USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=24 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 Set 1.1: A 52 ASN : amide:sc= 0.155 K(o=-0.039,f=-5.9!) USER MOD Set 1.2: A 110 HEC O2D : rot -69:sc= -0.194 USER MOD Set 2.1: A 70 ASN : amide:sc=-0.000846 K(o=0.1,f=-0.77) USER MOD Set 2.2: A 73 LYS NZ :NH3+ 145:sc= 0.102 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.104 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.00577 X(o=-0.0058,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 19 THR OG1 : rot 177:sc= 0.906 USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= -0.0323 (180deg=-0.302) 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= 0.604 K(o=0.6,f=-3.1!) USER MOD Single : A 33 HIS : no HE2:sc= -0.998 X(o=-1,f=-0.65) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 100:sc= 1.31 USER MOD Single : A 42 GLN : amide:sc= 0.762 K(o=0.76,f=-0.12) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= 0.041 (180deg=-0.628) USER MOD Single : A 58 THR OG1 : rot 42:sc= 0.0445 USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= -0.146 (180deg=-0.182) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 130:sc= -0.107 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 79 LYS NZ :NH3+ -142:sc= 0.947 (180deg=-0.764) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0395) 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= 0.0117 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -84:sc= 1.08 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 110 HEC O2A : rot 110:sc= 0.172 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.586 -3.748 -15.230 1.00 10.00 N ATOM 2 CA GLY A 1 -4.218 -3.817 -14.750 1.00 10.00 C ATOM 3 C GLY A 1 -3.750 -5.245 -15.000 1.00 10.00 C ATOM 4 O GLY A 1 -4.528 -6.171 -14.777 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.156 -3.177 -14.574 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.601 -3.310 -16.173 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.983 -4.708 -15.288 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.585 -3.102 -15.276 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -4.165 -3.570 -13.690 1.00 10.00 H new ATOM 10 N ASP A 2 -2.552 -5.415 -15.537 1.00 10.00 N ATOM 11 CA ASP A 2 -1.898 -6.712 -15.662 1.00 10.00 C ATOM 12 C ASP A 2 -1.487 -7.254 -14.291 1.00 10.00 C ATOM 13 O ASP A 2 -0.785 -6.586 -13.535 1.00 10.00 O ATOM 14 CB ASP A 2 -0.639 -6.623 -16.524 1.00 10.00 C ATOM 15 CG ASP A 2 -0.017 -7.998 -16.734 1.00 10.00 C ATOM 16 OD1 ASP A 2 -0.672 -9.010 -16.395 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.165 -8.020 -17.132 1.00 10.00 O ATOM 0 H ASP A 2 -1.996 -4.643 -15.905 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.621 -7.379 -16.131 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.886 -6.182 -17.489 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.085 -5.962 -16.048 1.00 10.00 H new ATOM 22 N VAL A 3 -1.861 -8.498 -14.002 1.00 10.00 N ATOM 23 CA VAL A 3 -1.401 -9.216 -12.827 1.00 10.00 C ATOM 24 C VAL A 3 0.087 -9.556 -12.950 1.00 10.00 C ATOM 25 O VAL A 3 0.819 -9.445 -11.966 1.00 10.00 O ATOM 26 CB VAL A 3 -2.274 -10.468 -12.617 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.747 -11.362 -11.486 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.718 -10.061 -12.297 1.00 10.00 C ATOM 0 H VAL A 3 -2.499 -9.038 -14.587 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.504 -8.584 -11.945 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.238 -11.037 -13.546 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.396 -12.231 -11.377 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.736 -11.692 -11.724 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.735 -10.799 -10.553 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.324 -10.955 -12.151 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.734 -9.460 -11.388 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.124 -9.479 -13.124 1.00 10.00 H new ATOM 38 N GLU A 4 0.547 -9.980 -14.131 1.00 10.00 N ATOM 39 CA GLU A 4 1.941 -10.366 -14.299 1.00 10.00 C ATOM 40 C GLU A 4 2.830 -9.154 -14.068 1.00 10.00 C ATOM 41 O GLU A 4 3.643 -9.136 -13.142 1.00 10.00 O ATOM 42 CB GLU A 4 2.182 -10.960 -15.690 1.00 10.00 C ATOM 43 CG GLU A 4 2.014 -12.483 -15.719 1.00 10.00 C ATOM 44 CD GLU A 4 3.336 -13.192 -15.990 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.209 -13.121 -15.095 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.454 -13.778 -17.087 1.00 10.00 O ATOM 0 H GLU A 4 -0.023 -10.062 -14.973 1.00 10.00 H new ATOM 0 HA GLU A 4 2.187 -11.136 -13.567 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.488 -10.508 -16.399 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.188 -10.703 -16.021 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.608 -12.822 -14.766 1.00 10.00 H new ATOM 0 HG3 GLU A 4 1.291 -12.755 -16.488 1.00 10.00 H new ATOM 53 N LYS A 5 2.666 -8.118 -14.890 1.00 10.00 N ATOM 54 CA LYS A 5 3.421 -6.904 -14.707 1.00 10.00 C ATOM 55 C LYS A 5 3.182 -6.365 -13.310 1.00 10.00 C ATOM 56 O LYS A 5 4.151 -6.020 -12.654 1.00 10.00 O ATOM 57 CB LYS A 5 3.194 -5.869 -15.809 1.00 10.00 C ATOM 58 CG LYS A 5 4.065 -6.151 -17.046 1.00 10.00 C ATOM 59 CD LYS A 5 4.760 -4.881 -17.575 1.00 10.00 C ATOM 60 CE LYS A 5 6.232 -5.170 -17.903 1.00 10.00 C ATOM 61 NZ LYS A 5 6.913 -3.996 -18.488 1.00 10.00 N ATOM 0 H LYS A 5 2.020 -8.105 -15.679 1.00 10.00 H new ATOM 0 HA LYS A 5 4.480 -7.147 -14.801 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.143 -5.869 -16.097 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.419 -4.874 -15.425 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.819 -6.897 -16.794 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.445 -6.578 -17.834 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.246 -4.523 -18.467 1.00 10.00 H new ATOM 0 HD3 LYS A 5 4.696 -4.088 -16.830 1.00 10.00 H new ATOM 0 HE2 LYS A 5 6.752 -5.475 -16.995 1.00 10.00 H new ATOM 0 HE3 LYS A 5 6.290 -6.006 -18.600 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.904 -4.236 -18.694 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.434 -3.720 -19.369 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 6.881 -3.205 -17.814 1.00 10.00 H new ATOM 75 N GLY A 6 1.949 -6.362 -12.806 1.00 10.00 N ATOM 76 CA GLY A 6 1.704 -5.965 -11.433 1.00 10.00 C ATOM 77 C GLY A 6 2.616 -6.675 -10.423 1.00 10.00 C ATOM 78 O GLY A 6 3.146 -6.037 -9.510 1.00 10.00 O ATOM 0 H GLY A 6 1.114 -6.629 -13.328 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.844 -4.888 -11.343 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.664 -6.174 -11.182 1.00 10.00 H new ATOM 82 N LYS A 7 2.812 -7.992 -10.581 1.00 10.00 N ATOM 83 CA LYS A 7 3.623 -8.798 -9.693 1.00 10.00 C ATOM 84 C LYS A 7 5.040 -8.255 -9.727 1.00 10.00 C ATOM 85 O LYS A 7 5.637 -7.964 -8.690 1.00 10.00 O ATOM 86 CB LYS A 7 3.548 -10.271 -10.137 1.00 10.00 C ATOM 87 CG LYS A 7 4.291 -11.232 -9.203 1.00 10.00 C ATOM 88 CD LYS A 7 4.167 -12.671 -9.733 1.00 10.00 C ATOM 89 CE LYS A 7 4.109 -13.675 -8.572 1.00 10.00 C ATOM 90 NZ LYS A 7 4.072 -15.078 -9.039 1.00 10.00 N ATOM 0 H LYS A 7 2.399 -8.525 -11.347 1.00 10.00 H new ATOM 0 HA LYS A 7 3.262 -8.751 -8.666 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.502 -10.571 -10.196 1.00 10.00 H new ATOM 0 HB3 LYS A 7 3.962 -10.361 -11.141 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.341 -10.949 -9.135 1.00 10.00 H new ATOM 0 HG3 LYS A 7 3.878 -11.168 -8.196 1.00 10.00 H new ATOM 0 HD2 LYS A 7 3.269 -12.762 -10.344 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.016 -12.901 -10.377 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.977 -13.532 -7.929 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.226 -13.474 -7.965 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.033 -15.716 -8.219 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.230 -15.225 -9.632 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 4.927 -15.281 -9.596 1.00 10.00 H new ATOM 104 N LYS A 8 5.584 -8.121 -10.936 1.00 10.00 N ATOM 105 CA LYS A 8 6.955 -7.676 -11.067 1.00 10.00 C ATOM 106 C LYS A 8 7.097 -6.233 -10.580 1.00 10.00 C ATOM 107 O LYS A 8 8.037 -5.923 -9.860 1.00 10.00 O ATOM 108 CB LYS A 8 7.499 -7.872 -12.487 1.00 10.00 C ATOM 109 CG LYS A 8 7.069 -9.189 -13.150 1.00 10.00 C ATOM 110 CD LYS A 8 7.250 -10.458 -12.302 1.00 10.00 C ATOM 111 CE LYS A 8 8.730 -10.856 -12.183 1.00 10.00 C ATOM 112 NZ LYS A 8 8.901 -12.255 -11.736 1.00 10.00 N ATOM 0 H LYS A 8 5.103 -8.311 -11.815 1.00 10.00 H new ATOM 0 HA LYS A 8 7.573 -8.305 -10.427 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.168 -7.040 -13.109 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.588 -7.833 -12.455 1.00 10.00 H new ATOM 0 HG2 LYS A 8 6.018 -9.107 -13.427 1.00 10.00 H new ATOM 0 HG3 LYS A 8 7.634 -9.309 -14.074 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.836 -10.293 -11.307 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.688 -11.278 -12.749 1.00 10.00 H new ATOM 0 HE2 LYS A 8 9.218 -10.723 -13.148 1.00 10.00 H new ATOM 0 HE3 LYS A 8 9.228 -10.189 -11.479 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 9.915 -12.477 -11.671 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 8.459 -12.378 -10.803 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 8.450 -12.896 -12.420 1.00 10.00 H new ATOM 126 N ILE A 9 6.158 -5.356 -10.934 1.00 10.00 N ATOM 127 CA ILE A 9 6.134 -3.969 -10.520 1.00 10.00 C ATOM 128 C ILE A 9 6.223 -3.922 -9.001 1.00 10.00 C ATOM 129 O ILE A 9 7.137 -3.300 -8.477 1.00 10.00 O ATOM 130 CB ILE A 9 4.886 -3.263 -11.083 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.018 -3.061 -12.605 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.676 -1.889 -10.442 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.696 -2.610 -13.231 1.00 10.00 C ATOM 0 H ILE A 9 5.373 -5.607 -11.535 1.00 10.00 H new ATOM 0 HA ILE A 9 6.988 -3.424 -10.922 1.00 10.00 H new ATOM 0 HB ILE A 9 4.034 -3.904 -10.855 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.789 -2.318 -12.808 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.342 -3.992 -13.069 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.786 -1.422 -10.865 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.548 -2.005 -9.366 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.544 -1.259 -10.638 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.828 -2.478 -14.305 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.931 -3.365 -13.050 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.386 -1.665 -12.785 1.00 10.00 H new ATOM 145 N PHE A 10 5.330 -4.603 -8.284 1.00 10.00 N ATOM 146 CA PHE A 10 5.403 -4.674 -6.829 1.00 10.00 C ATOM 147 C PHE A 10 6.837 -4.969 -6.343 1.00 10.00 C ATOM 148 O PHE A 10 7.357 -4.292 -5.451 1.00 10.00 O ATOM 149 CB PHE A 10 4.395 -5.718 -6.345 1.00 10.00 C ATOM 150 CG PHE A 10 4.412 -5.921 -4.850 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.898 -4.922 -4.005 1.00 10.00 C ATOM 152 CD2 PHE A 10 4.986 -7.083 -4.303 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.939 -5.095 -2.614 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.018 -7.261 -2.912 1.00 10.00 C ATOM 155 CZ PHE A 10 4.488 -6.269 -2.073 1.00 10.00 C ATOM 0 H PHE A 10 4.546 -5.114 -8.690 1.00 10.00 H new ATOM 0 HA PHE A 10 5.144 -3.706 -6.400 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.394 -5.415 -6.651 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.604 -6.669 -6.835 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.472 -4.023 -4.426 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.402 -7.838 -4.954 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.550 -4.328 -1.961 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.448 -8.157 -2.489 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.502 -6.409 -1.002 1.00 10.00 H new ATOM 165 N VAL A 11 7.496 -5.940 -6.984 1.00 10.00 N ATOM 166 CA VAL A 11 8.859 -6.365 -6.670 1.00 10.00 C ATOM 167 C VAL A 11 9.926 -5.365 -7.159 1.00 10.00 C ATOM 168 O VAL A 11 11.054 -5.363 -6.673 1.00 10.00 O ATOM 169 CB VAL A 11 9.093 -7.775 -7.243 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.507 -8.302 -6.965 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.068 -8.767 -6.674 1.00 10.00 C ATOM 0 H VAL A 11 7.083 -6.464 -7.755 1.00 10.00 H new ATOM 0 HA VAL A 11 8.965 -6.393 -5.586 1.00 10.00 H new ATOM 0 HB VAL A 11 8.974 -7.689 -8.323 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.614 -9.299 -7.392 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.240 -7.633 -7.417 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.673 -8.348 -5.889 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.250 -9.758 -7.091 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.164 -8.807 -5.589 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.062 -8.442 -6.938 1.00 10.00 H new ATOM 181 N GLN A 12 9.603 -4.531 -8.143 1.00 10.00 N ATOM 182 CA GLN A 12 10.507 -3.544 -8.725 1.00 10.00 C ATOM 183 C GLN A 12 10.279 -2.152 -8.127 1.00 10.00 C ATOM 184 O GLN A 12 11.068 -1.238 -8.364 1.00 10.00 O ATOM 185 CB GLN A 12 10.302 -3.538 -10.241 1.00 10.00 C ATOM 186 CG GLN A 12 10.726 -4.878 -10.864 1.00 10.00 C ATOM 187 CD GLN A 12 12.224 -4.950 -11.126 1.00 10.00 C ATOM 188 OE1 GLN A 12 12.681 -4.640 -12.220 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.002 -5.371 -10.133 1.00 10.00 N ATOM 0 H GLN A 12 8.677 -4.523 -8.570 1.00 10.00 H new ATOM 0 HA GLN A 12 11.538 -3.814 -8.494 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.254 -3.344 -10.468 1.00 10.00 H new ATOM 0 HB3 GLN A 12 10.880 -2.728 -10.686 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.437 -5.692 -10.199 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.189 -5.026 -11.801 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.591 -5.622 -9.234 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.010 -5.443 -10.270 1.00 10.00 H new ATOM 198 N LYS A 13 9.181 -1.972 -7.390 