USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=28 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= 2.16 K(o=6.6,f=-8.9!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 171:sc= 2.42 (180deg=-0.0706) USER MOD Set 1.3: A 67 TYR OH : rot -166:sc= 1 USER MOD Set 1.4: A 110 HEC O2A : rot -35:sc= 0.984 USER MOD Set 1.5: A 110 HEC O2D : rot -163:sc= 0.0423 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.358 K(o=1.2,f=-7.3) USER MOD Set 2.2: A 72 LYS NZ :NH3+ -172:sc= 0.834 (180deg=0) USER MOD Set 3.1: A 19 THR OG1 : rot -124:sc= 0.568 USER MOD Set 3.2: A 27 LYS NZ :NH3+ 171:sc= 1.13 (180deg=0.00361) USER MOD Single : A 1 GLY N :NH3+ 165:sc= 1.32 (180deg=1.1) USER MOD Single : A 5 LYS NZ :NH3+ -158:sc= 1.1 (180deg=0.695) USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= 1.11 (180deg=-0.725) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.00691 X(o=-0.0069,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0.94) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=-0.055) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.55 K(o=0.55,f=-6.8!) USER MOD Single : A 33 HIS : no HE2:sc= -0.39 K(o=-0.39,f=-1.8) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 80:sc= 0.681 USER MOD Single : A 42 GLN : amide:sc= 0.847 K(o=0.85,f=-0.15) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 49:sc= 1.41 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 110:sc= 0.0384 USER MOD Single : A 65 MET CE :methyl -179:sc= 0 (180deg=-0.00211) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 105:sc= 0.0482 USER MOD Single : A 78 THR OG1 : rot 68:sc= 0.0187 USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= -0.824 (180deg=-1.94) USER MOD Single : A 80 MET CE :methyl 167:sc= 0 (180deg=-0.134) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -159:sc= 1.24 (180deg=1.04) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -84:sc= 1.2 USER MOD Single : A 103 ASN : amide:sc= -0.0411 K(o=-0.041,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.224 -3.616 -15.591 1.00 10.00 N ATOM 2 CA GLY A 1 -3.885 -3.718 -15.051 1.00 10.00 C ATOM 3 C GLY A 1 -3.345 -5.102 -15.391 1.00 10.00 C ATOM 4 O GLY A 1 -4.053 -6.090 -15.210 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.708 -2.799 -15.166 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.174 -3.491 -16.622 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.753 -4.484 -15.373 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.244 -2.944 -15.473 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.897 -3.568 -13.971 1.00 10.00 H new ATOM 10 N ASP A 2 -2.143 -5.150 -15.943 1.00 10.00 N ATOM 11 CA ASP A 2 -1.360 -6.358 -16.183 1.00 10.00 C ATOM 12 C ASP A 2 -0.926 -7.000 -14.855 1.00 10.00 C ATOM 13 O ASP A 2 -0.228 -6.375 -14.059 1.00 10.00 O ATOM 14 CB ASP A 2 -0.115 -5.982 -16.989 1.00 10.00 C ATOM 15 CG ASP A 2 0.649 -7.193 -17.500 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.855 -8.123 -16.690 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.062 -7.159 -18.676 1.00 10.00 O ATOM 0 H ASP A 2 -1.660 -4.306 -16.252 1.00 10.00 H new ATOM 0 HA ASP A 2 -1.971 -7.075 -16.731 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.410 -5.362 -17.835 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.546 -5.378 -16.367 1.00 10.00 H new ATOM 22 N VAL A 3 -1.303 -8.258 -14.621 1.00 10.00 N ATOM 23 CA VAL A 3 -0.900 -9.008 -13.436 1.00 10.00 C ATOM 24 C VAL A 3 0.600 -9.336 -13.460 1.00 10.00 C ATOM 25 O VAL A 3 1.256 -9.267 -12.420 1.00 10.00 O ATOM 26 CB VAL A 3 -1.761 -10.281 -13.320 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.311 -11.185 -12.163 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.235 -9.910 -13.107 1.00 10.00 C ATOM 0 H VAL A 3 -1.901 -8.787 -15.255 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.067 -8.391 -12.553 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.637 -10.829 -14.254 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.948 -12.068 -12.123 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.277 -11.490 -12.321 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.388 -10.639 -11.223 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.831 -10.819 -13.027 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.335 -9.328 -12.191 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.587 -9.319 -13.952 1.00 10.00 H new ATOM 38 N GLU A 4 1.157 -9.718 -14.613 1.00 10.00 N ATOM 39 CA GLU A 4 2.564 -10.074 -14.700 1.00 10.00 C ATOM 40 C GLU A 4 3.403 -8.833 -14.459 1.00 10.00 C ATOM 41 O GLU A 4 4.280 -8.828 -13.592 1.00 10.00 O ATOM 42 CB GLU A 4 2.910 -10.671 -16.071 1.00 10.00 C ATOM 43 CG GLU A 4 2.855 -12.206 -16.049 1.00 10.00 C ATOM 44 CD GLU A 4 3.830 -12.830 -15.051 1.00 10.00 C ATOM 45 OE1 GLU A 4 5.034 -12.495 -15.082 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.349 -13.610 -14.198 1.00 10.00 O ATOM 0 H GLU A 4 0.650 -9.787 -15.495 1.00 10.00 H new ATOM 0 HA GLU A 4 2.776 -10.830 -13.944 1.00 10.00 H new ATOM 0 HB2 GLU A 4 2.214 -10.292 -16.820 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.907 -10.346 -16.369 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.841 -12.523 -15.803 1.00 10.00 H new ATOM 0 HG3 GLU A 4 3.075 -12.585 -17.047 1.00 10.00 H new ATOM 53 N LYS A 5 3.133 -7.770 -15.217 1.00 10.00 N ATOM 54 CA LYS A 5 3.843 -6.537 -14.968 1.00 10.00 C ATOM 55 C LYS A 5 3.612 -6.113 -13.527 1.00 10.00 C ATOM 56 O LYS A 5 4.587 -5.879 -12.828 1.00 10.00 O ATOM 57 CB LYS A 5 3.566 -5.431 -15.973 1.00 10.00 C ATOM 58 CG LYS A 5 4.268 -5.648 -17.320 1.00 10.00 C ATOM 59 CD LYS A 5 4.842 -4.312 -17.816 1.00 10.00 C ATOM 60 CE LYS A 5 6.129 -3.943 -17.049 1.00 10.00 C ATOM 61 NZ LYS A 5 6.441 -2.500 -17.119 1.00 10.00 N ATOM 0 H LYS A 5 2.454 -7.744 -15.977 1.00 10.00 H new ATOM 0 HA LYS A 5 4.905 -6.734 -15.115 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.491 -5.360 -16.138 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.887 -4.478 -15.553 1.00 10.00 H new ATOM 0 HG2 LYS A 5 5.066 -6.382 -17.213 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.564 -6.047 -18.050 1.00 10.00 H new ATOM 0 HD2 LYS A 5 5.057 -4.378 -18.883 1.00 10.00 H new ATOM 0 HD3 LYS A 5 4.100 -3.524 -17.688 1.00 10.00 H new ATOM 0 HE2 LYS A 