA TYR A 67 -3.295 13.368 -12.855 1.00 3.25 C ATOM 1005 C TYR A 67 -4.199 12.133 -12.876 1.00 54.14 C ATOM 1006 O TYR A 67 -5.335 12.198 -13.343 1.00 20.25 O ATOM 1007 CB TYR A 67 -1.988 13.041 -13.580 1.00 71.14 C ATOM 1008 CG TYR A 67 -2.181 12.499 -14.997 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -3.268 12.898 -15.747 1.00 40.42 C ATOM 1010 CD2 TYR A 67 -1.267 11.609 -15.526 1.00 64.21 C ATOM 1011 CE1 TYR A 67 -3.450 12.388 -17.081 1.00 20.05 C ATOM 1012 CE2 TYR A 67 -1.449 11.099 -16.860 1.00 44.34 C ATOM 1013 CZ TYR A 67 -2.530 11.513 -17.572 1.00 2.03 C ATOM 1014 OH TYR A 67 -2.702 11.031 -18.832 1.00 60.35 O ATOM 0 H TYR A 67 -1.926 13.647 -11.294 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.840 14.186 -13.326 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.375 13.941 -13.627 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.433 12.308 -12.994 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -3.983 13.594 -15.333 1.00 40.42 H new ATOM 0 HD2 TYR A 67 -0.416 11.296 -14.939 1.00 64.21 H new ATOM 0 HE1 TYR A 67 -4.297 12.693 -17.678 1.00 20.05 H new ATOM 0 HE2 TYR A 67 -0.742 10.403 -17.286 1.00 44.34 H new ATOM 0 HH TYR A 67 -2.019 11.411 -19.424 1.00 60.35 H new ATOM 1024 N LEU A 68 -3.659 11.036 -12.364 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.402 9.788 -12.318 1.00 1.14 C ATOM 1026 C LEU A 68 -5.854 10.078 -11.932 1.00 70.03 C ATOM 1027 O LEU A 68 -6.781 9.650 -12.619 1.00 54.01 O ATOM 1028 CB LEU A 68 -3.709 8.785 -11.394 1.00 71.15 C ATOM 1029 CG LEU A 68 -2.663 7.880 -12.050 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -1.684 7.331 -11.011 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -3.331 6.764 -12.854 1.00 54.34 C ATOM 0 H LEU A 68 -2.716 10.986 -11.978 1.00 23.24 H new ATOM 0 HA LEU A 68 -4.420 9.319 -13.302 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -3.228 9.337 -10.587 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -4.472 8.154 -10.938 1.00 71.15 H new ATOM 0 HG LEU A 68 -2.084 8.480 -12.752 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -0.952 6.691 -11.503 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -1.172 8.159 -10.521 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -2.230 6.751 -10.267 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -2.566 6.136 -13.310 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -3.950 6.159 -12.192 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -3.954 7.201 -13.635 1.00 54.34 H new ATOM 1043 N GLU A 69 -6.007 10.803 -10.833 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.330 11.155 -10.348 1.00 44.21 C ATOM 1045 C GLU A 69 -8.255 11.489 -11.520 1.00 21.20 C ATOM 1046 O GLU A 69 -9.295 10.858 -11.694 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.259 12.318 -9.356 1.00 23.33 C ATOM 1048 CG GLU A 69 -8.639 12.625 -8.771 1.00 33.31 C ATOM 1049 CD GLU A 69 -9.022 11.600 -7.702 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -8.848 11.860 -6.502 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -9.517 10.499 -8.156 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.237 11.156 -10.265 1.00 20.13 H new ATOM 0 HA GLU A 69 -7.742 10.295 -9.820 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -6.566 12.073 -8.552 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -6.867 13.204 -9.856 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -8.640 13.625 -8.338 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -9.384 12.622 -9.567 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.841 12.482 -12.293 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.619 12.908 -13.444 1.00 10.35 C ATOM 1061 C ASN A 70 -7.671 13.299 -14.579 1.00 50.13 C ATOM 1062 O ASN A 70 -7.155 14.415 -14.607 1.00 4.21 O ATOM 1063 CB ASN A 70 -9.479 14.128 -13.107 1.00 54.31 C ATOM 1064 CG ASN A 70 -8.810 14.991 -12.034 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -9.142 14.938 -10.862 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -7.852 15.787 -12.501 1.00 64.01 N ATOM 0 H ASN A 70 -6.977 13.004 -12.145 1.00 12.20 H new ATOM 0 HA ASN A 70 -9.265 12.081 -13.738 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -9.643 14.722 -14.006 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -10.459 13.802 -12.758 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -7.345 16.403 -11.865 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -7.624 15.782 -13.495 1.00 64.01 H new ATOM 1073 N PRO A 71 -7.463 12.331 -15.512 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.585 12.562 -16.647 1.00 62.33 C ATOM 1075 C PRO A 71 -7.256 13.467 -17.683 1.00 21.13 C ATOM 1076 O PRO A 71 -6.580 14.070 -18.516 1.00 13.34 O ATOM 1077 CB PRO A 71 -6.266 11.177 -17.186 1.00 51.50 C ATOM 1078 CG PRO A 71 -7.339 10.255 -16.628 1.00 20.32 C ATOM 1079 CD PRO A 71 -8.056 10.997 -15.512 1.00 43.43 C ATOM 0 HA PRO A 71 -5.671 13.088 -16.372 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -6.274 11.171 -18.276 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -5.273 10.855 -16.873 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -8.042 9.970 -17.410 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -6.893 9.335 -16.250 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -9.130 11.041 -15.692 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -7.914 10.501 -14.552 1.00 43.43 H new ATOM 1087 N LYS A 72 -8.576 13.532 -17.599 1.00 52.22 N ATOM 1088 CA LYS A 72 -9.345 14.353 -18.519 1.00 43.01 C ATOM 1089 C LYS A 72 -9.129 15.829 -18.181 1.00 54.30 C ATOM 1090 O LYS A 72 -9.087 16.675 -19.074 1.00 52.53 O ATOM 1091 CB LYS A 72 -10.815 13.929 -18.515 1.00 3.34 C ATOM 1092 CG LYS A 72 -11.719 15.081 -18.958 1.00 