USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC H2A : A 110 HEC O2A : A 110 HEC CGA :(short bond) USER MOD Set 1.1: A 49 THR OG1 : rot 138:sc= 1.22 USER MOD Set 1.2: A 110 HEC O2D : rot 60:sc= 0.993 USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.399 (180deg=0.0209) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -143:sc= 0.931 (180deg=-0.746!) USER MOD Single : A 12 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.0046) USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= 1.02 (180deg=-0.133) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 179:sc= 0.314 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) 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 31 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.5!) USER MOD Single : A 33 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.083) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 129:sc= 0.83 USER MOD Single : A 42 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00242 USER MOD Single : A 48 TYR OH : rot -150:sc= 0.095 USER MOD Single : A 52 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.086) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 152:sc= 0.196 (180deg=-0.014) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 150:sc= 0 USER MOD Single : A 65 MET CE :methyl 152:sc= -0.514 (180deg=-2.23!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.563 USER MOD Single : A 70 ASN : amide:sc= 0.195 K(o=0.19,f=-1.8!) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00359) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -60:sc= -2.41! USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= -0.998 (180deg=-1.08) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0099 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -129:sc= 1.23 (180deg=-1.05) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -81:sc= 1.13 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.996 -4.076 -14.863 1.00 10.00 N ATOM 2 CA GLY A 1 -4.567 -3.834 -14.828 1.00 10.00 C ATOM 3 C GLY A 1 -3.983 -5.231 -15.011 1.00 10.00 C ATOM 4 O GLY A 1 -4.718 -6.202 -14.831 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.370 -3.809 -15.796 1.00 10.00 H new ATOM 0 H2 GLY A 1 -6.182 -5.085 -14.691 1.00 10.00 H new ATOM 0 H3 GLY A 1 -6.462 -3.508 -14.127 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -4.252 -3.157 -15.622 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -4.256 -3.386 -13.884 1.00 10.00 H new ATOM 10 N ASP A 2 -2.776 -5.333 -15.505 1.00 10.00 N ATOM 11 CA ASP A 2 -2.114 -6.605 -15.732 1.00 10.00 C ATOM 12 C ASP A 2 -1.654 -7.212 -14.408 1.00 10.00 C ATOM 13 O ASP A 2 -0.820 -6.633 -13.715 1.00 10.00 O ATOM 14 CB ASP A 2 -0.889 -6.460 -16.628 1.00 10.00 C ATOM 15 CG ASP A 2 -0.332 -7.840 -16.959 1.00 10.00 C ATOM 16 OD1 ASP A 2 -1.072 -8.834 -16.779 1.00 10.00 O ATOM 17 OD2 ASP A 2 0.875 -7.905 -17.264 1.00 10.00 O ATOM 0 H ASP A 2 -2.211 -4.525 -15.767 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.843 -7.250 -16.222 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -1.157 -5.935 -17.545 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -0.129 -5.860 -16.128 1.00 10.00 H new ATOM 22 N VAL A 3 -2.155 -8.396 -14.064 1.00 10.00 N ATOM 23 CA VAL A 3 -1.696 -9.113 -12.884 1.00 10.00 C ATOM 24 C VAL A 3 -0.233 -9.533 -13.069 1.00 10.00 C ATOM 25 O VAL A 3 0.555 -9.458 -12.124 1.00 10.00 O ATOM 26 CB VAL A 3 -2.638 -10.298 -12.603 1.00 10.00 C ATOM 27 CG1 VAL A 3 -2.102 -11.198 -11.480 1.00 10.00 C ATOM 28 CG2 VAL A 3 -4.045 -9.787 -12.245 1.00 10.00 C ATOM 0 H VAL A 3 -2.883 -8.879 -14.591 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.727 -8.468 -12.006 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.692 -10.898 -13.512 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.795 -12.022 -11.312 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -1.128 -11.595 -11.766 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.002 -10.616 -10.564 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.701 -10.635 -12.049 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.989 -9.158 -11.356 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.443 -9.205 -13.076 1.00 10.00 H new ATOM 38 N GLU A 4 0.144 -9.961 -14.280 1.00 10.00 N ATOM 39 CA GLU A 4 1.501 -10.420 -14.533 1.00 10.00 C ATOM 40 C GLU A 4 2.488 -9.280 -14.324 1.00 10.00 C ATOM 41 O GLU A 4 3.443 -9.432 -13.568 1.00 10.00 O ATOM 42 CB GLU A 4 1.645 -10.976 -15.950 1.00 10.00 C ATOM 43 CG GLU A 4 1.665 -12.512 -15.986 1.00 10.00 C ATOM 44 CD GLU A 4 3.041 -13.060 -15.617 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.024 -12.625 -16.259 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.129 -13.833 -14.641 1.00 10.00 O ATOM 0 H GLU A 4 -0.473 -9.996 -15.091 1.00 10.00 H new ATOM 0 HA GLU A 4 1.719 -11.222 -13.828 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.820 -10.613 -16.564 1.00 10.00 H new ATOM 0 HB3 GLU A 4 2.565 -10.594 -16.394 1.00 10.00 H new ATOM 0 HG2 GLU A 4 0.919 -12.903 -15.295 1.00 10.00 H new ATOM 0 HG3 GLU A 4 1.389 -12.858 -16.982 1.00 10.00 H new ATOM 53 N LYS A 5 2.319 -8.154 -15.014 1.00 10.00 N ATOM 54 CA LYS A 5 3.174 -7.012 -14.790 1.00 10.00 C ATOM 55 C LYS A 5 3.035 -6.564 -13.347 1.00 10.00 C ATOM 56 O LYS A 5 4.055 -6.430 -12.687 1.00 10.00 O ATOM 57 CB LYS A 5 2.942 -5.887 -15.793 1.00 10.00 C ATOM 58 CG LYS A 5 3.638 -6.179 -17.132 1.00 10.00 C ATOM 59 CD LYS A 5 4.475 -4.976 -17.591 1.00 10.00 C ATOM 60 CE LYS A 5 5.870 -4.994 -16.941 1.00 10.00 C ATOM 61 NZ LYS A 5 6.564 -3.695 -17.073 1.00 10.00 N ATOM 0 H LYS A 5 1.601 -8.017 -15.725 1.00 10.00 H new ATOM 0 HA LYS A 5 4.208 -7.312 -14.961 1.00 10.00 H new ATOM 0 HB2 LYS A 5 1.872 -5.759 -15.957 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.316 -4.949 -15.383 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.279 -7.055 -17.029 1.00 10.00 H new ATOM 0 HG3 LYS A 5 2.891 -6.417 -17.890 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.575 -4.991 -18.676 1.00 10.00 H new ATOM 0 HD3 LYS A 5 3.961 -4.051 -17.331 1.00 10.00 H new ATOM 0 HE2 LYS A 5 5.774 -5.247 -15.885 1.00 10.00 H new ATOM 0 HE3 LYS A 5 6.474 -5.775 -17.402 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.499 -3.753 -16.621 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.680 -3.464 -18.080 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 6.002 -2.952 -16.610 1.00 10.00 H new ATOM 75 N GLY A 6 1.814 -6.398 -12.838 1.00 10.00 N ATOM 76 CA GLY A 6 1.558 -6.003 -11.461 1.00 10.00 C ATOM 77 C GLY A 6 2.430 -6.750 -10.447 1.00 10.00 C ATOM 78 O GLY A 6 2.969 -6.155 -9.509 1.00 10.00 O ATOM 0 H GLY A 6 0.964 -6.538 -13.384 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.730 -4.932 -11.359 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.508 -6.180 -11.228 1.00 10.00 H new ATOM 82 N LYS A 7 2.584 -8.061 -10.655 1.00 10.00 N ATOM 83 CA LYS A 7 3.389 -8.927 -9.826 1.00 10.00 C ATOM 84 C LYS A 7 4.818 -8.409 -9.828 1.00 10.00 C ATOM 85 O LYS A 7 5.410 -8.169 -8.777 1.00 10.00 O ATOM 86 CB LYS A 7 3.265 -10.364 -10.359 1.00 10.00 C ATOM 87 CG LYS A 7 4.059 -11.364 -9.512 1.00 10.00 C ATOM 88 CD LYS A 7 3.967 -12.761 -10.141 1.00 10.00 C ATOM 89 CE LYS A 7 3.863 -13.839 -9.053 1.00 10.00 C ATOM 90 NZ LYS A 7 3.834 -15.200 -9.627 1.00 10.00 N ATOM 0 H LYS A 7 2.135 -8.551 -11.429 1.00 10.00 H new ATOM 0 HA LYS A 7 3.050 -8.934 -8.790 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.215 -10.655 -10.373 1.00 10.00 H new ATOM 0 HB3 LYS A 7 3.620 -10.400 -11.389 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.101 -11.052 -9.446 1.00 10.00 H new ATOM 0 HG3 LYS A 7 3.667 -11.386 -8.495 1.00 10.00 H new ATOM 0 HD2 LYS A 7 3.098 -12.814 -10.797 1.00 10.00 H new ATOM 0 HD3 LYS A 7 4.845 -12.945 -10.760 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.709 -13.750 -8.372 1.00 10.00 H new ATOM 0 HE3 LYS A 7 2.961 -13.674 -8.464 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 3.763 -15.899 -8.860 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.012 -15.293 -10.257 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 4.706 -15.367 -10.168 1.00 10.00 H new ATOM 104 N LYS A 8 5.369 -8.224 -11.027 1.00 10.00 N ATOM 105 CA LYS A 8 6.737 -7.774 -11.157 1.00 10.00 C ATOM 106 C LYS A 8 6.870 -6.332 -10.656 1.00 10.00 C ATOM 107 O LYS A 8 7.848 -6.004 -10.000 1.00 10.00 O ATOM 108 CB LYS A 8 7.280 -7.951 -12.586 1.00 10.00 C ATOM 109 CG LYS A 8 7.689 -9.395 -12.944 1.00 10.00 C ATOM 110 CD LYS A 8 6.515 -10.377 -12.851 1.00 10.00 C ATOM 111 CE LYS A 8 6.526 -11.534 -13.865 1.00 10.00 C ATOM 112 NZ LYS A 8 5.737 -11.208 -15.073 1.00 10.00 N ATOM 0 H LYS A 8 4.886 -8.380 -11.912 1.00 10.00 H new ATOM 0 HA LYS A 8 7.361 -8.408 -10.527 1.00 10.00 H new ATOM 0 HB2 LYS A 8 6.521 -7.617 -13.293 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.145 -7.300 -12.715 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.095 -9.414 -13.955 1.00 10.00 H new ATOM 0 HG3 LYS A 8 8.485 -9.721 -12.274 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.499 -10.800 -11.846 1.00 10.00 H new ATOM 0 HD3 LYS A 8 5.588 -9.818 -12.977 1.00 10.00 H new ATOM 0 HE2 LYS A 8 7.554 -11.758 -14.151 1.00 10.00 H new ATOM 0 HE3 LYS A 8 6.122 -12.432 -13.397 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 5.241 -12.060 -15.404 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 5.041 -10.470 -14.844 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 6.373 -10.865 -15.821 1.00 10.00 H new ATOM 126 N ILE A 9 5.897 -5.461 -10.926 1.00 10.00 N ATOM 127 CA ILE A 9 5.886 -4.088 -10.461 1.00 10.00 C ATOM 128 C ILE A 9 6.097 -4.082 -8.956 1.00 10.00 C ATOM 129 O ILE A 9 7.070 -3.499 -8.493 1.00 10.00 O ATOM 130 CB ILE A 9 4.576 -3.409 -10.880 1.00 10.00 C ATOM 131 CG1 ILE A 9 4.591 -3.189 -12.400 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.347 -2.073 -10.166 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.286 -2.566 -12.876 1.00 10.00 C ATOM 0 H ILE A 9 5.080 -5.703 -11.487 1.00 10.00 H new ATOM 0 HA ILE A 9 6.695 -3.516 -10.914 1.00 10.00 H new ATOM 0 HB ILE A 9 3.756 -4.067 -10.592 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.426 -2.542 -12.669 1.00 10.00 H new ATOM 0 HG13 ILE A 9 4.749 -4.141 -12.907 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.406 -1.638 -10.501 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.307 -2.238 -9.089 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.165 -1.391 -10.399 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.324 -2.421 -13.956 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.455 -3.227 -12.628 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.142 -1.603 -12.386 1.00 10.00 H new ATOM 145 N PHE A 10 5.229 -4.755 -8.199 1.00 10.00 N ATOM 146 CA PHE A 10 5.382 -4.833 -6.752 1.00 10.00 C ATOM 147 C PHE A 10 6.826 -5.201 -6.363 1.00 10.00 C ATOM 148 O PHE A 10 7.419 -4.576 -5.479 1.00 10.00 O ATOM 149 CB PHE A 10 4.357 -5.826 -6.200 1.00 10.00 C ATOM 150 CG PHE A 10 4.364 -5.907 -4.692 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.682 -4.939 -3.932 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.137 -6.890 -4.049 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.704 -5.005 -2.530 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.183 -6.937 -2.648 1.00 10.00 C ATOM 155 CZ PHE A 10 4.408 -6.040 -1.894 1.00 10.00 C ATOM 0 H PHE A 10 4.417 -5.251 -8.566 1.00 10.00 H new ATOM 0 HA PHE A 10 5.191 -3.856 -6.307 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.362 -5.537 -6.538 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.559 -6.815 -6.612 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.142 -4.146 -4.427 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.694 -7.608 -4.633 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.182 -4.263 -1.944 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.812 -7.660 -2.150 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.354 -6.147 -0.821 1.00 10.00 H new ATOM 165 N VAL A 11 7.401 -6.168 -7.088 1.00 10.00 N ATOM 166 CA VAL A 11 8.749 -6.700 -6.894 1.00 10.00 C ATOM 167 C VAL A 11 9.845 -5.717 -7.351 1.00 10.00 C ATOM 168 O VAL A 11 10.992 -5.818 -6.921 1.00 10.00 O ATOM 169 CB VAL A 11 8.855 -8.062 -7.607 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.251 -8.691 -7.508 1.00 10.00 C ATOM 171 CG2 VAL A 11 7.843 -9.060 -7.029 1.00 10.00 C ATOM 0 H VAL A 11 6.913 -6.620 -7.862 1.00 10.00 H new ATOM 0 HA VAL A 11 8.919 -6.841 -5.827 1.00 10.00 H new ATOM 0 HB VAL A 11 8.644 -7.857 -8.657 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.257 -9.648 -8.031 1.00 10.00 H new ATOM 0 HG12 VAL A 11 10.984 -8.024 -7.963 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.506 -8.849 -6.460 1.00 10.00 H new ATOM 0 HG21 VAL A 11 7.936 -10.014 -7.548 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.040 -9.204 -5.967 1.00 10.00 H new ATOM 0 HG23 VAL A 11 6.833 -8.672 -7.162 1.00 10.00 H new ATOM 181 N GLN A 12 9.519 -4.786 -8.248 1.00 10.00 N ATOM 182 CA GLN A 12 10.443 -3.827 -8.849 1.00 10.00 C ATOM 183 C GLN A 12 10.215 -2.403 -8.346 1.00 10.00 C ATOM 184 O GLN A 12 10.847 -1.476 -8.861 1.00 10.00 O ATOM 185 CB GLN A 12 10.241 -3.844 -10.362 1.00 10.00 C ATOM 186 CG GLN A 12 10.633 -5.200 -10.964 1.00 10.00 C ATOM 187 CD GLN A 12 12.142 -5.394 -11.022 1.00 10.00 C ATOM 188 OE1 GLN A 12 12.782 -4.989 -11.985 1.00 10.00 O ATOM 189 NE2 GLN A 12 12.720 -6.016 -9.998 1.00 10.00 N ATOM 0 H GLN A 12 8.564 -4.676 -8.589 1.00 10.00 H new ATOM 0 HA GLN A 12 11.455 -4.120 -8.572 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.198 -3.629 -10.594 1.00 10.00 H new ATOM 0 HB3 GLN A 12 10.838 -3.055 -10.819 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.189 -6.000 -10.371 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.220 -5.281 -11.969 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.155 -6.340 -9.213 1.00 10.00 H new ATOM 0 HE22 GLN A 12 13.728 -6.169 -9.998 1.00 10.00 H new ATOM 198 N LYS A 13 9.246 -2.214 -7.450 1.00 10.00 N ATOM 199 CA LYS A 13 8.878 -0.934 -6.876 1.00 10.00 C ATOM 200 C LYS A 13 9.090 -0.988 -5.367 1.00 10.00 C ATOM 201 O LYS A 13 9.863 -0.198 -4.831 1.00 10.00 O ATOM 202 CB LYS A 13 7.401 -0.621 -7.158 1.00 10.00 C ATOM 203 CG LYS A 13 7.085 0.071 -8.490 1.00 10.00 C ATOM 204 CD LYS A 13 7.702 -0.517 -9.758 1.00 10.00 C ATOM 205 CE LYS A 13 8.896 0.318 -10.227 1.00 10.00 C ATOM 206 NZ LYS A 13 9.755 -0.459 -11.135 1.00 10.00 N ATOM 0 H LYS A 13 8.678 -2.983 -7.095 1.00 10.00 H new ATOM 0 HA LYS A 13 9.497 -0.156 -7.323 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.842 -1.556 -7.119 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.026 0.008 -6.351 1.00 10.00 H new ATOM 0 HG2 LYS A 13 6.002 0.078 -8.616 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.404 1.110 -8.412 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.022 -1.542 -9.569 1.00 10.00 H new ATOM 0 HD3 LYS A 13 6.951 -0.558 -10.547 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.541 1.215 -10.734 1.00 10.00 H new ATOM 0 HE3 LYS A 13 9.476 0.648 -9.365 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 10.268 0.189 -11.767 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.437 -1.013 -10.579 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 9.168 -1.103 -11.702 1.00 10.00 H new ATOM 220 N CYS A 14 8.356 -1.879 -4.689 1.00 10.00 N ATOM 221 CA CYS A 14 8.305 -1.924 -3.238 1.00 10.00 C ATOM 222 C CYS A 14 9.185 -3.094 -2.759 1.00 10.00 C ATOM 223 O CYS A 14 10.328 -2.877 -2.365 1.00 10.00 O ATOM 224 CB CYS A 14 6.863 -1.922 -2.726 1.00 10.00 C ATOM 225 SG CYS A 14 5.524 -1.681 -3.981 1.00 10.00 S ATOM 0 H CYS A 14 7.781 -2.589 -5.142 1.00 10.00 H new ATOM 0 HA CYS A 14 8.723 -1.019 -2.798 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.683 -2.869 -2.217 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.771 -1.135 -1.977 1.00 10.00 H new ATOM 230 N ALA A 15 8.684 -4.332 -2.841 1.00 10.00 N ATOM 231 CA ALA A 15 9.379 -5.587 -2.540 1.00 10.00 C ATOM 232 C ALA A 15 10.190 -5.615 -1.235 1.00 10.00 C ATOM 233 O ALA A 15 9.758 -6.168 -0.228 1.00 10.00 O ATOM 234 CB ALA A 15 10.233 -6.020 -3.740 1.00 10.00 C ATOM 0 H ALA A 15 7.722 -4.493 -3.138 1.00 10.00 H new ATOM 0 HA ALA A 15 8.584 -6.311 -2.360 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.744 -6.953 -3.505 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.592 -6.167 -4.609 1.00 10.00 H new ATOM 0 HB3 ALA A 15 10.970 -5.248 -3.960 1.00 10.00 H new ATOM 240 N GLN A 16 11.390 -5.035 -1.216 1.00 10.00 N ATOM 241 CA GLN A 16 12.235 -4.987 -0.029 1.00 10.00 C ATOM 242 C GLN A 16 11.748 -3.850 0.878 1.00 10.00 C ATOM 243 O GLN A 16 12.505 -2.965 1.266 1.00 10.00 O ATOM 244 CB GLN A 16 13.719 -4.882 -0.436 1.00 10.00 C ATOM 245 CG GLN A 16 14.463 -6.230 -0.400 1.00 10.00 C ATOM 246 CD GLN A 16 15.783 -6.096 0.358 1.00 10.00 C ATOM 247 OE1 GLN A 16 16.813 -5.782 -0.224 1.00 10.00 O ATOM 248 NE2 GLN A 16 15.760 -6.317 1.671 1.00 10.00 N ATOM 0 H GLN A 16 11.804 -4.583 -2.031 1.00 10.00 H new ATOM 0 HA GLN A 16 12.158 -5.908 0.549 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.783 -4.467 -1.442 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.221 -4.181 0.230 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.838 -6.984 0.078 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.655 -6.573 -1.417 1.00 10.00 H new ATOM 0 HE21 GLN A 16 14.887 -6.577 2.129 1.00 10.00 H new ATOM 0 HE22 GLN A 16 16.616 -6.226 2.219 1.00 10.00 H new ATOM 257 N CYS A 17 10.470 -3.923 1.248 1.00 10.00 N ATOM 258 CA CYS A 17 9.807 -3.046 2.199 1.00 10.00 C ATOM 259 C CYS A 17 8.431 -3.643 2.513 1.00 10.00 C ATOM 260 O CYS A 17 8.047 -3.737 3.677 1.00 10.00 O ATOM 261 CB CYS A 17 9.716 -1.608 1.711 1.00 10.00 C ATOM 262 SG CYS A 17 9.272 -0.621 3.163 1.00 10.00 S ATOM 0 H CYS A 17 9.842 -4.633 0.871 1.00 10.00 H new ATOM 0 HA CYS A 17 10.401 -2.990 3.111 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.665 -1.278 1.289 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.966 -1.508 0.926 1.00 10.00 H new ATOM 267 N HIS A 18 7.718 -4.097 1.473 1.00 10.00 N ATOM 268 CA HIS A 18 6.390 -4.680 1.577 1.00 10.00 C ATOM 269 C HIS A 18 6.358 -6.065 0.986 1.00 10.00 C ATOM 270 O HIS A 18 7.066 -6.363 0.032 1.00 10.00 O ATOM 271 CB HIS A 18 5.408 -3.846 0.774 1.00 10.00 C ATOM 272 CG HIS A 18 4.931 -2.669 1.548 1.00 10.00 C ATOM 273 ND1 HIS A 18 4.357 -2.677 2.791 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.710 -1.456 0.998 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.730 -1.498 2.947 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.965 -0.686 1.887 1.00 10.00 N ATOM 0 H HIS A 18 8.066 -4.064 0.515 1.00 10.00 H new ATOM 0 HA HIS A 18 6.129 -4.713 2.635 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.884 -3.509 -0.147 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.557 -4.462 0.486 1.00 10.00 H new ATOM 0 HD1 HIS A 18 4.398 -3.436 3.472 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.055 -1.135 0.026 1.00 10.00 H new ATOM 0 HE1 HIS A 18 3.122 -1.234 3.800 1.00 10.00 H new ATOM 284 N THR A 19 5.428 -6.863 1.497 1.00 10.00 N ATOM 285 CA THR A 19 5.270 -8.232 1.092 1.00 10.00 C ATOM 286 C THR A 19 3.786 -8.536 1.049 1.00 10.00 C ATOM 287 O THR A 19 3.103 -8.187 2.001 1.00 10.00 O ATOM 288 CB THR A 19 5.939 -9.107 2.146 1.00 10.00 C ATOM 289 OG1 THR A 19 7.291 -8.769 2.379 1.00 10.00 O ATOM 290 CG2 THR A 19 5.838 -10.522 1.620 1.00 10.00 C ATOM 0 H THR A 19 4.762 -6.564 2.210 1.00 10.00 H new ATOM 0 HA THR A 19 5.715 -8.417 0.114 1.00 10.00 H new ATOM 0 HB THR A 19 5.443 -8.973 3.107 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.657 -9.349 3.079 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.301 -11.208 2.330 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.789 -10.788 1.490 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.352 -10.591 0.661 1.00 10.00 H new ATOM 298 N VAL A 20 3.279 -9.161 -0.013 1.00 10.00 N ATOM 299 CA VAL A 20 1.854 -9.415 -0.171 1.00 10.00 C ATOM 300 C VAL A 20 1.595 -10.910 -0.310 1.00 10.00 C ATOM 301 O VAL A 20 0.874 -11.352 -1.200 1.00 10.00 O ATOM 302 CB VAL A 20 1.320 -8.615 -1.359 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.363 -7.120 -1.054 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.079 -8.866 -2.662 1.00 10.00 C ATOM 0 H VAL A 20 3.848 -9.504 -0.787 1.00 10.00 H new ATOM 0 HA VAL A 20 1.317 -9.084 0.718 1.00 10.00 H new ATOM 0 HB VAL A 20 0.295 -8.957 -1.505 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.980 -6.563 -1.909 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.748 -6.909 -0.179 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.392 -6.818 -0.856 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.643 -8.264 -3.459 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.126 -8.592 -2.532 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.010 -9.921 -2.926 1.00 10.00 H new ATOM 314 N GLU A 21 2.202 -11.682 0.587 1.00 10.00 N ATOM 315 CA GLU A 21 2.082 -13.121 0.635 1.00 10.00 C ATOM 316 C GLU A 21 2.232 -13.529 2.097 1.00 10.00 C ATOM 317 O GLU A 21 2.844 -12.807 2.891 1.00 10.00 O ATOM 318 CB GLU A 21 3.106 -13.767 -0.313 1.00 10.00 C ATOM 319 CG GLU A 21 4.554 -13.534 0.137 1.00 10.00 C ATOM 320 CD GLU A 21 5.526 -13.495 -1.034 1.00 10.00 C ATOM 321 OE1 GLU A 21 5.469 -12.486 -1.771 1.00 10.00 O ATOM 322 OE2 GLU A 21 6.314 -14.456 -1.158 1.00 10.00 O ATOM 0 H GLU A 21 2.806 -11.305 1.317 1.00 10.00 H new ATOM 0 HA GLU A 21 1.113 -13.474 0.282 1.00 10.00 H new ATOM 0 HB2 GLU A 21 2.916 -14.839 -0.372 1.00 10.00 H new ATOM 0 HB3 GLU A 21 2.972 -13.364 -1.317 1.00 10.00 H new ATOM 0 HG2 GLU A 21 4.614 -12.595 0.687 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.850 -14.326 0.825 1.00 10.00 H new ATOM 329 N LYS A 22 1.611 -14.643 2.474 1.00 10.00 N ATOM 330 CA LYS A 22 1.640 -15.121 3.842 1.00 10.00 C ATOM 331 C LYS A 22 3.061 -15.582 4.184 1.00 10.00 C ATOM 332 O LYS A 22 3.748 -16.170 3.353 1.00 10.00 O ATOM 333 CB LYS A 22 0.593 -16.233 3.970 1.00 10.00 C ATOM 334 CG LYS A 22 0.157 -16.558 5.405 1.00 10.00 C ATOM 335 CD LYS A 22 1.082 -17.582 6.081 1.00 10.00 C ATOM 336 CE LYS A 22 0.343 -18.329 7.201 1.00 10.00 C ATOM 337 NZ LYS A 22 1.049 -19.566 7.591 1.00 10.00 N ATOM 0 H LYS A 22 1.076 -15.234 1.838 1.00 10.00 H new ATOM 0 HA LYS A 22 1.388 -14.338 4.558 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -0.288 -15.948 3.395 1.00 10.00 H new ATOM 0 HB3 LYS A 22 0.991 -17.139 3.514 1.00 10.00 H new ATOM 0 HG2 LYS A 22 0.143 -15.641 5.994 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -0.862 -16.945 5.393 1.00 10.00 H new ATOM 0 HD2 LYS A 22 1.445 -18.295 5.341 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.955 -17.075 6.491 1.00 10.00 H new ATOM 0 HE2 LYS A 22 0.244 -17.677 8.069 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -0.666 -18.575 6.870 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 0.521 -20.043 8.349 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 1.121 -20.198 6.769 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 2.003 -19.329 7.930 1.00 10.00 H new ATOM 351 N GLY A 23 3.514 -15.320 5.414 1.00 10.00 N ATOM 352 CA GLY A 23 4.843 -15.728 5.859 1.00 10.00 C ATOM 353 C GLY A 23 5.947 -14.927 5.169 1.00 10.00 C ATOM 354 O GLY A 23 7.043 -15.434 4.947 1.00 10.00 O ATOM 0 H GLY A 23 2.972 -14.823 6.121 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.920 -15.597 6.938 1.00 10.00 H new ATOM 0 HA3 GLY A 23 4.984 -16.790 5.656 1.00 10.00 H new ATOM 358 N GLY A 24 5.671 -13.651 4.891 1.00 10.00 N ATOM 359 CA GLY A 24 6.562 -12.763 4.163 1.00 10.00 C ATOM 360 C GLY A 24 7.292 -11.757 5.057 1.00 10.00 C ATOM 361 O GLY A 24 7.903 -10.809 4.556 1.00 10.00 O ATOM 0 H GLY A 24 4.800 -13.202 5.175 1.00 10.00 H new ATOM 0 HA2 GLY A 24 7.299 -13.361 3.627 1.00 10.00 H new ATOM 0 HA3 GLY A 24 5.987 -12.219 3.414 1.00 10.00 H new ATOM 365 N LYS A 25 7.225 -11.976 6.376 1.00 10.00 N ATOM 366 CA LYS A 25 7.766 -11.102 7.410 1.00 10.00 C ATOM 367 C LYS A 25 7.184 -9.685 7.304 1.00 10.00 C ATOM 368 O LYS A 25 6.187 -9.468 6.621 1.00 10.00 O ATOM 369 CB LYS A 25 9.305 -11.156 7.417 1.00 10.00 C ATOM 370 CG LYS A 25 9.806 -12.611 7.387 1.00 10.00 C ATOM 371 CD LYS A 25 11.172 -12.745 8.078 1.00 10.00 C ATOM 372 CE LYS A 25 11.701 -14.189 8.035 1.00 10.00 C ATOM 373 NZ LYS A 25 11.163 -15.034 9.124 1.00 10.00 N ATOM 0 H LYS A 25 6.772 -12.804 6.762 1.00 10.00 H new ATOM 0 HA LYS A 25 7.451 -11.466 8.388 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.695 -10.615 6.555 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.686 -10.655 8.307 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.081 -13.258 7.881 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.884 -12.950 6.354 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.889 -12.082 7.595 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.087 -12.421 9.115 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.444 -14.636 7.075 1.00 10.00 H new ATOM 0 HE3 LYS A 25 12.789 -14.174 8.098 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 11.554 -15.994 9.044 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 11.430 -14.627 10.043 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 10.126 -15.075 9.052 1.00 10.00 H new ATOM 387 N HIS A 26 7.778 -8.728 8.016 1.00 10.00 N ATOM 388 CA HIS A 26 7.358 -7.336 8.032 1.00 10.00 C ATOM 389 C HIS A 26 8.584 -6.521 8.436 1.00 10.00 C ATOM 390 O HIS A 26 9.148 -6.765 9.499 1.00 10.00 O ATOM 391 CB HIS A 26 6.156 -7.136 8.975 1.00 10.00 C ATOM 392 CG HIS A 26 6.126 -8.025 10.199 1.00 10.00 C ATOM 393 ND1 HIS A 26 5.296 -9.111 10.375 1.00 10.00 N ATOM 394 CD2 HIS A 26 6.889 -7.902 11.330 1.00 10.00 C ATOM 395 CE1 HIS A 26 5.564 -9.634 11.585 1.00 10.00 C ATOM 396 NE2 HIS A 26 6.530 -8.936 12.201 1.00 10.00 N ATOM 0 H HIS A 26 8.586 -8.909 8.612 1.00 10.00 H new ATOM 0 HA HIS A 26 7.006 -7.005 7.055 1.00 10.00 H new ATOM 0 HB2 HIS A 26 6.145 -6.097 9.303 1.00 10.00 H new ATOM 0 HB3 HIS A 26 5.241 -7.301 8.407 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.634 -7.143 11.516 1.00 10.00 H new ATOM 0 HE1 HIS A 26 5.069 -10.498 12.003 1.00 10.00 H new ATOM 0 HE2 HIS A 26 6.925 -9.123 13.123 1.00 10.00 H new ATOM 404 N LYS A 27 9.049 -5.635 7.552 1.00 10.00 N ATOM 405 CA LYS A 27 10.191 -4.767 7.805 1.00 10.00 C ATOM 406 C LYS A 27 9.662 -3.370 8.131 1.00 10.00 C ATOM 407 O LYS A 27 9.421 -3.057 9.293 1.00 10.00 O ATOM 408 CB LYS A 27 11.133 -4.780 6.589 1.00 10.00 C ATOM 409 CG LYS A 27 11.911 -6.100 6.475 1.00 10.00 C ATOM 410 CD LYS A 27 11.808 -6.701 5.064 1.00 10.00 C ATOM 411 CE LYS A 27 12.879 -7.791 4.879 1.00 10.00 C ATOM 412 NZ LYS A 27 12.438 -8.880 3.981 1.00 10.00 N ATOM 0 H LYS A 27 8.634 -5.502 6.630 1.00 10.00 H new ATOM 0 HA LYS A 27 10.777 -5.117 8.655 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.553 -4.622 5.680 1.00 10.00 H new ATOM 0 HB3 LYS A 27 11.836 -3.951 6.667 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.959 -5.927 6.721 1.00 10.00 H new ATOM 0 HG3 LYS A 27 11.526 -6.814 7.203 1.00 10.00 H new ATOM 0 HD2 LYS A 27 10.815 -7.125 4.911 1.00 10.00 H new ATOM 0 HD3 LYS A 27 11.939 -5.919 4.316 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.786 -7.339 4.477 1.00 10.00 H new ATOM 0 HE3 LYS A 27 13.137 -8.210 5.852 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 13.197 -9.586 3.892 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 11.589 -9.333 4.375 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 12.218 -8.489 3.043 1.00 10.00 H new ATOM 426 N THR A 28 9.455 -2.544 7.105 1.00 10.00 N ATOM 427 CA THR A 28 8.958 -1.186 7.243 1.00 10.00 C ATOM 428 C THR A 28 7.593 -1.125 6.579 1.00 