5 6.022 -4.237 -16.005 1.00 10.00 H new ATOM 0 HE3 LYS A 5 6.965 -4.511 -17.456 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.454 -2.354 -16.932 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.209 -2.140 -18.067 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 5.880 -1.989 -16.408 1.00 10.00 H new ATOM 75 N GLY A 6 2.367 -6.094 -13.049 1.00 10.00 N ATOM 76 CA GLY A 6 2.055 -5.792 -11.660 1.00 10.00 C ATOM 77 C GLY A 6 2.944 -6.539 -10.659 1.00 10.00 C ATOM 78 O GLY A 6 3.455 -5.945 -9.706 1.00 10.00 O ATOM 0 H GLY A 6 1.546 -6.289 -13.621 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.159 -4.719 -11.497 1.00 10.00 H new ATOM 0 HA3 GLY A 6 1.012 -6.044 -11.467 1.00 10.00 H new ATOM 82 N LYS A 7 3.131 -7.845 -10.883 1.00 10.00 N ATOM 83 CA LYS A 7 3.930 -8.715 -10.048 1.00 10.00 C ATOM 84 C LYS A 7 5.336 -8.158 -9.990 1.00 10.00 C ATOM 85 O LYS A 7 5.906 -7.999 -8.913 1.00 10.00 O ATOM 86 CB LYS A 7 3.858 -10.144 -10.596 1.00 10.00 C ATOM 87 CG LYS A 7 4.577 -11.153 -9.697 1.00 10.00 C ATOM 88 CD LYS A 7 4.266 -12.591 -10.140 1.00 10.00 C ATOM 89 CE LYS A 7 5.034 -12.944 -11.420 1.00 10.00 C ATOM 90 NZ LYS A 7 4.575 -14.204 -12.037 1.00 10.00 N ATOM 0 H LYS A 7 2.713 -8.329 -11.678 1.00 10.00 H new ATOM 0 HA LYS A 7 3.554 -8.757 -9.026 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.813 -10.437 -10.702 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.300 -10.170 -11.592 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.652 -10.980 -9.735 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.267 -11.011 -8.662 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.535 -13.287 -9.346 1.00 10.00 H new ATOM 0 HD3 LYS A 7 3.195 -12.700 -10.311 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.924 -12.132 -12.139 1.00 10.00 H new ATOM 0 HE3 LYS A 7 6.096 -13.024 -11.190 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 5.364 -14.647 -12.550 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 4.237 -14.851 -11.296 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 3.800 -14.003 -12.701 1.00 10.00 H new ATOM 104 N LYS A 8 5.893 -7.842 -11.156 1.00 10.00 N ATOM 105 CA LYS A 8 7.234 -7.308 -11.198 1.00 10.00 C ATOM 106 C LYS A 8 7.284 -5.898 -10.599 1.00 10.00 C ATOM 107 O LYS A 8 8.184 -5.607 -9.823 1.00 10.00 O ATOM 108 CB LYS A 8 7.826 -7.409 -12.608 1.00 10.00 C ATOM 109 CG LYS A 8 8.445 -8.793 -12.875 1.00 10.00 C ATOM 110 CD LYS A 8 7.441 -9.950 -12.739 1.00 10.00 C ATOM 111 CE LYS A 8 8.002 -11.284 -13.251 1.00 10.00 C ATOM 112 NZ LYS A 8 9.077 -11.814 -12.386 1.00 10.00 N ATOM 0 H LYS A 8 5.440 -7.947 -12.064 1.00 10.00 H new ATOM 0 HA LYS A 8 7.878 -7.920 -10.566 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.046 -7.212 -13.344 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.588 -6.640 -12.738 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.868 -8.806 -13.880 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.269 -8.954 -12.180 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.157 -10.058 -11.692 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.534 -9.706 -13.292 1.00 10.00 H new ATOM 0 HE2 LYS A 8 7.195 -12.015 -13.312 1.00 10.00 H new ATOM 0 HE3 LYS A 8 8.387 -11.149 -14.262 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 9.422 -12.715 -12.774 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 9.860 -11.131 -12.348 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 8.706 -11.970 -11.427 1.00 10.00 H new ATOM 126 N ILE A 9 6.324 -5.027 -10.907 1.00 10.00 N ATOM 127 CA ILE A 9 6.265 -3.667 -10.409 1.00 10.00 C ATOM 128 C ILE A 9 6.341 -3.687 -8.887 1.00 10.00 C ATOM 129 O ILE A 9 7.232 -3.060 -8.325 1.00 10.00 O ATOM 130 CB ILE A 9 5.006 -2.961 -10.945 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.137 -2.726 -12.461 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.783 -1.614 -10.250 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.821 -2.263 -13.091 1.00 10.00 C ATOM 0 H ILE A 9 5.548 -5.261 -11.527 1.00 10.00 H new ATOM 0 HA ILE A 9 7.117 -3.090 -10.769 1.00 10.00 H new ATOM 0 HB ILE A 9 4.153 -3.607 -10.739 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.909 -1.979 -12.646 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.464 -3.648 -12.943 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.886 -1.142 -10.651 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.661 -1.773 -9.179 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.643 -0.968 -10.425 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.964 -2.111 -14.161 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.055 -3.021 -12.932 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.506 -1.327 -12.630 1.00 10.00 H new ATOM 145 N PHE A 10 5.457 -4.424 -8.213 1.00 10.00 N ATOM 146 CA PHE A 10 5.507 -4.538 -6.758 1.00 10.00 C ATOM 147 C PHE A 10 6.935 -4.854 -6.272 1.00 10.00 C ATOM 148 O PHE A 10 7.449 -4.221 -5.343 1.00 10.00 O ATOM 149 CB PHE A 10 4.497 -5.597 -6.307 1.00 10.00 C ATOM 150 CG PHE A 10 4.487 -5.824 -4.810 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.826 -4.915 -3.961 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.224 -6.887 -4.258 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.865 -5.097 -2.568 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.298 -7.044 -2.864 1.00 10.00 C ATOM 155 CZ PHE A 10 4.598 -6.164 -2.022 1.00 10.00 C ATOM 0 H PHE A 10 4.700 -4.949 -8.652 1.00 10.00 H new ATOM 0 HA PHE A 10 5.236 -3.583 -6.307 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.500 -5.296 -6.627 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.722 -6.539 -6.808 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.289 -4.077 -4.381 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.734 -7.584 -4.907 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.333 -4.418 -1.919 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.892 -7.840 -2.440 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.623 -6.308 -0.952 1.00 10.00 H new ATOM 165 N VAL A 11 7.589 -5.803 -6.949 1.00 10.00 N ATOM 166 CA VAL A 11 8.937 -6.271 -6.640 1.00 10.00 C ATOM 167 C VAL A 11 10.021 -5.253 -7.029 1.00 10.00 C ATOM 168 O VAL A 11 11.126 -5.280 -6.494 1.00 10.00 O ATOM 169 CB VAL A 11 9.167 -7.637 -7.310 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.579 -8.184 -7.060 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.160 -8.656 -6.771 1.00 10.00 C ATOM 0 H VAL A 11 7.179 -6.280 -7.752 1.00 10.00 H new ATOM 0 HA VAL A 11 9.019 -6.385 -5.559 1.00 10.00 H new ATOM 0 HB VAL A 11 9.040 -7.485 -8.382 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.688 -9.149 -7.554 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.315 -7.487 -7.459 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.738 -8.305 -5.988 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.328 -9.621 -7.249 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.287 -8.758 -5.693 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.147 -8.316 -6.986 1.00 10.00 H new ATOM 181 N GLN A 12 9.737 -4.370 -7.982 1.00 10.00 N ATOM 182 CA GLN A 12 10.674 -3.368 -8.472 1.00 10.00 C ATOM 183 C GLN A 12 10.457 -2.021 -7.779 1.00 10.00 C ATOM 184 O GLN A 12 11.303 -1.138 -7.888 1.00 10.00 O ATOM 185 CB GLN A 12 10.519 -3.262 -9.990 1.00 10.00 C ATOM 186 CG GLN A 12 10.927 -4.581 -10.671 1.00 10.00 C ATOM 187 CD GLN A 12 12.433 -4.689 -10.875 1.00 10.00 C ATOM 188 OE1 GLN A 12 12.950 -4.312 -11.921 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.151 -5.220 -9.888 1.00 10.00 N ATOM 0 H GLN A 12 8.829 -4.332 -8.444 1.00 10.00 H new ATOM 0 HA GLN A 12 11.695 -3.669 -8.238 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.485 -3.023 -10.239 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.135 -2.446 -10.368 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.584 -5.420 -10.066 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.426 -4.658 -11.636 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.692 -5.524 -9.030 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.161 -5.323 -9.990 1.00 10.00 H new ATOM 198 N LYS A 13 9.318 -1.850 -7.099 1.00 10.00 N ATOM 199 CA LYS A 13 8.925 -0.605 -6.464 1.00 10.00 C ATOM 200 C LYS A 13 8.941 -0.695 -4.936 1.00 10.00 C ATOM 201 O LYS A 13 9.497 0.194 -4.294 1.00 10.00 O ATOM 202 CB LYS A 13 7.532 -0.197 -6.955 1.00 10.00 C ATOM 203 CG LYS A 13 7.465 0.084 -8.463 1.00 10.00 C ATOM 204 CD LYS A 13 8.433 1.208 -8.858 1.00 10.00 C ATOM 205 CE LYS A 13 7.907 2.106 -9.991 1.00 10.00 C ATOM 206 NZ LYS A 13 8.012 3.534 -9.614 1.00 10.00 N ATOM 0 H LYS A 13 8.633 -2.596 -6.977 1.00 10.00 H new ATOM 0 HA LYS A 13 9.657 0.153 -6.744 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.824 -0.989 -6.711 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.213 0.694 -6.414 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.710 -0.823 -9.016 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.448 0.361 -8.740 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.637 1.824 -7.982 1.00 10.00 H new ATOM 0 HD3 LYS A 13 9.381 0.768 -9.166 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.476 1.922 -10.902 1.00 10.00 H new ATOM 0 HE3 LYS A 13 6.868 1.857 -10.208 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 7.406 4.103 -10.239 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 7.704 3.656 -8.628 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 8.999 3.847 -9.710 1.00 10.00 H new ATOM 220 N CYS A 14 8.280 -1.703 -4.352 1.00 10.00 N ATOM 221 CA CYS A 14 7.996 -1.732 -2.916 1.00 10.00 C ATOM 222 C CYS A 14 8.839 -2.813 -2.220 1.00 10.00 C ATOM 223 O CYS A 14 9.487 -2.538 -1.215 1.00 10.00 O ATOM 224 CB CYS A 14 6.509 -1.909 -2.648 1.00 10.00 C ATOM 225 SG CYS A 14 5.394 -1.350 -3.995 1.00 10.00 S ATOM 0 H CYS A 14 7.930 -2.515 -4.860 1.00 10.00 H new ATOM 0 HA CYS A 14 8.279 -0.769 -2.492 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.315 -2.964 -2.453 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.254 -1.365 -1.739 1.00 10.00 H new ATOM 230 N ALA A 15 8.804 -4.036 -2.761 1.00 10.00 N ATOM 231 CA ALA A 15 9.472 -5.266 -2.319 1.00 10.00 C ATOM 232 C ALA A 15 10.194 -5.269 -0.970 1.00 10.00 C ATOM 233 O ALA A 15 9.686 -5.857 -0.021 1.00 10.00 O ATOM 234 CB ALA A 15 10.394 -5.785 -3.423 1.00 10.00 C ATOM 0 H ALA A 15 8.253 -4.206 -3.602 1.00 10.00 H new ATOM 0 HA ALA A 15 8.635 -5.937 -2.128 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.886 -6.698 -3.087 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.808 -5.997 -4.317 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.147 -5.031 -3.653 1.00 10.00 H new ATOM 240 N GLN A 16 11.392 -4.684 -0.849 1.00 10.00 N ATOM 241 CA GLN A 16 12.103 -4.646 0.421 1.00 10.00 C ATOM 242 C GLN A 16 11.490 -3.567 1.322 1.00 10.00 C ATOM 243 O GLN A 16 12.174 -2.669 1.807 1.00 10.00 O ATOM 244 CB GLN A 16 13.615 -4.489 0.192 1.00 10.00 C ATOM 245 CG GLN A 16 14.285 -5.843 -0.089 1.00 10.00 C ATOM 246 CD GLN A 16 15.807 -5.733 -0.030 1.00 10.00 C ATOM 247 OE1 GLN A 16 16.437 -5.271 -0.973 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.415 -6.156 1.077 1.00 10.00 N ATOM 0 H GLN A 16 11.884 -4.232 -1.620 1.00 10.00 H new ATOM 0 HA GLN A 16 11.987 -5.593 0.948 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.789 -3.815 -0.646 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.071 -4.031 1.069 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.943 -6.578 0.639 1.00 10.00 H new ATOM 0 HG3 GLN A 16 13.982 -6.204 -1.072 1.00 10.00 H new ATOM 0 HE21 GLN A 16 15.865 -6.536 1.847 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.430 -6.099 1.155 1.00 10.00 H new ATOM 257 N CYS A 17 10.190 -3.712 1.583 1.00 10.00 N ATOM 258 CA CYS A 17 9.443 -3.005 2.597 1.00 10.00 C ATOM 259 C CYS A 17 8.129 -3.743 2.841 1.00 10.00 C ATOM 260 O CYS A 17 7.838 -4.080 3.987 1.00 10.00 O ATOM 261 CB CYS A 17 9.215 -1.554 2.252 1.00 10.00 C ATOM 262 SG CYS A 17 8.663 -0.775 3.795 1.00 10.00 S ATOM 0 H CYS A 17 9.608 -4.364 1.058 1.00 10.00 H new ATOM 0 HA CYS A 17 10.032 -2.992 3.514 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.129 -1.089 1.882 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.465 -1.449 1.468 1.00 10.00 H new ATOM 267 N HIS A 18 7.353 -4.018 1.782 1.00 10.00 N ATOM 268 CA HIS A 18 6.087 -4.734 1.905 1.00 10.00 C ATOM 269 C HIS A 18 6.272 -6.199 1.579 1.00 10.00 C ATOM 270 O HIS A 18 7.282 -6.640 1.042 1.00 10.00 O ATOM 271 CB HIS A 18 5.016 -4.139 0.983 1.00 10.00 C ATOM 272 CG