13.21 C ATOM 1093 CD LYS A 72 -12.853 14.575 -19.852 1.00 21.22 C ATOM 1094 CE LYS A 72 -12.317 14.113 -21.209 1.00 74.53 C ATOM 1095 NZ LYS A 72 -12.369 15.220 -22.190 1.00 65.43 N1+ ATOM 0 H LYS A 72 -9.133 13.030 -16.908 1.00 52.22 H new ATOM 0 HA LYS A 72 -8.998 14.206 -19.542 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -10.953 13.077 -19.181 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -11.100 13.602 -17.515 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -12.136 15.578 -18.082 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -11.130 15.824 -19.496 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -13.368 13.750 -19.360 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -13.587 15.367 -19.998 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -11.291 13.762 -21.101 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -12.905 13.270 -21.571 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -12.002 14.890 -23.105 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -13.353 15.536 -22.305 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -11.789 16.013 -21.850 1.00 65.43 H new ATOM 1108 N LYS A 73 -9.001 16.095 -16.889 1.00 54.43 N ATOM 1109 CA LYS A 73 -8.790 17.455 -16.422 1.00 14.10 C ATOM 1110 C LYS A 73 -7.312 17.818 -16.573 1.00 65.14 C ATOM 1111 O LYS A 73 -6.944 18.578 -17.469 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.322 17.619 -14.997 1.00 44.31 C ATOM 1113 CG LYS A 73 -10.810 17.972 -15.003 1.00 44.45 C ATOM 1114 CD LYS A 73 -11.670 16.718 -15.176 1.00 21.13 C ATOM 1115 CE LYS A 73 -13.056 17.075 -15.716 1.00 32.30 C ATOM 1116 NZ LYS A 73 -13.882 15.855 -15.871 1.00 11.51 N1+ ATOM 0 H LYS A 73 -9.039 15.392 -16.151 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.355 18.160 -17.032 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -9.166 16.696 -14.439 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -8.762 18.400 -14.484 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -11.073 18.472 -14.071 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -11.018 18.674 -15.810 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -11.177 16.026 -15.858 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -11.769 16.206 -14.219 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -13.549 17.771 -15.038 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -12.959 17.581 -16.677 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -14.726 16.077 -16.436 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -13.327 15.119 -16.352 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -14.174 15.512 -14.934 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.504 17.260 -15.684 1.00 0.35 N ATOM 1130 CA TYR A 74 -5.074 17.516 -15.707 1.00 13.35 C ATOM 1131 C TYR A 74 -4.554 17.592 -17.143 1.00 21.32 C ATOM 1132 O TYR A 74 -3.844 18.530 -17.503 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.421 16.326 -15.003 1.00 41.13 C ATOM 1134 CG TYR A 74 -3.117 16.670 -14.279 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -1.926 16.689 -14.977 1.00 53.12 C ATOM 1136 CD2 TYR A 74 -3.131 16.961 -12.930 1.00 25.24 C ATOM 1137 CE1 TYR A 74 -0.698 17.012 -14.296 1.00 44.42 C ATOM 1138 CE2 TYR A 74 -1.904 17.285 -12.250 1.00 2.04 C ATOM 1139 CZ TYR A 74 -0.748 17.294 -12.967 1.00 54.11 C ATOM 1140 OH TYR A 74 0.411 17.600 -12.325 1.00 35.30 O ATOM 0 H TYR A 74 -6.813 16.631 -14.943 1.00 0.35 H new ATOM 0 HA TYR A 74 -4.846 18.465 -15.222 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -5.126 15.912 -14.283 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.222 15.547 -15.738 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -1.915 16.462 -16.033 1.00 53.12 H new ATOM 0 HD2 TYR A 74 -4.063 16.946 -12.384 1.00 25.24 H new ATOM 0 HE1 TYR A 74 0.241 17.030 -14.829 1.00 44.42 H new ATOM 0 HE2 TYR A 74 -1.901 17.516 -11.195 1.00 2.04 H new ATOM 0 HH TYR A 74 0.224 17.780 -11.380 1.00 35.30 H new ATOM 1150 N ILE A 75 -4.927 16.590 -17.927 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.506 16.530 -19.317 1.00 45.04 C ATOM 1152 C ILE A 75 -5.737 16.612 -20.222 1.00 31.42 C ATOM 1153 O ILE A 75 -6.280 15.588 -20.633 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.643 15.291 -19.564 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.548 15.165 -18.503 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -3.070 15.295 -20.982 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.300 15.954 -18.906 1.00 44.21 C ATOM 0 H ILE A 75 -5.516 15.814 -17.626 1.00 53.34 H new ATOM 0 HA ILE A 75 -3.873 17.384 -19.560 1.00 45.04 H new ATOM 0 HB ILE A 75 -4.278 14.410 -19.477 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -2.920 15.530 -17.546 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -2.290 14.115 -18.365 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -2.461 14.403 -21.131 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.886 15.301 -21.704 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -2.454 16.183 -21.123 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -0.537 15.847 -18.135 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -0.916 15.570 -19.851 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -1.556 17.007 -19.020 1.00 44.21 H new ATOM 1169 N PRO A 76 -6.153 17.875 -20.513 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.310 18.104 -21.361 1.00 71.30 C ATOM 1171 C PRO A 76 -6.974 17.838 -22.830 1.00 33.42 C ATOM 1172 O PRO A 76 -6.328 18.658 -23.481 1.00 1.33 O ATOM 1173 CB PRO A 76 -7.712 19.545 -21.096 1.00 24.03 C ATOM 1174 CG PRO A 76 -6.499 20.208 -20.466 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.535 19.111 -20.045 1.00 71.25 C ATOM 