10.00 C ATOM 429 O THR A 28 7.415 -0.555 5.512 1.00 10.00 O ATOM 430 CB THR A 28 9.982 -0.201 6.663 1.00 10.00 C ATOM 431 OG1 THR A 28 11.187 -0.331 7.388 1.00 10.00 O ATOM 432 CG2 THR A 28 9.517 1.258 6.736 1.00 10.00 C ATOM 0 H THR A 28 9.634 -2.811 6.137 1.00 10.00 H new ATOM 0 HA THR A 28 8.831 -0.896 8.286 1.00 10.00 H new ATOM 0 HB THR A 28 10.114 -0.446 5.609 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.854 0.291 7.029 1.00 10.00 H new ATOM 0 HG21 THR A 28 10.284 1.906 6.311 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.591 1.373 6.173 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.345 1.534 7.777 1.00 10.00 H new ATOM 440 N GLY A 29 6.608 -1.718 7.235 1.00 10.00 N ATOM 441 CA GLY A 29 5.249 -1.751 6.745 1.00 10.00 C ATOM 442 C GLY A 29 4.754 -3.169 6.923 1.00 10.00 C ATOM 443 O GLY A 29 5.572 -4.093 6.974 1.00 10.00 O ATOM 0 H GLY A 29 6.736 -2.192 8.129 1.00 10.00 H new ATOM 0 HA2 GLY A 29 4.622 -1.051 7.297 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.209 -1.456 5.696 1.00 10.00 H new ATOM 447 N PRO A 30 3.440 -3.362 7.044 1.00 10.00 N ATOM 448 CA PRO A 30 2.926 -4.684 7.261 1.00 10.00 C ATOM 449 C PRO A 30 2.788 -5.490 6.003 1.00 10.00 C ATOM 450 O PRO A 30 2.724 -4.958 4.898 1.00 10.00 O ATOM 451 CB PRO A 30 1.593 -4.479 7.993 1.00 10.00 C ATOM 452 CG PRO A 30 1.151 -3.045 7.675 1.00 10.00 C ATOM 453 CD PRO A 30 2.412 -2.339 7.177 1.00 10.00 C ATOM 0 HA PRO A 30 3.621 -5.281 7.852 1.00 10.00 H new ATOM 0 HB2 PRO A 30 0.848 -5.200 7.656 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.712 -4.621 9.067 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.368 -3.033 6.917 1.00 10.00 H new ATOM 0 HG3 PRO A 30 0.747 -2.552 8.559 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.229 -1.848 6.221 1.00 10.00 H new ATOM 0 HD3 PRO A 30 2.725 -1.565 7.878 1.00 10.00 H new ATOM 461 N ASN A 31 2.812 -6.811 6.207 1.00 10.00 N ATOM 462 CA ASN A 31 2.621 -7.747 5.136 1.00 10.00 C ATOM 463 C ASN A 31 1.233 -7.489 4.594 1.00 10.00 C ATOM 464 O ASN A 31 0.224 -7.665 5.275 1.00 10.00 O ATOM 465 CB ASN A 31 2.830 -9.197 5.572 1.00 10.00 C ATOM 466 CG ASN A 31 1.827 -9.678 6.614 1.00 10.00 C ATOM 467 OD1 ASN A 31 1.670 -9.061 7.664 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.176 -10.808 6.351 1.00 10.00 N ATOM 0 H ASN A 31 2.964 -7.242 7.119 1.00 10.00 H new ATOM 0 HA ASN A 31 3.370 -7.602 4.358 1.00 10.00 H new ATOM 0 HB2 ASN A 31 2.767 -9.842 4.696 1.00 10.00 H new ATOM 0 HB3 ASN A 31 3.837 -9.304 5.975 1.00 10.00 H new ATOM 0 HD21 ASN A 31 0.520 -11.189 7.033 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.332 -11.293 5.467 1.00 10.00 H new ATOM 475 N LEU A 32 1.213 -7.012 3.363 1.00 10.00 N ATOM 476 CA LEU A 32 0.067 -6.541 2.646 1.00 10.00 C ATOM 477 C LEU A 32 -0.737 -7.738 2.116 1.00 10.00 C ATOM 478 O LEU A 32 -1.079 -7.838 0.943 1.00 10.00 O ATOM 479 CB LEU A 32 0.606 -5.482 1.639 1.00 10.00 C ATOM 480 CG LEU A 32 0.360 -4.062 2.108 1.00 10.00 C ATOM 481 CD1 LEU A 32 1.488 -3.261 2.693 1.00 10.00 C ATOM 482 CD2 LEU A 32 -0.317 -3.236 0.996 1.00 10.00 C ATOM 0 H LEU A 32 2.066 -6.943 2.807 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.687 -6.023 3.239 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.676 -5.634 1.494 1.00 10.00 H new ATOM 0 HB3 LEU A 32 0.129 -5.630 0.670 1.00 10.00 H new ATOM 0 HG LEU A 32 -0.279 -4.240 2.973 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.125 -2.271 2.971 1.00 10.00 H new ATOM 0 HD12 LEU A 32 1.874 -3.768 3.577 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.284 -3.161 1.955 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -0.486 -2.219 1.350 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.327 -3.212 0.117 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.271 -3.692 0.734 1.00 10.00 H new ATOM 494 N HIS A 33 -1.072 -8.643 3.040 1.00 10.00 N ATOM 495 CA HIS A 33 -1.753 -9.908 2.843 1.00 10.00 C ATOM 496 C HIS A 33 -3.199 -9.748 3.316 1.00 10.00 C ATOM 497 O HIS A 33 -3.615 -10.308 4.328 1.00 10.00 O ATOM 498 CB HIS A 33 -0.980 -10.977 3.625 1.00 10.00 C ATOM 499 CG HIS A 33 -1.605 -12.347 3.603 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.874 -13.126 2.498 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.055 -13.017 4.705 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.479 -14.244 2.939 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.600 -14.230 4.280 1.00 10.00 N ATOM 0 H HIS A 33 -0.852 -8.488 4.024 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.784 -10.214 1.797 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.029 -11.046 3.219 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.885 -10.652 4.661 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.999 -12.669 5.726 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.822 -15.046 2.302 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -3.007 -14.958 4.867 1.00 10.00 H new ATOM 511 N GLY A 34 -3.946 -8.931 2.578 1.00 10.00 N ATOM 512 CA GLY A 34 -5.372 -8.706 2.792 1.00 10.00 C ATOM 513 C GLY A 34 -5.704 -7.221 2.841 1.00 10.00 C ATOM 514 O GLY A 34 -6.509 -6.789 3.663 1.00 10.00 O ATOM 0 H GLY A 34 -3.568 -8.395 1.797 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -5.940 -9.180 1.991 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.680 -9.179 3.725 1.00 10.00 H new ATOM 518 N LEU A 35 -5.093 -6.435 1.947 1.00 10.00 N ATOM 519 CA LEU A 35 -5.350 -5.012 1.870 1.00 10.00 C ATOM 520 C LEU A 35 -6.833 -4.782 1.557 1.00 10.00 C ATOM 521 O LEU A 35 -7.515 -4.019 2.237 1.00 10.00 O ATOM 522 CB LEU A 35 -4.429 -4.396 0.802 1.00 10.00 C ATOM 523 CG LEU A 35 -4.546 -2.871 0.674 1.00 10.00 C ATOM 524 CD1 LEU A 35 -3.850 -2.135 1.820 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.927 -2.426 -0.646 1.00 10.00 C ATOM 0 H LEU A 35 -4.413 -6.774 1.266 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.135 -4.525 2.821 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.396 -4.651 1.038 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.657 -4.849 -0.163 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.606 -2.622 0.712 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -3.962 -1.059 1.683 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.301 -2.429 2.768 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -2.791 -2.392 1.827 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -4.009 -1.343 -0.739 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.876 -2.714 -0.670 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.453 -2.902 -1.473 1.00 10.00 H new ATOM 537 N PHE A 36 -7.332 -5.478 0.533 1.00 10.00 N ATOM 538 CA PHE A 36 -8.728 -5.421 0.137 1.00 10.00 C ATOM 539 C PHE A 36 -9.543 -6.322 1.057 1.00 10.00 C ATOM 540 O PHE A 36 -9.558 -7.536 0.873 1.00 10.00 O ATOM 541 CB PHE A 36 -8.884 -5.861 -1.323 1.00 10.00 C ATOM 542 CG PHE A 36 -8.019 -5.074 -2.282 1.00 10.00 C ATOM 543 CD1 PHE A 36 -8.391 -3.779 -2.680 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.764 -5.579 -2.650 1.00 10.00 C ATOM 545 CE1 PHE A 36 -7.530 -3.018 -3.490 1.00 10.00 C ATOM 546 CE2 PHE A 36 -5.886 -4.801 -3.416 1.00 10.00 C ATOM 547 CZ PHE A 36 -6.283 -3.537 -3.877 1.00 10.00 C ATOM 0 H PHE A 36 -6.768 -6.101 -0.045 1.00 10.00 H new ATOM 0 HA PHE A 36 -9.091 -4.397 0.222 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.635 -6.919 -1.405 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.928 -5.756 -1.617 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -9.338 -3.368 -2.364 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -6.473 -6.572 -2.342 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -7.828 -2.032 -3.816 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -4.901 -5.175 -3.652 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.634 -2.966 -4.525 1.00 10.00 H new ATOM 557 N GLY A 37 -10.236 -5.722 2.026 1.00 10.00 N ATOM 558 CA GLY A 37 -11.149 -6.427 2.918 1.00 10.00 C ATOM 559 C GLY A 37 -10.740 -6.272 4.378 1.00 10.00 C ATOM 560 O GLY A 37 -10.859 -7.207 5.171 1.00 10.00 O ATOM 0 H GLY A 37 -10.176 -4.721 2.213 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.160 -6.044 2.781 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.170 -7.485 2.656 1.00 10.00 H new ATOM 564 N ARG A 38 -10.277 -5.082 4.763 1.00 10.00 N ATOM 565 CA ARG A 38 -9.946 -4.761 6.135 1.00 10.00 C ATOM 566 C ARG A 38 -9.880 -3.240 6.221 1.00 10.00 C ATOM 567 O ARG A 38 -9.444 -2.608 5.261 1.00 10.00 O ATOM 568 CB ARG A 38 -8.601 -5.411 6.487 1.00 10.00 C ATOM 569 CG ARG A 38 -8.342 -5.429 8.000 1.00 10.00 C ATOM 570 CD ARG A 38 -8.088 -6.841 8.554 1.00 10.00 C ATOM 571 NE ARG A 38 -9.195 -7.333 9.392 1.00 10.00 N ATOM 572 CZ ARG A 38 -10.315 -7.954 8.981 1.00 10.00 C ATOM 573 NH1 ARG A 38 -10.608 -8.086 7.684 1.00 10.00 N ATOM 574 NH2 ARG A 38 -11.163 -8.442 9.895 1.00 10.00 N ATOM 0 H ARG A 38 -10.122 -4.310 4.115 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.685 -5.137 6.843 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.582 -6.432 6.105 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -7.797 -4.869 5.989 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -7.481 -4.798 8.222 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.198 -4.993 8.514 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -7.933 -7.530 7.723 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.169 -6.837 9.140 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.102 -7.186 10.397 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -9.975 -7.711 6.977 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -11.465 -8.562 7.401 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -10.956 -8.340 10.889 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -12.016 -8.915 9.598 1.00 10.00 H new ATOM 588 N LYS A 39 -10.345 -2.643 7.326 1.00 10.00 N ATOM 589 CA LYS A 39 -10.196 -1.205 7.493 1.00 10.00 C ATOM 590 C LYS A 39 -8.712 -0.851 7.607 1.00 10.00 C ATOM 591 O LYS A 39 -7.886 -1.704 7.919 1.00 10.00 O ATOM 592 CB LYS A 39 -10.988 -0.661 8.701 1.00 10.00 C ATOM 593 CG LYS A 39 -12.113 0.291 8.262 1.00 10.00 C ATOM 594 CD LYS A 39 -13.391 -0.486 7.920 1.00 10.00 C ATOM 595 CE LYS A 39 -14.321 -0.504 9.146 1.00 10.00 C ATOM 596 NZ LYS A 39 -15.341 -1.570 9.075 1.00 10.00 N ATOM 0 H LYS A 39 -10.814 -3.123 8.094 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.618 -0.724 6.610 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.414 -1.493 9.262 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.310 -0.137 9.374 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -12.320 1.006 9.058 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -11.790 0.866 7.394 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.896 -0.022 7.073 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -13.142 -1.505 7.623 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -13.723 -0.639 10.048 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -14.817 0.462 9.234 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.939 -1.536 9.925 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -15.932 -1.430 8.231 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -14.872 -2.496 9.019 1.00 10.00 H new ATOM 610 N THR A 40 -8.387 0.421 7.383 1.00 10.00 N ATOM 611 CA THR A 40 -7.018 0.903 7.448 1.00 10.00 C ATOM 612 C THR A 40 -6.400 0.615 8.813 1.00 10.00 C ATOM 613 O THR A 40 -5.421 -0.118 8.930 1.00 10.00 O ATOM 614 CB THR A 40 -6.999 2.402 7.130 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.695 3.145 8.118 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.681 2.686 5.792 1.00 10.00 C ATOM 0 H THR A 40 -9.069 1.143 7.152 1.00 10.00 H new ATOM 0 HA THR A 40 -6.414 0.376 6.709 1.00 10.00 H new ATOM 0 HB THR A 40 -5.951 2.699 7.099 1.00 10.00 H new ATOM 0 HG1 THR A 40 -7.129 3.881 8.433 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.654 3.757 5.590 1.00 10.00 H new ATOM 0 HG22 THR A 40 -7.159 2.153 4.997 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.717 2.351 5.833 1.00 10.00 H new ATOM 624 N GLY A 41 -7.013 1.180 9.850 1.00 10.00 N ATOM 625 CA GLY A 41 -6.555 1.101 11.225 1.00 10.00 C ATOM 626 C GLY A 41 -6.811 -0.265 11.871 1.00 10.00 C ATOM 627 O GLY A 41 -7.273 -0.307 13.013 1.00 10.00 O ATOM 0 H GLY A 41 -7.871 1.723 9.747 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.487 1.316 11.258 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.054 1.872 11.812 1.00 10.00 H new ATOM 631 N GLN A 42 -6.520 -1.353 11.146 1.00 10.00 N ATOM 632 CA GLN A 42 -6.692 -2.750 11.537 1.00 10.00 C ATOM 633 C GLN A 42 -5.486 -3.555 11.034 1.00 10.00 C ATOM 634 O GLN A 42 -5.642 -4.612 10.423 1.00 10.00 O ATOM 635 CB GLN A 42 -7.991 -3.311 10.930 1.00 10.00 C ATOM 636 CG GLN A 42 -9.281 -2.613 11.376 1.00 10.00 C ATOM 637 CD GLN A 42 -9.685 -2.983 12.802 1.00 10.00 C ATOM 638 OE1 GLN A 42 -8.937 -2.785 13.752 1.00 10.00 O ATOM 639 NE2 GLN A 42 -10.883 -3.534 12.977 1.00 10.00 N ATOM 0 H GLN A 42 -6.132 -1.270 10.207 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.758 -2.824 12.623 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.921 -3.248 9.844 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.064 -4.368 11.184 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.148 -1.533 11.308 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -10.088 -2.878 10.693 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -11.494 -3.692 12.175 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.191 -3.798 13.913 1.00 10.00 H new ATOM 648 N ALA A 43 -4.280 -3.038 11.277 1.00 10.00 N ATOM 649 CA ALA A 43 -3.037 -3.718 10.937 1.00 10.00 C ATOM 650 C ALA A 43 -2.780 -4.854 11.947 1.00 10.00 C ATOM 651 O ALA A 43 -3.458 -4.907 12.973 1.00 10.00 O ATOM 652 CB ALA A 43 -1.911 -2.673 10.920 1.00 10.00 C ATOM 0 H ALA A 43 -4.142 -2.129 11.719 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.089 -4.179 