HIS A 18 4.255 -3.012 1.613 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.315 -3.102 2.617 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.306 -1.719 1.204 1.00 10.00 C ATOM 275 CE1 HIS A 18 2.822 -1.863 2.812 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.397 -0.988 1.965 1.00 10.00 N ATOM 0 H HIS A 18 7.588 -3.750 0.826 1.00 10.00 H new ATOM 0 HA HIS A 18 5.753 -4.631 2.938 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.490 -3.782 0.069 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.317 -4.924 0.694 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.043 -3.948 3.118 1.00 10.00 H new ATOM 0 HD2 HIS A 18 4.941 -1.325 0.424 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.071 -1.608 3.545 1.00 10.00 H new ATOM 284 N THR A 19 5.227 -6.952 1.873 1.00 10.00 N ATOM 285 CA THR A 19 5.042 -8.273 1.350 1.00 10.00 C ATOM 286 C THR A 19 3.543 -8.417 1.105 1.00 10.00 C ATOM 287 O THR A 19 2.769 -7.612 1.626 1.00 10.00 O ATOM 288 CB THR A 19 5.616 -9.271 2.354 1.00 10.00 C ATOM 289 OG1 THR A 19 6.964 -8.998 2.667 1.00 10.00 O ATOM 290 CG2 THR A 19 5.589 -10.634 1.710 1.00 10.00 C ATOM 0 H THR A 19 4.477 -6.648 2.493 1.00 10.00 H new ATOM 0 HA THR A 19 5.562 -8.463 0.411 1.00 10.00 H new ATOM 0 HB THR A 19 5.022 -9.211 3.266 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.509 -9.791 2.484 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.994 -11.372 2.403 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.562 -10.897 1.459 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.192 -10.620 0.802 1.00 10.00 H new ATOM 298 N VAL A 20 3.158 -9.385 0.276 1.00 10.00 N ATOM 299 CA VAL A 20 1.781 -9.732 -0.020 1.00 10.00 C ATOM 300 C VAL A 20 1.721 -11.256 -0.173 1.00 10.00 C ATOM 301 O VAL A 20 1.348 -11.760 -1.226 1.00 10.00 O ATOM 302 CB VAL A 20 1.304 -8.966 -1.275 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.109 -7.475 -0.969 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.275 -9.084 -2.460 1.00 10.00 C ATOM 0 H VAL A 20 3.828 -9.969 -0.225 1.00 10.00 H new ATOM 0 HA VAL A 20 1.101 -9.439 0.780 1.00 10.00 H new ATOM 0 HB VAL A 20 0.358 -9.430 -1.554 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.773 -6.960 -1.869 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.361 -7.359 -0.184 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.054 -7.045 -0.636 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.883 -8.524 -3.309 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.246 -8.679 -2.176 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.386 -10.133 -2.736 1.00 10.00 H new ATOM 314 N GLU A 21 2.141 -11.992 0.864 1.00 10.00 N ATOM 315 CA GLU A 21 2.184 -13.454 0.834 1.00 10.00 C ATOM 316 C GLU A 21 2.047 -14.040 2.242 1.00 10.00 C ATOM 317 O GLU A 21 2.291 -13.358 3.242 1.00 10.00 O ATOM 318 CB GLU A 21 3.464 -13.950 0.137 1.00 10.00 C ATOM 319 CG GLU A 21 4.739 -13.556 0.900 1.00 10.00 C ATOM 320 CD GLU A 21 5.516 -14.739 1.449 1.00 10.00 C ATOM 321 OE1 GLU A 21 4.859 -15.566 2.114 1.00 10.00 O ATOM 322 OE2 GLU A 21 6.749 -14.754 1.254 1.00 10.00 O ATOM 0 H GLU A 21 2.460 -11.588 1.745 1.00 10.00 H new ATOM 0 HA GLU A 21 1.332 -13.806 0.252 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.424 -15.035 0.039 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.507 -13.540 -0.872 1.00 10.00 H new ATOM 0 HG2 GLU A 21 5.387 -12.985 0.235 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.468 -12.897 1.725 1.00 10.00 H new ATOM 329 N LYS A 22 1.637 -15.306 2.324 1.00 10.00 N ATOM 330 CA LYS A 22 1.360 -16.000 3.575 1.00 10.00 C ATOM 331 C LYS A 22 2.661 -16.399 4.292 1.00 10.00 C ATOM 332 O LYS A 22 2.958 -17.579 4.469 1.00 10.00 O ATOM 333 CB LYS A 22 0.437 -17.196 3.268 1.00 10.00 C ATOM 334 CG LYS A 22 -0.544 -17.545 4.395 1.00 10.00 C ATOM 335 CD LYS A 22 0.133 -17.962 5.703 1.00 10.00 C ATOM 336 CE LYS A 22 -0.942 -18.473 6.673 1.00 10.00 C ATOM 337 NZ LYS A 22 -0.426 -18.619 8.049 1.00 10.00 N ATOM 0 H LYS A 22 1.486 -15.889 1.501 1.00 10.00 H new ATOM 0 HA LYS A 22 0.844 -15.341 4.273 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -0.131 -16.978 2.363 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.053 -18.070 3.056 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -1.182 -16.683 4.587 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -1.193 -18.354 4.060 1.00 10.00 H new ATOM 0 HD2 LYS A 22 0.872 -18.740 5.514 1.00 10.00 H new ATOM 0 HD3 LYS A 22 0.665 -17.116 6.140 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -1.786 -17.783 6.674 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -1.317 -19.435 6.323 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -1.185 -18.966 8.669 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 0.363 -19.297 8.054 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -0.092 -17.697 8.394 1.00 10.00 H new ATOM 351 N GLY A 23 3.401 -15.400 4.769 1.00 10.00 N ATOM 352 CA GLY A 23 4.762 -15.578 5.271 1.00 10.00 C ATOM 353 C GLY A 23 5.518 -14.263 5.417 1.00 10.00 C ATOM 354 O GLY A 23 6.455 -14.190 6.213 1.00 10.00 O ATOM 0 H GLY A 23 3.070 -14.436 4.818 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.724 -16.079 6.238 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.310 -16.233 4.594 1.00 10.00 H new ATOM 358 N GLY A 24 5.119 -13.217 4.685 1.00 10.00 N ATOM 359 CA GLY A 24 5.650 -11.882 4.869 1.00 10.00 C ATOM 360 C GLY A 24 5.777 -11.495 6.342 1.00 10.00 C ATOM 361 O GLY A 24 4.790 -11.355 7.061 1.00 10.00 O ATOM 0 H GLY A 24 4.416 -13.283 3.949 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.629 -11.816 4.395 1.00 10.00 H new ATOM 0 HA3 GLY A 24 5.003 -11.165 4.364 1.00 10.00 H new ATOM 365 N LYS A 25 7.028 -11.322 6.760 1.00 10.00 N ATOM 366 CA LYS A 25 7.426 -10.961 8.107 1.00 10.00 C ATOM 367 C LYS A 25 7.039 -9.501 8.362 1.00 10.00 C ATOM 368 O LYS A 25 6.836 -8.768 7.392 1.00 10.00 O ATOM 369 CB LYS A 25 8.945 -11.151 8.205 1.00 10.00 C ATOM 370 CG LYS A 25 9.398 -12.553 7.754 1.00 10.00 C ATOM 371 CD LYS A 25 10.926 -12.542 7.599 1.00 10.00 C ATOM 372 CE LYS A 25 11.472 -13.955 7.350 1.00 10.00 C ATOM 373 NZ LYS A 25 12.923 -13.945 7.063 1.00 10.00 N ATOM 0 H LYS A 25 7.826 -11.436 6.135 1.00 10.00 H new ATOM 0 HA LYS A 25 6.931 -11.582 