1.00 10.00 N ATOM 199 CA LYS A 13 8.778 -0.707 -6.810 1.00 10.00 C ATOM 200 C LYS A 13 8.880 -0.725 -5.286 1.00 10.00 C ATOM 201 O LYS A 13 9.393 0.237 -4.718 1.00 10.00 O ATOM 202 CB LYS A 13 7.350 -0.368 -7.249 1.00 10.00 C ATOM 203 CG LYS A 13 7.192 -0.139 -8.762 1.00 10.00 C ATOM 204 CD LYS A 13 8.218 0.802 -9.410 1.00 10.00 C ATOM 205 CE LYS A 13 8.403 2.159 -8.707 1.00 10.00 C ATOM 206 NZ LYS A 13 9.808 2.611 -8.770 1.00 10.00 N ATOM 0 H LYS A 13 8.534 -2.731 -7.179 1.00 10.00 H new ATOM 0 HA LYS A 13 9.460 0.063 -7.171 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.687 -1.177 -6.944 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.023 0.528 -6.721 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.247 -1.105 -9.264 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.195 0.260 -8.947 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.182 0.294 -9.443 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.918 0.984 -10.442 1.00 10.00 H new ATOM 0 HE2 LYS A 13 7.758 2.903 -9.174 1.00 10.00 H new ATOM 0 HE3 LYS A 13 8.092 2.076 -7.666 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 9.900 3.528 -8.288 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.419 1.911 -8.303 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 10.096 2.713 -9.764 1.00 10.00 H new ATOM 220 N CYS A 14 8.355 -1.768 -4.633 1.00 10.00 N ATOM 221 CA CYS A 14 8.199 -1.798 -3.183 1.00 10.00 C ATOM 222 C CYS A 14 9.115 -2.887 -2.604 1.00 10.00 C ATOM 223 O CYS A 14 10.128 -2.572 -1.985 1.00 10.00 O ATOM 224 CB CYS A 14 6.733 -1.947 -2.795 1.00 10.00 C ATOM 225 SG CYS A 14 5.548 -1.442 -4.103 1.00 10.00 S ATOM 0 H CYS A 14 8.027 -2.614 -5.100 1.00 10.00 H new ATOM 0 HA CYS A 14 8.511 -0.850 -2.746 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.543 -2.988 -2.532 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.544 -1.353 -1.901 1.00 10.00 H new ATOM 230 N ALA A 15 8.780 -4.160 -2.843 1.00 10.00 N ATOM 231 CA ALA A 15 9.523 -5.368 -2.474 1.00 10.00 C ATOM 232 C ALA A 15 10.192 -5.372 -1.096 1.00 10.00 C ATOM 233 O ALA A 15 9.673 -5.963 -0.153 1.00 10.00 O ATOM 234 CB ALA A 15 10.523 -5.725 -3.579 1.00 10.00 C ATOM 0 H ALA A 15 7.917 -4.389 -3.337 1.00 10.00 H new ATOM 0 HA ALA A 15 8.760 -6.140 -2.378 1.00 10.00 H new ATOM 0 HB1 ALA A 15 11.071 -6.624 -3.297 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.987 -5.904 -4.511 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.223 -4.901 -3.716 1.00 10.00 H new ATOM 240 N GLN A 16 11.349 -4.725 -0.937 1.00 10.00 N ATOM 241 CA GLN A 16 11.994 -4.582 0.355 1.00 10.00 C ATOM 242 C GLN A 16 11.295 -3.461 1.126 1.00 10.00 C ATOM 243 O GLN A 16 11.926 -2.538 1.631 1.00 10.00 O ATOM 244 CB GLN A 16 13.500 -4.348 0.179 1.00 10.00 C ATOM 245 CG GLN A 16 14.275 -5.661 -0.002 1.00 10.00 C ATOM 246 CD GLN A 16 15.780 -5.459 0.175 1.00 10.00 C ATOM 247 OE1 GLN A 16 16.280 -4.341 0.129 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.519 -6.538 0.417 1.00 10.00 N ATOM 0 H GLN A 16 11.859 -4.288 -1.705 1.00 10.00 H new ATOM 0 HA GLN A 16 11.901 -5.498 0.938 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.667 -3.707 -0.687 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.887 -3.817 1.048 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.919 -6.396 0.720 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.077 -6.067 -0.994 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.081 -7.459 0.451 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.523 -6.445 0.569 1.00 10.00 H new ATOM 257 N CYS A 17 9.977 -3.595 1.263 1.00 10.00 N ATOM 258 CA CYS A 17 9.205 -2.858 2.235 1.00 10.00 C ATOM 259 C CYS A 17 7.887 -3.566 2.478 1.00 10.00 C ATOM 260 O CYS A 17 7.509 -3.666 3.632 1.00 10.00 O ATOM 261 CB CYS A 17 9.011 -1.400 1.883 1.00 10.00 C ATOM 262 SG CYS A 17 9.429 -0.429 3.371 1.00 10.00 S ATOM 0 H CYS A 17 9.418 -4.228 0.691 1.00 10.00 H new ATOM 0 HA CYS A 17 9.780 -2.841 3.161 1.00 10.00 H new ATOM 0 HB2 CYS A 17 9.650 -1.117 1.046 1.00 10.00 H new ATOM 0 HB3 CYS A 17 7.982 -1.211 1.576 1.00 10.00 H new ATOM 267 N HIS A 18 7.201 -4.064 1.440 1.00 10.00 N ATOM 268 CA HIS A 18 5.963 -4.804 1.608 1.00 10.00 C ATOM 269 C HIS A 18 6.104 -6.185 1.017 1.00 10.00 C ATOM 270 O HIS A 18 6.882 -6.395 0.091 1.00 10.00 O ATOM 271 CB HIS A 18 4.834 -4.117 0.859 1.00 10.00 C ATOM 272 CG HIS A 18 4.317 -2.913 1.570 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.434 -2.894 2.625 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.475 -1.641 1.121 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.037 -1.618 2.771 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.653 -0.817 1.881 1.00 10.00 N ATOM 0 H HIS A 18 7.495 -3.961 0.469 1.00 10.00 H new ATOM 0 HA HIS A 18 5.747 -4.854 2.675 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.185 -3.826 -0.131 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.018 -4.825 0.712 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.138 -3.692 3.187 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.124 -1.326 0.317 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.320 -1.280 3.504 1.00 10.00 H new ATOM 284 N THR A 19 5.252 -7.082 1.502 1.00 10.00 N ATOM 285 CA THR A 19 5.264 -8.475 1.116 1.00 10.00 C ATOM 286 C THR A 19 3.927 -8.903 0.508 1.00 10.00 C ATOM 287 O THR A 19 3.902 -9.607 -0.493 1.00 10.00 O ATOM 288 CB THR A 19 5.641 -9.283 2.358 1.00 10.00 C ATOM 289 OG1 THR A 19 6.772 -8.716 2.998 1.00 10.00 O ATOM 290 CG2 THR A 19 5.923 -10.717 1.950 1.00 10.00 C ATOM 0 H THR A 19 4.528 -6.852 2.182 1.00 10.00 H new ATOM 0 HA THR A 19 5.997 -8.654 0.330 1.00 10.00 H new ATOM 0 HB THR A 19 4.813 -9.264 3.066 1.00 10.00 H new ATOM 0 HG1 THR A 19 6.971 -9.218 3.816 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.193 -11.300 2.831 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.033 -11.146 1.490 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.746 -10.737 1.236 1.00 10.00 H new ATOM 298 N VAL A 20 2.826 -8.466 1.122 1.00 10.00 N ATOM 299 CA VAL A 20 1.450 -8.775 0.754 1.00 10.00 C ATOM 300 C VAL A 20 1.128 -10.266 0.799 1.00 10.00 C ATOM 301 O VAL A 20 0.139 -10.680 0.210 1.00 10.00 O ATOM 302 CB VAL A 20 0.974 -8.069 -0.535 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.208 -6.557 -0.469 1.00 10.00 C ATOM 304 CG2 VAL A 20 1.503 -8.610 -1.869 1.00 10.00 C ATOM 0 H VAL A 20 2.878 -7.852 1.935 1.00 10.00 H new ATOM 0 HA VAL A 20 0.842 -8.334 1.544 1.00 10.00 H new ATOM 0 HB VAL A 20 -0.090 -8.304 -0.545 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.861 -6.094 -1.393 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.658 -6.140 0.374 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.272 -6.359 -0.341 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.090 -8.023 -2.689 1.00 10.00 H new ATOM 0 HG22 VAL A 20 2.591 -8.540 -1.885 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.205 -9.652 -1.983 1.00 10.00 H new ATOM 314 N GLU A 21 1.892 -11.056 1.557 1.00 10.00 N ATOM 315 CA GLU A 21 1.610 -12.467 1.745 1.00 10.00 C ATOM 316 C GLU A 21 1.913 -12.886 3.181 1.00 10.00 C ATOM 317 O GLU A 21 2.485 -12.120 3.965 1.00 10.00 O ATOM 318 CB GLU A 21 2.321 -13.320 0.680 1.00 10.00 C ATOM 319 CG GLU A 21 3.837 -13.095 0.668 1.00 10.00 C ATOM 320 CD GLU A 21 4.546 -13.955 -0.370 1.00 10.00 C ATOM 321 OE1 GLU A 21 4.562 -15.187 -0.169 1.00 10.00 O ATOM 322 OE2 GLU A 21 5.091 -13.361 -1.326 1.00 10.00 O ATOM 0 H GLU A 21 2.721 -10.729 2.054 1.00 10.00 H new ATOM 0 HA GLU A 21 0.545 -12.646 1.597 1.00 10.00 H new ATOM 0 HB2 GLU A 21 2.114 -14.374 0.865 1.00 10.00 H new ATOM 0 HB3 GLU A 21 1.913 -13.083 -0.303 1.00 10.00 H new ATOM 0 HG2 GLU A 21 4.043 -12.044 0.467 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.242 -13.316 1.656 1.00 10.00 H new ATOM 329 N LYS A 22 1.477 -14.093 3.544 1.00 10.00 N ATOM 330 CA LYS A 22 1.743 -14.674 4.848 1.00 10.00 C ATOM 331 C LYS A 22 3.238 -15.000 4.962 1.00 10.00 C ATOM 332 O LYS A 22 3.918 -15.187 3.959 1.00 10.00 O ATOM 333 CB LYS A 22 0.874 -15.929 5.043 1.00 10.00 C ATOM 334 CG LYS A 22 -0.135 -15.787 6.188 1.00 10.00 C ATOM 335 CD LYS A 22 0.497 -15.967 7.577 1.00 10.00 C ATOM 336 CE LYS A 22 -0.518 -16.519 8.590 1.00 10.00 C ATOM 337 NZ LYS A 22 -0.901 -17.917 8.290 1.00 10.00 N ATOM 0 H LYS A 22 0.926 -14.695 2.932 1.00 10.00 H new ATOM 0 HA LYS A 22 1.487 -13.965 5.635 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.338 -16.140 4.118 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.520 -16.785 5.239 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -0.601 -14.803 6.133 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -0.928 -16.524 6.058 1.00 10.00 H new ATOM 0 HD2 LYS A 22 1.347 -16.645 7.506 1.00 10.00 H new ATOM 0 HD3 LYS A 22 0.881 -15.010 7.930 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -0.093 -16.467 9.593 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -1.409 -15.891 8.588 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -1.252 -18.374 9.156 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -1.649 -17.925 7.567 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -0.072 -18.436 7.936 1.00 10.00 H new ATOM 351 N GLY A 23 3.765 -15.055 6.189 1.00 10.00 N ATOM 352 CA GLY A 23 5.186 -15.310 6.409 1.00 10.00 C ATOM 353 C GLY A 23 6.069 -14.179 5.876 1.00 10.00 C ATOM 354 O GLY A 23 7.278 -14.348 5.735 1.00 10.00 O ATOM 0 H GLY A 23 3.225 -14.926 7.045 1.00 10.00 H new ATOM 0 HA2 GLY A 23 5.369 -15.438 7.476 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.464 -16.245 5.923 1.00 10.00 H new ATOM 358 N GLY A 24 5.485 -13.002 5.630 1.00 10.00 N ATOM 359 CA GLY A 24 6.165 -11.914 4.950 1.00 10.00 C ATOM 360 C GLY A 24 7.024 -11.043 5.862 1.00 10.00 C ATOM 361 O GLY A 24 7.541 -10.022 5.407 1.00 10.00 O ATOM 0 H GLY A 24 4.526 -12.784 5.900 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.796 -12.330 4.165 1.00 10.00 H new ATOM 0 HA3 GLY A 24 5.421 -11.285 4.462 1.00 10.00 H new ATOM 365 N LYS A 25 7.166 -11.444 7.130 1.00 10.00 N ATOM 366 CA LYS A 25 7.784 -10.678 8.201 1.00 10.00 C ATOM 367 C LYS A 25 7.087 -9.329 8.427 1.00 10.00 C ATOM 368 O LYS A 25 6.086 -9.020 7.784 1.00 10.00 O ATOM 369 CB LYS A 25 9.306 -10.567 8.003 1.00 10.00 C ATOM 370 CG LYS A 25 9.949 -11.951 7.818 1.00 10.00 C ATOM 371 CD LYS A 25 11.459 -11.881 8.092 1.00 10.00 C ATOM 372 CE LYS A 25 12.108 -13.266 7.936 1.00 10.00 C ATOM 373 NZ LYS A 25 13.500 -13.295 8.439 1.00 10.00 N ATOM 0 H LYS A 25 6.835 -12.356 7.445 1.00 10.00 H new ATOM 0 HA LYS A 25 7.641 -11.228 9.131 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.517 -9.947 7.132 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.751 -10.069 8.864 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.483 -12.669 8.493 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.773 -12.308 6.803 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.926 -11.176 7.404 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.633 -11.505 9.100 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.514 -14.005 8.474 1.00 10.00 H new ATOM 0 HE3 LYS A 25 12.098 -13.553 6.884 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 13.895 -14.249 8.313 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 14.075 -12.609 7.909 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 13.509 -13.048 9.449 1.00 10.00 H new ATOM 387 N HIS A 26 7.597 -8.555 9.392 1.00 10.00 N ATOM 388 CA HIS A 26 7.051 -7.251 9.740 1.00 10.00 C ATOM 389 C HIS A 26 7.734 -6.194 8.873 1.00 10.00 C ATOM 390 O HIS A 26 7.131 -5.694 7.933 1.00 10.00 O ATOM 391 CB HIS A 26 7.208 -6.987 11.248 1.00 10.00 C ATOM 392 CG HIS A 26 6.794 -8.155 12.109 1.00 10.00 C ATOM 393 ND1 HIS A 26 7.602 -8.809 13.012 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.608 -8.837 12.044 1.00 10.00 C ATOM 395 CE1 HIS A 26 6.914 -9.864 13.480 1.00 10.00 C ATOM 396 NE2 HIS A 26 5.700 -9.930 12.911 1.00 10.00 N ATOM 0 H HIS A 26 8.405 -8.823 9.953 1.00 10.00 H new ATOM 0 HA HIS A 26 5.980 -7.213 9.539 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.249 -6.741 11.459 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.612 -6.116 11.520 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.756 -8.577 11.433 1.00 10.00 H new ATOM 0 HE1 HIS A 26 7.287 -10.563 14.214 1.00 10.00 H new ATOM 0 HE2 HIS A 26 4.985 -10.638 13.078 1.00 10.00 H new ATOM 404 N LYS A 27 9.009 -5.899 9.163 1.00 10.00 N ATOM 405 CA LYS A 27 9.799 -4.888 8.465 1.00 10.00 C ATOM 406 C LYS A 27 9.085 -3.525 8.483 1.00 10.00 C ATOM 407 O LYS A 27 8.182 -3.310 9.289 1.00 10.00 O ATOM 408 CB LYS A 27 10.229 -5.424 7.083 1.00 10.00 C ATOM 409 CG LYS A 27 11.314 -6.493 7.305 1.00 10.00 C ATOM 410 CD LYS A 27 11.498 -7.476 6.142 1.00 10.00 C ATOM 411 CE LYS A 27 12.019 -6.812 4.860 1.00 10.00 C ATOM 412 NZ LYS A 27 12.617 -7.804 3.941 1.00 10.00 N ATOM 0 H LYS A 27 9.526 -6.369 9.906 1.00 10.00 H new ATOM 0 HA LYS A 27 10.735 -4.690 8.988 1.00 10.00 H new ATOM 0 HB2 LYS A 27 9.375 -5.851 6.557 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.613 -4.614 6.463 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.264 -5.992 7.493 1.00 10.00 H new ATOM 0 HG3 LYS A 27 11.068 -7.058 8.204 1.00 10.00 H new ATOM 0 HD2 LYS A 27 12.193 -8.260 6.445 1.00 10.00 H new ATOM 0 HD3 LYS A 27 10.544 -7.960 5.930 1.00 10.00 H new ATOM 0 HE2 LYS A 27 11.201 -6.296 4.358 1.00 10.00 H new ATOM 0 HE3 LYS A 27 12.762 -6.057 5.116 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 12.959 -7.322 3.085 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 13.413 -8.279 4.413 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 11.900 -8.510 3.678 1.00 10.00 H new ATOM 426 N THR A 28 9.546 -2.564 7.676 1.00 10.00 N ATOM 427 CA THR A 28 8.968 -1.228 7.685 1.00 10.00 C ATOM 428 C THR A 28 7.528 -1.272 7.173 1.00 10.00 C ATOM 429 O THR A 28 6.623 -0.887 7.904 1.00 10.00 O ATOM 430 CB THR A 28 9.873 -0.254 6.924 1.00 10.00 C ATOM 431 OG1 THR A 28 11.132 -0.190 7.562 1.00 10.00 O ATOM 432 CG2 