9.951 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.968 -3.158 10.667 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.136 -1.908 10.177 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.829 -2.210 11.904 1.00 10.00 H new ATOM 658 N PRO A 44 -1.839 -5.777 11.681 1.00 10.00 N ATOM 659 CA PRO A 44 -1.445 -6.794 12.649 1.00 10.00 C ATOM 660 C PRO A 44 -0.560 -6.168 13.741 1.00 10.00 C ATOM 661 O PRO A 44 -0.580 -4.958 13.933 1.00 10.00 O ATOM 662 CB PRO A 44 -0.759 -7.889 11.817 1.00 10.00 C ATOM 663 CG PRO A 44 -0.264 -7.186 10.551 1.00 10.00 C ATOM 664 CD PRO A 44 -1.129 -5.932 10.422 1.00 10.00 C ATOM 0 HA PRO A 44 -2.279 -7.229 13.199 1.00 10.00 H new ATOM 0 HB2 PRO A 44 0.068 -8.339 12.366 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -1.455 -8.692 11.574 1.00 10.00 H new ATOM 0 HG2 PRO A 44 0.792 -6.929 10.631 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -0.370 -7.829 9.677 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -0.512 -5.057 10.216 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -1.830 -6.030 9.593 1.00 10.00 H new ATOM 672 N GLY A 45 0.235 -6.977 14.455 1.00 10.00 N ATOM 673 CA GLY A 45 1.121 -6.523 15.529 1.00 10.00 C ATOM 674 C GLY A 45 2.034 -5.350 15.147 1.00 10.00 C ATOM 675 O GLY A 45 2.493 -4.622 16.024 1.00 10.00 O ATOM 0 H GLY A 45 0.279 -7.984 14.297 1.00 10.00 H new ATOM 0 HA2 GLY A 45 0.513 -6.230 16.385 1.00 10.00 H new ATOM 0 HA3 GLY A 45 1.741 -7.360 15.850 1.00 10.00 H new ATOM 679 N PHE A 46 2.311 -5.189 13.847 1.00 10.00 N ATOM 680 CA PHE A 46 2.952 -4.015 13.268 1.00 10.00 C ATOM 681 C PHE A 46 2.433 -2.714 13.919 1.00 10.00 C ATOM 682 O PHE A 46 1.226 -2.546 14.081 1.00 10.00 O ATOM 683 CB PHE A 46 2.647 -4.003 11.763 1.00 10.00 C ATOM 684 CG PHE A 46 3.115 -2.762 11.028 1.00 10.00 C ATOM 685 CD1 PHE A 46 4.474 -2.601 10.699 1.00 10.00 C ATOM 686 CD2 PHE A 46 2.214 -1.703 10.807 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.939 -1.363 10.223 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.675 -0.478 10.296 1.00 10.00 C ATOM 689 CZ PHE A 46 4.043 -0.295 10.046 1.00 10.00 C ATOM 0 H PHE A 46 2.085 -5.900 13.151 1.00 10.00 H new ATOM 0 HA PHE A 46 4.026 -4.064 13.446 1.00 10.00 H new ATOM 0 HB2 PHE A 46 3.112 -4.876 11.306 1.00 10.00 H new ATOM 0 HB3 PHE A 46 1.571 -4.106 11.624 1.00 10.00 H new ATOM 0 HD1 PHE A 46 5.159 -3.428 10.812 1.00 10.00 H new ATOM 0 HD2 PHE A 46 1.165 -1.833 11.031 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.986 -1.232 9.993 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.977 0.322 10.096 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.408 0.667 9.717 1.00 10.00 H new ATOM 699 N THR A 47 3.334 -1.793 14.275 1.00 10.00 N ATOM 700 CA THR A 47 3.010 -0.508 14.889 1.00 10.00 C ATOM 701 C THR A 47 1.907 0.241 14.131 1.00 10.00 C ATOM 702 O THR A 47 1.950 0.342 12.913 1.00 10.00 O ATOM 703 CB THR A 47 4.297 0.324 14.941 1.00 10.00 C ATOM 704 OG1 THR A 47 5.277 -0.427 15.631 1.00 10.00 O ATOM 705 CG2 THR A 47 4.094 1.676 15.634 1.00 10.00 C ATOM 0 H THR A 47 4.336 -1.928 14.139 1.00 10.00 H new ATOM 0 HA THR A 47 2.620 -0.680 15.892 1.00 10.00 H new ATOM 0 HB THR A 47 4.611 0.540 13.920 1.00 10.00 H new ATOM 0 HG1 THR A 47 6.111 0.086 15.675 1.00 10.00 H new ATOM 0 HG21 THR A 47 5.036 2.225 15.644 1.00 10.00 H new ATOM 0 HG22 THR A 47 3.343 2.253 15.094 1.00 10.00 H new ATOM 0 HG23 THR A 47 3.758 1.513 16.658 1.00 10.00 H new ATOM 713 N TYR A 48 0.930 0.796 14.847 1.00 10.00 N ATOM 714 CA TYR A 48 -0.182 1.526 14.251 1.00 10.00 C ATOM 715 C TYR A 48 0.143 3.016 14.219 1.00 10.00 C ATOM 716 O TYR A 48 1.027 3.470 14.945 1.00 10.00 O ATOM 717 CB TYR A 48 -1.443 1.287 15.089 1.00 10.00 C ATOM 718 CG TYR A 48 -1.781 -0.176 15.302 1.00 10.00 C ATOM 719 CD1 TYR A 48 -1.137 -0.906 16.319 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.731 -0.811 14.482 1.00 10.00 C ATOM 721 CE1 TYR A 48 -1.416 -2.270 16.494 1.00 10.00 C ATOM 722 CE2 TYR A 48 -3.070 -2.154 14.715 1.00 10.00 C ATOM 723 CZ TYR A 48 -2.388 -2.894 15.696 1.00 10.00 C ATOM 724 OH TYR A 48 -2.774 -4.169 15.979 1.00 10.00 O ATOM 0 H TYR A 48 0.890 0.750 15.865 1.00 10.00 H new ATOM 0 HA TYR A 48 -0.349 1.177 13.232 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.315 1.764 16.061 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -2.287 1.776 14.602 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -0.426 -0.415 16.967 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -3.199 -0.267 13.675 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -0.884 -2.839 17.242 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -3.856 -2.619 14.139 1.00 10.00 H new ATOM 0 HH TYR A 48 -3.044 -4.620 15.152 1.00 10.00 H new ATOM 734 N THR A 49 -0.611 3.770 13.415 1.00 10.00 N ATOM 735 CA THR A 49 -0.337 5.173 13.156 1.00 10.00 C ATOM 736 C THR A 49 -1.642 5.954 13.037 1.00 10.00 C ATOM 737 O THR A 49 -2.613 5.461 12.454 1.00 10.00 O ATOM 738 CB THR A 49 0.487 5.266 11.870 1.00 10.00 C ATOM 739 OG1 THR A 49 1.659 4.499 12.029 1.00 10.00 O ATOM 740 CG2 THR A 49 0.912 6.694 11.572 1.00 10.00 C ATOM 0 H THR A 49 -1.433 3.415 12.925 1.00 10.00 H new ATOM 0 HA THR A 49 0.226 5.611 13.980 1.00 10.00 H new ATOM 0 HB THR A 49 -0.133 4.903 11.050 1.00 10.00 H new ATOM 0 HG1 THR A 49 1.836 3.998 11.206 1.00 10.00 H new ATOM 0 HG21 THR A 49 1.495 6.716 10.651 1.00 10.00 H new ATOM 0 HG22 THR A 49 0.027 7.320 11.457 1.00 10.00 H new ATOM 0 HG23 THR A 49 1.519 7.072 12.394 1.00 10.00 H new ATOM 748 N ASP A 50 -1.647 7.183 13.565 1.00 10.00 N ATOM 749 CA ASP A 50 -2.808 8.055 13.588 1.00 10.00 C ATOM 750 C ASP A 50 -3.372 8.230 12.192 1.00 10.00 C ATOM 751 O ASP A 50 -4.500 7.834 11.934 1.00 10.00 O ATOM 752 CB ASP A 50 -2.437 9.416 14.185 1.00 10.00 C ATOM 753 CG ASP A 50 -2.216 9.292 15.680 1.00 10.00 C ATOM 754 OD1 ASP A 50 -1.073 8.935 16.036 1.00 10.00 O ATOM 755 OD2 ASP A 50 -3.198 9.514 16.419 1.00 10.00 O ATOM 0 H ASP A 50 -0.822 7.600 13.996 1.00 10.00 H new ATOM 0 HA ASP A 50 -3.573 7.594 14.213 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -1.534 9.796 13.707 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -3.230 10.136 13.986 1.00 10.00 H new ATOM 760 N ALA A 51 -2.589 8.815 11.285 1.00 10.00 N ATOM 761 CA ALA A 51 -3.049 9.168 9.946 1.00 10.00 C ATOM 762 C ALA A 51 -3.601 7.946 9.211 1.00 10.00 C ATOM 763 O ALA A 51 -4.681 8.001 8.624 1.00 10.00 O ATOM 764 CB ALA A 51 -1.912 9.821 9.161 1.00 10.00 C ATOM 0 H ALA A 51 -1.614 9.057 11.461 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.865 9.885 10.036 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -2.262 10.082 8.162 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -1.584 10.723 9.678 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -1.077 9.124 9.082 1.00 10.00 H new ATOM 770 N ASN A 52 -2.860 6.837 9.256 1.00 10.00 N ATOM 771 CA ASN A 52 -3.310 5.574 8.688 1.00 10.00 C ATOM 772 C ASN A 52 -4.698 5.208 9.223 1.00 10.00 C ATOM 773 O ASN A 52 -5.604 4.885 8.458 1.00 10.00 O ATOM 774 CB ASN A 52 -2.306 4.464 9.004 1.00 10.00 C ATOM 775 CG ASN A 52 -2.774 3.150 8.392 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.456 2.366 9.041 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.441 2.915 7.127 1.00 10.00 N ATOM 0 H ASN A 52 -1.936 6.793 9.686 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.378 5.685 7.606 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.324 4.728 8.612 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.200 4.355 10.083 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -2.755 2.060 6.667 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -1.872 3.589 6.616 1.00 10.00 H new ATOM 784 N LYS A 53 -4.880 5.280 10.541 1.00 10.00 N ATOM 785 CA LYS A 53 -6.148 4.957 11.174 1.00 10.00 C ATOM 786 C LYS A 53 -7.225 6.000 10.847 1.00 10.00 C ATOM 787 O LYS A 53 -8.394 5.657 10.695 1.00 10.00 O ATOM 788 CB LYS A 53 -5.893 4.790 12.674 1.00 10.00 C ATOM 789 CG LYS A 53 -7.116 4.282 13.446 1.00 10.00 C ATOM 790 CD LYS A 53 -6.673 3.215 14.456 1.00 10.00 C ATOM 791 CE LYS A 53 -7.805 2.898 15.441 1.00 10.00 C ATOM 792 NZ LYS A 53 -7.647 1.559 16.047 1.00 10.00 N ATOM 0 H LYS A 53 -4.151 5.564 11.195 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.546 4.021 10.783 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.066 4.095 12.819 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.581 5.748 13.091 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.603 5.109 13.963 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -7.848 3.863 12.755 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -6.379 2.308 13.928 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -5.797 3.565 15.002 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -7.825 3.653 16.227 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -8.763 2.952 14.923 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -8.431 1.382 16.707 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -7.654 0.836 15.299 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -6.745 1.515 16.562 1.00 10.00 H new ATOM 806 N ASN A 54 -6.821 7.263 10.691 1.00 10.00 N ATOM 807 CA ASN A 54 -7.676 8.396 10.357 1.00 10.00 C ATOM 808 C ASN A 54 -8.297 8.242 8.969 1.00 10.00 C ATOM 809 O ASN A 54 -9.252 8.936 8.638 1.00 10.00 O ATOM 810 CB ASN A 54 -6.859 9.700 10.425 1.00 10.00 C ATOM 811 CG ASN A 54 -7.643 10.832 11.071 1.00 10.00 C ATOM 812 OD1 ASN A 54 -8.044 11.788 10.417 1.00 10.00 O ATOM 813 ND2 ASN A 54 -7.832 10.741 12.385 1.00 10.00 N ATOM 0 H ASN A 54 -5.843 7.532 10.800 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.488 8.432 11.083 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.943 9.525 10.990 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -6.561 9.994 9.419 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -8.325 11.483 12.882 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -7.484 9.930 12.895 1.00 10.00 H new ATOM 820 N LYS A 55 -7.733 7.355 8.145 1.00 10.00 N ATOM 821 CA LYS A 55 -8.141 7.167 6.766 1.00 10.00 C ATOM 822 C LYS A 55 -9.586 6.687 6.671 1.00 10.00 C ATOM 823 O LYS A 55 -10.383 7.258 5.933 1.00 10.00 O ATOM 824 CB LYS A 55 -7.188 6.155 6.144 1.00 10.00 C ATOM 825 CG LYS A 55 -7.268 6.123 4.615 1.00 10.00 C ATOM 826 CD LYS A 55 -5.875 6.156 3.977 1.00 10.00 C ATOM 827 CE LYS A 55 -5.481 7.558 3.503 1.00 10.00 C ATOM 828 NZ LYS A 55 -6.129 7.892 2.218 1.00 10.00 N ATOM 0 H LYS A 55 -6.969 6.742 8.430 1.00 10.00 H new ATOM 0 HA LYS A 55 -8.096 8.115 6.230 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.167 6.392 6.445 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.413 5.163 6.535 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.794 5.223 4.296 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.851 6.974 4.263 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.140 5.800 4.699 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.850 5.469 3.131 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -5.764 8.292 4.257 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.398 7.616 3.393 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -6.253 8.922 2.149 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -5.533 7.562 1.432 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -7.058 7.427 2.167 1.00 10.00 H new ATOM 842 N GLY A 56 -9.902 5.611 7.395 1.00 10.00 N ATOM 843 CA GLY A 56 -11.267 5.156 7.570 1.00 10.00 C ATOM 844 C GLY A 56 -11.915 4.678 6.269 1.00 10.00 C ATOM 845 O GLY A 56 -12.914 5.231 5.818 1.00 10.00 O ATOM 0 H GLY A 56 -9.210 5.035 7.874 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -11.282 4.343 8.296 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.863 5.967 7.988 1.00 10.00 H new ATOM 849 N ILE A 57 -11.364 3.612 5.686 1.00 10.00 N ATOM 850 CA ILE A 57 -11.814 2.990 4.446 1.00 10.00 C ATOM 851 C ILE A 57 -11.264 1.562 4.421 1.00 10.00 C ATOM 852 O ILE A 57 -10.389 1.234 5.222 1.00 10.00 O ATOM 853 CB ILE A 57 -11.325 3.775 3.207 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.944 4.387 3.431 1.00 10.00 C ATOM 855 CG2 ILE A 57 -12.324 4.852 2.758 1.00 10.00 C ATOM 856 CD1 ILE A 57 -9.203 4.636 2.120 1.00 10.00 C ATOM 0 H ILE A 57 -10.554 3.139 6.087 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.903 2.989 4.410 1.00 10.00 H new ATOM 0 HB ILE A 57 -11.248 3.045 2.401 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -10.049 5.328 3.971 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -9.352 3.722 4.060 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -11.930 5.372 1.885 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -13.274 4.383 2.503 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -12.477 5.566 3.567 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -8.226 5.072 2.331 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -9.072 3.692 1.591 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -9.780 5.322 1.500 1.00 10.00 H new ATOM 868 N THR A 58 -11.765 0.742 3.491 1.00 10.00 N ATOM 869 CA THR A 58 -11.386 -0.658 3.291 1.00 10.00 C ATOM 870 C THR A 58 -10.230 -0.812 2.288 1.00 10.00 C ATOM 871 O THR A 58 -9.928 -1.925 1.873 1.00 10.00 O ATOM 872 CB THR A 58 -12.658 -1.434 2.886 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.522 -1.453 4.006 1.00 10.00 O ATOM 874 CG2 THR A 58 -12.447 -2.882 2.421 1.00 10.00 C ATOM 0 H THR A 58 -12.477 1.051 2.829 1.00 10.00 H new ATOM 0 HA THR A 58 -10.992 -1.079 4.216 1.00 10.00 H new ATOM 0 HB THR A 58 -13.062 -0.910 2.020 1.00 10.00 H new ATOM 0 HG1 THR A 58 -14.342 -1.939 3.778 1.00 10.00 H new ATOM 0 HG21 THR A 58 -13.409 -3.325 2.163 1.00 10.00 H new ATOM 0 HG22 THR A 58 -11.797 -2.892 1.546 1.00 10.00 H new ATOM 0 HG23 THR A 58 -11.985 -3.458 3.223 1.00 10.00 H new ATOM 882 N TRP A 59 -9.587 0.293 1.892 1.00 10.00 N ATOM 883 CA TRP A 59 -8.516 0.305 0.901 1.00 10.00 C ATOM 884 C TRP A 59 -8.946 -0.301 -0.431 1.00 10.00 C ATOM 885 O TRP A 59 -8.747 -1.483 -0.689 1.00 10.00 O ATOM 886 CB TRP A 59 -7.268 -0.392 1.434 1.00 10.00 C ATOM 887 CG TRP A 59 -6.514 0.409 2.427 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.455 0.208 3.757 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.738 1.599 2.157 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.582 1.132 4.304 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.160 2.055 3.372 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.498 2.354 0.997 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.363 3.206 3.431 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.655 3.468 1.027 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.104 3.909 2.243 1.00 10.00 C ATOM 0 H TRP A 59 -9.804 1.219 2.261 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.276 1.351 0.713 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.558 -1.339 1.890 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.610 -0.629 0.598 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -6.998 -0.548 4.305 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.286 1.130 5.280 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.972 2.069 0.069 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -3.956 3.546 4.372 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.426 3.993 0.111 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.480 4.790 2.264 1.00 10.00 H new ATOM 906 N LYS A 60 -9.500 0.541 -1.300 1.00 10.00 N ATOM 907 CA LYS A 60 -9.939 0.146 -2.626 1.00 10.00 C ATOM 908 C LYS A 60 -9.066 0.820 -3.679 1.00 10.00 C ATOM 909 O LYS A 60 -8.437 1.844 -3.389 1.00 10.00 O ATOM 910 CB LYS A 60 -11.423 0.486 -2.769 1.00 10.00 C ATOM 911 CG LYS A 60 -11.710 1.995 -2.767 1.00 10.00 C ATOM 912 CD LYS A 60 -12.980 2.309 -1.962 1.00 10.00 C ATOM 913 CE LYS A 60 -13.583 3.626 -2.465 1.00 10.00 C ATOM 914 NZ LYS A 60 -14.897 3.937 -1.872 1.00 10.00 N ATOM 0 H LYS A 60 -9.656 1.528 -1.096 1.00 10.00 H new ATOM 0 HA LYS A 60 -9.829 -0.928 -2.774 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.799 0.054 -3.697 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -11.975 0.018 -1.954 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -10.862 2.530 -2.340 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.827 2.349 -3.791 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.702 1.500 -2.070 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -12.743 2.386 -0.901 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -12.892 4.440 -2.245 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.685 3.579 -3.549 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -15.246 4.839 -2.255 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.570 3.179 -2.103 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -14.802 4.013 -0.839 1.00 10.00 H new ATOM 928 N GLU A 61 -9.057 0.253 -4.892 1.00 10.00 N ATOM 929 CA GLU A 61 -8.280 0.759 -6.012 1.00 10.00 C ATOM 930 C GLU A 61 -8.465 2.265 -6.176 1.00 10.00 C ATOM 931 O GLU A 61 -7.500 2.960 -6.438 1.00 10.00 O ATOM 932 CB GLU A 61 -8.556 -0.036 -7.298 1.00 10.00 C ATOM 933 CG GLU A 61 -10.013 0.003 -7.790 1.00 10.00 C ATOM 934 CD GLU A 61 -10.202 -0.799 -9.080 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.453 -2.027 -8.985 1.00 10.00 O ATOM 936 OE2 GLU A 61 -10.077 -0.175 -10.151 1.00 10.00 O ATOM 0 H GLU A 61 -9.599 -0.581 -5.118 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.224 0.605 -5.792 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.911 0.348 -8.089 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.273 -1.075 -7.132 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.668 -0.396 -7.016 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.312 1.038 -7.959 1.00 10.00 H new ATOM 943 N GLU A 62 -9.675 2.775 -5.953 1.00 10.00 N ATOM 944 CA GLU A 62 -9.996 4.196 -6.014 1.00 10.00 C ATOM 945 C GLU A 62 -9.096 5.032 -5.092 1.00 10.00 C ATOM 946 O GLU A 62 -8.538 6.046 -5.501 1.00 10.00 O ATOM 947 CB GLU A 62 -11.474 4.352 -5.634 1.00 10.00 C ATOM 948 CG GLU A 62 -12.157 5.561 -6.269 1.00 10.00 C ATOM 949 CD GLU A 62 -13.650 5.515 -5.961 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.983 5.517 -4.752 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.428 5.408 -6.930 1.00 10.00 O ATOM 0 H GLU A 62 -10.480 2.194 -5.719 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.818 4.568 -7.023 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -12.011 3.450 -5.927 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.553 4.432 -4.550 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.722 6.483 -5.883 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.996 5.560 -7.347 1.00 10.00 H new ATOM 958 N THR A 63 -8.946 4.610 -3.834 1.00 10.00 N ATOM 959 CA THR A 63 -8.091 5.313 -2.896 1.00 10.00 C ATOM 960 C THR A 63 -6.645 5.067 -3.299 1.00 10.00 C ATOM 961 O THR A 63 -5.878 6.018 -3.421 1.00 10.00 O ATOM 962 CB THR A 63 -8.384 4.844 -1.468 1.00 10.00 C ATOM 963 OG1 THR A 63 -9.743 5.126 -1.192 1.00 10.00 O ATOM 964 CG2 THR A 63 -7.495 5.544 -0.429 1.00 10.00 C ATOM 0 H THR A 63 -9.408 3.786 -3.449 1.00 10.00 H new ATOM 0 HA THR A 63 -8.282 6.386 -2.920 1.00 10.00 H new ATOM 0 HB THR A 63 -8.173 3.777 -1.400 1.00 10.00 H new ATOM 0 HG1 THR A 63 -10.092 4.466 -0.557 1.00 10.00 H new ATOM 0 HG21 THR A 63 -7.742 5.177 0.567 1.00 10.00 H new ATOM 0 HG22 THR A 63 -6.448 5.333 -0.645 1.00 10.00 H new ATOM 0 HG23 THR A 63 -7.664 6.620 -0.471 1.00 10.00 H new ATOM 972 N LEU A 64 -6.267 3.800 -3.494 1.00 10.00 N ATOM 973 CA LEU A 64 -4.900 3.444 -3.846 1.00 10.00 C ATOM 974 C LEU A 64 -4.410 4.250 -5.054 1.00 10.00 C ATOM 975 O LEU A 64 -3.285 4.740 -5.060 1.00 10.00 O ATOM 976 CB LEU A 64 -4.776 1.938 -4.089 1.00 10.00 C ATOM 977 CG LEU A 64 -5.141 1.060 -2.887 1.00 10.00 C ATOM 978 CD1 LEU A 64 -5.284 -0.382 -3.345 1.00 10.00 C ATOM 979 CD2 LEU A 64 -4.067 1.157 -1.816 1.00 10.00 C ATOM 0 H LEU A 64 -6.898 3.003 -3.412 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.257 3.699 -3.004 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -5.417 1.666 -4.928 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -3.751 1.715 -4.386 1.00 10.00 H new ATOM 0 HG LEU A 64 -6.084 1.406 -2.465 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -5.544 -1.010 -2.493 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -6.070 -0.448 -4.098 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -4.341 -0.723 -3.773 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -4.340 0.528 -0.969 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -3.114 0.821 -2.225 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -3.975 2.192 -1.485 1.00 10.00 H new ATOM 991 N MET A 65 -5.271 4.426 -6.054 1.00 10.00 N ATOM 992 CA MET A 65 -5.010 5.207 -7.244 1.00 10.00 C ATOM 993 C MET A 65 -4.424 6.572 -6.912 1.00 10.00 C ATOM 994 O MET A 65 -3.497 6.998 -7.605 1.00 10.00 O ATOM 995 CB MET A 65 -6.286 5.370 -8.086 1.00 10.00 C ATOM 996 CG MET A 65 -6.444 4.281 -9.152 1.00 10.00 C ATOM 997 SD MET A 65 -7.440 4.689 -10.614 1.00 10.00 S ATOM 998 CE MET A 65 -6.842 6.343 -11.043 1.00 10.00 C ATOM 0 H MET A 65 -6.202 4.010 -6.050 1.00 10.00 H new ATOM 0 HA MET A 65 -4.270 4.659 -7.827 1.00 10.00 H new ATOM 0 HB2 MET A 65 -7.154 5.354 -7.427 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.272 6.346 -8.571 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.449 3.993 -9.491 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.885 3.405 -8.677 1.00 10.00 H new ATOM 0 HE1 MET A 65 -6.960 6.506 -12.114 1.00 10.00 H new ATOM 0 HE2 MET A 65 -7.417 7.091 -10.496 1.00 10.00 H new ATOM 0 HE3 MET A 65 -5.788 6.429 -10.777 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.962 7.236 -5.885 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.468 8.527 -5.456 1.00 10.00 C ATOM 1010 C GLU A 66 -3.334 8.290 -4.476 1.00 10.00 C ATOM 1011 O GLU A 66 -2.219 8.716 -4.715 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.602 9.368 -4.847 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.266 10.226 -5.932 1.00 10.00 C ATOM 1014 CD GLU A 66 -5.306 11.296 -6.466 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -4.837 12.137 -5.662 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -5.001 11.223 -7.674 1.00 10.00 O ATOM 0 H GLU A 66 -5.748 6.887 -5.336 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.091 9.098 -6.305 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.342 8.714 -4.386 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.207 10.008 -4.058 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.594 9.588 -6.752 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -7.157 10.705 -5.525 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.600 7.576 -3.388 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.655 7.343 -2.308 1.00 10.00 C ATOM 1025 C TYR A 67 -1.258 6.981 -2.818 1.00 10.00 C ATOM 1026 O TYR A 67 -0.268 7.609 -2.445 1.00 10.00 O ATOM 1027 CB TYR A 67 -3.212 6.235 -1.415 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.368 5.978 -0.183 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.273 6.947 0.834 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.640 4.780 -0.075 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.569 6.655 2.016 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.930 4.494 1.101 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.965 5.396 2.175 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.522 5.007 3.403 1.00 10.00 O ATOM 0 H TYR A 67 -4.505 7.132 -3.231 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.538 8.267 -1.741 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -4.223 6.501 -1.106 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -3.287 5.315 -1.994 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.740 7.913 0.707 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.627 4.080 -0.897 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.493 7.395 2.799 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.358 3.581 1.179 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.131 4.110 3.341 1.00 10.00 H new ATOM 1044 N LEU A 68 -1.181 5.962 -3.672 1.00 10.00 N ATOM 1045 CA LEU A 68 0.075 5.492 -4.231 1.00 10.00 C ATOM 1046 C LEU A 68 0.698 6.562 -5.135 1.00 10.00 C ATOM 1047 O LEU A 68 1.915 6.732 -5.121 1.00 10.00 O ATOM 1048 CB LEU A 68 -0.140 4.157 -4.965 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.813 3.063 -4.115 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -1.136 1.853 -4.999 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.014 2.610 -2.910 1.00 10.00 C ATOM 0 H LEU A 68 -1.996 5.440 -3.994 1.00 10.00 H new ATOM 0 HA LEU A 68 0.783 5.310 -3.423 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.749 4.338 -5.851 1.00 10.00 H new ATOM 0 HB3 LEU A 68 0.825 3.788 -5.312 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.722 3.508 -3.711 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -1.612 1.079 -4.397 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -1.811 2.157 -5.799 1.00 10.00 H new ATOM 0 HD13 LEU A 68 -0.215 1.461 -5.430 1.00 10.00 H new ATOM 0 HD21 LEU A 68 -0.530 1.839 -2.365 1.00 10.00 H new ATOM 0 HD22 LEU A 68 0.967 2.208 -3.253 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.195 3.460 -2.252 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.133 7.309 -5.872 1.00 10.00 N ATOM 1064 CA GLU A 69 0.277 8.357 -6.795 1.00 10.00 C ATOM 1065 C GLU A 69 0.186 9.755 -6.169 1.00 10.00 C ATOM 1066 O GLU A 69 0.092 10.751 -6.883 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.555 8.198 -8.082 1.00 10.00 C ATOM 1068 CG GLU A 69 0.281 8.228 -9.370 1.00 10.00 C ATOM 1069 CD GLU A 69 1.136 6.979 -9.617 1.00 10.00 C ATOM 1070 OE1 GLU A 69 1.768 6.502 -8.651 1.00 10.00 O ATOM 1071 OE2 GLU A 69 1.153 6.498 -10.772 1.00 10.00 O ATOM 0 H GLU A 69 -1.145 7.190 -5.835 1.00 10.00 H new ATOM 0 HA GLU A 69 1.333 8.252 -7.043 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.101 7.256 -8.036 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.298 8.995 -8.124 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -0.390 8.364 -10.218 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.936 9.098 -9.340 1.00 10.00 H new ATOM 1078 N ASN A 70 0.232 9.838 -4.835 1.00 10.00 N ATOM 1079 CA ASN A 70 0.055 11.066 -4.069 1.00 10.00 C ATOM 1080 C ASN A 70 0.102 10.722 -2.571 1.00 10.00 C ATOM 1081 O ASN A 70 -0.864 10.935 -1.836 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.273 11.756 -4.471 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.121 12.994 -5.346 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.104 13.686 -5.304 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.166 13.330 -6.100 1.00 10.00 N ATOM 0 H ASN A 70 0.399 9.023 -4.244 1.00 10.00 H new ATOM 0 HA ASN A 70 0.857 11.772 -4.284 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.895 11.032 -4.998 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.808 12.035 -3.563 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.137 14.180 -6.663 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.996 12.737 -6.115 1.00 10.00 H new ATOM 1092 N PRO A 71 1.235 10.202 -2.070 1.00 10.00 N ATOM 1093 CA PRO A 71 1.339 9.830 -0.675 1.00 10.00 C ATOM 1094 C PRO A 71 1.367 11.064 0.227 1.00 10.00 C ATOM 1095 O PRO A 71 0.850 11.000 1.337 1.00 10.00 O ATOM 1096 CB PRO A 71 2.602 8.971 -0.561 1.00 10.00 C ATOM 1097 CG PRO A 71 3.466 9.400 -1.748 1.00 10.00 C ATOM 1098 CD PRO A 71 2.457 9.886 -2.791 1.00 10.00 C ATOM 0 HA PRO A 71 0.471 9.263 -0.338 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.115 9.143 0.385 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.365 7.908 -0.607 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.162 10.191 -1.469 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.062 8.570 -2.127 