0 HA PRO A 76 -8.135 17.427 -21.139 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -7.995 20.048 -22.021 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -8.573 19.594 -20.430 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -6.022 20.884 -21.176 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -6.795 20.807 -19.605 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -4.551 19.256 -20.492 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.396 19.100 -18.964 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.428 16.690 -23.310 1.00 72.13 N ATOM 1184 CA GLY A 77 -7.184 16.305 -24.689 1.00 33.14 C ATOM 1185 C GLY A 77 -6.450 14.965 -24.764 1.00 34.12 C ATOM 1186 O GLY A 77 -6.084 14.514 -25.848 1.00 30.24 O ATOM 0 H GLY A 77 -7.964 16.013 -22.767 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -8.131 16.235 -25.223 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.594 17.075 -25.186 1.00 33.14 H new ATOM 1190 N THR A 78 -6.255 14.368 -23.598 1.00 72.54 N ATOM 1191 CA THR A 78 -5.571 13.088 -23.517 1.00 22.21 C ATOM 1192 C THR A 78 -6.442 11.979 -24.110 1.00 2.52 C ATOM 1193 O THR A 78 -7.600 11.824 -23.728 1.00 4.33 O ATOM 1194 CB THR A 78 -5.192 12.846 -22.054 1.00 14.31 C ATOM 1195 OG1 THR A 78 -4.031 12.022 -22.129 1.00 2.22 O ATOM 1196 CG2 THR A 78 -6.217 11.981 -21.319 1.00 64.23 C ATOM 0 H THR A 78 -6.559 14.747 -22.701 1.00 72.54 H new ATOM 0 HA THR A 78 -4.656 13.091 -24.109 1.00 22.21 H new ATOM 0 HB THR A 78 -5.092 13.803 -21.541 1.00 14.31 H new ATOM 0 HG1 THR A 78 -3.819 11.674 -21.238 1.00 2.22 H new ATOM 0 HG21 THR A 78 -5.900 11.840 -20.286 1.00 64.23 H new ATOM 0 HG22 THR A 78 -7.189 12.474 -21.336 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.294 11.011 -21.810 1.00 64.23 H new ATOM 1204 N LYS A 79 -5.850 11.237 -25.034 1.00 44.33 N ATOM 1205 CA LYS A 79 -6.557 10.147 -25.685 1.00 42.52 C ATOM 1206 C LYS A 79 -6.613 8.945 -24.740 1.00 41.14 C ATOM 1207 O LYS A 79 -7.395 8.020 -24.951 1.00 0.42 O ATOM 1208 CB LYS A 79 -5.925 9.832 -27.042 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.405 9.709 -26.924 1.00 62.22 C ATOM 1210 CD LYS A 79 -3.828 8.902 -28.089 1.00 44.22 C ATOM 1211 CE LYS A 79 -2.422 9.387 -28.449 1.00 74.45 C ATOM 1212 NZ LYS A 79 -1.617 8.276 -29.002 1.00 73.00 N1+ ATOM 0 H LYS A 79 -4.888 11.369 -25.348 1.00 44.33 H new ATOM 0 HA LYS A 79 -7.586 10.435 -25.898 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -6.339 8.903 -27.433 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -6.176 10.618 -27.755 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -3.956 10.702 -26.908 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -4.148 9.227 -25.981 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -3.795 7.845 -27.823 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -4.481 8.992 -28.957 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -2.485 10.196 -29.177 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -1.933 9.793 -27.563 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -0.666 8.622 -29.241 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -1.542 7.517 -28.295 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -2.077 7.907 -29.859 1.00 73.00 H new ATOM 1225 N MET A 80 -5.773 8.998 -23.715 1.00 72.20 N ATOM 1226 CA MET A 80 -5.717 7.926 -22.737 1.00 50.41 C ATOM 1227 C MET A 80 -7.108 7.621 -22.177 1.00 72.11 C ATOM 1228 O MET A 80 -7.688 8.442 -21.468 1.00 14.12 O ATOM 1229 CB MET A 80 -4.782 8.326 -21.593 1.00 3.55 C ATOM 1230 CG MET A 80 -4.966 7.403 -20.387 1.00 30.15 C ATOM 1231 SD MET A 80 -3.588 7.583 -19.266 1.00 1.13 S ATOM 1232 CE MET A 80 -4.464 7.713 -17.717 1.00 62.42 C ATOM 0 H MET A 80 -5.126 9.767 -23.542 1.00 72.20 H new ATOM 0 HA MET A 80 -5.340 7.030 -23.230 1.00 50.41 H new ATOM 0 HB2 MET A 80 -3.747 8.284 -21.933 1.00 3.55 H new ATOM 0 HB3 MET A 80 -4.980 9.357 -21.300 1.00 3.55 H new ATOM 0 HG2 MET A 80 -5.897 7.643 -19.874 1.00 30.15 H new ATOM 0 HG3 MET A 80 -5.043 6.368 -20.719 1.00 30.15 H new ATOM 0 HE1 MET A 80 -3.749 7.849 -16.905 1.00 62.42 H new ATOM 0 HE2 MET A 80 -5.141 8.567 -17.752 1.00 62.42 H new ATOM 0 HE3 MET A 80 -5.038 6.802 -17.546 1.00 62.42 H new ATOM 1242 N ILE A 81 -7.602 6.440 -22.517 1.00 13.21 N ATOM 1243 CA ILE A 81 -8.914 6.018 -22.057 1.00 23.44 C ATOM 1244 C ILE A 81 -8.817 5.567 -20.597 1.00 45.24 C ATOM 1245 O ILE A 81 -8.298 4.490 -20.310 1.00 72.32 O ATOM 1246 CB ILE A 81 -9.492 4.953 -22.991 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -9.861 5.558 -24.348 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -10.678 4.239 -22.341 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -10.914 6.657 -24.191 1.00 54.13 C ATOM 0 H ILE A 81 -7.118 5.762 -23.105 1.00 13.21 H new ATOM 0 HA ILE A 81 -9.615 6.852 -22.089 1.00 23.44 H new ATOM 0 HB ILE A 81 -8.723 4.201 -23.170 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -8.969 5.969 -24.821 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -10.241 4.777 -25.007 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -11.070 3.487 -23.026 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -10.352 3.756 -21.420 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -11.459 4.964 -22.113 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -11.158 7.070 -25.170 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -11.813 6.238 -23.740 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -10.522 7.448 -23.551 1.00 54.13 H new ATOM 1261 N PHE A 82 -9.324 6.416 -19.715 1.00 75.01 N ATOM 1262 CA PHE A 82 -9.301 6.118 -18.292 1.00 45.32 C ATOM 1263 C PHE A 82 -10.239 7.050 -17.523 1.00 15.33 C ATOM 1264 O PHE A 82 -10.122 8.270 -17.618 1.00 42.22 