THR A 28 9.291 1.162 6.877 1.00 10.00 C ATOM 0 H THR A 28 10.312 -2.690 7.015 1.00 10.00 H new ATOM 0 HA THR A 28 8.912 -0.849 8.706 1.00 10.00 H new ATOM 0 HB THR A 28 9.962 -0.626 5.903 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.714 0.431 7.076 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.968 1.816 6.327 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.322 1.141 6.378 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.168 1.539 7.892 1.00 10.00 H new ATOM 440 N GLY A 29 7.291 -1.718 5.937 1.00 10.00 N ATOM 441 CA GLY A 29 5.935 -1.867 5.434 1.00 10.00 C ATOM 442 C GLY A 29 5.361 -3.197 5.925 1.00 10.00 C ATOM 443 O GLY A 29 5.985 -4.235 5.734 1.00 10.00 O ATOM 0 H GLY A 29 8.020 -1.979 5.274 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.314 -1.040 5.778 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.933 -1.836 4.344 1.00 10.00 H new ATOM 447 N PRO A 30 4.182 -3.224 6.557 1.00 10.00 N ATOM 448 CA PRO A 30 3.609 -4.488 6.970 1.00 10.00 C ATOM 449 C PRO A 30 3.273 -5.337 5.742 1.00 10.00 C ATOM 450 O PRO A 30 2.984 -4.820 4.656 1.00 10.00 O ATOM 451 CB PRO A 30 2.384 -4.136 7.816 1.00 10.00 C ATOM 452 CG PRO A 30 2.000 -2.731 7.352 1.00 10.00 C ATOM 453 CD PRO A 30 3.330 -2.108 6.919 1.00 10.00 C ATOM 0 HA PRO A 30 4.298 -5.093 7.560 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.572 -4.845 7.655 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.617 -4.154 8.881 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.287 -2.764 6.528 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.534 -2.159 8.154 1.00 10.00 H new ATOM 0 HD2 PRO A 30 3.190 -1.432 6.076 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.771 -1.524 7.727 1.00 10.00 H new ATOM 461 N ASN A 31 3.312 -6.659 5.916 1.00 10.00 N ATOM 462 CA ASN A 31 2.890 -7.594 4.892 1.00 10.00 C ATOM 463 C ASN A 31 1.383 -7.442 4.716 1.00 10.00 C ATOM 464 O ASN A 31 0.622 -7.889 5.570 1.00 10.00 O ATOM 465 CB ASN A 31 3.297 -9.029 5.265 1.00 10.00 C ATOM 466 CG ASN A 31 2.617 -9.579 6.519 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.605 -8.934 7.564 1.00 10.00 O ATOM 468 ND2 ASN A 31 2.051 -10.780 6.425 1.00 10.00 N ATOM 0 H ASN A 31 3.638 -7.104 6.774 1.00 10.00 H new ATOM 0 HA ASN A 31 3.382 -7.379 3.943 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.069 -9.687 4.426 1.00 10.00 H new ATOM 0 HB3 ASN A 31 4.377 -9.060 5.410 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.589 -11.191 7.236 1.00 10.00 H new ATOM 0 HD22 ASN A 31 2.079 -11.289 5.542 1.00 10.00 H new ATOM 475 N LEU A 32 0.938 -6.769 3.647 1.00 10.00 N ATOM 476 CA LEU A 32 -0.461 -6.366 3.538 1.00 10.00 C ATOM 477 C LEU A 32 -1.401 -7.527 3.141 1.00 10.00 C ATOM 478 O LEU A 32 -2.187 -7.427 2.200 1.00 10.00 O ATOM 479 CB LEU A 32 -0.619 -5.123 2.635 1.00 10.00 C ATOM 480 CG LEU A 32 -0.359 -3.795 3.355 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.118 -2.718 2.289 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.512 -3.401 4.287 1.00 10.00 C ATOM 0 H LEU A 32 1.522 -6.497 2.856 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.784 -6.076 4.538 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.067 -5.209 1.792 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.628 -5.111 2.224 1.00 10.00 H new ATOM 0 HG LEU A 32 0.518 -3.901 3.994 1.00 10.00 H new ATOM 0 HD11 LEU A 32 0.070 -1.761 2.775 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.745 -2.993 1.683 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -0.998 -2.634 1.651 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.279 -2.454 4.773 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.429 -3.296 3.707 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.648 -4.173 5.044 1.00 10.00 H new ATOM 494 N HIS A 33 -1.347 -8.640 3.872 1.00 10.00 N ATOM 495 CA HIS A 33 -2.074 -9.866 3.590 1.00 10.00 C ATOM 496 C HIS A 33 -3.537 -9.732 4.031 1.00 10.00 C ATOM 497 O HIS A 33 -3.976 -10.350 4.999 1.00 10.00 O ATOM 498 CB HIS A 33 -1.339 -11.015 4.283 1.00 10.00 C ATOM 499 CG HIS A 33 -1.989 -12.360 4.107 1.00 10.00 C ATOM 500 ND1 HIS A 33 -2.371 -12.957 2.926 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.319 -13.206 5.126 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.912 -14.149 3.239 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.884 -14.355 4.569 1.00 10.00 N ATOM 0 H HIS A 33 -0.770 -8.709 4.710 1.00 10.00 H new ATOM 0 HA HIS A 33 -2.105 -10.072 2.520 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.320 -11.064 3.899 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.268 -10.795 5.348 1.00 10.00 H new ATOM 0 HD1 HIS A 33 -2.264 -12.568 1.989 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.169 -13.019 6.179 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -3.315 -14.847 2.520 1.00 10.00 H new ATOM 511 N GLY A 34 -4.282 -8.896 3.310 1.00 10.00 N ATOM 512 CA GLY A 34 -5.721 -8.716 3.474 1.00 10.00 C ATOM 513 C GLY A 34 -6.120 -7.263 3.255 1.00 10.00 C ATOM 514 O GLY A 34 -6.887 -6.702 4.031 1.00 10.00 O ATOM 0 H GLY A 34 -3.888 -8.309 2.575 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.253 -9.353 2.767 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -6.018 -9.031 4.474 1.00 10.00 H new ATOM 518 N LEU A 35 -5.586 -6.648 2.198 1.00 10.00 N ATOM 519 CA LEU A 35 -5.822 -5.253 1.883 1.00 10.00 C ATOM 520 C LEU A 35 -7.235 -5.108 1.315 1.00 10.00 C ATOM 521 O LEU A 35 -8.070 -4.373 1.839 1.00 10.00 O ATOM 522 CB LEU A 35 -4.727 -4.824 0.889 1.00 10.00 C ATOM 523 CG LEU A 35 -4.638 -3.338 0.517 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.237 -2.475 1.704 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.560 -3.176 -0.551 1.00 10.00 C ATOM 0 H LEU A 35 -4.971 -7.118 1.533 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.767 -4.607 2.759 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.764 -5.124 1.302 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.869 -5.391 -0.031 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.621 -3.020 0.169 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.186 -1.431 1.394 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.976 -2.583 2.498 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.261 -2.792 2.071 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.480 -2.126 -0.831 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.604 -3.521 -0.158 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.826 -3.766 -1.428 1.00 10.00 H new ATOM 537 N PHE A 36 -7.500 -5.862 0.248 1.00 10.00 N ATOM 538 CA PHE A 36 -8.775 -5.874 -0.443 1.00 10.00 C ATOM 539 C PHE A 36 -9.755 -6.655 0.420 1.00 10.00 C ATOM 540 O PHE A 36 -9.598 -7.862 0.588 1.00 10.00 O ATOM 541 CB PHE A 36 -8.637 -6.495 -1.840 1.00 10.00 C ATOM 542 CG PHE A 36 -7.711 -5.727 -2.765 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.328 -5.781 -2.542 1.00 10.00 C ATOM 544 CD2 PHE A 36 -8.205 -4.943 -3.824 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.451 -4.988 -3.287 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.307 -4.223 -4.636 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.941 -4.181 -4.320 1.00 10.00 C ATOM 0 H PHE A 36 -6.813 -6.494 -0.164 1.00 10.00 H new ATOM 0 HA PHE A 36 -9.138 -4.857 -0.592 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.268 -7.516 -1.738 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.624 -6.557 -2.299 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -5.935 -6.444 -1.785 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -9.267 -4.894 -4.013 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.394 -4.998 -3.065 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -7.673 -3.700 -5.507 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.274 -3.532 -4.868 1.00 10.00 H new ATOM 557 N GLY A 37 -10.752 -5.963 0.970 1.00 10.00 N ATOM 558 CA GLY A 37 -11.760 -6.566 1.826 1.00 10.00 C ATOM 559 C GLY A 37 -11.458 -6.357 3.309 1.00 10.00 C ATOM 560 O GLY A 37 -11.974 -7.101 4.140 1.00 10.00 O ATOM 0 H GLY A 37 -10.879 -4.961 0.830 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.735 -6.139 1.592 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.821 -7.634 1.616 1.00 10.00 H new ATOM 564 N ARG A 38 -10.677 -5.328 3.663 1.00 10.00 N ATOM 565 CA ARG A 38 -10.544 -4.895 5.045 1.00 10.00 C ATOM 566 C ARG A 38 -10.432 -3.369 5.085 1.00 10.00 C ATOM 567 O ARG A 38 -10.038 -2.736 4.105 1.00 10.00 O ATOM 568 CB ARG A 38 -9.371 -5.624 5.723 1.00 10.00 C ATOM 569 CG ARG A 38 -9.488 -5.602 7.255 1.00 10.00 C ATOM 570 CD ARG A 38 -8.591 -6.662 7.908 1.00 10.00 C ATOM 571 NE ARG A 38 -8.841 -6.731 9.358 1.00 10.00 N ATOM 572 CZ ARG A 38 -8.232 -7.566 10.216 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.280 -8.396 9.775 1.00 10.00 N ATOM 574 NH2 ARG A 38 -8.587 -7.569 11.507 1.00 10.00 N ATOM 0 H ARG A 38 -10.127 -4.782 3.000 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.430 -5.163 5.621 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -9.337 -6.657 5.377 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.433 -5.157 5.424 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -9.214 -4.615 7.627 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.525 -5.775 7.543 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.779 -7.635 7.454 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.543 -6.422 7.725 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.535 -6.091 9.743 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.018 -8.394 8.789 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -6.816 -9.031 10.425 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -9.318 -6.938 11.836 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -8.127 -8.202 12.161 1.00 10.00 H new ATOM 588 N LYS A 39 -10.855 -2.781 6.206 1.00 10.00 N ATOM 589 CA LYS A 39 -10.776 -1.346 6.433 1.00 10.00 C ATOM 590 C LYS A 39 -9.348 -0.973 6.831 1.00 10.00 C ATOM 591 O LYS A 39 -8.554 -1.848 7.180 1.00 10.00 O ATOM 592 CB LYS A 39 -11.789 -0.933 7.508 1.00 10.00 C ATOM 593 CG LYS A 39 -13.215 -1.246 7.064 1.00 10.00 C ATOM 594 CD LYS A 39 -14.212 -0.706 8.095 1.00 10.00 C ATOM 595 CE LYS A 39 -15.601 -1.286 7.814 1.00 10.00 C ATOM 596 NZ LYS A 39 -15.849 -2.550 8.540 1.00 10.00 N ATOM 0 H LYS A 39 -11.265 -3.296 6.985 1.00 10.00 H new ATOM 0 HA LYS A 39 -11.025 -0.809 5.518 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.571 -1.457 8.439 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -11.694 0.133 7.712 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -13.408 -0.798 6.089 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -13.342 -2.323 6.951 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.891 -0.974 9.102 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -14.245 0.383 8.050 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -16.359 -0.555 8.096 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -15.708 -1.460 6.743 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -16.802 -2.899 8.314 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -15.144 -3.259 8.254 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.775 -2.383 9.564 1.00 10.00 H new ATOM 610 N THR A 40 -9.021 0.319 6.781 1.00 10.00 N ATOM 611 CA THR A 40 -7.715 0.800 7.189 1.00 10.00 C ATOM 612 C THR A 40 -7.584 0.731 8.716 1.00 10.00 C ATOM 613 O THR A 40 -8.486 0.268 9.412 1.00 10.00 O ATOM 614 CB THR A 40 -7.467 2.203 6.611 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.168 3.198 7.329 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.919 2.313 5.160 1.00 10.00 C ATOM 0 H THR A 40 -9.654 1.051 6.458 1.00 10.00 H new ATOM 0 HA THR A 40 -6.932 0.158 6.784 1.00 10.00 H new ATOM 0 HB THR A 40 -6.391 2.357 6.688 1.00 10.00 H new ATOM 0 HG1 THR A 40 -7.557 3.643 7.953 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.724 3.321 4.794 1.00 10.00 H new ATOM 0 HG22 THR A 40 -7.370 1.594 4.552 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.987 2.103 5.095 1.00 10.00 H new ATOM 624 N GLY A 41 -6.453 1.200 9.243 1.00 10.00 N ATOM 625 CA GLY A 41 -6.135 1.133 10.667 1.00 10.00 C ATOM 626 C GLY A 41 -6.321 -0.258 11.282 1.00 10.00 C ATOM 627 O GLY A 41 -6.798 -0.366 12.412 1.00 10.00 O ATOM 0 H GLY A 41 -5.723 1.643 8.685 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.102 1.449 10.813 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.764 1.843 11.203 1.00 10.00 H new ATOM 631 N GLN A 42 -5.960 -1.320 10.555 1.00 10.00 N ATOM 632 CA GLN A 42 -6.152 -2.706 10.977 1.00 10.00 C ATOM 633 C GLN A 42 -4.937 -3.545 10.576 1.00 10.00 C ATOM 634 O GLN A 42 -5.052 -4.523 9.838 1.00 10.00 O ATOM 635 CB GLN A 42 -7.461 -3.261 10.387 1.00 10.00 C ATOM 636 CG GLN A 42 -8.723 -2.696 11.053 1.00 10.00 C ATOM 637 CD GLN A 42 -8.874 -3.198 12.484 1.00 10.00 C ATOM 638 OE1 GLN A 42 -9.396 -4.290 12.701 1.00 10.00 O ATOM 639 NE2 GLN A 42 -8.407 -2.423 13.458 1.00 10.00 N ATOM 0 H GLN A 42 -5.518 -1.236 9.640 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.239 -2.752 12.063 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.492 -3.038 9.320 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.463 -4.346 10.486 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.680 -1.607 11.051 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.600 -2.981 10.472 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -7.981 -1.524 13.234 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -8.475 -2.728 14.429 1.00 10.00 H new ATOM 648 N ALA A 43 -3.765 -3.162 11.084 1.00 10.00 N ATOM 649 CA ALA A 43 -2.535 -3.913 10.887 1.00 10.00 C ATOM 650 C ALA A 43 -2.611 -5.264 11.617 1.00 10.00 C ATOM 651 O ALA A 43 -3.259 -5.344 12.659 1.00 10.00 O ATOM 652 CB ALA A 43 -1.367 -3.087 11.422 1.00 10.00 C ATOM 0 H ALA A 43 -3.647 -2.318 11.645 1.00 10.00 H new ATOM 0 HA ALA A 43 -2.391 -4.110 9.825 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.437 -3.638 11.281 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -1.314 -2.141 10.883 