8.854 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.442 -10.398 7.593 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.262 -10.984 9.234 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.096 -13.303 8.486 1.00 10.00 H new ATOM 0 HG3 LYS A 25 8.923 -12.820 6.810 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.205 -11.891 6.770 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.382 -12.127 8.498 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.279 -14.577 8.224 1.00 10.00 H new ATOM 0 HE3 LYS A 25 10.940 -14.407 6.513 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 13.252 -14.918 6.901 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 13.105 -13.372 6.214 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 13.434 -13.537 7.872 1.00 10.00 H new ATOM 387 N HIS A 26 6.983 -9.086 9.636 1.00 10.00 N ATOM 388 CA HIS A 26 6.462 -7.784 10.050 1.00 10.00 C ATOM 389 C HIS A 26 7.116 -6.624 9.287 1.00 10.00 C ATOM 390 O HIS A 26 6.452 -5.961 8.495 1.00 10.00 O ATOM 391 CB HIS A 26 6.629 -7.588 11.571 1.00 10.00 C ATOM 392 CG HIS A 26 6.045 -8.667 12.452 1.00 10.00 C ATOM 393 ND1 HIS A 26 6.689 -9.270 13.512 1.00 10.00 N ATOM 394 CD2 HIS A 26 4.755 -9.129 12.440 1.00 10.00 C ATOM 395 CE1 HIS A 26 5.810 -10.096 14.106 1.00 10.00 C ATOM 396 NE2 HIS A 26 4.624 -10.053 13.481 1.00 10.00 N ATOM 0 H HIS A 26 7.305 -9.658 10.417 1.00 10.00 H new ATOM 0 HA HIS A 26 5.400 -7.775 9.805 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.693 -7.506 11.791 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.172 -6.637 11.846 1.00 10.00 H new ATOM 0 HD2 HIS A 26 3.979 -8.833 11.750 1.00 10.00 H new ATOM 0 HE1 HIS A 26 6.029 -10.709 14.968 1.00 10.00 H new ATOM 0 HE2 HIS A 26 3.790 -10.589 13.719 1.00 10.00 H new ATOM 404 N LYS A 27 8.418 -6.405 9.526 1.00 10.00 N ATOM 405 CA LYS A 27 9.220 -5.302 8.990 1.00 10.00 C ATOM 406 C LYS A 27 8.452 -3.966 8.949 1.00 10.00 C ATOM 407 O LYS A 27 7.665 -3.697 9.854 1.00 10.00 O ATOM 408 CB LYS A 27 9.933 -5.718 7.694 1.00 10.00 C ATOM 409 CG LYS A 27 8.936 -6.260 6.682 1.00 10.00 C ATOM 410 CD LYS A 27 9.565 -6.429 5.300 1.00 10.00 C ATOM 411 CE LYS A 27 8.582 -7.187 4.407 1.00 10.00 C ATOM 412 NZ LYS A 27 8.608 -8.638 4.669 1.00 10.00 N ATOM 0 H LYS A 27 8.963 -7.023 10.127 1.00 10.00 H new ATOM 0 HA LYS A 27 10.027 -5.084 9.690 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.459 -4.862 7.271 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.684 -6.476 7.914 1.00 10.00 H new ATOM 0 HG2 LYS A 27 8.554 -7.221 7.027 1.00 10.00 H new ATOM 0 HG3 LYS A 27 8.084 -5.584 6.613 1.00 10.00 H new ATOM 0 HD2 LYS A 27 9.796 -5.455 4.868 1.00 10.00 H new ATOM 0 HD3 LYS A 27 10.505 -6.975 5.376 1.00 10.00 H new ATOM 0 HE2 LYS A 27 7.574 -6.806 4.572 1.00 10.00 H new ATOM 0 HE3 LYS A 27 8.825 -7.003 3.361 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.827 -9.097 4.158 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 9.514 -9.033 4.344 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 8.502 -8.808 5.689 1.00 10.00 H new ATOM 426 N THR A 28 8.702 -3.113 7.949 1.00 10.00 N ATOM 427 CA THR A 28 8.084 -1.795 7.865 1.00 10.00 C ATOM 428 C THR A 28 6.740 -1.886 7.136 1.00 10.00 C ATOM 429 O THR A 28 5.738 -1.418 7.666 1.00 10.00 O ATOM 430 CB THR A 28 9.078 -0.758 7.315 1.00 10.00 C ATOM 431 OG1 THR A 28 10.303 -0.876 8.008 1.00 10.00 O ATOM 432 CG2 THR A 28 8.569 0.676 7.474 1.00 10.00 C ATOM 0 H THR A 28 9.338 -3.321 7.179 1.00 10.00 H new ATOM 0 HA THR A 28 7.837 -1.424 8.860 1.00 10.00 H new ATOM 0 HB THR A 28 9.203 -0.959 6.251 1.00 10.00 H new ATOM 0 HG1 THR A 28 10.941 -0.218 7.660 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.306 1.371 7.071 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.629 0.790 6.934 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.409 0.890 8.531 1.00 10.00 H new ATOM 440 N GLY A 29 6.671 -2.494 5.948 1.00 10.00 N ATOM 441 CA GLY A 29 5.404 -2.699 5.263 1.00 10.00 C ATOM 442 C GLY A 29 4.717 -3.947 5.830 1.00 10.00 C ATOM 443 O GLY A 29 5.227 -5.053 5.641 1.00 10.00 O ATOM 0 H GLY A 29 7.483 -2.851 5.445 1.00 10.00 H new ATOM 0 HA2 GLY A 29 4.763 -1.827 5.391 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.571 -2.817 4.192 1.00 10.00 H new ATOM 447 N PRO A 30 3.568 -3.807 6.511 1.00 10.00 N ATOM 448 CA PRO A 30 2.997 -4.863 7.333 1.00 10.00 C ATOM 449 C PRO A 30 2.294 -5.919 6.483 1.00 10.00 C ATOM 450 O PRO A 30 1.066 -5.943 6.452 1.00 10.00 O ATOM 451 CB PRO A 30 2.015 -4.128 8.245 1.00 10.00 C ATOM 452 CG PRO A 30 1.507 -2.984 7.377 1.00 10.00 C ATOM 453 CD PRO A 30 2.791 -2.583 6.656 1.00 10.00 C ATOM 0 HA PRO A 30 3.754 -5.412 7.893 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.202 -4.779 8.566 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.504 -3.760 9.147 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.727 -3.304 6.686 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.093 -2.168 7.969 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.571 -2.143 5.683 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.342 -1.836 7.227 1.00 10.00 H new ATOM 461 N ASN A 31 3.083 -6.768 5.807 1.00 10.00 N ATOM 462 CA ASN A 31 2.664 -7.868 4.935 1.00 10.00 C ATOM 463 C ASN A 31 1.187 -7.814 4.556 1.00 10.00 C ATOM 464 O ASN A 31 0.348 -8.399 5.242 1.00 10.00 O ATOM 465 CB ASN A 31 2.981 -9.223 5.570 1.00 10.00 C ATOM 466 CG ASN A 31 2.533 -10.368 4.657 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.591 -10.262 3.432 1.00 10.00 O ATOM 468 ND2 ASN A 31 2.108 -11.484 5.233 1.00 10.00 N ATOM 0 H ASN A 31 4.099 -6.696 5.861 1.00 10.00 H new ATOM 0 HA ASN A 31 3.237 -7.748 4.015 1.00 10.00 H new ATOM 0 HB2 ASN A 31 4.052 -9.300 5.759 1.00 10.00 H new ATOM 0 HB3 ASN A 31 2.480 -9.304 6.535 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.821 -12.277 4.659 1.00 10.00 H new ATOM 0 HD22 ASN A 31 2.068 -11.550 6.250 1.00 10.00 H new ATOM 475 N LEU A 32 0.866 -7.115 3.468 1.00 10.00 N ATOM 476 CA LEU A 32 -0.507 -6.823 3.079 1.00 10.00 C ATOM 477 C LEU A 32 -1.213 -8.035 2.450 1.00 10.00 C ATOM 478 O LEU A 32 -1.890 -7.926 1.430 1.00 10.00 O ATOM 479 CB LEU A 32 -0.527 -5.565 2.191 1.00 10.00 C ATOM 480 CG LEU A 32 -0.658 -4.258 2.990 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.496 -3.086 2.015 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.998 -4.182 3.729 1.00 10.00 C ATOM 0 H LEU A 32 1.562 -6.733 2.827 1.00 10.00 H new ATOM 0 HA LEU A 32 -1.092 -6.609 3.973 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.388 -5.531 1.600 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.357 -5.638 1.488 1.00 10.00 H new ATOM 0 HG LEU A 32 0.118 -4.217 3.754 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.585 -2.145 2.559 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.484 -3.140 1.541 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.272 -3.138 1.251 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -2.055 -3.245 4.283 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.814 -4.228 3.008 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -2.079 -5.019 4.423 1.00 10.00 H new ATOM 494 N HIS A 33 -1.131 -9.195 3.098 1.00 10.00 N ATOM 495 CA HIS A 33 -1.747 -10.433 2.662 1.00 10.00 C ATOM 496 C HIS A 33 -3.231 -10.424 3.046 1.00 10.00 C ATOM 497 O HIS A 33 -3.683 -11.193 3.891 1.00 10.00 O ATOM 498 CB HIS A 33 -0.945 -11.586 3.270 1.00 10.00 C ATOM 499 CG HIS A 33 -1.389 -12.948 2.820 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.647 -13.364 1.530 1.00 10.00 N ATOM 501 CD2 HIS A 33 -1.635 -14.000 3.653 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.070 -14.637 1.599 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.071 -15.071 2.871 1.00 10.00 N ATOM 0 H HIS A 33 -0.614 -9.296 3.971 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.725 -10.554 1.579 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.107 -11.456 3.015 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.019 -11.532 4.356 1.00 10.00 H new ATOM 0 HD1 HIS A 33 -1.537 -12.808 0.682 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.514 -14.004 4.726 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.369 -15.231 0.748 1.00 10.00 H new ATOM 511 N GLY A 34 -3.968 -9.491 2.440 1.00 10.00 N ATOM 512 CA GLY A 34 -5.401 -9.298 2.613 1.00 10.00 C ATOM 513 C GLY A 34 -5.725 -7.809 2.693 1.00 10.00 C ATOM 514 O GLY A 34 -6.374 -7.358 3.634 1.00 10.00 O ATOM 0 H GLY A 34 -3.560 -8.822 1.787 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -5.940 -9.751 1.781 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.736 -9.800 3.521 1.00 10.00 H new ATOM 518 N LEU A 35 -5.249 -7.036 1.711 1.00 10.00 N ATOM 519 CA LEU A 35 -5.498 -5.610 1.638 1.00 10.00 C ATOM 520 C LEU A 35 -6.957 -5.347 1.258 1.00 10.00 C ATOM 521 O LEU A 35 -7.668 -4.629 1.959 1.00 10.00 O ATOM 522 CB LEU A 35 -4.542 -4.972 0.611 1.00 10.00 C ATOM 523 CG LEU A 35 -4.741 -3.463 0.389 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.436 -2.640 1.641 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.859 -2.984 -0.762 1.00 10.00 C ATOM 0 H LEU A 35 -4.678 -7.393 0.945 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.316 -5.160 2.614 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.516 -5.144 0.936 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.664 -5.484 -0.344 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.793 -3.313 0.146 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.593 -1.582 1.428 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -5.098 -2.949 2.450 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.400 -2.801 1.939 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -4.006 -1.915 -0.912 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.813 -3.176 -0.523 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.127 -3.519 -1.673 1.00 10.00 H new ATOM 537 N PHE A 36 -7.386 -5.911 0.124 1.00 10.00 N ATOM 538 CA PHE A 36 -8.668 -5.622 -0.514 1.00 10.00 C ATOM 539 C PHE A 36 -9.823 -6.294 0.224 1.00 10.00 C ATOM 540 O PHE A 36 -10.502 -7.156 -0.330 1.00 10.00 O ATOM 541 CB PHE A 36 -8.646 -6.055 -1.987 1.00 10.00 C ATOM 542 CG PHE A 36 -7.546 -5.413 -2.800 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.277 -6.008 -2.831 1.00 10.00 C ATOM 544 CD2 PHE A 36 -7.769 -4.209 -3.490 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.231 -5.409 -3.542 1.00 10.00 C ATOM 546 CE2 PHE A 36 -6.719 -3.619 -4.211 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.462 -4.231 -4.267 1.00 10.00 C ATOM 0 H PHE A 36 -6.833 -6.600 -0.387 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.826 -4.545 -0.468 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.534 -7.138 -2.035 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.607 -5.813 -2.440 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -6.106 -6.934 -2.303 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -8.742 -3.741 -3.466 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.247 -5.854 -3.532 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -6.883 -2.685 -4.727 1.00 10.00 H new ATOM 0 HZ PHE A 36 -4.674 -3.798 -4.865 1.00 10.00 H new ATOM 557 N GLY A 37 -10.050 -5.896 1.472 1.00 10.00 N ATOM 558 CA GLY A 37 -11.125 -6.427 2.291 1.00 10.00 C ATOM 559 C GLY A 37 -10.911 -6.063 3.754 1.00 10.00 C ATOM 560 O GLY A 37 -11.024 -6.918 4.629 1.00 10.00 O ATOM 0 H GLY A 37 -9.486 -5.189 1.944 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.081 -6.031 1.948 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.171 -7.511 2.183 1.00 10.00 H new ATOM 564 N ARG A 38 -10.607 -4.792 4.031 1.00 10.00 N ATOM 565 CA ARG A 38 -10.434 -4.295 5.386 1.00 10.00 C ATOM 566 C ARG A 38 -10.582 -2.774 5.403 1.00 10.00 C ATOM 567 O ARG A 38 -10.719 -2.147 4.351 1.00 10.00 O ATOM 568 CB ARG A 38 -9.093 -4.765 5.977 1.00 10.00 C ATOM 569 CG ARG A 38 -7.868 -4.298 5.167 1.00 10.00 C ATOM 570 CD ARG A 38 -6.785 -3.628 6.040 1.00 10.00 C ATOM 571 NE ARG A 38 -5.456 -4.249 5.918 1.00 10.00 N ATOM 572 CZ ARG A 38 -5.166 -5.513 6.276 1.00 10.00 C ATOM 573 NH1 ARG A 38 -6.145 -6.325 6.684 1.00 10.00 N ATOM 574 NH2 ARG A 38 -3.908 -5.962 6.239 1.00 10.00 N ATOM 0 H ARG A 38 -10.475 -4.080 3.313 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.214 -4.709 6.025 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -9.006 -4.395 6.999 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -9.090 -5.854 6.030 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -7.433 -5.154 4.652 