O ATOM 1265 CB PHE A 82 -7.867 6.345 -17.811 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.454 5.452 -16.640 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -7.361 4.106 -16.811 1.00 11.34 C ATOM 1268 CD2 PHE A 82 -7.182 6.003 -15.427 1.00 71.04 C ATOM 1269 CE1 PHE A 82 -6.978 3.276 -15.724 1.00 13.13 C ATOM 1270 CE2 PHE A 82 -6.799 5.174 -14.340 1.00 71.25 C ATOM 1271 CZ PHE A 82 -6.706 3.828 -14.511 1.00 22.42 C ATOM 0 H PHE A 82 -9.753 7.309 -19.957 1.00 75.01 H new ATOM 0 HA PHE A 82 -9.630 5.093 -18.120 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -7.184 6.174 -18.643 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.755 7.388 -17.516 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -7.579 3.668 -17.774 1.00 11.34 H new ATOM 0 HD2 PHE A 82 -7.257 7.072 -15.290 1.00 71.04 H new ATOM 0 HE1 PHE A 82 -6.903 2.207 -15.860 1.00 13.13 H new ATOM 0 HE2 PHE A 82 -6.581 5.612 -13.377 1.00 71.25 H new ATOM 0 HZ PHE A 82 -6.416 3.197 -13.684 1.00 22.42 H new ATOM 1281 N VAL A 83 -11.147 6.439 -16.776 1.00 43.41 N ATOM 1282 CA VAL A 83 -12.104 7.199 -15.990 1.00 44.03 C ATOM 1283 C VAL A 83 -11.391 7.821 -14.788 1.00 4.21 C ATOM 1284 O VAL A 83 -11.905 8.751 -14.170 1.00 54.11 O ATOM 1285 CB VAL A 83 -13.280 6.305 -15.591 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -13.974 5.728 -16.826 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -12.825 5.190 -14.646 1.00 35.41 C ATOM 0 H VAL A 83 -11.240 5.426 -16.699 1.00 43.41 H new ATOM 0 HA VAL A 83 -12.519 8.016 -16.580 1.00 44.03 H new ATOM 0 HB VAL A 83 -14.004 6.922 -15.058 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -14.806 5.097 -16.514 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -14.349 6.542 -17.446 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -13.262 5.134 -17.399 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -13.680 4.569 -14.378 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -12.073 4.577 -15.142 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -12.398 5.629 -13.744 1.00 35.41 H new ATOM 1297 N GLY A 84 -10.217 7.281 -14.493 1.00 4.04 N ATOM 1298 CA GLY A 84 -9.428 7.771 -13.376 1.00 52.24 C ATOM 1299 C GLY A 84 -9.672 6.931 -12.121 1.00 70.24 C ATOM 1300 O GLY A 84 -10.634 6.168 -12.058 1.00 15.11 O ATOM 0 H GLY A 84 -9.794 6.509 -15.008 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -8.370 7.745 -13.635 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -9.682 8.812 -13.176 1.00 52.24 H new ATOM 1304 N ILE A 85 -8.784 7.100 -11.152 1.00 33.41 N ATOM 1305 CA ILE A 85 -8.891 6.367 -9.902 1.00 44.34 C ATOM 1306 C ILE A 85 -9.341 7.320 -8.793 1.00 34.42 C ATOM 1307 O ILE A 85 -8.645 8.285 -8.480 1.00 13.31 O ATOM 1308 CB ILE A 85 -7.582 5.638 -9.594 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.213 4.672 -10.721 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -7.651 4.936 -8.237 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -5.703 4.430 -10.765 1.00 62.43 C ATOM 0 H ILE A 85 -7.987 7.734 -11.208 1.00 33.41 H new ATOM 0 HA ILE A 85 -9.650 5.589 -9.981 1.00 44.34 H new ATOM 0 HB ILE A 85 -6.785 6.379 -9.533 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -7.732 3.725 -10.577 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -7.548 5.077 -11.676 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -6.708 4.426 -8.043 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -7.832 5.673 -7.455 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -8.462 4.208 -8.245 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -5.469 3.740 -11.575 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -5.188 5.376 -10.933 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -5.375 4.002 -9.818 1.00 62.43 H new ATOM 1323 N LYS A 86 -10.500 7.016 -8.229 1.00 65.04 N ATOM 1324 CA LYS A 86 -11.050 7.834 -7.161 1.00 4.54 C ATOM 1325 C LYS A 86 -10.247 7.601 -5.881 1.00 23.40 C ATOM 1326 O LYS A 86 -9.462 8.456 -5.473 1.00 42.24 O ATOM 1327 CB LYS A 86 -12.550 7.571 -7.003 1.00 51.42 C ATOM 1328 CG LYS A 86 -13.281 7.745 -8.336 1.00 2.32 C ATOM 1329 CD LYS A 86 -14.568 6.920 -8.368 1.00 43.02 C ATOM 1330 CE LYS A 86 -14.992 6.619 -9.808 1.00 63.30 C ATOM 1331 NZ LYS A 86 -13.897 5.942 -10.540 1.00 13.13 N1+ ATOM 0 H LYS A 86 -11.074 6.215 -8.491 1.00 65.04 H new ATOM 0 HA LYS A 86 -10.959 8.892 -7.406 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -12.708 6.560 -6.627 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -12.967 8.255 -6.264 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -13.516 8.798 -8.491 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -12.629 7.440 -9.155 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -14.419 5.986 -7.826 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -15.364 7.461 -7.857 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -15.881 5.989 -9.807 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -15.259 7.546 -10.316 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -14.297 5.367 -11.309 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -13.254 6.655 -10.939 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -13.370 5.328 -9.886 1.00 13.13 H new ATOM 1344 N LYS A 87 -10.470 6.441 -5.283 1.00 14.22 N ATOM 1345 CA LYS A 87 -9.777 6.085 -4.057 1.00 74.32 C ATOM 1346 C LYS A 87 -8.278 6.331 -4.234 1.00 52.11 C ATOM 1347 O LYS A 87 -7.667 5.813 -5.168 1.00 61.33 O ATOM 1348 CB LYS A 87 -10.121 4.652 -3.643 1.00 24.34 C ATOM 1349 CG LYS A 87 -11.414 4.613 -2.825 1.00 3.32 C ATOM 1350 CD LYS A 87 -12.641 4.651 -3.738 1.00 34.24 C ATOM 1351 CE LYS A 87 -13.926 4.430 -2.939 1.00 64.11 C ATOM 1352 NZ LYS A 87 -13.926 5.264 -1.717 1.00 73.24 N1+ ATOM 0 H