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.516 -2.892 12.484 1.00 10.00 H new ATOM 658 N PRO A 44 -1.964 -6.325 11.102 1.00 10.00 N ATOM 659 CA PRO A 44 -2.026 -7.644 11.710 1.00 10.00 C ATOM 660 C PRO A 44 -1.167 -7.735 12.973 1.00 10.00 C ATOM 661 O PRO A 44 -1.687 -7.964 14.061 1.00 10.00 O ATOM 662 CB PRO A 44 -1.590 -8.626 10.616 1.00 10.00 C ATOM 663 CG PRO A 44 -0.732 -7.789 9.663 1.00 10.00 C ATOM 664 CD PRO A 44 -1.285 -6.369 9.815 1.00 10.00 C ATOM 0 HA PRO A 44 -3.032 -7.879 12.057 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -1.022 -9.458 11.033 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -2.451 -9.054 10.102 1.00 10.00 H new ATOM 0 HG2 PRO A 44 0.324 -7.837 9.930 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -0.817 -8.142 8.635 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -0.482 -5.634 9.775 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -1.974 -6.132 9.004 1.00 10.00 H new ATOM 672 N GLY A 45 0.149 -7.575 12.828 1.00 10.00 N ATOM 673 CA GLY A 45 1.099 -7.594 13.930 1.00 10.00 C ATOM 674 C GLY A 45 2.191 -6.580 13.629 1.00 10.00 C ATOM 675 O GLY A 45 3.367 -6.918 13.516 1.00 10.00 O ATOM 0 H GLY A 45 0.589 -7.426 11.920 1.00 10.00 H new ATOM 0 HA2 GLY A 45 0.600 -7.349 14.867 1.00 10.00 H new ATOM 0 HA3 GLY A 45 1.526 -8.590 14.047 1.00 10.00 H new ATOM 679 N PHE A 46 1.767 -5.330 13.456 1.00 10.00 N ATOM 680 CA PHE A 46 2.625 -4.189 13.193 1.00 10.00 C ATOM 681 C PHE A 46 1.944 -2.985 13.856 1.00 10.00 C ATOM 682 O PHE A 46 0.719 -2.886 13.801 1.00 10.00 O ATOM 683 CB PHE A 46 2.767 -4.022 11.674 1.00 10.00 C ATOM 684 CG PHE A 46 3.345 -2.700 11.210 1.00 10.00 C ATOM 685 CD1 PHE A 46 4.735 -2.539 11.067 1.00 10.00 C ATOM 686 CD2 PHE A 46 2.483 -1.633 10.892 1.00 10.00 C ATOM 687 CE1 PHE A 46 5.261 -1.301 10.660 1.00 10.00 C ATOM 688 CE2 PHE A 46 3.012 -0.392 10.500 1.00 10.00 C ATOM 689 CZ PHE A 46 4.401 -0.221 10.395 1.00 10.00 C ATOM 0 H PHE A 46 0.779 -5.080 13.498 1.00 10.00 H new ATOM 0 HA PHE A 46 3.632 -4.304 13.595 1.00 10.00 H new ATOM 0 HB2 PHE A 46 3.398 -4.826 11.296 1.00 10.00 H new ATOM 0 HB3 PHE A 46 1.784 -4.147 11.220 1.00 10.00 H new ATOM 0 HD1 PHE A 46 5.398 -3.367 11.270 1.00 10.00 H new ATOM 0 HD2 PHE A 46 1.413 -1.769 10.950 1.00 10.00 H new ATOM 0 HE1 PHE A 46 6.328 -1.179 10.551 1.00 10.00 H new ATOM 0 HE2 PHE A 46 2.349 0.431 10.279 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.808 0.738 10.111 1.00 10.00 H new ATOM 699 N THR A 47 2.702 -2.115 14.528 1.00 10.00 N ATOM 700 CA THR A 47 2.171 -0.943 15.215 1.00 10.00 C ATOM 701 C THR A 47 1.453 -0.008 14.232 1.00 10.00 C ATOM 702 O THR A 47 1.927 0.209 13.125 1.00 10.00 O ATOM 703 CB THR A 47 3.343 -0.243 15.916 1.00 10.00 C ATOM 704 OG1 THR A 47 4.078 -1.211 16.641 1.00 10.00 O ATOM 705 CG2 THR A 47 2.891 0.864 16.873 1.00 10.00 C ATOM 0 H THR A 47 3.714 -2.209 14.609 1.00 10.00 H new ATOM 0 HA THR A 47 1.426 -1.238 15.954 1.00 10.00 H new ATOM 0 HB THR A 47 3.953 0.229 15.146 1.00 10.00 H new ATOM 0 HG1 THR A 47 4.832 -0.778 17.093 1.00 10.00 H new ATOM 0 HG21 THR A 47 3.764 1.322 17.338 1.00 10.00 H new ATOM 0 HG22 THR A 47 2.337 1.621 16.318 1.00 10.00 H new ATOM 0 HG23 THR A 47 2.250 0.438 17.645 1.00 10.00 H new ATOM 713 N TYR A 48 0.313 0.560 14.633 1.00 10.00 N ATOM 714 CA TYR A 48 -0.480 1.443 13.788 1.00 10.00 C ATOM 715 C TYR A 48 0.238 2.785 13.654 1.00 10.00 C ATOM 716 O TYR A 48 1.285 2.993 14.266 1.00 10.00 O ATOM 717 CB TYR A 48 -1.869 1.628 14.423 1.00 10.00 C ATOM 718 CG TYR A 48 -2.558 0.341 14.843 1.00 10.00 C ATOM 719 CD1 TYR A 48 -2.341 -0.188 16.132 1.00 10.00 C ATOM 720 CD2 TYR A 48 -3.413 -0.332 13.950 1.00 10.00 C ATOM 721 CE1 TYR A 48 -2.918 -1.415 16.500 1.00 10.00 C ATOM 722 CE2 TYR A 48 -4.028 -1.534 14.340 1.00 10.00 C ATOM 723 CZ TYR A 48 -3.759 -2.091 15.601 1.00 10.00 C ATOM 724 OH TYR A 48 -4.353 -3.263 15.961 1.00 10.00 O ATOM 0 H TYR A 48 -0.085 0.416 15.561 1.00 10.00 H new ATOM 0 HA TYR A 48 -0.602 1.012 12.794 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.770 2.272 15.297 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -2.510 2.151 13.713 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -1.729 0.352 16.839 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -3.596 0.075 12.966 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -2.715 -1.838 17.473 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -4.711 -2.032 13.667 1.00 10.00 H new ATOM 0 HH TYR A 48 -4.902 -3.593 15.219 1.00 10.00 H new ATOM 734 N THR A 49 -0.321 3.707 12.868 1.00 10.00 N ATOM 735 CA THR A 49 0.265 5.020 12.659 1.00 10.00 C ATOM 736 C THR A 49 -0.861 6.057 12.630 1.00 10.00 C ATOM 737 O THR A 49 -2.014 5.727 12.351 1.00 10.00 O ATOM 738 CB THR A 49 1.085 4.973 11.353 1.00 10.00 C ATOM 739 OG1 THR A 49 2.208 4.134 11.532 1.00 10.00 O ATOM 740 CG2 THR A 49 1.619 6.336 10.903 1.00 10.00 C ATOM 0 H THR A 49 -1.193 3.558 12.361 1.00 10.00 H new ATOM 0 HA THR A 49 0.942 5.306 13.464 1.00 10.00 H new ATOM 0 HB THR A 49 0.398 4.606 10.590 1.00 10.00 H new ATOM 0 HG1 THR A 49 2.728 4.102 10.702 1.00 10.00 H new ATOM 0 HG21 THR A 49 2.184 6.218 9.978 1.00 10.00 H new ATOM 0 HG22 THR A 49 0.784 7.016 10.734 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.269 6.745 11.676 1.00 10.00 H new ATOM 748 N ASP A 50 -0.554 7.329 12.895 1.00 10.00 N ATOM 749 CA ASP A 50 -1.539 8.404 12.846 1.00 10.00 C ATOM 750 C ASP A 50 -1.804 8.809 11.394 1.00 10.00 C ATOM 751 O ASP A 50 -1.630 9.959 11.003 1.00 10.00 O ATOM 752 CB ASP A 50 -1.070 9.574 13.716 1.00 10.00 C ATOM 753 CG ASP A 50 -0.941 9.141 15.167 1.00 10.00 C ATOM 754 OD1 ASP A 50 -2.002 8.865 15.770 1.00 10.00 O ATOM 755 OD2 ASP A 50 0.218 9.043 15.623 1.00 10.00 O ATOM 0 H ASP A 50 0.384 7.639 13.149 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.490 8.061 13.254 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -0.110 9.942 13.354 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -1.778 10.399 13.638 1.00 10.00 H new ATOM 760 N ALA A 51 -2.237 7.835 10.592 1.00 10.00 N ATOM 761 CA ALA A 51 -2.523 7.984 9.179 1.00 10.00 C ATOM 762 C ALA A 51 -3.373 6.807 8.727 1.00 10.00 C ATOM 763 O ALA A 51 -4.523 7.000 8.340 1.00 10.00 O ATOM 764 CB ALA A 51 -1.229 8.084 8.370 1.00 10.00 C ATOM 0 H ALA A 51 -2.402 6.887 10.930 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.075 8.909 9.010 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.469 8.195 7.313 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.656 8.949 8.705 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.638 7.179 8.515 1.00 10.00 H new ATOM 770 N ASN A 52 -2.833 5.587 8.827 1.00 10.00 N ATOM 771 CA ASN A 52 -3.557 4.373 8.454 1.00 10.00 C ATOM 772 C ASN A 52 -4.907 4.324 9.173 1.00 10.00 C ATOM 773 O ASN A 52 -5.931 4.016 8.568 1.00 10.00 O ATOM 774 CB ASN A 52 -2.713 3.100 8.676 1.00 10.00 C ATOM 775 CG ASN A 52 -2.538 2.674 10.138 1.00 10.00 C ATOM 776 OD1 ASN A 52 -2.592 3.490 11.050 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.365 1.391 10.415 1.00 10.00 N ATOM 0 H ASN A 52 -1.887 5.417 9.167 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.754 4.406 7.382 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -3.175 2.278 8.129 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -1.726 3.258 8.241 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -2.277 1.086 11.384 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.319 0.708 9.659 1.00 10.00 H new ATOM 784 N LYS A 53 -4.919 4.678 10.459 1.00 10.00 N ATOM 785 CA LYS A 53 -6.125 4.740 11.265 1.00 10.00 C ATOM 786 C LYS A 53 -6.898 6.030 11.026 1.00 10.00 C ATOM 787 O LYS A 53 -8.124 6.030 11.077 1.00 10.00 O ATOM 788 CB LYS A 53 -5.748 4.569 12.741 1.00 10.00 C ATOM 789 CG LYS A 53 -7.000 4.294 13.587 1.00 10.00 C ATOM 790 CD LYS A 53 -6.662 3.684 14.958 1.00 10.00 C ATOM 791 CE LYS A 53 -6.836 4.682 16.112 1.00 10.00 C ATOM 792 NZ LYS A 53 -5.847 5.780 16.070 1.00 10.00 N ATOM 0 H LYS A 53 -4.075 4.932 10.972 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.791 3.929 10.971 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.041 3.747 12.849 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.248 5.468 13.102 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.548 5.225 13.732 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -7.660 3.617 13.044 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -7.301 2.818 15.133 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -5.633 3.324 14.947 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -7.841 5.102 16.075 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -6.746 4.153 17.061 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -6.009 6.424 16.870 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -4.887 5.385 16.133 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -5.948 6.304 15.178 1.00 10.00 H new ATOM 806 N ASN A 54 -6.186 7.133 10.789 1.00 10.00 N ATOM 807 CA ASN A 54 -6.816 8.426 10.566 1.00 10.00 C ATOM 808 C ASN A 54 -7.679 8.398 9.303 1.00 10.00 C ATOM 809 O ASN A 54 -8.666 9.120 9.209 1.00 10.00 O ATOM 810 CB ASN A 54 -5.747 9.524 10.492 1.00 10.00 C ATOM 811 CG ASN A 54 -6.253 10.820 11.111 1.00 10.00 C ATOM 812 OD1 ASN A 54 -6.530 11.792 10.418 1.00 10.00 O ATOM 813 ND2 ASN A 54 -6.361 10.837 12.437 1.00 10.00 N ATOM 0 H ASN A 54 -5.167 7.151 10.747 1.00 10.00 H new ATOM 0 HA ASN A 54 -7.475 8.648 11.405 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -4.847 9.196 11.012 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.470 9.697 9.452 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -6.684 11.680 12.912 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -6.121 10.007 12.979 1.00 10.00 H new ATOM 820 N LYS A 55 -7.297 7.560 8.333 1.00 10.00 N ATOM 821 CA LYS A 55 -7.986 7.424 7.060 1.00 10.00 C ATOM 822 C LYS A 55 -9.407 6.891 7.253 1.00 10.00 C ATOM 823 O LYS A 55 -10.376 7.537 6.867 1.00 10.00 O ATOM 824 CB LYS A 55 -7.142 6.521 6.140 1.00 10.00 C ATOM 825 CG LYS A 55 -7.037 7.092 4.722 1.00 10.00 C ATOM 826 CD LYS A 55 -5.745 6.573 4.063 1.00 10.00 C ATOM 827 CE LYS A 55 -5.208 7.524 2.986 1.00 10.00 C ATOM 828 NZ LYS A 55 -5.867 7.341 1.684 1.00 10.00 N ATOM 0 H LYS A 55 -6.485 6.949 8.419 1.00 10.00 H new ATOM 0 HA LYS A 55 -8.094 8.401 6.590 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.143 6.406 6.560 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.587 5.527 6.099 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.905 6.796 4.132 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.031 8.181 4.755 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -4.983 6.431 4.829 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.936 5.597 3.618 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -5.345 8.554 3.316 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.136 7.366 2.871 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -5.760 8.206 1.116 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -5.430 6.541 1.183 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -6.878 7.147 1.831 1.00 10.00 H new ATOM 842 N GLY A 56 -9.523 5.693 7.827 1.00 10.00 N ATOM 843 CA GLY A 56 -10.799 5.053 8.099 1.00 10.00 C ATOM 844 C GLY A 56 -11.581 4.740 6.823 1.00 10.00 C ATOM 845 O GLY A 56 -12.790 4.955 6.767 1.00 10.00 O ATOM 0 H GLY A 56 -8.719 5.137 8.118 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.628 4.129 8.652 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.398 5.701 8.739 1.00 10.00 H new ATOM 849 N ILE A 57 -10.892 4.215 5.806 1.00 10.00 N ATOM 850 CA ILE A 57 -11.474 3.845 4.515 1.00 10.00 C ATOM 851 C ILE A 57 -11.359 2.341 4.255 1.00 10.00 C ATOM 852 O ILE A 57 -11.035 1.578 5.166 1.00 10.00 O ATOM 853 CB ILE A 57 -10.909 4.752 3.396 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.388 4.691 3.186 1.00 10.00 C ATOM 855 CG2 ILE A 57 -11.305 6.200 3.697 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.914 3.525 2.309 1.00 10.00 C ATOM 0 H ILE A 57 -9.890 4.031 5.860 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.548 4.029 4.529 1.00 10.00 H new ATOM 0 HB ILE A 57 -11.342 4.374 2.470 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -9.058 5.627 2.734 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.902 4.618 4.159 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.914 6.854 2.917 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.392 6.281 3.728 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.891 6.498 4.661 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.829 3.559 2.214 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -9.209 2.581 2.768 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -9.367 3.605 1.321 1.00 10.00 H new ATOM 868 N THR A 58 -11.644 1.916 3.020 1.00 10.00 N ATOM 869 CA THR A 58 -11.514 0.548 2.548 1.00 10.00 C ATOM 870 C THR A 58 -10.486 0.552 1.418 1.00 10.00 C ATOM 871 O THR A 58 -10.644 1.280 0.438 1.00 10.00 O ATOM 872 CB THR A 58 -12.884 0.032 2.082 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.547 0.993 1.284 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.765 -0.284 3.292 1.00 10.00 C ATOM 0 H THR A 58 -11.986 2.549 2.297 1.00 10.00 H new ATOM 0 HA THR A 58 -11.175 -0.121 3.338 1.00 10.00 H new ATOM 0 HB THR A 58 -12.714 -0.868 1.492 1.00 10.00 H new ATOM 0 HG1 THR A 58 -12.905 1.407 0.670 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.734 -0.649 2.951 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.284 -1.048 3.903 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.906 0.619 3.885 1.00 10.00 H new ATOM 882 N TRP A 59 -9.403 -0.213 1.562 1.00 10.00 N ATOM 883 CA TRP A 59 -8.416 -0.314 0.504 1.00 10.00 C ATOM 884 C TRP A 59 -9.008 -1.179 -0.605 1.00 10.00 C ATOM 885 O TRP A 59 -9.239 -2.368 -0.402 1.00 10.00 O ATOM 886 CB TRP A 59 -7.124 -0.900 1.056 1.00 10.00 C ATOM 887 CG TRP A 59 -6.480 -0.083 2.126 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.485 -0.365 3.448 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.763 1.178 1.979 