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.835 10.763 -3.316 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.276 9.118 -3.543 1.00 10.00 H new ATOM 1106 N LYS A 72 1.948 12.178 -0.237 1.00 10.00 N ATOM 1107 CA LYS A 72 2.014 13.434 0.501 1.00 10.00 C ATOM 1108 C LYS A 72 0.883 14.372 0.066 1.00 10.00 C ATOM 1109 O LYS A 72 1.131 15.467 -0.436 1.00 10.00 O ATOM 1110 CB LYS A 72 3.405 14.074 0.358 1.00 10.00 C ATOM 1111 CG LYS A 72 3.865 14.390 -1.078 1.00 10.00 C ATOM 1112 CD LYS A 72 4.639 13.242 -1.744 1.00 10.00 C ATOM 1113 CE LYS A 72 5.749 13.792 -2.654 1.00 10.00 C ATOM 1114 NZ LYS A 72 5.211 14.575 -3.788 1.00 10.00 N ATOM 0 H LYS A 72 2.392 12.226 -1.154 1.00 10.00 H new ATOM 0 HA LYS A 72 1.868 13.233 1.562 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.417 15.000 0.933 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.137 13.407 0.813 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.992 14.629 -1.686 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.495 15.280 -1.061 1.00 10.00 H new ATOM 0 HD2 LYS A 72 5.074 12.598 -0.979 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.955 12.626 -2.328 1.00 10.00 H new ATOM 0 HE2 LYS A 72 6.418 14.421 -2.067 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.344 12.964 -3.038 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 5.995 14.896 -4.391 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 4.566 13.980 -4.346 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 4.693 15.401 -3.425 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.363 13.928 0.224 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.527 14.673 -0.246 1.00 10.00 C ATOM 1130 C LYS A 73 -2.724 14.361 0.647 1.00 10.00 C ATOM 1131 O LYS A 73 -3.244 15.248 1.316 1.00 10.00 O ATOM 1132 CB LYS A 73 -1.780 14.334 -1.728 1.00 10.00 C ATOM 1133 CG LYS A 73 -1.744 15.549 -2.667 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.088 16.291 -2.754 1.00 10.00 C ATOM 1135 CE LYS A 73 -3.241 16.897 -4.161 1.00 10.00 C ATOM 1136 NZ LYS A 73 -4.518 17.621 -4.337 1.00 10.00 N ATOM 0 H LYS A 73 -0.592 13.045 0.680 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.353 15.747 -0.184 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.032 13.613 -2.057 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.752 13.849 -1.817 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -0.976 16.242 -2.324 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.453 15.220 -3.665 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -3.910 15.605 -2.549 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -3.133 17.077 -2.000 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -2.413 17.580 -4.350 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -3.174 16.102 -4.903 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -4.568 18.008 -5.301 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -5.312 16.967 -4.185 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -4.574 18.399 -3.649 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.151 13.095 0.666 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.238 12.662 1.532 1.00 10.00 C ATOM 1152 C TYR A 74 -3.814 12.756 2.996 1.00 10.00 C ATOM 1153 O TYR A 74 -4.427 13.477 3.778 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.669 11.230 1.180 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.841 11.164 0.221 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -5.688 11.574 -1.117 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -7.114 10.793 0.695 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -6.802 11.607 -1.973 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -8.216 10.778 -0.175 1.00 10.00 C ATOM 1160 CZ TYR A 74 -8.067 11.218 -1.502 1.00 10.00 C ATOM 1161 OH TYR A 74 -9.156 11.327 -2.311 1.00 10.00 O ATOM 0 H TYR A 74 -2.755 12.354 0.087 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.093 13.320 1.377 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.822 10.703 0.741 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.932 10.703 2.097 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -4.715 11.863 -1.485 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -7.243 10.519 1.732 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -6.685 11.932 -2.996 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -9.176 10.429 0.175 1.00 10.00 H new ATOM 0 HH TYR A 74 -9.952 11.014 -1.832 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.794 11.983 3.376 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.315 11.972 4.751 1.00 10.00 C ATOM 1173 C ILE A 75 -1.227 13.044 4.907 1.00 10.00 C ATOM 1174 O ILE A 75 -0.493 13.319 3.956 1.00 10.00 O ATOM 1175 CB ILE A 75 -1.874 10.560 5.193 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -0.717 9.967 4.356 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -3.053 9.587 5.052 1.00 10.00 C ATOM 1178 CD1 ILE A 75 0.630 10.669 4.529 1.00 10.00 C ATOM 0 H ILE A 75 -2.287 11.359 2.748 1.00 10.00 H new ATOM 0 HA ILE A 75 -3.128 12.227 5.431 1.00 10.00 H new ATOM 0 HB ILE A 75 -1.532 10.675 6.222 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.599 8.916 4.620 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.995 10.002 3.303 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.741 8.590 5.364 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -3.879 9.922 5.680 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -3.377 9.557 4.012 1.00 10.00 H new ATOM 0 HD11 ILE A 75 1.377 10.182 3.903 1.00 10.00 H new ATOM 0 HD12 ILE A 75 0.536 11.714 4.235 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.939 10.612 5.573 1.00 10.00 H new ATOM 1190 N PRO A 76 -1.098 13.658 6.090 1.00 10.00 N ATOM 1191 CA PRO A 76 -0.022 14.583 6.387 1.00 10.00 C ATOM 1192 C PRO A 76 1.229 13.813 6.841 1.00 10.00 C ATOM 1193 O PRO A 76 1.348 13.452 8.008 1.00 10.00 O ATOM 1194 CB PRO A 76 -0.587 15.493 7.482 1.00 10.00 C ATOM 1195 CG PRO A 76 -1.591 14.609 8.226 1.00 10.00 C ATOM 1196 CD PRO A 76 -2.065 13.608 7.172 1.00 10.00 C ATOM 0 HA PRO A 76 0.297 15.167 5.524 1.00 10.00 H new ATOM 0 HB2 PRO A 76 0.199 15.850 8.148 1.00 10.00 H new ATOM 0 HB3 PRO A 76 -1.070 16.374 7.058 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -1.126 14.105 9.073 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -2.421 15.195 8.620 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.126 12.604 7.591 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -3.062 13.865 6.813 1.00 10.00 H new ATOM 1204 N GLY A 77 2.172 13.572 5.923 1.00 10.00 N ATOM 1205 CA GLY A 77 3.546 13.169 6.245 1.00 10.00 C ATOM 1206 C GLY A 77 3.665 11.941 7.156 1.00 10.00 C ATOM 1207 O GLY A 77 4.321 12.002 8.189 1.00 10.00 O ATOM 0 H GLY A 77 2.000 13.653 4.921 1.00 10.00 H new ATOM 0 HA2 GLY A 77 4.076 12.965 5.315 1.00 10.00 H new ATOM 0 HA3 GLY A 77 4.052 14.008 6.723 1.00 10.00 H new ATOM 1211 N THR A 78 3.076 10.812 6.756 1.00 10.00 N ATOM 1212 CA THR A 78 3.028 9.597 7.573 1.00 10.00 C ATOM 1213 C THR A 78 4.190 8.649 7.272 1.00 10.00 C ATOM 1214 O THR A 78 4.727 8.021 8.176 1.00 10.00 O ATOM 1215 CB THR A 78 1.667 8.919 7.365 1.00 10.00 C ATOM 1216 OG1 THR A 78 0.647 9.888 7.427 1.00 10.00 O ATOM 1217 CG2 THR A 78 1.360 7.835 8.395 1.00 10.00 C ATOM 0 H THR A 78 2.616 10.714 5.851 1.00 10.00 H new ATOM 0 HA THR A 78 3.139 9.871 8.622 1.00 10.00 H new ATOM 0 HB THR A 78 1.711 8.439 6.388 1.00 10.00 H new ATOM 0 HG1 THR A 78 0.663 10.324 8.305 1.00 10.00 H new ATOM 0 HG21 THR A 78 0.383 7.400 8.185 1.00 10.00 H new ATOM 0 HG22 THR A 78 2.122 7.057 8.343 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.356 8.272 9.393 1.00 10.00 H new ATOM 1225 N LYS A 79 4.544 8.516 5.991 1.00 10.00 N ATOM 1226 CA LYS A 79 5.598 7.619 5.518 1.00 10.00 C ATOM 1227 C LYS A 79 5.883 7.917 4.046 1.00 10.00 C ATOM 1228 O LYS A 79 5.986 7.022 3.212 1.00 10.00 O ATOM 1229 CB LYS A 79 5.255 6.134 5.762 1.00 10.00 C ATOM 1230 CG LYS A 79 4.139 5.486 4.914 1.00 10.00 C ATOM 1231 CD LYS A 79 2.725 5.876 5.362 1.00 10.00 C ATOM 1232 CE LYS A 79 1.887 6.574 4.289 1.00 10.00 C ATOM 1233 NZ LYS A 79 2.547 7.739 3.676 1.00 10.00 N ATOM 0 H LYS A 79 4.096 9.040 5.240 1.00 10.00 H new ATOM 0 HA LYS A 79 6.504 7.803 6.095 1.00 10.00 H new ATOM 0 HB2 LYS A 79 6.165 5.554 5.610 1.00 10.00 H new ATOM 0 HB3 LYS A 79 4.979 6.026 6.811 1.00 10.00 H new ATOM 0 HG2 LYS A 79 4.273 5.773 3.871 1.00 10.00 H new ATOM 0 HG3 LYS A 79 4.241 4.402 4.962 1.00 10.00 H new ATOM 0 HD2 LYS A 79 2.200 4.978 5.687 1.00 10.00 H new ATOM 0 HD3 LYS A 79 2.801 6.532 6.229 1.00 10.00 H new ATOM 0 HE2 LYS A 79 1.644 5.854 3.507 1.00 10.00 H new ATOM 0 HE3 LYS A 79 0.944 6.895 4.731 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 1.964 8.096 2.892 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 2.664 8.487 4.389 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 3.480 7.458 3.313 1.00 10.00 H new ATOM 1247 N MET A 80 5.868 9.201 3.689 1.00 10.00 N ATOM 1248 CA MET A 80 6.124 9.608 2.318 1.00 10.00 C ATOM 1249 C MET A 80 7.513 9.144 1.904 1.00 10.00 C ATOM 1250 O MET A 80 8.368 8.930 2.763 1.00 10.00 O ATOM 1251 CB MET A 80 5.983 11.128 2.194 1.00 10.00 C ATOM 1252 CG MET A 80 7.077 11.872 2.979 1.00 10.00 C ATOM 1253 SD MET A 80 8.557 12.330 2.037 1.00 10.00 S ATOM 1254 CE MET A 80 8.260 14.103 1.866 1.00 10.00 C ATOM 0 H MET A 80 5.681 9.971 4.332 1.00 10.00 H new ATOM 0 HA MET A 80 5.396 9.148 1.650 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.033 11.413 1.143 1.00 10.00 H new ATOM 0 HB3 MET A 80 5.003 11.433 2.560 1.00 10.00 H new ATOM 0 HG2 MET A 80 6.642 12.779 3.399 1.00 10.00 H new ATOM 0 HG3 MET A 80 7.383 11.247 3.818 1.00 10.00 H new ATOM 0 HE1 MET A 80 9.078 14.557 1.307 1.00 10.00 H new ATOM 0 HE2 MET A 80 7.323 14.265 1.334 1.00 10.00 H new ATOM 0 HE3 MET A 80 8.200 14.559 2.854 1.00 10.00 H new ATOM 1264 N ILE A 81 7.731 9.001 0.595 1.00 10.00 N ATOM 1265 CA ILE A 81 9.013 8.531 0.114 1.00 10.00 C ATOM 1266 C ILE A 81 9.423 9.139 -1.217 1.00 10.00 C ATOM 1267 O ILE A 81 10.535 9.639 -1.363 1.00 10.00 O ATOM 1268 CB ILE A 81 9.053 6.977 0.044 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.650 6.422 -0.296 1.00 10.00 C ATOM 1270 CG2 ILE A 81 9.604 6.306 1.311 1.00 10.00 C ATOM 1271 CD1 ILE A 81 7.588 4.933 -0.648 1.00 10.00 C ATOM 0 H ILE A 81 7.045 9.202 -0.132 1.00 10.00 H new ATOM 0 HA ILE A 81 9.746 8.871 0.845 1.00 10.00 H new ATOM 0 HB ILE A 81 9.756 6.729 -0.751 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.993 6.602 0.555 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.249 6.991 -1.135 1.00 10.00 H new ATOM 0 HG21 ILE A 81 9.599 5.224 1.181 1.00 10.00 H new ATOM 0 HG22 ILE A 81 10.625 6.645 1.488 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.980 6.572 2.164 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.558 4.654 -0.868 1.00 10.00 H new ATOM 0 HD12 ILE A 81 8.211 4.739 -1.521 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.951 4.345 0.195 1.00 10.00 H new ATOM 1283 N PHE A 82 8.532 9.078 -2.197 1.00 10.00 N ATOM 1284 CA PHE A 82 8.756 9.601 -3.524 1.00 10.00 C ATOM 1285 C PHE A 82 7.416 10.141 -4.017 1.00 10.00 C ATOM 1286 O PHE A 82 6.411 10.045 -3.311 1.00 10.00 O ATOM 1287 CB PHE A 82 9.366 8.501 -4.411 1.00 10.00 C ATOM 1288 CG PHE A 82 8.612 7.179 -4.436 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.361 7.097 -5.072 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.189 6.013 -3.895 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.665 5.878 -5.123 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.522 4.779 -4.002 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.250 4.714 -4.599 1.00 10.00 C ATOM 0 H PHE A 82 7.613 8.651 -2.081 1.00 10.00 H new ATOM 0 HA PHE A 82 9.476 10.419 -3.546 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.434 8.879 -5.431 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.385 8.311 -4.073 1.00 10.00 H new ATOM 0 HD1 PHE A 82 6.932 7.978 -5.525 1.00 10.00 H new ATOM 0 HD2 PHE A 82 10.146 6.067 -3.397 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.680 5.836 -5.565 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.987 3.880 -3.625 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.725 3.772 -4.654 1.00 10.00 H new ATOM 1303 N ALA A 83 7.414 10.740 -5.207 1.00 10.00 N ATOM 1304 CA ALA A 83 6.231 11.328 -5.819 1.00 10.00 C ATOM 1305 C ALA A 83 5.109 10.307 -6.014 1.00 10.00 C ATOM 1306 O ALA A 83 4.095 10.368 -5.327 1.00 10.00 O ATOM 1307 CB ALA A 83 6.632 11.985 -7.142 1.00 10.00 C ATOM 0 H ALA A 83 8.252 10.830 -5.781 1.00 10.00 H new ATOM 0 HA ALA A 83 5.829 12.085 -5.145 1.00 10.00 H new ATOM 0 HB1 ALA A 83 5.753 12.429 -7.609 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.373 12.761 -6.953 1.00 10.00 H new ATOM 0 HB3 ALA A 83 7.056 11.233 -7.808 1.00 10.00 H new ATOM 1313 N GLY A 84 5.282 9.399 -6.970 1.00 10.00 N ATOM 1314 CA GLY A 84 4.337 8.348 -7.297 1.00 10.00 C ATOM 1315 C GLY A 84 5.122 7.276 -8.037 1.00 10.00 C ATOM 1316 O GLY A 84 6.346 7.379 -8.116 1.00 10.00 O ATOM 0 H GLY A 84 6.116 9.378 -7.557 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.881 7.941 -6.394 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.527 8.733 -7.917 1.00 10.00 H new ATOM 1320 N ILE A 85 4.446 6.257 -8.562 1.00 10.00 N ATOM 1321 CA ILE A 85 5.097 5.142 -9.227 1.00 10.00 C ATOM 1322 C ILE A 85 5.786 5.618 -10.501 1.00 10.00 C ATOM 1323 O ILE A 85 6.996 5.836 -10.506 1.00 10.00 O ATOM 1324 CB ILE A 85 4.079 4.003 -9.435 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.829 3.287 -8.121 1.00 10.00 C ATOM 1326 CG2 ILE A 85 4.423 2.966 -10.515 1.00 10.00 C ATOM 1327 CD1 ILE A 85 5.085 2.583 -7.630 1.00 10.00 C ATOM 0 H ILE A 85 3.429 6.185 -8.536 1.00 10.00 H new ATOM 0 HA ILE A 85 5.892 4.729 -8.606 1.00 10.00 H new ATOM 0 HB ILE A 85 3.187 4.509 -9.804 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.494 