LYS A 87 -11.122 5.735 -5.625 1.00 14.22 H new ATOM 0 HA LYS A 87 -10.109 6.718 -3.234 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -10.229 4.029 -4.531 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -9.303 4.233 -3.057 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -11.437 3.709 -2.217 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -11.440 5.460 -2.139 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -12.688 5.612 -4.250 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -12.550 3.884 -4.507 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -14.791 4.677 -3.555 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -14.017 3.378 -2.668 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -14.896 5.344 -1.351 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -13.319 4.824 -0.996 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -13.562 6.212 -1.943 1.00 73.24 H new ATOM 1365 N LYS A 88 -7.728 7.122 -3.324 1.00 3.10 N ATOM 1366 CA LYS A 88 -6.312 7.442 -3.368 1.00 50.44 C ATOM 1367 C LYS A 88 -5.497 6.166 -3.151 1.00 62.35 C ATOM 1368 O LYS A 88 -4.477 5.957 -3.807 1.00 5.43 O ATOM 1369 CB LYS A 88 -5.983 8.557 -2.374 1.00 32.15 C ATOM 1370 CG LYS A 88 -4.474 8.663 -2.146 1.00 53.14 C ATOM 1371 CD LYS A 88 -4.028 7.753 -1.000 1.00 21.14 C ATOM 1372 CE LYS A 88 -4.222 8.439 0.353 1.00 11.43 C ATOM 1373 NZ LYS A 88 -5.634 8.347 0.784 1.00 32.04 N1+ ATOM 0 H LYS A 88 -8.238 7.551 -2.552 1.00 3.10 H new ATOM 0 HA LYS A 88 -6.041 7.831 -4.350 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -6.365 9.507 -2.748 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -6.485 8.363 -1.426 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -3.945 8.390 -3.059 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -4.208 9.696 -1.920 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -4.598 6.824 -1.026 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -2.979 7.487 -1.130 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -3.577 7.974 1.099 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -3.925 9.485 0.283 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -5.682 8.363 1.823 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -6.167 9.153 0.400 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -6.047 7.460 0.432 1.00 32.04 H new ATOM 1386 N GLU A 89 -5.977 5.344 -2.229 1.00 24.00 N ATOM 1387 CA GLU A 89 -5.307 4.094 -1.918 1.00 53.30 C ATOM 1388 C GLU A 89 -4.992 3.325 -3.203 1.00 33.12 C ATOM 1389 O GLU A 89 -3.978 2.635 -3.286 1.00 21.33 O ATOM 1390 CB GLU A 89 -6.147 3.244 -0.963 1.00 23.22 C ATOM 1391 CG GLU A 89 -6.369 3.970 0.366 1.00 22.23 C ATOM 1392 CD GLU A 89 -5.254 3.646 1.362 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -5.335 2.636 2.077 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -4.274 4.486 1.376 1.00 40.44 O1- ATOM 0 H GLU A 89 -6.823 5.520 -1.687 1.00 24.00 H new ATOM 0 HA GLU A 89 -4.367 4.324 -1.416 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -7.109 3.017 -1.423 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -5.648 2.292 -0.783 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -6.407 5.046 0.195 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -7.332 3.680 0.786 1.00 22.23 H new ATOM 1402 N GLU A 90 -5.883 3.471 -4.173 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.713 2.799 -5.451 1.00 0.45 C ATOM 1404 C GLU A 90 -4.529 3.398 -6.213 1.00 42.01 C ATOM 1405 O GLU A 90 -3.813 2.685 -6.915 1.00 73.10 O ATOM 1406 CB GLU A 90 -6.994 2.873 -6.284 1.00 22.42 C ATOM 1407 CG GLU A 90 -7.927 1.704 -5.961 1.00 43.23 C ATOM 1408 CD GLU A 90 -9.329 1.949 -6.520 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -9.712 3.107 -6.746 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -10.029 0.885 -6.725 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.724 4.044 -4.100 1.00 72.24 H new ATOM 0 HA GLU A 90 -5.502 1.747 -5.260 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.505 3.816 -6.088 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -6.743 2.860 -7.345 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -7.521 0.784 -6.380 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -7.982 1.566 -4.881 1.00 43.23 H new ATOM 1418 N ARG A 91 -4.358 4.701 -6.049 1.00 31.04 N ATOM 1419 CA ARG A 91 -3.273 5.404 -6.712 1.00 55.13 C ATOM 1420 C ARG A 91 -1.983 5.278 -5.899 1.00 34.33 C ATOM 1421 O ARG A 91 -0.888 5.420 -6.440 1.00 24.42 O ATOM 1422 CB ARG A 91 -3.608 6.885 -6.897 1.00 21.11 C ATOM 1423 CG ARG A 91 -4.319 7.125 -8.230 1.00 71.31 C ATOM 1424 CD ARG A 91 -5.260 8.328 -8.142 1.00 2.23 C ATOM 1425 NE ARG A 91 -4.711 9.331 -7.202 1.00 24.12 N ATOM 1426 CZ ARG A 91 -5.463 10.225 -6.524 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -6.804 10.247 -6.677 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -4.867 11.077 -5.710 1.00 72.51 N1+ ATOM 0 H ARG A 91 -4.953 5.289 -5.466 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.134 4.949 -7.693 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -4.242 7.223 -6.077 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -2.693 7.476 -6.857 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -3.581 7.293 -9.014 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -4.885 6.236 -8.509 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -5.388 8.773 -9.129 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -6.246 8.005 -7.808 1.00 2.23 H new ATOM 0 HE ARG A 91 -3.701 9.348 -7.057 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -7.256 9.585 -7.308 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -7.365 10.925 -6.161 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -3.853 11.054 -5.601 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -5.420 11.758 -5.191 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.156 5.011 -4.613 1.00 44.03 N ATOM 1442 CA ALA A 92 -1.019 4.864 -3.719 1.00 4.24 C ATOM 1443 C ALA A 92 -0.441 3.455 -3.865 1.00 44.10 C ATOM 1444 O ALA A 92 0.679 3.192 -3.431 1.00 25.42 O ATOM 1445 CB ALA A 92 -1.454 5.171 -2.285 1.00 24.15 C ATOM 0 H ALA A 92 -3.066 4.893 -4.168 1.00 44.03 H new ATOM 0 HA ALA A 92 -0.232 5.572 -3.979 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -0.602 5.061 -1.615 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -1.829 6.193 -2.230 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -2.241 4.478 -1.987 1.00 24.15 H new ATOM 1451 N ASP A 93 -1.232 2.586 -4.477 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.812 1.210 -4.686 1.00 41.32 C ATOM 1453 C ASP A 93 -0.447 1.011 -6.158 1.00 30.23 C ATOM 1454 O ASP A 93 0.625 0.493 -6.470 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.938 0.233 -4.342 1.00 51.12 C ATOM 1456 CG ASP A 93 -1.476 -1.158 -3.907 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -1.525 -1.506 -2.718 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -1.045 -1.913 -4.861 1.00 61.21 O1- ATOM 0 H ASP A 93 -2.161 2.808 -4.835 1.00 13.32 H new ATOM 0 HA ASP A 93 0.044 1.016 -4.040 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -2.542 0.665 -3.544 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -2.586 0.129 -5.212 1.00 51.12 H new ATOM 1464 N LEU A 94 -1.357 1.432 -7.023 1.00 1.20 N ATOM 1465 CA LEU A 94 -1.143 1.307 -8.455 1.00 74.05 C ATOM 1466 C LEU A 94 0.174 1.988 -8.831 1.00 42.32 C ATOM 1467 O LEU A 94 0.893 1.513 -9.710 1.00 60.31 O ATOM 1468 CB LEU A 94 -2.353 1.838 -9.226 1.00 54.11 C ATOM 1469 CG LEU A 94 -2.465 1.395 -10.686 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -3.691 2.019 -11.356 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -1.177 1.700 -11.452 1.00 30.44 C ATOM 0 H LEU A 94 -2.245 1.860 -6.760 1.00 1.20 H new ATOM 0 HA LEU A 94 -1.051 0.258 -8.736 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -3.257 1.528 -8.702 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -2.327 2.927 -9.199 1.00 54.11 H new ATOM 0 HG LEU A 94 -2.603 0.314 -10.705 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -3.747 1.688 -12.393 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -4.592 1.709 -10.827 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -3.608 3.105 -11.326 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -1.284 1.375 -12.487 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -0.984 2.772 -11.426 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -0.344 1.170 -10.989 1.00 30.44 H new ATOM 1483 N ILE A 95 0.451 3.089 -8.148 1.00 14.42 N ATOM 1484 CA ILE A 95 1.669 3.839 -8.399 1.00 64.13 C ATOM 1485 C ILE A 95 2.842 3.148 -7.703 1.00 4.02 C ATOM 1486 O ILE A 95 3.915 3.000 -8.286 1.00 25.25 O ATOM 1487 CB ILE A 95 1.489 5.303 -7.994 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.311 5.938 -8.736 1.00 4.41 C ATOM 1489 CG2 ILE A 95 2.785 6.092 -8.197 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.026 7.345 -8.211 1.00 42.01 C ATOM 0 H ILE A 95 -0.148 3.480 -7.421 1.00 14.42 H new ATOM 0 HA ILE A 95 1.895 3.852 -9.465 1.00 64.13 H new ATOM 0 HB ILE A 95 1.255 5.335 -6.930 1.00 34.32 H new ATOM 0 HG12 ILE A 95 0.530 5.982 -9.803 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -0.576 5.315 -8.618 1.00 4.41 H new ATOM 0 HG21 ILE A 95 2.629 7.130 -7.902 1.00 33.12 H new ATOM 0 HG22 ILE A 95 3.576 5.656 -7.587 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.074 6.053 -9.247 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.816 7.773 -8.756 1.00 42.01 H new ATOM 0 HD12 ILE A 95 -0.216 7.295 -7.149 1.00 42.01 H new ATOM 0 HD13 ILE A 95 0.906 7.972 -8.353 1.00 42.01 H new ATOM 1502 N ALA A 96 2.599 2.742 -6.466 1.00 33.14 N ATOM 1503 CA ALA A 96 3.622 2.070 -5.683 1.00 12.15 C ATOM 1504 C ALA A 96 4.228 0.935 -6.512 1.00 53.11 C ATOM 1505 O ALA A 96 5.438 0.719 -6.483 1.00 25.00 O ATOM 1506 CB ALA A 96 3.016 1.574 -4.369 1.00 44.52 C ATOM 0 H ALA A 96 1.708 2.866 -5.986 1.00 33.14 H new ATOM 0 HA ALA A 96 4.427 2.760 -5.430 1.00 12.15 H new ATOM 0 HB1 ALA A 96 3.784 1.070 -3.782 1.00 44.52 H new ATOM 0 HB2 ALA A 96 2.626 2.422 -3.805 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.206 0.877 -4.582 1.00 44.52 H new ATOM 1512 N TYR A 97 3.358 0.241 -7.229 1.00 1.44 N ATOM 1513 CA TYR A 97 3.792 -0.867 -8.064 1.00 62.31 C ATOM 1514 C TYR A 97 4.836 -0.408 -9.084 1.00 21.40 C ATOM 1515 O TYR A 97 5.857 -1.067 -9.272 1.00 22.13 O ATOM 1516 CB TYR A 97 2.544 -1.347 -8.810 1.00 54.22 C ATOM 1517 CG TYR A 97 2.846 -2.077 -10.121 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.433 -3.326 -10.095 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.529 -1.487 -11.328 1.00 73.34 C ATOM 1520 CE1 TYR A 97 3.717 -4.013 -11.328 1.00 61.32 C ATOM 1521 CE2 TYR A 97 2.813 -2.174 -12.561 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.393 -3.403 -12.500 1.00 14.22 C ATOM 1523 OH TYR A 97 3.659 -4.053 -13.665 1.00 3.20 O ATOM 0 H TYR A 97 2.355 0.424 -7.250 1.00 1.44 H new ATOM 0 HA TYR A 97 4.244 -1.651 -7.457 1.00 62.31 H new ATOM 0 HB2 TYR A 97 1.976 -2.011 -8.158 1.00 54.22 H new ATOM 0 HB3 TYR A 97 1.907 -0.488 -9.022 1.00 54.22 H new ATOM 0 HD1 TYR A 97 3.679 -3.788 -9.150 1.00 70.44 H new ATOM 0 HD2 TYR A 97 2.068 -0.510 -11.347 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.177 -4.990 -11.323 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.571 -1.724 -13.512 1.00 72.22 H new ATOM 0 HH TYR A 97 3.374 -3.499 -14.421 1.00 3.20 H new ATOM 1533 N LEU A 98 