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.758 0.607 4.112 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.342 1.610 3.266 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.443 2.015 0.889 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.655 2.817 3.469 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.724 3.209 1.074 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.333 3.615 2.362 1.00 10.00 C ATOM 0 H TRP A 59 -9.194 -0.764 2.395 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.172 0.667 0.098 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.331 -1.895 1.451 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.417 -1.024 0.236 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -6.975 -1.209 3.910 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.554 0.583 5.111 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.756 1.733 -0.106 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.378 3.127 4.466 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.470 3.819 0.220 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.787 4.537 2.498 1.00 10.00 H new ATOM 906 N LYS A 60 -9.308 -0.565 -1.750 1.00 10.00 N ATOM 907 CA LYS A 60 -10.007 -1.216 -2.851 1.00 10.00 C ATOM 908 C LYS A 60 -9.312 -0.931 -4.182 1.00 10.00 C ATOM 909 O LYS A 60 -9.015 -1.865 -4.913 1.00 10.00 O ATOM 910 CB LYS A 60 -11.495 -0.831 -2.832 1.00 10.00 C ATOM 911 CG LYS A 60 -11.737 0.677 -2.951 1.00 10.00 C ATOM 912 CD LYS A 60 -13.221 1.040 -2.846 1.00 10.00 C ATOM 913 CE LYS A 60 -13.321 2.552 -3.085 1.00 10.00 C ATOM 914 NZ LYS A 60 -14.639 3.010 -3.562 1.00 10.00 N ATOM 0 H LYS A 60 -9.069 0.409 -1.938 1.00 10.00 H new ATOM 0 HA LYS A 60 -9.966 -2.298 -2.725 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.004 -1.339 -3.651 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -11.944 -1.191 -1.906 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.183 1.194 -2.168 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.346 1.031 -3.905 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.807 0.492 -3.584 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.616 0.776 -1.865 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.085 3.070 -2.156 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -12.564 2.843 -3.813 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -14.625 4.043 -3.681 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -14.854 2.559 -4.474 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.369 2.752 -2.867 1.00 10.00 H new ATOM 928 N GLU A 61 -9.035 0.344 -4.474 1.00 10.00 N ATOM 929 CA GLU A 61 -8.268 0.811 -5.622 1.00 10.00 C ATOM 930 C GLU A 61 -8.309 2.338 -5.689 1.00 10.00 C ATOM 931 O GLU A 61 -7.260 2.931 -5.496 1.00 10.00 O ATOM 932 CB GLU A 61 -8.637 0.143 -6.951 1.00 10.00 C ATOM 933 CG GLU A 61 -10.149 -0.027 -7.170 1.00 10.00 C ATOM 934 CD GLU A 61 -10.526 0.349 -8.590 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.469 1.567 -8.861 1.00 10.00 O ATOM 936 OE2 GLU A 61 -10.825 -0.582 -9.368 1.00 10.00 O ATOM 0 H GLU A 61 -9.357 1.111 -3.885 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.237 0.496 -5.462 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -8.227 0.735 -7.769 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.162 -0.837 -6.997 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.437 -1.059 -6.972 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.697 0.598 -6.465 1.00 10.00 H new ATOM 943 N GLU A 62 -9.472 2.979 -5.883 1.00 10.00 N ATOM 944 CA GLU A 62 -9.637 4.441 -5.922 1.00 10.00 C ATOM 945 C GLU A 62 -8.705 5.159 -4.941 1.00 10.00 C ATOM 946 O GLU A 62 -7.828 5.918 -5.340 1.00 10.00 O ATOM 947 CB GLU A 62 -11.086 4.817 -5.557 1.00 10.00 C ATOM 948 CG GLU A 62 -12.173 4.360 -6.543 1.00 10.00 C ATOM 949 CD GLU A 62 -13.532 4.271 -5.858 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.787 5.053 -4.912 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.249 3.271 -6.084 1.00 10.00 O ATOM 0 H GLU A 62 -10.350 2.479 -6.021 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.390 4.756 -6.936 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.313 4.396 -4.577 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.145 5.901 -5.460 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.228 5.059 -7.378 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.907 3.388 -6.958 1.00 10.00 H new ATOM 958 N THR A 63 -8.872 4.910 -3.639 1.00 10.00 N ATOM 959 CA THR A 63 -8.022 5.553 -2.650 1.00 10.00 C ATOM 960 C THR A 63 -6.545 5.258 -2.924 1.00 10.00 C ATOM 961 O THR A 63 -5.704 6.151 -2.870 1.00 10.00 O ATOM 962 CB THR A 63 -8.444 5.122 -1.241 1.00 10.00 C ATOM 963 OG1 THR A 63 -9.702 5.682 -0.930 1.00 10.00 O ATOM 964 CG2 THR A 63 -7.429 5.614 -0.216 1.00 10.00 C ATOM 0 H THR A 63 -9.576 4.279 -3.256 1.00 10.00 H new ATOM 0 HA THR A 63 -8.146 6.634 -2.721 1.00 10.00 H new ATOM 0 HB THR A 63 -8.499 4.034 -1.212 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.970 5.404 -0.030 1.00 10.00 H new ATOM 0 HG21 THR A 63 -7.739 5.302 0.781 1.00 10.00 H new ATOM 0 HG22 THR A 63 -6.450 5.190 -0.441 1.00 10.00 H new ATOM 0 HG23 THR A 63 -7.371 6.702 -0.254 1.00 10.00 H new ATOM 972 N LEU A 64 -6.229 3.995 -3.197 1.00 10.00 N ATOM 973 CA LEU A 64 -4.887 3.521 -3.479 1.00 10.00 C ATOM 974 C LEU A 64 -4.276 4.266 -4.677 1.00 10.00 C ATOM 975 O LEU A 64 -3.111 4.659 -4.624 1.00 10.00 O ATOM 976 CB LEU A 64 -4.936 1.990 -3.664 1.00 10.00 C ATOM 977 CG LEU A 64 -4.033 1.214 -2.706 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.756 -0.030 -2.173 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.756 0.815 -3.454 1.00 10.00 C ATOM 0 H LEU A 64 -6.927 3.252 -3.228 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.223 3.736 -2.642 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -5.964 1.652 -3.531 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.652 1.750 -4.688 1.00 10.00 H new ATOM 0 HG LEU A 64 -3.778 1.841 -1.852 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.098 -0.570 -1.493 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.658 0.273 -1.641 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -5.027 -0.678 -3.006 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.100 0.260 -2.784 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -3.015 0.190 -4.308 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.243 1.712 -3.803 1.00 10.00 H new ATOM 991 N MET A 65 -5.069 4.497 -5.730 1.00 10.00 N ATOM 992 CA MET A 65 -4.654 5.176 -6.947 1.00 10.00 C ATOM 993 C MET A 65 -3.995 6.516 -6.631 1.00 10.00 C ATOM 994 O MET A 65 -2.988 6.855 -7.255 1.00 10.00 O ATOM 995 CB MET A 65 -5.840 5.366 -7.916 1.00 10.00 C ATOM 996 CG MET A 65 -6.276 4.116 -8.695 1.00 10.00 C ATOM 997 SD MET A 65 -6.727 4.488 -10.418 1.00 10.00 S ATOM 998 CE MET A 65 -7.143 2.850 -11.055 1.00 10.00 C ATOM 0 H MET A 65 -6.046 4.205 -5.752 1.00 10.00 H new ATOM 0 HA MET A 65 -3.916 4.543 -7.440 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.694 5.732 -7.347 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.578 6.144 -8.633 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.467 3.385 -8.685 1.00 10.00 H new ATOM 0 HG3 MET A 65 -7.127 3.657 -8.192 1.00 10.00 H new ATOM 0 HE1 MET A 65 -7.437 2.931 -12.101 1.00 10.00 H new ATOM 0 HE2 MET A 65 -6.275 2.196 -10.971 1.00 10.00 H new ATOM 0 HE3 MET A 65 -7.968 2.434 -10.477 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.557 7.252 -5.667 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.060 8.549 -5.241 1.00 10.00 C ATOM 1010 C GLU A 66 -3.036 8.369 -4.125 1.00 10.00 C ATOM 1011 O GLU A 66 -2.022 9.050 -4.106 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.243 9.417 -4.802 1.00 10.00 C ATOM 1013 CG GLU A 66 -5.946 10.016 -6.024 1.00 10.00 C ATOM 1014 CD GLU A 66 -7.358 10.455 -5.670 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -7.470 11.504 -5.000 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -8.292 9.720 -6.052 1.00 10.00 O ATOM 0 H GLU A 66 -5.386 6.950 -5.155 1.00 10.00 H new ATOM 0 HA GLU A 66 -3.556 9.054 -6.065 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -5.948 8.818 -4.226 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -4.894 10.215 -4.147 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -5.377 10.868 -6.395 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -5.979 9.280 -6.828 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.267 7.446 -3.193 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.362 7.206 -2.080 1.00 10.00 C ATOM 1025 C TYR A 67 -0.941 6.945 -2.578 1.00 10.00 C ATOM 1026 O TYR A 67 0.015 7.535 -2.078 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.882 6.024 -1.263 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.157 5.781 0.047 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.144 6.770 1.049 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.502 4.556 0.272 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.540 6.508 2.292 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.908 4.296 1.517 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.960 5.253 2.542 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.429 4.980 3.768 1.00 10.00 O ATOM 0 H TYR A 67 -4.090 6.844 -3.192 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.325 8.093 -1.447 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.939 6.185 -1.051 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.813 5.123 -1.872 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.599 7.732 0.863 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.456 3.816 -0.513 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.522 7.272 3.055 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.408 3.354 1.687 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.070 4.068 3.773 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.803 6.066 -3.572 1.00 10.00 N ATOM 1045 CA LEU A 68 0.498 5.802 -4.166 1.00 10.00 C ATOM 1046 C LEU A 68 0.972 7.004 -4.976 1.00 10.00 C ATOM 1047 O LEU A 68 2.153 7.330 -4.933 1.00 10.00 O ATOM 1048 CB LEU A 68 0.474 4.526 -5.012 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.027 3.299 -4.239 1.00 10.00 C ATOM 1050 CD1 LEU A 68 0.165 2.056 -5.114 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.645 3.095 -2.876 1.00 10.00 C ATOM 0 H LEU A 68 -1.572 5.532 -3.976 1.00 10.00 H new ATOM 0 HA LEU A 68 1.213 5.639 -3.360 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.164 4.686 -5.881 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.478 4.327 -5.386 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.081 3.470 -4.019 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.187 1.175 -4.577 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.403 2.170 -6.037 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.222 1.938 -5.351 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.233 2.207 -2.397 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.719 2.968 -3.015 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.462 3.965 -2.246 1.00 10.00 H new ATOM 1063 N GLU A 69 0.062 7.659 -5.701 1.00 10.00 N ATOM 1064 CA GLU A 69 0.370 8.743 -6.628 1.00 10.00 C ATOM 1065 C GLU A 69 0.200 10.123 -5.972 1.00 10.00 C ATOM 1066 O GLU A 69 -0.130 11.100 -6.638 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.475 8.511 -7.894 1.00 10.00 C ATOM 1068 CG GLU A 69 0.176 8.942 -9.218 1.00 10.00 C ATOM 1069 CD GLU A 69 -0.528 10.140 -9.818 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -1.707 9.912 -10.181 1.00 10.00 O ATOM 1071 OE2 GLU A 69 0.120 11.200 -9.941 1.00 10.00 O ATOM 0 H GLU A 69 -0.934 7.442 -5.656 1.00 10.00 H new ATOM 0 HA GLU A 69 1.421 8.738 -6.917 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -0.717 7.450 -7.958 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.418 9.047 -7.783 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.225 9.183 -9.047 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.150 8.112 -9.924 1.00 10.00 H new ATOM 1078 N ASN A 70 0.418 10.201 -4.653 1.00 10.00 N ATOM 1079 CA ASN A 70 0.182 11.367 -3.799 1.00 10.00 C ATOM 1080 C ASN A 70 0.236 10.919 -2.322 1.00 10.00 C ATOM 1081 O ASN A 70 -0.734 11.084 -1.580 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.168 12.050 -4.155 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.048 13.380 -4.904 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.245 14.254 -4.570 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -1.916 13.591 -5.888 1.00 10.00 N ATOM 0 H ASN A 70 0.784 9.408 -4.126 1.00 10.00 H new ATOM 0 HA ASN A 70 0.958 12.114 -3.965 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.756 11.362 -4.762 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.725 12.219 -3.234 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -1.924 14.486 -6.378 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.574 12.858 -6.153 1.00 10.00 H new ATOM 1092 N PRO A 71 1.368 10.373 -1.839 1.00 10.00 N ATOM 1093 CA PRO A 71 1.478 9.963 -0.446 1.00 10.00 C ATOM 1094 C PRO A 71 1.394 11.187 0.470 1.00 10.00 C ATOM 1095 O PRO A 71 0.600 11.218 1.409 1.00 10.00 O ATOM 1096 CB PRO A 71 2.809 9.212 -0.331 1.00 10.00 C ATOM 1097 CG PRO A 71 3.648 9.751 -1.492 1.00 10.00 C ATOM 1098 CD PRO A 71 2.606 10.102 -2.558 1.00 10.00 C ATOM 0 HA PRO A 71 0.663 9.310 -0.133 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.290 9.400 0.629 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.666 8.134 -0.410 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.228 10.625 -1.195 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.357 9.006 -1.854 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.918 10.971 -3.137 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.476 9.280 -3.262 1.00 10.00 H new ATOM 1106 N LYS A 72 2.181 12.226 0.172 1.00 10.00 N ATOM 1107 CA LYS A 72 2.192 13.473 0.924 1.00 10.00 C ATOM 1108 C LYS A 72 1.004 14.362 0.542 1.00 10.00 C ATOM 1109 O LYS A 72 1.180 15.527 0.189 1.00 10.00 