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -8.193 -3.596 4.400 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -6.711 -2.576 5.766 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.099 -3.665 7.083 1.00 10.00 H new ATOM 0 HE ARG A 38 -4.701 -3.680 5.535 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.106 -5.986 6.723 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -5.931 -7.284 6.957 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -3.155 -5.344 5.937 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -3.701 -6.922 6.513 1.00 10.00 H new ATOM 588 N LYS A 39 -10.585 -2.202 6.608 1.00 10.00 N ATOM 589 CA LYS A 39 -10.521 -0.769 6.851 1.00 10.00 C ATOM 590 C LYS A 39 -9.088 -0.403 7.248 1.00 10.00 C ATOM 591 O LYS A 39 -8.261 -1.282 7.482 1.00 10.00 O ATOM 592 CB LYS A 39 -11.520 -0.383 7.955 1.00 10.00 C ATOM 593 CG LYS A 39 -12.881 0.107 7.423 1.00 10.00 C ATOM 594 CD LYS A 39 -14.052 -0.801 7.821 1.00 10.00 C ATOM 595 CE LYS A 39 -14.190 -1.998 6.869 1.00 10.00 C ATOM 596 NZ LYS A 39 -15.124 -3.022 7.386 1.00 10.00 N ATOM 0 H LYS A 39 -10.634 -2.747 7.469 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.791 -0.218 5.950 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.683 -1.245 8.601 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -11.079 0.400 8.573 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -13.068 1.114 7.797 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.835 0.174 6.336 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.904 -1.161 8.839 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -14.977 -0.225 7.818 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.539 -1.648 5.898 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -13.210 -2.449 6.712 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.184 -3.810 6.710 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -14.779 -3.377 8.301 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -16.066 -2.601 7.511 1.00 10.00 H new ATOM 610 N THR A 40 -8.806 0.897 7.308 1.00 10.00 N ATOM 611 CA THR A 40 -7.503 1.448 7.626 1.00 10.00 C ATOM 612 C THR A 40 -7.243 1.405 9.130 1.00 10.00 C ATOM 613 O THR A 40 -8.082 0.942 9.902 1.00 10.00 O ATOM 614 CB THR A 40 -7.490 2.884 7.094 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.572 3.607 7.652 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.687 2.860 5.581 1.00 10.00 C ATOM 0 H THR A 40 -9.508 1.616 7.129 1.00 10.00 H new ATOM 0 HA THR A 40 -6.708 0.863 7.164 1.00 10.00 H new ATOM 0 HB THR A 40 -6.541 3.350 7.357 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.339 3.895 8.559 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.679 3.880 5.197 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.881 2.291 5.118 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.643 2.392 5.346 1.00 10.00 H new ATOM 624 N GLY A 41 -6.086 1.930 9.543 1.00 10.00 N ATOM 625 CA GLY A 41 -5.624 1.903 10.923 1.00 10.00 C ATOM 626 C GLY A 41 -5.843 0.547 11.584 1.00 10.00 C ATOM 627 O GLY A 41 -6.333 0.488 12.710 1.00 10.00 O ATOM 0 H GLY A 41 -5.435 2.394 8.910 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -4.563 2.151 10.953 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.147 2.671 11.493 1.00 10.00 H new ATOM 631 N GLN A 42 -5.493 -0.534 10.883 1.00 10.00 N ATOM 632 CA GLN A 42 -5.609 -1.904 11.348 1.00 10.00 C ATOM 633 C GLN A 42 -4.488 -2.696 10.685 1.00 10.00 C ATOM 634 O GLN A 42 -4.294 -2.586 9.476 1.00 10.00 O ATOM 635 CB GLN A 42 -6.977 -2.493 10.961 1.00 10.00 C ATOM 636 CG GLN A 42 -8.148 -1.997 11.820 1.00 10.00 C ATOM 637 CD GLN A 42 -8.024 -2.449 13.274 1.00 10.00 C ATOM 638 OE1 GLN A 42 -8.463 -3.539 13.625 1.00 10.00 O ATOM 639 NE2 GLN A 42 -7.416 -1.636 14.132 1.00 10.00 N ATOM 0 H GLN A 42 -5.107 -0.469 9.941 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.530 -1.949 12.434 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.180 -2.252 9.918 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -6.924 -3.579 11.033 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.190 -0.909 11.781 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.085 -2.367 11.404 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -7.059 -0.734 13.815 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -7.306 -1.914 15.107 1.00 10.00 H new ATOM 648 N ALA A 43 -3.744 -3.479 11.468 1.00 10.00 N ATOM 649 CA ALA A 43 -2.661 -4.313 10.977 1.00 10.00 C ATOM 650 C ALA A 43 -2.410 -5.412 12.008 1.00 10.00 C ATOM 651 O ALA A 43 -2.569 -5.152 13.202 1.00 10.00 O ATOM 652 CB ALA A 43 -1.403 -3.468 10.797 1.00 10.00 C ATOM 0 H ALA A 43 -3.884 -3.548 12.476 1.00 10.00 H new ATOM 0 HA ALA A 43 -2.922 -4.752 10.014 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.592 -4.096 10.429 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -1.599 -2.671 10.079 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.118 -3.032 11.754 1.00 10.00 H new ATOM 658 N PRO A 44 -2.039 -6.627 11.583 1.00 10.00 N ATOM 659 CA PRO A 44 -1.882 -7.748 12.489 1.00 10.00 C ATOM 660 C PRO A 44 -0.604 -7.602 13.321 1.00 10.00 C ATOM 661 O PRO A 44 0.483 -7.909 12.840 1.00 10.00 O ATOM 662 CB PRO A 44 -1.867 -8.990 11.591 1.00 10.00 C ATOM 663 CG PRO A 44 -1.306 -8.467 10.267 1.00 10.00 C ATOM 664 CD PRO A 44 -1.850 -7.040 10.201 1.00 10.00 C ATOM 0 HA PRO A 44 -2.688 -7.812 13.220 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -1.242 -9.779 12.008 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -2.866 -9.407 11.467 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.216 -8.484 10.256 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -1.643 -9.067 9.421 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.153 -6.379 9.686 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.790 -7.004 9.650 1.00 10.00 H new ATOM 672 N GLY A 45 -0.744 -7.142 14.570 1.00 10.00 N ATOM 673 CA GLY A 45 0.335 -7.096 15.555 1.00 10.00 C ATOM 674 C GLY A 45 1.580 -6.398 15.010 1.00 10.00 C ATOM 675 O GLY A 45 2.684 -6.934 15.064 1.00 10.00 O ATOM 0 H GLY A 45 -1.630 -6.785 14.928 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.011 -6.575 16.447 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.592 -8.111 15.858 1.00 10.00 H new ATOM 679 N PHE A 46 1.371 -5.192 