4.544 0.719 -9.717 1.00 55.30 N ATOM 1534 CA LEU A 98 5.446 1.273 -10.712 1.00 10.43 C ATOM 1535 C LEU A 98 6.815 1.515 -10.076 1.00 50.54 C ATOM 1536 O LEU A 98 7.846 1.248 -10.691 1.00 71.33 O ATOM 1537 CB LEU A 98 4.835 2.522 -11.352 1.00 25.13 C ATOM 1538 CG LEU A 98 3.454 2.344 -11.986 1.00 4.11 C ATOM 1539 CD1 LEU A 98 2.782 3.698 -12.224 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.542 1.514 -13.268 1.00 11.03 C ATOM 0 H LEU A 98 3.696 1.263 -9.560 1.00 55.30 H new ATOM 0 HA LEU A 98 5.595 0.565 -11.527 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.766 3.299 -10.591 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.520 2.886 -12.118 1.00 25.13 H new ATOM 0 HG LEU A 98 2.826 1.791 -11.288 1.00 4.11 H new ATOM 0 HD11 LEU A 98 1.802 3.543 -12.675 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.666 4.219 -11.273 1.00 43.25 H new ATOM 0 HD13 LEU A 98 3.399 4.298 -12.893 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.547 1.403 -13.698 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.192 2.017 -13.983 1.00 11.03 H new ATOM 0 HD23 LEU A 98 3.950 0.530 -13.037 1.00 11.03 H new ATOM 1552 N LYS A 99 6.783 2.020 -8.851 1.00 73.11 N ATOM 1553 CA LYS A 99 8.009 2.301 -8.124 1.00 1.31 C ATOM 1554 C LYS A 99 8.774 0.995 -7.899 1.00 71.25 C ATOM 1555 O LYS A 99 9.949 1.015 -7.539 1.00 53.02 O ATOM 1556 CB LYS A 99 7.704 3.066 -6.834 1.00 31.34 C ATOM 1557 CG LYS A 99 7.706 4.576 -7.079 1.00 15.41 C ATOM 1558 CD LYS A 99 6.371 5.039 -7.667 1.00 1.10 C ATOM 1559 CE LYS A 99 6.060 6.479 -7.255 1.00 13.50 C ATOM 1560 NZ LYS A 99 5.264 7.157 -8.303 1.00 12.44 N1+ ATOM 0 H LYS A 99 5.926 2.242 -8.344 1.00 73.11 H new ATOM 0 HA LYS A 99 8.657 2.954 -8.708 1.00 1.31 H new ATOM 0 HB2 LYS A 99 6.733 2.758 -6.445 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.445 2.816 -6.075 1.00 31.34 H new ATOM 0 HG2 LYS A 99 7.896 5.100 -6.142 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.517 4.836 -7.759 1.00 15.41 H new ATOM 0 HD2 LYS A 99 6.404 4.967 -8.754 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.572 4.379 -7.328 1.00 1.10 H new ATOM 0 HE2 LYS A 99 5.511 6.484 -6.313 1.00 13.50 H new ATOM 0 HE3 LYS A 99 6.989 7.024 -7.086 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 5.848 7.879 -8.770 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 4.949 6.458 -9.006 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 4.434 7.610 -7.870 1.00 12.44 H new ATOM 1573 N LYS A 100 8.075 -0.108 -8.119 1.00 63.15 N ATOM 1574 CA LYS A 100 8.674 -1.421 -7.945 1.00 72.41 C ATOM 1575 C LYS A 100 8.785 -2.111 -9.306 1.00 64.54 C ATOM 1576 O LYS A 100 9.477 -3.119 -9.440 1.00 30.00 O ATOM 1577 CB LYS A 100 7.894 -2.231 -6.907 1.00 4.54 C ATOM 1578 CG LYS A 100 7.762 -1.456 -5.595 1.00 42.24 C ATOM 1579 CD LYS A 100 9.101 -1.391 -4.858 1.00 15.32 C ATOM 1580 CE LYS A 100 8.900 -1.033 -3.384 1.00 64.41 C ATOM 1581 NZ LYS A 100 10.139 -1.287 -2.615 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.099 -0.120 -8.416 1.00 63.15 H new ATOM 0 HA LYS A 100 9.686 -1.329 -7.551 1.00 72.41 H new ATOM 0 HB2 LYS A 100 6.903 -2.468 -7.295 1.00 4.54 H new ATOM 0 HB3 LYS A 100 8.400 -3.179 -6.725 1.00 4.54 H new ATOM 0 HG2 LYS A 100 7.406 -0.446 -5.800 1.00 42.24 H new ATOM 0 HG3 LYS A 100 7.016 -1.934 -4.960 1.00 42.24 H new ATOM 0 HD2 LYS A 100 9.610 -2.352 -4.936 1.00 15.32 H new ATOM 0 HD3 LYS A 100 9.745 -0.650 -5.331 1.00 15.32 H new ATOM 0 HE2 LYS A 100 8.618 0.016 -3.294 1.00 64.41 H new ATOM 0 HE3 LYS A 100 8.081 -1.621 -2.969 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 9.985 -1.039 -1.617 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 10.392 -2.293 -2.687 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 10.912 -0.708 -3.001 1.00 13.11 H new ATOM 1594 N ALA A 101 8.094 -1.540 -10.282 1.00 71.41 N ATOM 1595 CA ALA A 101 8.107 -2.087 -11.628 1.00 62.32 C ATOM 1596 C ALA A 101 9.217 -1.414 -12.437 1.00 15.30 C ATOM 1597 O ALA A 101 10.280 -1.996 -12.642 1.00 73.54 O ATOM 1598 CB ALA A 101 6.727 -1.906 -12.266 1.00 63.13 C ATOM 0 H ALA A 101 7.521 -0.704 -10.167 1.00 71.41 H new ATOM 0 HA ALA A 101 8.318 -3.156 -11.606 1.00 62.32 H new ATOM 0 HB1 ALA A 101 6.736 -2.316 -13.276 1.00 63.13 H new ATOM 0 HB2 ALA A 101 5.979 -2.428 -11.669 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.482 -0.845 -12.308 1.00 63.13 H new ATOM 1604 N THR A 102 8.931 -0.197 -12.874 1.00 2.02 N ATOM 1605 CA THR A 102 9.892 0.561 -13.657 1.00 71.34 C ATOM 1606 C THR A 102 11.203 0.720 -12.884 1.00 12.43 C ATOM 1607 O THR A 102 12.236 1.046 -13.467 1.00 41.24 O ATOM 1608 CB THR A 102 9.246 1.896 -14.036 1.00 15.35 C ATOM 1609 OG1 THR A 102 10.350 2.738 -14.358 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.587 2.587 -12.841 1.00 62.44 C ATOM 0 H THR A 102 8.048 0.283 -12.701 1.00 2.02 H new ATOM 0 HA THR A 102 10.154 0.037 -14.576 1.00 71.34 H new ATOM 0 HB THR A 102 8.502 1.731 -14.816 1.00 15.35 H new ATOM 0 HG1 THR A 102 11.168 2.200 -14.409 1.00 54.52 H new ATOM 0 HG21 THR A 102 8.144 3.529 -13.164 1.00 62.44 H new ATOM 0 HG22 THR A 102 7.809 1.942 -12.431 1.00 62.44 H new ATOM 0 HG23 THR A 102 9.337 2.783 -12.075 1.00 62.44 H new ATOM 1618 N ASN A 103 11.118 0.482 -11.583 1.00 4.21 N ATOM 1619 CA ASN A 103 12.285 0.593 -10.724 1.00 22.31 C ATOM 1620 C ASN A 103 13.166 -0.644 -10.906 1.00 72.30 C ATOM 1621 O ASN A 103 14.358 -0.525 -11.191 1.00 23.40 O ATOM 1622 CB ASN A 103 11.878 0.673 -9.251 1.00 0.14 C ATOM 1623 CG ASN A 103 13.088 0.470 -8.337 1.00 54.24 C ATOM 1624 OD1 ASN A 103 14.227 0.700 -8.711 1.00 3.22 O ATOM 1625 ND2 ASN A 103 12.780 0.029 -7.121 1.00 60.01 N ATOM 0 H ASN A 103 10.259 0.213 -11.103 1.00 4.21 H new