O ATOM 1110 CB LYS A 72 3.552 14.187 0.803 1.00 10.00 C ATOM 1111 CG LYS A 72 3.996 14.702 -0.583 1.00 10.00 C ATOM 1112 CD LYS A 72 4.579 13.622 -1.507 1.00 10.00 C ATOM 1113 CE LYS A 72 5.601 14.200 -2.500 1.00 10.00 C ATOM 1114 NZ LYS A 72 5.005 15.176 -3.437 1.00 10.00 N ATOM 0 H LYS A 72 2.835 12.219 -0.610 1.00 10.00 H new ATOM 0 HA LYS A 72 2.067 13.238 1.981 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.541 15.038 1.484 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.319 13.501 1.162 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.140 15.162 -1.077 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.742 15.485 -0.444 1.00 10.00 H new ATOM 0 HD2 LYS A 72 5.057 12.849 -0.904 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.770 13.142 -2.058 1.00 10.00 H new ATOM 0 HE2 LYS A 72 6.406 14.682 -1.945 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.049 13.385 -3.069 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 5.740 15.532 -4.082 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 4.254 14.714 -3.989 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 4.601 15.970 -2.901 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.208 13.807 0.589 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.413 14.524 0.195 1.00 10.00 C ATOM 1130 C LYS A 73 -2.571 14.198 1.131 1.00 10.00 C ATOM 1131 O LYS A 73 -3.066 15.087 1.818 1.00 10.00 O ATOM 1132 CB LYS A 73 -1.735 14.230 -1.279 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.257 15.460 -2.030 1.00 10.00 C ATOM 1134 CD LYS A 73 -1.135 16.488 -2.257 1.00 10.00 C ATOM 1135 CE LYS A 73 -1.577 17.584 -3.239 1.00 10.00 C ATOM 1136 NZ LYS A 73 -0.927 17.433 -4.557 1.00 10.00 N ATOM 0 H LYS A 73 -0.378 12.851 0.901 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.243 15.597 0.284 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -0.838 13.861 -1.775 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.479 13.435 -1.332 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -2.674 15.154 -2.990 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -3.066 15.920 -1.463 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -0.854 16.940 -1.306 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -0.249 15.984 -2.644 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -2.660 17.548 -3.361 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -1.336 18.563 -2.824 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -1.589 17.721 -5.306 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -0.078 18.032 -4.596 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -0.656 16.439 -4.699 1.00 10.00 H new ATOM 1150 N TYR A 74 -2.989 12.929 1.174 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.069 12.497 2.054 1.00 10.00 C ATOM 1152 C TYR A 74 -3.811 12.926 3.496 1.00 10.00 C ATOM 1153 O TYR A 74 -4.714 13.415 4.169 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.225 10.975 1.993 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.183 10.496 0.926 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -6.570 10.567 1.160 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -4.702 9.911 -0.258 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -7.472 10.057 0.212 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -5.607 9.338 -1.165 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.990 9.497 -0.983 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.853 8.926 -1.863 1.00 10.00 O ATOM 0 H TYR A 74 -2.590 12.182 0.605 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.988 12.971 1.711 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.247 10.527 1.816 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.569 10.616 2.963 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -6.941 11.015 2.070 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -3.643 9.902 -0.469 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -8.535 10.095 0.401 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -5.238 8.772 -2.007 1.00 10.00 H new ATOM 0 HH TYR A 74 -7.689 9.283 -2.761 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.585 12.702 3.972 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.193 13.035 5.328 1.00 10.00 C ATOM 1173 C ILE A 75 -0.673 13.253 5.361 1.00 10.00 C ATOM 1174 O ILE A 75 0.086 12.299 5.192 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.723 11.976 6.314 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.168 12.220 7.728 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.493 10.522 5.874 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -3.246 11.959 8.780 1.00 10.00 C ATOM 0 H ILE A 75 -1.838 12.282 3.419 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.646 13.970 5.658 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.805 12.103 6.323 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -1.312 11.569 7.906 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -1.810 13.246 7.812 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.897 9.846 6.627 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.994 10.346 4.922 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.424 10.341 5.760 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -2.835 12.137 9.774 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -4.089 12.629 8.611 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -3.583 10.925 8.706 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.194 14.497 5.523 1.00 10.00 N ATOM 1191 CA PRO A 76 1.228 14.802 5.483 1.00 10.00 C ATOM 1192 C PRO A 76 1.917 14.406 6.801 1.00 10.00 C ATOM 1193 O PRO A 76 2.356 15.260 7.565 1.00 10.00 O ATOM 1194 CB PRO A 76 1.303 16.300 5.162 1.00 10.00 C ATOM 1195 CG PRO A 76 0.010 16.864 5.752 1.00 10.00 C ATOM 1196 CD PRO A 76 -0.987 15.717 5.592 1.00 10.00 C ATOM 0 HA PRO A 76 1.767 14.231 4.727 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.182 16.762 5.611 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.363 16.477 4.088 1.00 10.00 H new ATOM 0 HG2 PRO A 76 0.135 17.144 6.798 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.317 17.757 5.220 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.680 15.684 6.432 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.585 15.844 4.690 1.00 10.00 H new ATOM 1204 N GLY A 77 2.039 13.097 7.045 1.00 10.00 N ATOM 1205 CA GLY A 77 2.786 12.530 8.167 1.00 10.00 C ATOM 1206 C GLY A 77 2.661 11.009 8.125 1.00 10.00 C ATOM 1207 O GLY A 77 2.003 10.409 8.969 1.00 10.00 O ATOM 0 H GLY A 77 1.610 12.387 6.452 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.834 12.824 8.109 1.00 10.00 H new ATOM 0 HA3 GLY A 77 2.399 12.914 9.111 1.00 10.00 H new ATOM 1211 N THR A 78 3.255 10.390 7.101 1.00 10.00 N ATOM 1212 CA THR A 78 3.101 8.971 6.806 1.00 10.00 C ATOM 1213 C THR A 78 4.453 8.284 6.762 1.00 10.00 C ATOM 1214 O THR A 78 4.700 7.329 7.498 1.00 10.00 O ATOM 1215 CB THR A 78 2.404 8.830 5.448 1.00 10.00 C ATOM 1216 OG1 THR A 78 3.031 9.671 4.491 1.00 10.00 O ATOM 1217 CG2 THR A 78 0.931 9.187 5.588 1.00 10.00 C ATOM 0 H THR A 78 3.867 10.874 6.444 1.00 10.00 H new ATOM 0 HA THR A 78 2.506 8.500 7.588 1.00 10.00 H new ATOM 0 HB THR A 78 2.484 7.798 5.107 1.00 10.00 H new ATOM 0 HG1 THR A 78 2.581 9.574 3.626 1.00 10.00 H new ATOM 0 HG21 THR A 78 0.439 9.086 4.621 1.00 10.00 H new ATOM 0 HG22 THR A 78 0.461 8.516 6.307 1.00 10.00 H new ATOM 0 HG23 THR A 78 0.837 10.215 5.937 1.00 10.00 H new ATOM 1225 N LYS A 79 5.268 8.714 5.805 1.00 10.00 N ATOM 1226 CA LYS A 79 6.599 8.216 5.510 1.00 10.00 C ATOM 1227 C LYS A 79 7.179 9.040 4.359 1.00 10.00 C ATOM 1228 O LYS A 79 8.317 9.476 4.464 1.00 10.00 O ATOM 1229 CB LYS A 79 6.597 6.701 5.231 1.00 10.00 C ATOM 1230 CG LYS A 79 5.705 6.266 4.060 1.00 10.00 C ATOM 1231 CD LYS A 79 5.119 4.862 4.266 1.00 10.00 C ATOM 1232 CE LYS A 79 3.805 4.887 5.071 1.00 10.00 C ATOM 1233 NZ LYS A 79 4.000 4.907 6.539 1.00 10.00 N ATOM 0 H LYS A 79 4.995 9.469 5.176 1.00 10.00 H new ATOM 0 HA LYS A 79 7.242 8.337 6.381 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.619 6.381 5.030 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.271 6.180 6.131 1.00 10.00 H new ATOM 0 HG2 LYS A 79 4.893 6.983 3.939 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.285 6.284 3.138 1.00 10.00 H new ATOM 0 HD2 LYS A 79 4.939 4.400 3.295 1.00 10.00 H new ATOM 0 HD3 LYS A 79 5.848 4.239 4.785 1.00 10.00 H new ATOM 0 HE2 LYS A 79 3.228 5.765 4.779 1.00 10.00 H new ATOM 0 HE3 LYS A 79 3.211 4.013 4.805 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 3.274 4.317 6.994 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 4.943 4.534 6.769 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 3.920 5.884 6.887 1.00 10.00 H new ATOM 1247 N MET A 80 6.362 9.278 3.315 1.00 10.00 N ATOM 1248 CA MET A 80 6.682 10.051 2.115 1.00 10.00 C ATOM 1249 C MET A 80 7.845 9.419 1.352 1.00 10.00 C ATOM 1250 O MET A 80 8.972 9.456 1.834 1.00 10.00 O ATOM 1251 CB MET A 80 6.967 11.520 2.471 1.00 10.00 C ATOM 1252 CG MET A 80 7.358 12.381 1.256 1.00 10.00 C ATOM 1253 SD MET A 80 8.942 13.246 1.431 1.00 10.00 S ATOM 1254 CE MET A 80 8.975 14.175 -0.116 1.00 10.00 C ATOM 0 H MET A 80 5.410 8.913 3.292 1.00 10.00 H new ATOM 0 HA MET A 80 5.814 10.036 1.456 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.083 11.950 2.942 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.770 11.558 3.207 1.00 10.00 H new ATOM 0 HG2 MET A 80 7.401 11.743 0.373 1.00 10.00 H new ATOM 0 HG3 MET A 80 6.573 13.117 1.080 1.00 10.00 H new ATOM 0 HE1 MET A 80 9.891 14.764 -0.167 1.00 10.00 H new ATOM 0 HE2 MET A 80 8.942 13.482 -0.957 1.00 10.00 H new ATOM 0 HE3 MET A 80 8.113 14.840 -0.159 1.00 10.00 H new ATOM 1264 N ILE A 81 7.583 8.869 0.153 1.00 10.00 N ATOM 1265 CA ILE A 81 8.646 8.261 -0.644 1.00 10.00 C ATOM 1266 C ILE A 81 8.946 8.903 -1.991 1.00 10.00 C ATOM 1267 O ILE A 81 10.113 9.050 -2.348 1.00 10.00 O ATOM 1268 CB ILE A 81 8.530 6.721 -0.728 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.131 6.284 -1.200 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.920 6.069 0.606 1.00 10.00 C ATOM 1271 CD1 ILE A 81 7.040 4.784 -1.506 1.00 10.00 C ATOM 0 H ILE A 81 6.657 8.836 -0.274 1.00 10.00 H new ATOM 0 HA ILE A 81 9.539 8.494 -0.063 1.00 10.00 H new ATOM 0 HB ILE A 81 9.237 6.371 -1.480 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.400 6.537 -0.432 1.00 10.00 H new ATOM 0 HG13 ILE A 81 6.863 6.848 -2.094 1.00 10.00 H new ATOM 0 HG21 ILE A 81 8.830 4.986 0.522 1.00 10.00 H new ATOM 0 HG22 ILE A 81 9.950 6.330 0.851 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.257 6.428 1.394 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.029 4.540 -1.834 1.00 10.00 H new ATOM 0 HD12 ILE A 81 7.748 4.530 -2.295 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.278 4.214 -0.608 1.00 10.00 H new ATOM 1283 N PHE A 82 7.932 9.287 -2.754 1.00 10.00 N ATOM 1284 CA PHE A 82 8.134 9.878 -4.063 1.00 10.00 C ATOM 1285 C PHE A 82 6.804 10.479 -4.498 1.00 10.00 C ATOM 1286 O PHE A 82 5.831 10.423 -3.745 1.00 10.00 O ATOM 1287 CB PHE A 82 8.713 8.837 -5.046 1.00 10.00 C ATOM 1288 CG PHE A 82 8.126 7.434 -4.980 1.00 10.00 C ATOM 1289 CD1 PHE A 82 6.776 7.212 -5.307 1.00 10.00 C ATOM 1290 CD2 PHE A 82 8.952 6.334 -4.670 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.262 5.905 -5.360 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.443 5.025 -4.741 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.098 4.809 -5.090 1.00 10.00 C ATOM 0 H PHE A 82 6.953 9.197 -2.482 1.00 10.00 H new ATOM 0 HA PHE A 82 8.875 10.677 -4.040 1.00 10.00 H new ATOM 0 HB2 PHE A 82 8.579 9.215 -6.060 1.00 10.00 H new ATOM 0 HB3 PHE A 82 9.787 8.765 -4.872 1.00 10.00 H new ATOM 0 HD1 PHE A 82 6.130 8.051 -5.519 1.00 10.00 H new ATOM 0 HD2 PHE A 82 9.979 6.497 -4.377 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.224 5.743 -5.609 1.00 10.00 H new ATOM 0 HE2 PHE A 82 9.086 4.184 -4.527 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.709 3.803 -5.150 1.00 10.00 H new ATOM 1303 N ALA A 83 6.764 11.076 -5.691 1.00 10.00 N ATOM 1304 CA ALA A 83 5.535 11.605 -6.259 1.00 10.00 C ATOM 1305 C ALA A 83 4.527 10.475 -6.466 1.00 10.00 C ATOM 1306 O ALA A 83 3.452 10.484 -5.874 1.00 10.00 O ATOM 1307 CB ALA A 83 5.848 12.320 -7.575 1.00 10.00 C ATOM 0 H ALA A 83 7.584 11.203 -6.285 1.00 10.00 H new ATOM 0 HA ALA A 83 5.092 12.327 -5.573 1.00 10.00 H new ATOM 0 HB1 ALA A 83 4.927 12.717 -8.001 1.00 10.00 H new ATOM 0 HB2 ALA A 83 6.543 13.138 -7.388 1.00 10.00 H new ATOM 0 HB3 ALA A 83 6.297 11.615 -8.274 1.00 10.00 H new ATOM 1313 N GLY A 84 4.895 9.499 -7.299 1.00 10.00 N ATOM 1314 CA GLY A 84 4.068 8.348 -7.589 1.00 10.00 C ATOM 1315 C GLY A 84 4.885 7.286 -8.303 1.00 10.00 C ATOM 1316 O GLY A 84 6.074 7.488 -8.539 1.00 10.00 O ATOM 0 H GLY A 84 5.788 9.495 -7.792 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.659 7.942 -6.664 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.222 8.645 -8.209 1.00 10.00 H new ATOM 1320 N ILE A 85 4.235 6.165 -8.630 1.00 10.00 N ATOM 1321 CA ILE A 85 4.831 5.031 -9.323 1.00 10.00 C ATOM 1322 C ILE A 85 5.489 5.495 -10.622 1.00 10.00 C ATOM 1323 O ILE A 85 6.708 5.653 -10.681 1.00 10.00 O ATOM 1324 CB ILE A 85 3.751 3.941 -9.514 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.564 3.155 -8.230 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.952 2.951 -10.676 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.810 2.361 -7.875 1.00 10.00 C ATOM 0 H ILE A 85 3.249 6.023 -8.411 1.00 10.00 H new ATOM 0 HA ILE A 85 5.632 4.585 -8.734 1.00 10.00 H new ATOM 0 HB ILE A 85 2.864 4.514 -9.784 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.323 3.839 -7.416 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.718 2.477 -8.338 1.00 10.00 H new ATOM 0 HG21 ILE A 85 3.125 2.241 -10.697 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.985 3.498 -11.618 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.889 2.412 -10.537 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.639 