4.004 -7.371 1.00 10.00 H new ATOM 0 HG13 ILE A 85 3.027 2.560 -8.247 1.00 10.00 H new ATOM 0 HG21 ILE A 85 3.632 2.218 -10.566 1.00 10.00 H new ATOM 0 HG22 ILE A 85 4.515 3.463 -11.481 1.00 10.00 H new ATOM 0 HG23 ILE A 85 5.366 2.480 -10.266 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.874 2.079 -6.687 1.00 10.00 H new ATOM 0 HD12 ILE A 85 5.404 1.849 -8.370 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.878 3.316 -7.481 1.00 10.00 H new ATOM 1339 N LYS A 86 5.036 5.716 -11.599 1.00 10.00 N ATOM 1340 CA LYS A 86 5.566 6.157 -12.882 1.00 10.00 C ATOM 1341 C LYS A 86 4.611 7.124 -13.578 1.00 10.00 C ATOM 1342 O LYS A 86 5.042 8.180 -14.034 1.00 10.00 O ATOM 1343 CB LYS A 86 5.886 4.964 -13.792 1.00 10.00 C ATOM 1344 CG LYS A 86 6.615 3.812 -13.080 1.00 10.00 C ATOM 1345 CD LYS A 86 7.623 3.130 -14.007 1.00 10.00 C ATOM 1346 CE LYS A 86 9.069 3.570 -13.700 1.00 10.00 C ATOM 1347 NZ LYS A 86 9.864 3.831 -14.916 1.00 10.00 N ATOM 0 H LYS A 86 4.042 5.490 -11.620 1.00 10.00 H new ATOM 0 HA LYS A 86 6.496 6.689 -12.682 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.957 4.585 -14.217 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.499 5.309 -14.624 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.130 4.195 -12.199 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.887 3.080 -12.730 1.00 10.00 H new ATOM 0 HD2 LYS A 86 7.541 2.048 -13.900 1.00 10.00 H new ATOM 0 HD3 LYS A 86 7.383 3.367 -15.043 1.00 10.00 H new ATOM 0 HE2 LYS A 86 9.046 4.471 -13.087 1.00 10.00 H new ATOM 0 HE3 LYS A 86 9.561 2.796 -13.110 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 10.825 4.123 -14.646 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 9.913 2.966 -15.491 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 9.415 4.589 -15.469 1.00 10.00 H new ATOM 1361 N LYS A 87 3.340 6.736 -13.726 1.00 10.00 N ATOM 1362 CA LYS A 87 2.355 7.539 -14.437 1.00 10.00 C ATOM 1363 C LYS A 87 0.933 7.152 -14.075 1.00 10.00 C ATOM 1364 O LYS A 87 0.141 7.979 -13.634 1.00 10.00 O ATOM 1365 CB LYS A 87 2.610 7.475 -15.951 1.00 10.00 C ATOM 1366 CG LYS A 87 2.668 6.080 -16.599 1.00 10.00 C ATOM 1367 CD LYS A 87 3.609 6.107 -17.809 1.00 10.00 C ATOM 1368 CE LYS A 87 5.064 5.922 -17.349 1.00 10.00 C ATOM 1369 NZ LYS A 87 6.032 6.273 -18.407 1.00 10.00 N ATOM 0 H LYS A 87 2.972 5.860 -13.356 1.00 10.00 H new ATOM 0 HA LYS A 87 2.471 8.576 -14.121 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.827 8.046 -16.449 1.00 10.00 H new ATOM 0 HB3 LYS A 87 3.553 7.982 -16.156 1.00 10.00 H new ATOM 0 HG2 LYS A 87 3.016 5.346 -15.872 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.670 5.772 -16.910 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.337 5.317 -18.509 1.00 10.00 H new ATOM 0 HD3 LYS A 87 3.505 7.053 -18.340 1.00 10.00 H new ATOM 0 HE2 LYS A 87 5.247 6.541 -16.471 1.00 10.00 H new ATOM 0 HE3 LYS A 87 5.219 4.886 -17.046 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 7.000 6.133 -18.053 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 5.876 5.665 -19.236 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 5.903 7.269 -18.679 1.00 10.00 H new ATOM 1383 N LYS A 88 0.618 5.887 -14.324 1.00 10.00 N ATOM 1384 CA LYS A 88 -0.656 5.289 -14.002 1.00 10.00 C ATOM 1385 C LYS A 88 -0.621 3.841 -14.452 1.00 10.00 C ATOM 1386 O LYS A 88 -1.051 2.983 -13.696 1.00 10.00 O ATOM 1387 CB LYS A 88 -1.837 6.060 -14.617 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.077 5.186 -14.865 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.306 6.082 -15.034 1.00 10.00 C ATOM 1390 CE LYS A 88 -5.521 5.274 -15.520 1.00 10.00 C ATOM 1391 NZ LYS A 88 -6.323 6.030 -16.502 1.00 10.00 N ATOM 0 H LYS A 88 1.266 5.237 -14.769 1.00 10.00 H new ATOM 0 HA LYS A 88 -0.818 5.335 -12.925 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -2.108 6.882 -13.955 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -1.520 6.503 -15.561 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.933 4.576 -15.757 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.225 4.501 -14.030 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.542 6.563 -14.085 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -4.085 6.876 -15.747 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -5.181 4.341 -15.969 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -6.146 5.008 -14.667 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -7.133 5.453 -16.806 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -6.668 6.909 -16.066 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -5.734 6.262 -17.327 1.00 10.00 H new ATOM 1405 N THR A 89 -0.113 3.572 -15.660 1.00 10.00 N ATOM 1406 CA THR A 89 -0.105 2.240 -16.250 1.00 10.00 C ATOM 1407 C THR A 89 0.465 1.248 -15.243 1.00 10.00 C ATOM 1408 O THR A 89 -0.212 0.312 -14.823 1.00 10.00 O ATOM 1409 CB THR A 89 0.699 2.282 -17.560 1.00 10.00 C ATOM 1410 OG1 THR A 89 0.179 3.331 -18.355 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.646 0.946 -18.310 1.00 10.00 C ATOM 0 H THR A 89 0.307 4.284 -16.257 1.00 10.00 H new ATOM 0 HA THR A 89 -1.115 1.910 -16.492 1.00 10.00 H new ATOM 0 HB THR A 89 1.750 2.461 -17.334 1.00 10.00 H new ATOM 0 HG1 THR A 89 0.677 3.380 -19.198 1.00 10.00 H new ATOM 0 HG21 THR A 89 1.227 1.021 -19.229 1.00 10.00 H new ATOM 0 HG22 THR A 89 1.062 0.159 -17.681 1.00 10.00 H new ATOM 0 HG23 THR A 89 -0.389 0.707 -18.554 1.00 10.00 H new ATOM 1419 N GLU A 90 1.690 1.527 -14.791 1.00 10.00 N ATOM 1420 CA GLU A 90 2.328 0.694 -13.793 1.00 10.00 C ATOM 1421 C GLU A 90 1.490 0.613 -12.509 1.00 10.00 C ATOM 1422 O GLU A 90 1.130 -0.474 -12.075 1.00 10.00 O ATOM 1423 CB GLU A 90 3.741 1.221 -13.509 1.00 10.00 C ATOM 1424 CG GLU A 90 4.857 0.420 -14.212 1.00 10.00 C ATOM 1425 CD GLU A 90 5.498 1.112 -15.410 1.00 10.00 C ATOM 1426 OE1 GLU A 90 4.957 2.144 -15.866 1.00 10.00 O ATOM 1427 OE2 GLU A 90 6.577 0.617 -15.806 1.00 10.00 O ATOM 0 H GLU A 90 2.250 2.320 -15.104 1.00 10.00 H new ATOM 0 HA GLU A 90 2.405 -0.321 -14.182 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.800 2.263 -13.824 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.916 1.203 -12.433 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.636 0.196 -13.483 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.445 -0.534 -14.541 1.00 10.00 H new ATOM 1434 N ARG A 91 1.204 1.748 -11.869 1.00 10.00 N ATOM 1435 CA ARG A 91 0.485 1.776 -10.595 1.00 10.00 C ATOM 1436 C ARG A 91 -0.830 0.970 -10.667 1.00 10.00 C ATOM 1437 O ARG A 91 -1.203 0.259 -9.738 1.00 10.00 O ATOM 1438 CB ARG A 91 0.215 3.240 -10.235 1.00 10.00 C ATOM 1439 CG ARG A 91 -0.384 3.409 -8.828 1.00 10.00 C ATOM 1440 CD ARG A 91 -1.469 4.483 -8.858 1.00 10.00 C ATOM 1441 NE ARG A 91 -2.547 4.122 -9.791 1.00 10.00 N ATOM 1442 CZ ARG A 91 -3.234 5.014 -10.519 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -3.198 6.312 -10.195 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -3.977 4.586 -11.548 1.00 10.00 N ATOM 0 H ARG A 91 1.463 2.671 -12.218 1.00 10.00 H new ATOM 0 HA ARG A 91 1.093 1.306 -9.822 1.00 10.00 H new ATOM 0 HB2 ARG A 91 1.147 3.802 -10.298 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -0.467 3.670 -10.969 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -0.804 2.463 -8.485 1.00 10.00 H new ATOM 0 HG3 ARG A 91 0.397 3.687 -8.120 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -1.880 4.617 -7.857 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -1.032 5.437 -9.154 1.00 10.00 H new ATOM 0 HE ARG A 91 -2.786 3.135 -9.890 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -2.648 6.623 -9.394 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -3.721 6.991 -10.749 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -4.016 3.591 -11.770 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -4.504 5.255 -12.109 1.00 10.00 H new ATOM 1458 N GLU A 92 -1.556 1.103 -11.774 1.00 10.00 N ATOM 1459 CA GLU A 92 -2.827 0.461 -12.040 1.00 10.00 C ATOM 1460 C GLU A 92 -2.649 -1.052 -12.208 1.00 10.00 C ATOM 1461 O GLU A 92 -3.319 -1.844 -11.542 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.397 1.136 -13.289 1.00 10.00 C ATOM 1463 CG GLU A 92 -4.796 0.660 -13.657 1.00 10.00 C ATOM 1464 CD GLU A 92 -5.509 1.773 -14.414 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.061 2.656 -13.723 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -5.398 1.795 -15.657 1.00 10.00 O ATOM 0 H GLU A 92 -1.251 1.695 -12.547 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.522 0.576 -11.209 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.420 2.214 -13.130 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -2.727 0.951 -14.129 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -4.740 -0.239 -14.271 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.354 0.397 -12.758 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.719 -1.463 -13.075 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.318 -2.863 -13.192 1.00 10.00 C ATOM 1475 C ASP A 93 -0.975 -3.411 -11.800 1.00 10.00 C ATOM 1476 O ASP A 93 -1.383 -4.510 -11.433 1.00 10.00 O ATOM 1477 CB ASP A 93 -0.116 -2.977 -14.141 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.478 -2.913 -15.620 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.694 -2.921 -15.928 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.479 -2.896 -16.423 1.00 10.00 O ATOM 0 H ASP A 93 -1.227 -0.836 -13.711 1.00 10.00 H new ATOM 0 HA ASP A 93 -2.137 -3.453 -13.605 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.587 -2.175 -13.916 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.399 -3.917 -13.945 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.265 -2.618 -10.992 1.00 10.00 N ATOM 1486 CA LEU A 94 0.063 -2.952 -9.614 1.00 10.00 C ATOM 1487 C LEU A 94 -1.186 -3.383 -8.844 1.00 10.00 C ATOM 1488 O LEU A 94 -1.220 -4.504 -8.333 1.00 10.00 O ATOM 1489 CB LEU A 94 0.775 -1.781 -8.925 1.00 10.00 C ATOM 1490 CG LEU A 94 1.885 -2.262 -7.995 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.619 -1.048 -7.431 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.335 -3.095 -6.853 1.00 10.00 C ATOM 0 H LEU A 94 0.101 -1.713 -11.287 1.00 10.00 H new ATOM 0 HA LEU A 94 0.750 -3.798 -9.621 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.195 -1.116 -9.680 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.050 -1.199 -8.356 1.00 10.00 H new ATOM 0 HG LEU A 94 2.567 -2.890 -8.569 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.415 -1.381 -6.765 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.049 -0.470 -8.249 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.918 -0.425 -6.876 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.155 -3.420 -6.212 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.634 -2.497 -6.271 1.00 10.00 H new ATOM 0 HD23 LEU A 94 0.821 -3.968 -7.254 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.207 -2.512 -8.770 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.495 -2.851 -8.171 1.00 10.00 C ATOM 1506 C ILE A 95 -3.963 -4.220 -8.653 1.00 10.00 C ATOM 1507 O ILE A 95 -4.414 -5.026 -7.847 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.558 -1.763 -8.457 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.602 -0.720 -7.339 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.983 -2.322 -8.610 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.470 0.295 -7.412 1.00 10.00 C ATOM 0 H ILE A 95 -2.156 -1.557 -9.125 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.362 -2.895 -7.090 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.247 -1.318 -9.402 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.555 -0.193 -7.381 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.562 -1.229 -6.376 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.675 -1.504 -8.809 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -6.009 -3.029 -9.439 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.275 -2.830 -7.691 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.563 1.004 -6.589 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.513 -0.222 -7.339 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.522 0.830 -8.360 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.886 -4.477 -9.958 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.344 -5.738 -10.524 1.00 10.00 C ATOM 1525 C ALA A 96 -3.726 -6.934 -9.820 1.00 10.00 C ATOM 1526 O ALA A 96 -4.435 -7.862 -9.435 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.995 -5.817 -11.997 1.00 10.00 C ATOM 0 H ALA A 96 -3.508 -3.823 -10.643 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.425 -5.768 -10.388 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.345 -6.766 -12.403 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.475 -4.996 -12.529 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.914 -5.746 -12.119 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.401 -6.910 -9.664 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.740 -7.937 -8.888 1.00 10.00 C ATOM 1535 C TYR A 97 -2.272 -7.890 -7.474 1.00 10.00 C ATOM 1536 O TYR A 97 -2.892 -8.851 -7.035 1.00 10.00 O ATOM 1537 CB TYR A 97 -0.226 -7.765 -8.896 1.00 10.00 C ATOM 1538 CG TYR A 97 0.504 -8.675 -7.929 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.391 -10.071 -8.063 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.342 -8.135 -6.934 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.171 -10.920 -7.262 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.166 -8.984 -6.174 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.091 -10.377 -6.351 1.00 10.00 C ATOM 1544 OH TYR A 97 2.981 -11.206 -5.737 1.00 10.00 O ATOM 0 H TYR A 97 -1.783 -6.202 -10.060 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.950 -8.908 -9.336 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.145 -7.951 -9.904 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.013 -6.729 -8.655 1.00 10.00 H new ATOM 0 HD1 TYR A 97 -0.297 -10.490 -8.783 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.352 -7.070 -6.755 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.063 -11.991 -7.347 1.00 10.00 H new ATOM 0 HE2 TYR A 97 2.856 -8.567 -5.455 1.00 10.00 H new ATOM 0 HH TYR A 97 3.553 -10.684 -5.136 1.00 10.00 H new ATOM 1554 N LEU A 98 -2.018 -6.777 -6.786 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.361 -6.551 -5.392 1.00 10.00 C ATOM 1556 C LEU A 98 -3.717 -7.163 -5.025 1.00 10.00 C ATOM 1557 O LEU A 98 -3.801 -7.908 -4.052 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.260 -5.044 -5.085 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.367 -4.734 -3.869 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.308 -3.698 -4.220 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -2.160 -4.177 -2.694 1.00 10.00 C ATOM 0 H LEU A 98 -1.547 -5.977 -7.208 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.646 -7.070 -4.754 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.865 -4.527 -5.959 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.259 -4.648 -4.905 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.912 -5.684 -3.589 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.309 -3.497 -3.344 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.319 -4.078 -5.026 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.793 -2.776 -4.541 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.485 -3.975 -1.862 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.653 -3.252 -2.994 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.910 -4.904 -2.384 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.759 -6.889 -5.816 1.00 10.00 N ATOM 1574 CA LYS A 99 -6.091 -7.467 -5.686 1.00 10.00 C ATOM 1575 C LYS A 99 -6.042 -8.972 -5.430 1.00 10.00 C ATOM 1576 O LYS A 99 -6.600 -9.443 -4.442 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.922 -7.162 -6.937 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.450 -5.724 -6.941 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.188 -5.459 -8.264 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.496 -4.702 -8.007 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.366 -4.627 -9.198 1.00 10.00 N ATOM 0 H LYS A 99 -4.690 -6.232 -6.593 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.566 -7.009 -4.818 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.313 -7.327 -7.826 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.761 -7.856 -6.993 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -8.123 -5.569 -6.098 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.625 -5.021 -6.824 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -7.551 -4.880 -8.933 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -8.400 -6.404 -8.765 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -10.039 -5.191 -7.198 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -9.264 -3.692 -7.670 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -10.651 -3.640 -9.358 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -9.848 -4.977 -10.029 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -11.213 -5.211 -9.047 1.00 10.00 H new ATOM 1595 N LYS A 100 -5.388 -9.734 -6.309 1.00 10.00 N ATOM 1596 CA LYS A 100 -5.233 -11.153 -6.107 1.00 10.00 C ATOM 1597 C LYS A 100 -4.221 -11.387 -4.981 1.00 10.00 C ATOM 1598 O LYS A 100 -4.513 -12.133 -4.057 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.835 -11.816 -7.435 1.00 10.00 C ATOM 1600 CG LYS A 100 -4.515 -13.297 -7.201 1.00 10.00 C ATOM 1601 CD LYS A 100 -5.354 -14.288 -8.015 1.00 10.00 C ATOM 1602 CE LYS A 100 -4.898 -14.418 -9.476 1.00 10.00 C ATOM 1603 NZ LYS A 100 -5.060 -15.804 -9.965 1.00 10.00 N ATOM 0 H LYS A 100 -4.961 -9.380 -7.165 1.00 10.00 H new ATOM 0 HA LYS A 100 -6.170 -11.615 -5.796 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -5.645 -11.719 -8.157 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.968 -11.310 -7.859 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -3.463 -13.464 -7.430 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.650 -13.517 -6.142 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -5.308 -15.268 -7.539 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -6.397 -13.972 -7.994 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -5.476 -13.739 -10.102 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -3.853 -14.119 -9.562 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -4.744 -15.862 -10.954 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -4.489 -16.447 -9.381 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -6.061 -16.079 -9.904 1.00 10.00 H new ATOM 1617 N ALA A 101 -3.033 -10.789 -5.080 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.885 -11.034 -4.213 1.00 10.00 C ATOM 1619 C ALA A 101 -2.290 -11.063 -2.740 1.00 10.00 C ATOM 1620 O ALA A 101 -2.012 -12.013 -2.019 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.825 -9.954 -4.453 1.00 10.00 C ATOM 0 H ALA A 101 -2.839 -10.091 -5.798 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.472 -12.013 -4.458 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.033 -10.136 -3.806 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.506 -9.982 -5.495 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -1.247 -8.974 -4.229 1.00 10.00 H new ATOM 1627 N THR A 102 -2.969 -10.001 -2.316 1.00 10.00 N ATOM 1628 CA THR A 102 -3.441 -9.819 -0.956 1.00 10.00 C ATOM 1629 C THR A 102 -4.317 -10.984 -0.509 1.00 10.00 C ATOM 1630 O THR A 102 -4.074 -11.583 0.536 1.00 10.00 O ATOM 1631 CB THR A 102 -4.247 -8.526 -0.910 1.00 10.00 C ATOM 1632 OG1 THR A 102 -5.274 -8.549 -1.881 1.00 10.00 O ATOM 1633 CG2 THR A 102 -3.335 -7.326 -1.138 1.00 10.00 C ATOM 0 H THR A 102 -3.211 -9.224 -2.931 1.00 10.00 H new ATOM 0 HA THR A 102 -2.586 -9.774 -0.281 1.00 10.00 H new ATOM 0 HB THR A 102 -4.703 -8.438 0.076 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.902 -8.314 -2.756 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.924 -6.409 -1.103 1.00 10.00 H new ATOM 0 HG22 THR A 102 -2.571 -7.297 -0.361 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.857 -7.413 -2.114 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.361 -11.239 -1.303 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.320 -12.316 -1.120 1.00 10.00 C ATOM 1643 C ASN A 103 -5.572 -13.637 -0.949 1.00 10.00 C ATOM 1644 O ASN A 103 -5.793 -14.358 0.022 1.00 10.00 O ATOM 1645 CB ASN A 103 -7.271 -12.347 -2.328 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.591 -13.039 -2.003 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.629 -14.186 -1.581 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.707 -12.340 -2.196 1.00 10.00 N ATOM 0 H ASN A 103 -5.564 -10.671 -2.126 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.916 -12.154 -0.222 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.469 -11.328 -2.659 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.786 -12.863 -3.157 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.614 -12.760 -1.991 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.656 -11.384 -2.549 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.641 -13.870 -1.875 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.785 -15.037 -1.971 1.00 10.00 C ATOM 1657 C GLU A 104 -4.648 -16.288 -2.199 1.00 10.00 C ATOM 1658 O GLU A 104 -5.713 -16.127 -2.841 1.00 10.00 O ATOM 1659 CB GLU A 104 -2.819 -15.066 -0.768 1.00 10.00 C ATOM 1660 CG GLU A 104 -1.407 -15.607 -1.075 1.00 10.00 C ATOM 1661 CD GLU A 104 -1.118 -16.962 -0.439 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -1.247 -17.036 0.804 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -0.664 -17.860 -1.183 1.00 10.00 O ATOM 1664 OXT GLU A 104 -4.226 -17.388 -1.787 1.00 10.00 O ATOM 0 H GLU A 104 -4.459 -13.201 -2.623 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.129 -15.002 -2.841 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -2.726 -14.055 -0.373 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.262 -15.676 0.019 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -1.286 -15.689 -2.155 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -0.668 -14.886 -0.726 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.772 5.101 0.167 1.00 10.00 N HETATM 1673 C2 IMD A 105 4.118 3.806 0.177 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.418 3.116 1.093 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.568 4.045 1.685 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.775 5.267 1.097 1.00 10.00 C HETATM 0 HN1 IMD A 105 4.175 5.829 -0.423 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.248 6.194 1.325 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.856 3.836 2.483 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.873 3.368 -0.476 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.540 1.192 1.469 1.00 10.00 FE HETATM 1682 CHA HEC A 110 1.221 1.664 3.976 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.030 0.295 -0.677 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.781 1.098 -1.083 1.00 10.00 C HETATM 1685 CHD HEC A 110 6.042 1.520 3.711 1.00 10.00 C HETATM 1686 NA HEC A 110 1.535 1.016 1.621 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.795 1.266 2.738 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.600 1.104 2.410 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.657 0.724 1.090 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.705 0.638 0.615 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.893 0.618 0.225 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.774 1.348 3.338 1.00 10.00 C HETATM 1693 CBA HEC A 110 -1.861 0.444 4.579 1.00 10.00 C HETATM 1694 CGA HEC A 110 -1.009 -0.826 4.484 1.00 10.00 C HETATM 1695 O1A HEC A 110 0.032 -0.860 5.176 1.00 10.00 O HETATM 1696 O2A HEC A 110 -1.375 -1.701 3.676 1.00 10.00 O HETATM 1697 NB HEC A 110 3.427 0.784 -0.498 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.318 0.374 -1.159 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.706 0.003 -2.505 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.048 0.298 -2.638 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.477 0.796 -1.355 1.00 10.00 C HETATM 1702 CMB HEC A 110 1.822 -0.696 -3.518 1.00 10.00 C HETATM 1703 CAB HEC A 110 4.959 0.062 -3.842 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.352 0.560 -5.156 1.00 10.00 C HETATM 1705 NC HEC A 110 5.534 1.355 1.323 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.249 1.270 0.186 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.655 1.319 0.496 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.746 1.336 1.873 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.383 1.424 2.378 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.773 1.196 -0.525 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.986 1.127 2.733 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.251 1.962 2.497 1.00 10.00 C HETATM 1713 ND HEC A 110 3.609 1.559 3.462 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.757 1.608 4.173 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.416 1.784 5.566 1.00 10.00 C HETATM 1716 C3D HEC A 110 3.053 1.924 5.639 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.547 1.701 4.303 1.00 10.00 C HETATM 1718 CMD HEC A 110 5.370 1.887 6.731 1.00 10.00 C HETATM 1719 CAD HEC A 110 2.266 2.215 6.905 1.00 10.00 C HETATM 1720 CBD HEC A 110 2.710 3.481 7.662 1.00 10.00 C HETATM 1721 CGD HEC A 110 3.080 3.194 9.113 1.00 10.00 C HETATM 1722 O1D HEC A 110 4.295 3.126 9.393 1.00 10.00 O HETATM 1723 O2D HEC A 110 2.126 3.036 9.905 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.966 0.977 6.795 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 6.029 2.743 6.587 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.805 2.016 7.654 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.699 0.234 -1.032 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.687 1.999 -1.257 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.736 1.267 -0.020 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.507 -1.661 -3.121 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 0.944 -0.083 -3.719 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.378 -0.848 -4.443 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.582 -0.105 0.662 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.379 1.592 0.165 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.610 0.291 -0.776 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 3.566 3.923 7.153 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 1.907 4.218 7.634 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.612 1.797 1.482 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 10.020 3.019 2.632 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 11.021 1.665 3.209 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.413 0.039 -5.344 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.165 1.632 -5.087 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.045 0.365 -5.974 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -1.549 1.014 5.454 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -2.901 0.161 4.737 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 1.212 2.314 6.647 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.351 1.359 7.574 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -1.736 2.385 3.672 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.694 1.231 2.764 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.849 1.526 4.444 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.477 1.206 -1.915 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.240 -0.052 -1.343 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.483 1.959 4.721 1.00 10.00 H new HETATM 0 H2D HEC A 110 1.578 2.279 9.610 1.00 10.00 H new