ATOM 0 HA ASN A 103 12.822 1.501 -10.999 1.00 22.31 H new ATOM 0 HB2 ASN A 103 11.423 1.642 -9.048 1.00 0.14 H new ATOM 0 HB3 ASN A 103 11.124 -0.085 -9.036 1.00 0.14 H new ATOM 0 HD21 ASN A 103 13.518 -0.137 -6.437 1.00 60.01 H new ATOM 0 HD22 ASN A 103 11.806 -0.143 -6.873 1.00 60.01 H new ATOM 1632 N GLU A 104 12.549 -1.802 -10.732 1.00 33.11 N ATOM 1633 CA GLU A 104 13.262 -3.060 -10.873 1.00 43.24 C ATOM 1634 C GLU A 104 13.775 -3.222 -12.306 1.00 2.51 C ATOM 1635 O GLU A 104 14.242 -4.295 -12.684 1.00 22.34 O ATOM 1636 CB GLU A 104 12.376 -4.242 -10.471 1.00 32.13 C ATOM 1637 CG GLU A 104 12.045 -4.195 -8.978 1.00 20.34 C ATOM 1638 CD GLU A 104 13.206 -4.737 -8.141 1.00 3.30 C ATOM 1639 OE1 GLU A 104 13.401 -5.959 -8.070 1.00 3.03 O ATOM 1640 OE2 GLU A 104 13.920 -3.838 -7.553 1.00 64.02 O1- ATOM 0 H GLU A 104 11.562 -1.896 -10.494 1.00 33.11 H new ATOM 0 HA GLU A 104 14.119 -3.046 -10.200 1.00 43.24 H new ATOM 0 HB2 GLU A 104 11.454 -4.225 -11.052 1.00 32.13 H new ATOM 0 HB3 GLU A 104 12.883 -5.178 -10.706 1.00 32.13 H new ATOM 0 HG2 GLU A 104 11.827 -3.169 -8.682 1.00 20.34 H new ATOM 0 HG3 GLU A 104 11.147 -4.781 -8.782 1.00 20.34 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 -1.710 6.401 -19.850 1.00 71.04 FE HETATM 1650 CHA HEC A 500 -0.080 9.269 -20.891 1.00 72.53 C HETATM 1651 CHB HEC A 500 -0.218 6.665 -16.775 1.00 20.13 C HETATM 1652 CHC HEC A 500 -3.885 4.079 -18.771 1.00 71.13 C HETATM 1653 CHD HEC A 500 -2.789 5.925 -23.140 1.00 64.24 C HETATM 1654 NA HEC A 500 -0.446 7.766 -18.971 1.00 31.31 N HETATM 1655 C1A HEC A 500 0.076 8.848 -19.590 1.00 11.23 C HETATM 1656 C2A HEC A 500 0.963 9.500 -18.677 1.00 11.44 C HETATM 1657 C3A HEC A 500 0.958 8.776 -17.507 1.00 60.30 C HETATM 1658 C4A HEC A 500 0.067 7.654 -17.714 1.00 22.22 C HETATM 1659 CMA HEC A 500 1.691 9.137 -16.243 1.00 33.41 C HETATM 1660 CAA HEC A 500 1.849 10.657 -19.039 1.00 41.22 C HETATM 1661 CBA HEC A 500 3.064 10.266 -19.883 1.00 51.34 C HETATM 1662 CGA HEC A 500 3.511 8.855 -19.535 1.00 30.41 C HETATM 1663 O1A HEC A 500 3.344 8.471 -18.359 1.00 2.34 O HETATM 1664 O2A HEC A 500 3.939 8.153 -20.479 1.00 70.54 O HETATM 1665 NB HEC A 500 -1.939 5.469 -18.118 1.00 12.31 N HETATM 1666 C1B HEC A 500 -1.200 5.692 -16.994 1.00 45.44 C HETATM 1667 C2B HEC A 500 -1.630 4.728 -16.014 1.00 54.04 C HETATM 1668 C3B HEC A 500 -2.753 4.104 -16.518 1.00 54.24 C HETATM 1669 C4B HEC A 500 -2.909 4.552 -17.884 1.00 43.12 C HETATM 1670 CMB HEC A 500 -0.951 4.458 -14.697 1.00 63.04 C HETATM 1671 CAB HEC A 500 -3.633 3.086 -15.824 1.00 62.05 C HETATM 1672 CBB HEC A 500 -3.895 3.348 -14.337 1.00 3.42 C HETATM 1673 NC HEC A 500 -3.075 5.175 -20.803 1.00 51.30 N HETATM 1674 C1C HEC A 500 -3.850 4.295 -20.144 1.00 22.43 C HETATM 1675 C2C HEC A 500 -4.601 3.544 -21.130 1.00 32.31 C HETATM 1676 C3C HEC A 500 -4.177 3.970 -22.370 1.00 23.12 C HETATM 1677 C4C HEC A 500 -3.302 5.099 -22.143 1.00 64.52 C HETATM 1678 CMC HEC A 500 -5.500 2.360 -20.858 1.00 61.32 C HETATM 1679 CAC HEC A 500 -4.469 3.329 -23.722 1.00 60.14 C HETATM 1680 CBC HEC A 500 -5.947 3.357 -24.128 1.00 75.24 C HETATM 1681 ND HEC A 500 -1.453 7.406 -21.689 1.00 1.32 N HETATM 1682 C1D HEC A 500 -1.963 7.011 -22.884 1.00 53.21 C HETATM 1683 C2D HEC A 500 -1.518 7.960 -23.880 1.00 41.41 C HETATM 1684 C3D HEC A 500 -0.801 8.930 -23.225 1.00 64.12 C HETATM 1685 C4D HEC A 500 -0.750 8.550 -21.843 1.00 4.05 C HETATM 1686 CMD HEC A 500 -1.809 7.932 -25.358 1.00 55.10 C HETATM 1687 CAD HEC A 500 -0.293 10.220 -23.820 1.00 73.33 C HETATM 1688 CBD HEC A 500 -1.275 11.363 -23.573 1.00 42.42 C HETATM 1689 CGD HEC A 500 -1.075 12.009 -22.217 1.00 43.31 C HETATM 1690 O1D HEC A 500 -0.487 13.107 -22.174 1.00 34.31 O HETATM 1691 O2D HEC A 500 -1.482 11.386 -21.218 1.00 23.53 O HETATM 0 HMD3 HEC A 500 -1.420 7.009 -25.788 1.00 55.10 H new HETATM 0 HMD2 HEC A 500 -2.886 7.981 -25.518 1.00 55.10 H new HETATM 0 HMD1 HEC A 500 -1.332 8.786 -25.839 1.00 55.10 H new HETATM 0 HMC3 HEC A 500 -4.919 1.560 -20.399 1.00 61.32 H new HETATM 0 HMC2 HEC A 500 -6.302 2.659 -20.183 1.00 61.32 H new HETATM 0 HMC1 HEC A 500 -5.928 2.005 -21.796 1.00 61.32 H new HETATM 0 HMB3 HEC A 500 0.073 4.129 -14.876 1.00 63.04 H new HETATM 0 HMB2 HEC A 500 -0.940 5.370 -14.100 1.00 63.04 H new HETATM 0 HMB1 HEC A 500 -1.494 3.680 -14.161 1.00 63.04 H new HETATM 0 HMA3 HEC A 500 2.761 9.189 -16.445 1.00 33.41 H new HETATM 0 HMA2 HEC A 500 1.342 10.105 -15.884 1.00 33.41 H new HETATM 0 HMA1 HEC A 500 1.502 8.379 -15.483 1.00 33.41 H new HETATM 0 HBD2 HEC A 500 -1.157 12.116 -24.353 1.00 42.42 H new HETATM 0 HBD1 HEC A 500 -2.295 10.985 -23.646 1.00 42.42 H new HETATM 0 HBC3 HEC A 500 -6.538 2.820 -23.387 1.00 75.24 H new HETATM 0 HBC2 HEC A 500 -6.289 4.390 -24.185 1.00 75.24 H new HETATM 0 HBC1 HEC A 500 -6.066 2.881 -25.101 1.00 75.24 H new HETATM 0 HBB3 HEC A 500 -2.948 3.356 -13.797 1.00 3.42 H new HETATM 0 HBB2 HEC A 500 -4.388 4.313 -14.219 1.00 3.42 H new HETATM 0 HBB1 HEC A 500 -4.535 2.562 -13.936 1.00 3.42 H new HETATM 0 HBA2 HEC A 500 2.815 10.326 -20.942 1.00 51.34 H new HETATM 0 HBA1 HEC A 500 3.879 10.968 -19.707 1.00 51.34 H new HETATM 0 HAD2 HEC A 500 0.675 10.468 -23.386 1.00 73.33 H new HETATM 0 HAD1 HEC A 500 -0.139 10.094 -24.892 1.00 73.33 H new HETATM 0 HAA2 HEC A 500 1.262 11.395 -19.585 1.00 41.22 H new HETATM 0 HAA1 HEC A 500 2.194 11.138 -18.124 1.00 41.22 H new HETATM 0 HHD HEC A 500 -3.050 5.707 -24.176 1.00 64.24 H new HETATM 0 HHC HEC A 500 -4.719 3.509 -18.361 1.00 71.13 H new HETATM 0 HHB HEC A 500 0.342 6.648 -15.840 1.00 20.13 H new HETATM 0 HHA HEC A 500 0.354 10.227 -21.178 1.00 72.53 H new HETATM 0 H2A HEC A 500 4.801 7.759 -20.229 1.00 70.54 H new