1.811 -6.950 1.00 10.00 H new ATOM 0 HD12 ILE A 85 5.036 1.660 -8.678 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.650 3.043 -7.742 1.00 10.00 H new ATOM 1339 N LYS A 86 4.684 5.667 -11.670 1.00 10.00 N ATOM 1340 CA LYS A 86 5.107 6.189 -12.960 1.00 10.00 C ATOM 1341 C LYS A 86 4.014 7.079 -13.549 1.00 10.00 C ATOM 1342 O LYS A 86 4.288 8.195 -13.979 1.00 10.00 O ATOM 1343 CB LYS A 86 5.440 5.051 -13.936 1.00 10.00 C ATOM 1344 CG LYS A 86 6.271 3.922 -13.312 1.00 10.00 C ATOM 1345 CD LYS A 86 7.122 3.212 -14.366 1.00 10.00 C ATOM 1346 CE LYS A 86 8.620 3.496 -14.192 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.939 4.937 -14.257 1.00 10.00 N ATOM 0 H LYS A 86 3.690 5.439 -11.639 1.00 10.00 H new ATOM 0 HA LYS A 86 6.010 6.780 -12.807 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.511 4.634 -14.323 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.984 5.462 -14.787 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.917 4.330 -12.534 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.608 3.202 -12.831 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.949 2.138 -14.306 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.807 3.531 -15.360 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.952 3.098 -13.233 1.00 10.00 H new ATOM 0 HE3 LYS A 86 9.178 2.969 -14.966 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.970 5.062 -14.304 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.501 5.352 -15.104 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.571 5.413 -13.409 1.00 10.00 H new ATOM 1361 N LYS A 87 2.790 6.547 -13.611 1.00 10.00 N ATOM 1362 CA LYS A 87 1.633 7.168 -14.228 1.00 10.00 C ATOM 1363 C LYS A 87 0.400 6.357 -13.808 1.00 10.00 C ATOM 1364 O LYS A 87 0.314 5.928 -12.659 1.00 10.00 O ATOM 1365 CB LYS A 87 1.853 7.263 -15.752 1.00 10.00 C ATOM 1366 CG LYS A 87 2.224 5.923 -16.412 1.00 10.00 C ATOM 1367 CD LYS A 87 2.571 6.088 -17.895 1.00 10.00 C ATOM 1368 CE LYS A 87 3.817 6.972 -18.079 1.00 10.00 C ATOM 1369 NZ LYS A 87 4.598 6.585 -19.272 1.00 10.00 N ATOM 0 H LYS A 87 2.578 5.632 -13.213 1.00 10.00 H new ATOM 0 HA LYS A 87 1.476 8.195 -13.897 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.945 7.647 -16.217 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.644 7.986 -15.951 1.00 10.00 H new ATOM 0 HG2 LYS A 87 3.073 5.484 -15.888 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.392 5.226 -16.310 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.747 5.109 -18.341 1.00 10.00 H new ATOM 0 HD3 LYS A 87 1.726 6.531 -18.422 1.00 10.00 H new ATOM 0 HE2 LYS A 87 3.512 8.015 -18.168 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.448 6.899 -17.193 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 5.428 7.205 -19.359 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 4.911 5.598 -19.177 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 4.005 6.679 -20.121 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.515 6.096 -14.743 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.730 5.326 -14.521 1.00 10.00 C ATOM 1385 C LYS A 88 -1.456 3.837 -14.743 1.00 10.00 C ATOM 1386 O LYS A 88 -1.788 3.027 -13.885 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.895 5.890 -15.365 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.666 5.877 -16.889 1.00 10.00 C ATOM 1389 CD LYS A 88 -3.480 6.939 -17.658 1.00 10.00 C ATOM 1390 CE LYS A 88 -4.823 6.457 -18.242 1.00 10.00 C ATOM 1391 NZ LYS A 88 -6.000 6.913 -17.472 1.00 10.00 N ATOM 0 H LYS A 88 -0.424 6.427 -15.704 1.00 10.00 H new ATOM 0 HA LYS A 88 -2.050 5.423 -13.483 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.794 5.315 -15.144 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -3.087 6.916 -15.051 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -1.606 6.034 -17.088 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -2.920 4.890 -17.275 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -3.676 7.776 -16.988 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -2.866 7.321 -18.474 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -4.911 6.811 -19.269 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -4.823 5.368 -18.280 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -6.868 6.554 -17.919 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -5.938 6.554 -16.498 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -6.023 7.953 -17.457 1.00 10.00 H new ATOM 1405 N THR A 89 -0.825 3.490 -15.871 1.00 10.00 N ATOM 1406 CA THR A 89 -0.673 2.128 -16.358 1.00 10.00 C ATOM 1407 C THR A 89 -0.039 1.250 -15.287 1.00 10.00 C ATOM 1408 O THR A 89 -0.725 0.440 -14.670 1.00 10.00 O ATOM 1409 CB THR A 89 0.142 2.176 -17.662 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.422 3.173 -18.497 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.165 0.822 -18.375 1.00 10.00 C ATOM 0 H THR A 89 -0.394 4.180 -16.486 1.00 10.00 H new ATOM 0 HA THR A 89 -1.641 1.678 -16.577 1.00 10.00 H new ATOM 0 HB THR A 89 1.179 2.417 -17.426 1.00 10.00 H new ATOM 0 HG1 THR A 89 0.084 3.222 -19.335 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.751 0.903 -19.290 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.614 0.074 -17.721 1.00 10.00 H new ATOM 0 HG23 THR A 89 -0.854 0.524 -18.622 1.00 10.00 H new ATOM 1419 N GLU A 90 1.247 1.462 -15.012 1.00 10.00 N ATOM 1420 CA GLU A 90 1.961 0.717 -14.003 1.00 10.00 C ATOM 1421 C GLU A 90 1.226 0.652 -12.670 1.00 10.00 C ATOM 1422 O GLU A 90 1.098 -0.418 -12.089 1.00 10.00 O ATOM 1423 CB GLU A 90 3.296 1.412 -13.791 1.00 10.00 C ATOM 1424 CG GLU A 90 4.316 0.942 -14.838 1.00 10.00 C ATOM 1425 CD GLU A 90 4.370 1.851 -16.060 1.00 10.00 C ATOM 1426 OE1 GLU A 90 3.380 2.592 -16.280 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.426 1.825 -16.726 1.00 10.00 O ATOM 0 H GLU A 90 1.816 2.160 -15.490 1.00 10.00 H new ATOM 0 HA GLU A 90 2.070 -0.310 -14.351 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.166 2.492 -13.860 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.669 1.199 -12.789 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.304 0.897 -14.381 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.065 -0.070 -15.155 1.00 10.00 H new ATOM 1434 N ARG A 91 0.797 1.803 -12.154 1.00 10.00 N ATOM 1435 CA ARG A 91 0.093 1.884 -10.881 1.00 10.00 C ATOM 1436 C ARG A 91 -1.144 0.965 -10.908 1.00 10.00 C ATOM 1437 O ARG A 91 -1.446 0.275 -9.934 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.250 3.362 -10.625 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.204 3.592 -9.442 1.00 10.00 C ATOM 1440 CD ARG A 91 -2.563 4.118 -9.932 1.00 10.00 C ATOM 1441 NE ARG A 91 -2.616 5.601 -9.892 1.00 10.00 N ATOM 1442 CZ ARG A 91 -3.262 6.390 -10.768 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -4.127 5.835 -11.628 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -3.069 7.719 -10.794 1.00 10.00 N ATOM 0 H ARG A 91 0.930 2.706 -12.610 1.00 10.00 H new ATOM 0 HA ARG A 91 0.711 1.532 -10.055 1.00 10.00 H new ATOM 0 HB2 ARG A 91 0.674 3.912 -10.444 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -0.699 3.780 -11.526 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.345 2.659 -8.896 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.762 4.305 -8.746 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -2.743 3.773 -10.950 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -3.359 3.707 -9.311 1.00 10.00 H new ATOM 0 HE ARG A 91 -2.117 6.063 -9.131 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -4.287 4.828 -11.612 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -4.625 6.420 -12.299 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -2.419 8.153 -10.138 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -3.572 8.294 -11.469 1.00 10.00 H new ATOM 1458 N GLU A 92 -1.862 0.947 -12.030 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.081 0.175 -12.191 1.00 10.00 C ATOM 1460 C GLU A 92 -2.761 -1.323 -12.304 1.00 10.00 C ATOM 1461 O GLU A 92 -3.379 -2.153 -11.631 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.848 0.753 -13.386 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.121 -0.042 -13.659 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.148 0.699 -14.504 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -5.967 1.918 -14.728 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -7.099 0.002 -14.917 1.00 10.00 O ATOM 0 H GLU A 92 -1.605 1.478 -12.862 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.727 0.253 -11.316 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -4.101 1.795 -13.190 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.211 0.741 -14.271 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -4.855 -0.972 -14.162 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.578 -0.314 -12.707 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.766 -1.673 -13.124 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.200 -3.019 -13.186 1.00 10.00 C ATOM 1475 C ASP A 93 -0.870 -3.487 -11.763 1.00 10.00 C ATOM 1476 O ASP A 93 -1.252 -4.578 -11.339 1.00 10.00 O ATOM 1477 CB ASP A 93 0.039 -3.039 -14.097 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.252 -2.714 -15.559 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.368 -3.049 -16.014 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.658 -2.152 -16.205 1.00 10.00 O ATOM 0 H ASP A 93 -1.327 -1.019 -13.771 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.925 -3.709 -13.618 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.767 -2.323 -13.716 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.501 -4.025 -14.041 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.213 -2.615 -10.996 1.00 10.00 N ATOM 1486 CA LEU A 94 0.085 -2.829 -9.589 1.00 10.00 C ATOM 1487 C LEU A 94 -1.165 -3.288 -8.833 1.00 10.00 C ATOM 1488 O LEU A 94 -1.154 -4.381 -8.265 1.00 10.00 O ATOM 1489 CB LEU A 94 0.715 -1.567 -8.969 1.00 10.00 C ATOM 1490 CG LEU A 94 2.005 -1.881 -8.211 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.769 -0.602 -7.886 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.707 -2.639 -6.932 1.00 10.00 C ATOM 0 H LEU A 94 0.132 -1.722 -11.349 1.00 10.00 H new ATOM 0 HA LEU A 94 0.820 -3.629 -9.503 1.00 10.00 H new ATOM 0 HB2 LEU A 94 0.925 -0.843 -9.756 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.000 -1.102 -8.290 1.00 10.00 H new ATOM 0 HG LEU A 94 2.624 -2.506 -8.855 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.683 -0.851 -7.347 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.023 -0.085 -8.811 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.148 0.046 -7.267 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.640 -2.852 -6.409 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.062 -2.035 -6.293 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.204 -3.576 -7.173 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.242 -2.487 -8.841 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.508 -2.872 -8.223 1.00 10.00 C ATOM 1506 C ILE A 95 -3.939 -4.269 -8.656 1.00 10.00 C ATOM 1507 O ILE A 95 -4.334 -5.069 -7.810 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.617 -1.826 -8.490 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.657 -0.800 -7.357 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -6.027 -2.436 -8.617 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.625 0.305 -7.518 1.00 10.00 C ATOM 0 H ILE A 95 -2.255 -1.563 -9.274 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.346 -2.900 -7.146 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.360 -1.366 -9.444 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.652 -0.356 -7.311 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.491 -1.309 -6.408 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.751 -1.643 -8.803 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -6.044 -3.145 -9.445 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.285 -2.953 -7.692 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.704 1.001 -6.683 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.626 -0.130 -7.535 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.805 0.837 -8.452 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.907 -4.558 -9.958 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.361 -5.850 -10.454 1.00 10.00 C ATOM 1525 C ALA A 96 -3.628 -7.007 -9.782 1.00 10.00 C ATOM 1526 O ALA A 96 -4.275 -7.950 -9.326 1.00 10.00 O ATOM 1527 CB ALA A 96 -4.216 -5.931 -11.963 1.00 10.00 C ATOM 0 H ALA A 96 -3.574 -3.918 -10.679 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.417 -5.940 -10.201 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.561 -6.905 -12.310 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.813 -5.147 -12.429 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -3.169 -5.799 -12.235 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.296 -6.937 -9.704 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.561 -7.919 -8.918 1.00 10.00 C ATOM 1535 C TYR A 97 -2.061 -7.908 -7.485 1.00 10.00 C ATOM 1536 O TYR A 97 -2.529 -8.927 -6.980 1.00 10.00 O ATOM 1537 CB TYR A 97 -0.061 -7.640 -8.926 1.00 10.00 C ATOM 1538 CG TYR A 97 0.721 -8.447 -7.911 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.797 -9.845 -8.046 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.355 -7.812 -6.825 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.571 -10.595 -7.145 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.127 -8.566 -5.925 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.271 -9.952 -6.112 1.00 10.00 C ATOM 1544 OH TYR A 97 3.061 -10.688 -5.282 1.00 10.00 O ATOM 0 H TYR A 97 -1.722 -6.230 -10.163 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.730 -8.897 -9.370 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.332 -7.849 -9.921 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.102 -6.579 -8.735 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.261 -10.341 -8.841 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.248 -6.747 -6.684 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.628 -11.669 -7.247 1.00 10.00 H new ATOM 0 HE2 TYR A 97 2.610 -8.081 -5.090 1.00 10.00 H new ATOM 0 HH TYR A 97 3.479 -10.098 -4.620 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.914 -6.751 -6.840 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.199 -6.560 -5.430 1.00 10.00 C ATOM 1556 C LEU A 98 -3.520 -7.222 -5.021 1.00 10.00 C ATOM 1557 O LEU A 98 -3.543 -7.961 -4.038 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.104 -5.066 -5.072 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.015 -4.773 -4.021 1.00 10.00 C ATOM 1560 CD1 LEU A 98 0.048 -3.836 -4.574 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.614 -4.127 -2.780 1.00 10.00 C ATOM 0 H LEU A 98 -1.585 -5.903 -7.301 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.441 -7.071 -4.837 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.895 -4.493 -5.975 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.068 -4.725 -4.695 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.563 -5.731 -3.762 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.802 -3.649 -3.809 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.520 -4.294 -5.444 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.414 -2.893 -4.866 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.824 -3.931 -2.055 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.096 -3.189 -3.055 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.352 -4.798 -2.340 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.590 -7.018 -5.802 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.865 -7.701 -5.667 1.00 10.00 C ATOM 1575 C LYS A 99 -5.724 -9.188 -5.325 1.00 10.00 C ATOM 1576 O LYS A 99 -6.341 -9.674 -4.379 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.687 -7.533 -6.966 1.00 10.00 C ATOM 1578 CG LYS A 99 -8.021 -6.839 -6.676 1.00 10.00 C ATOM 1579 CD LYS A 99 -9.164 -7.286 -7.601 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.274 -6.366 -8.825 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.149 -6.934 -9.871 1.00 10.00 N ATOM 0 H LYS A 99 -4.581 -6.347 -6.570 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.383 -7.238 -4.827 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.118 -6.950 -7.690 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -6.869 -8.509 -7.416 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -8.305 -7.034 -5.642 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -7.888 -5.761 -6.772 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.992 -8.312 -7.927 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -10.105 -7.279 -7.051 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.663 -5.396 -8.515 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -8.280 -6.193 -9.239 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -10.194 -6.280 -10.678 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -9.765 -7.848 -10.187 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -11.105 -7.075 -9.485 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.958 -9.921 -6.132 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.763 -11.352 -5.950 1.00 10.00 C ATOM 1597 C LYS A 100 -3.757 -11.577 -4.826 1.00 10.00 C ATOM 1598 O LYS A 100 -3.994 -12.353 -3.908 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.263 -11.980 -7.252 1.00 10.00 C ATOM 1600 CG LYS A 100 -5.225 -11.778 -8.430 1.00 10.00 C ATOM 1601 CD LYS A 100 -6.161 -12.970 -8.709 1.00 10.00 C ATOM 1602 CE LYS A 100 -7.480 -12.910 -7.921 1.00 10.00 C ATOM 1603 NZ LYS A 100 -8.282 -14.142 -8.087 1.00 10.00 N ATOM 0 H LYS A 100 -4.456 -9.535 -6.931 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.709 -11.824 -5.684 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -3.294 -11.551 -7.506 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -4.108 -13.048 -7.097 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -5.833 -10.894 -8.238 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.641 -11.574 -9.328 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -6.385 -13.004 -9.775 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.641 -13.896 -8.462 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -7.264 -12.758 -6.864 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -8.062 -12.051 -8.254 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -9.162 -14.060 -7.539 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -8.511 -14.274 -9.093 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -7.737 -14.959 -7.746 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.635 -10.871 -4.924 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.463 -11.066 -4.086 1.00 10.00 C ATOM 1619 C ALA A 101 -1.820 -11.006 -2.606 1.00 10.00 C ATOM 1620 O ALA A 101 -1.468 -11.867 -1.817 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.453 -9.976 -4.420 1.00 10.00 C ATOM 0 H ALA A 101 -2.515 -10.126 -5.610 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.044 -12.053 -4.281 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.436 -10.102 -3.802 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.177 -10.046 -5.472 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.894 -8.999 -4.225 1.00 10.00 H new ATOM 1627 N THR A 102 -2.533 -9.953 -2.223 1.00 10.00 N ATOM 1628 CA THR A 102 -2.933 -9.767 -0.839 1.00 10.00 C ATOM 1629 C THR A 102 -3.825 -10.912 -0.363 1.00 10.00 C ATOM 1630 O THR A 102 -3.748 -11.316 0.799 1.00 10.00 O ATOM 1631 CB THR A 102 -3.638 -8.429 -0.719 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.726 -8.382 -1.618 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.648 -7.298 -1.002 1.00 10.00 C ATOM 0 H THR A 102 -2.845 -9.216 -2.855 1.00 10.00 H new ATOM 0 HA THR A 102 -2.051 -9.772 -0.198 1.00 10.00 H new ATOM 0 HB THR A 102 -4.022 -8.306 0.294 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.408 -8.105 -2.502 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.157 -6.338 -0.915 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.831 -7.341 -0.282 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.250 -7.407 -2.011 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.679 -11.401 -1.269 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.553 -12.539 -1.047 1.00 10.00 C ATOM 1643 C ASN A 103 -4.697 -13.740 -0.643 1.00 10.00 C ATOM 1644 O ASN A 103 -4.870 -14.261 0.457 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.392 -12.803 -2.309 1.00 10.00 C ATOM 1646 CG ASN A 103 -7.749 -13.419 -2.001 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -7.843 -14.494 -1.425 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -8.825 -12.750 -2.410 1.00 10.00 N ATOM 0 H ASN A 103 -4.778 -10.998 -2.201 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.256 -12.341 -0.238 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -6.538 -11.865 -2.845 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -5.840 -13.467 -2.974 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.756 -13.132 -2.245 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -8.718 -11.855 -2.888 1.00 10.00 H new ATOM 1655 N GLU A 104 -3.740 -14.110 -1.503 1.00 10.00 N ATOM 1656 CA GLU A 104 -2.688 -15.077 -1.219 1.00 10.00 C ATOM 1657 C GLU A 104 -1.478 -14.752 -2.097 1.00 10.00 C ATOM 1658 O GLU A 104 -0.348 -14.838 -1.568 1.00 10.00 O ATOM 1659 CB GLU A 104 -3.142 -16.511 -1.524 1.00 10.00 C ATOM 1660 CG GLU A 104 -4.126 -17.084 -0.494 1.00 10.00 C ATOM 1661 CD GLU A 104 -4.233 -18.600 -0.608 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -3.186 -19.260 -0.428 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -5.359 -19.078 -0.867 1.00 10.00 O ATOM 1664 OXT GLU A 104 -1.712 -14.465 -3.295 1.00 10.00 O ATOM 0 H GLU A 104 -3.680 -13.727 -2.447 1.00 10.00 H new ATOM 0 HA GLU A 104 -2.439 -15.013 -0.160 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -3.609 -16.532 -2.509 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -2.265 -17.157 -1.573 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -3.800 -16.816 0.511 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -5.109 -16.637 -0.640 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.584 5.070 0.510 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.948 3.779 0.421 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.282 3.024 1.308 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.438 3.907 1.986 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.619 5.170 1.488 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.956 5.839 -0.047 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.101 6.076 1.803 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.746 3.635 2.783 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.688 3.395 -0.281 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.406 1.072 1.553 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.974 1.357 3.933 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.081 0.227 -0.782 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.853 1.091 -0.836 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.832 1.331 3.985 1.00 10.00 C HETATM 1686 NA HEC A 110 1.417 0.846 1.571 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.610 1.022 2.652 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.758 0.819 2.232 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.731 0.522 0.889 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.660 0.509 0.494 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.927 0.351 -0.031 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.983 1.115 3.064 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.213 0.246 4.316 1.00 10.00 C HETATM 1694 CGA HEC A 110 -2.726 1.109 5.480 1.00 10.00 C HETATM 1695 O1A HEC A 110 -1.995 2.081 5.786 1.00 10.00 O HETATM 1696 O2A HEC A 110 -3.859 0.862 5.968 1.00 10.00 O HETATM 1697 NB HEC A 110 3.460 0.736 -0.417 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.396 0.348 -1.171 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.876 0.046 -2.503 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.209 0.381 -2.536 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.570 0.782 -1.200 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.108 -0.628 -3.619 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.138 0.295 -3.732 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.560 0.977 -4.974 1.00 10.00 C HETATM 1705 NC HEC A 110 5.442 1.245 1.563 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.224 1.237 0.464 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.603 1.344 0.854 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.624 1.331 2.229 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.237 1.301 2.667 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.773 1.296 -0.108 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.856 1.278 3.116 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.025 2.208 2.755 1.00 10.00 C HETATM 1713 ND HEC A 110 3.403 1.335 3.566 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.509 1.393 4.357 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.068 1.590 5.721 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.697 1.661 5.692 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.285 1.430 4.331 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.932 1.712 6.957 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.785 1.964 6.853 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.224 0.699 7.498 1.00 10.00 C HETATM 1721 CGD HEC A 110 0.252 1.019 8.634 1.00 10.00 C HETATM 1722 O1D HEC A 110 0.383 2.124 9.211 1.00 10.00 O HETATM 1723 O2D HEC A 110 -0.603 0.152 8.924 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.522 0.803 7.080 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.600 2.567 6.851 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.298 1.854 7.832 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.770 0.343 -0.637 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.687 2.111 -0.827 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.705 1.400 0.447 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.798 -1.623 -3.298 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.227 -0.035 -3.864 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.745 -0.713 -4.500 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.553 -0.463 0.334 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.507 1.274 -0.050 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.581 0.120 -1.038 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 0.714 0.102 6.742 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 2.045 0.093 7.883 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.380 1.973 1.752 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.689 3.244 2.788 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.836 2.067 3.469 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.618 0.500 -5.246 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.384 2.032 -4.761 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.265 0.886 -5.800 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.934 -0.541 4.093 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -1.283 -0.245 4.601 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 2.332 2.538 7.601 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 0.961 2.590 6.511 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -1.932 2.157 3.381 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.858 1.020 2.422 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.593 1.304 4.765 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.603 1.225 -1.615 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.346 -0.105 -1.515 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.192 1.573 4.661 1.00 10.00 H new HETATM 0 H2D HEC A 110 -1.255 0.079 8.196 1.00 10.00 H new HETATM 0 H2A HEC A 110 -3.753 0.486 6.867 1.00 10.00 H new