14.480 1.00 10.00 N ATOM 680 CA PHE A 46 2.384 -4.396 13.799 1.00 10.00 C ATOM 681 C PHE A 46 2.521 -3.026 14.472 1.00 10.00 C ATOM 682 O PHE A 46 3.627 -2.614 14.807 1.00 10.00 O ATOM 683 CB PHE A 46 1.978 -4.263 12.328 1.00 10.00 C ATOM 684 CG PHE A 46 2.658 -3.128 11.593 1.00 10.00 C ATOM 685 CD1 PHE A 46 4.031 -3.212 11.295 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.938 -1.965 11.256 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.673 -2.146 10.645 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.583 -0.901 10.603 1.00 10.00 C ATOM 689 CZ PHE A 46 3.953 -0.990 10.306 1.00 10.00 C ATOM 0 H PHE A 46 0.462 -4.731 14.516 1.00 10.00 H new ATOM 0 HA PHE A 46 3.358 -4.882 13.859 1.00 10.00 H new ATOM 0 HB2 PHE A 46 2.203 -5.198 11.815 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.899 -4.121 12.273 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.590 -4.095 11.566 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.889 -1.891 11.500 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.724 -2.216 10.405 1.00 10.00 H new ATOM 0 HE2 PHE A 46 2.027 -0.017 10.330 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.453 -0.168 9.816 1.00 10.00 H new ATOM 699 N THR A 47 1.382 -2.341 14.647 1.00 10.00 N ATOM 700 CA THR A 47 1.254 -1.008 15.227 1.00 10.00 C ATOM 701 C THR A 47 1.534 0.077 14.177 1.00 10.00 C ATOM 702 O THR A 47 2.661 0.250 13.726 1.00 10.00 O ATOM 703 CB THR A 47 2.064 -0.854 16.528 1.00 10.00 C ATOM 704 OG1 THR A 47 1.814 -1.968 17.366 1.00 10.00 O ATOM 705 CG2 THR A 47 1.657 0.412 17.289 1.00 10.00 C ATOM 0 H THR A 47 0.480 -2.728 14.371 1.00 10.00 H new ATOM 0 HA THR A 47 0.218 -0.869 15.535 1.00 10.00 H new ATOM 0 HB THR A 47 3.119 -0.788 16.262 1.00 10.00 H new ATOM 0 HG1 THR A 47 2.329 -1.876 18.195 1.00 10.00 H new ATOM 0 HG21 THR A 47 2.246 0.493 18.202 1.00 10.00 H new ATOM 0 HG22 THR A 47 1.836 1.286 16.663 1.00 10.00 H new ATOM 0 HG23 THR A 47 0.598 0.359 17.544 1.00 10.00 H new ATOM 713 N TYR A 48 0.475 0.786 13.772 1.00 10.00 N ATOM 714 CA TYR A 48 0.473 1.800 12.726 1.00 10.00 C ATOM 715 C TYR A 48 0.519 3.195 13.355 1.00 10.00 C ATOM 716 O TYR A 48 0.374 3.339 14.567 1.00 10.00 O ATOM 717 CB TYR A 48 -0.786 1.614 11.859 1.00 10.00 C ATOM 718 CG TYR A 48 -2.072 1.449 12.655 1.00 10.00 C ATOM 719 CD1 TYR A 48 -2.646 2.558 13.304 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.559 0.157 12.933 1.00 10.00 C ATOM 721 CE1 TYR A 48 -3.643 2.374 14.276 1.00 10.00 C ATOM 722 CE2 TYR A 48 -3.545 -0.028 13.916 1.00 10.00 C ATOM 723 CZ TYR A 48 -4.082 1.078 14.594 1.00 10.00 C ATOM 724 OH TYR A 48 -5.010 0.888 15.574 1.00 10.00 O ATOM 0 H TYR A 48 -0.447 0.658 14.189 1.00 10.00 H new ATOM 0 HA TYR A 48 1.354 1.694 12.092 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -0.889 2.475 11.198 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -0.650 0.739 11.224 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -2.318 3.556 13.053 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -2.174 -0.693 12.389 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -4.072 3.228 14.779 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -3.891 -1.024 14.151 1.00 10.00 H new ATOM 0 HH TYR A 48 -5.201 -0.069 15.663 1.00 10.00 H new ATOM 734 N THR A 49 0.697 4.223 12.524 1.00 10.00 N ATOM 735 CA THR A 49 0.743 5.607 12.954 1.00 10.00 C ATOM 736 C THR A 49 -0.677 6.164 13.076 1.00 10.00 C ATOM 737 O THR A 49 -1.563 5.758 12.320 1.00 10.00 O ATOM 738 CB THR A 49 1.539 6.395 11.903 1.00 10.00 C ATOM 739 OG1 THR A 49 0.991 6.137 10.623 1.00 10.00 O ATOM 740 CG2 THR A 49 3.009 5.966 11.884 1.00 10.00 C ATOM 0 H THR A 49 0.815 4.107 11.517 1.00 10.00 H new ATOM 0 HA THR A 49 1.221 5.691 13.930 1.00 10.00 H new ATOM 0 HB THR A 49 1.480 7.454 12.155 1.00 10.00 H new ATOM 0 HG1 THR A 49 1.492 6.638 9.946 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.546 6.541 11.130 1.00 10.00 H new ATOM 0 HG22 THR A 49 3.453 6.146 12.863 1.00 10.00 H new ATOM 0 HG23 THR A 49 3.075 4.904 11.645 1.00 10.00 H new ATOM 748 N ASP A 50 -0.883 7.129 13.985 1.00 10.00 N ATOM 749 CA ASP A 50 -2.145 7.849 14.139 1.00 10.00 C ATOM 750 C ASP A 50 -2.733 8.201 12.779 1.00 10.00 C ATOM 751 O ASP A 50 -3.875 7.859 12.496 1.00 10.00 O ATOM 752 CB ASP A 50 -1.948 9.119 14.982 1.00 10.00 C ATOM 753 CG ASP A 50 -2.429 8.896 16.406 1.00 10.00 C ATOM 754 OD1 ASP A 50 -1.659 8.270 17.164 1.00 10.00 O ATOM 755 OD2 ASP A 50 -3.567 9.327 16.692 1.00 10.00 O ATOM 0 H ASP A 50 -0.163 7.432 14.641 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.846 7.196 14.659 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -0.894 9.398 14.988 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -2.495 9.948 14.533 1.00 10.00 H new ATOM 760 N ALA A 51 -1.923 8.834 11.925 1.00 10.00 N ATOM 761 CA ALA A 51 -2.246 9.157 10.540 1.00 10.00 C ATOM 762 C ALA A 51 -3.048 8.055 9.831 1.00 10.00 C ATOM 763 O ALA A 51 -4.042 8.347 9.166 1.00 10.00 O ATOM 764 CB ALA A 51 -0.951 9.460 9.780 1.00 10.00 C ATOM 0 H ALA A 51 -0.990 9.146 12.194 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.892 10.035 10.549 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.186 9.702 8.743 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.446 10.306 10.245 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.299 8.587 9.810 1.00 10.00 H new ATOM 770 N ASN A 52 -2.642 6.786 9.950 1.00 10.00 N ATOM 771 CA ASN A 52 -3.330 5.722 9.225 1.00 10.00 C ATOM 772 C ASN A 52 -4.741 5.494 9.772 1.00 10.00 C ATOM 773 O ASN A 52 -5.675 5.220 9.020 1.00 10.00 O ATOM 774 CB ASN A 52 -2.532 4.412 9.235 1.00 10.00 C ATOM 775 CG ASN A 52 -3.060 3.476 8.146 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.550 3.937 7.118 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.982 2.166 8.336 1.00 10.00 N ATOM 0 H ASN A 52 -1.859 6.479 10.528 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.414 6.052 8.189 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.475 4.618 9.069 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.614 3.933 10.211 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.332 1.526 7.623 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.572 1.799 9.195 1.00 10.00 H new ATOM 784 N LYS A 53 -4.894 5.617 11.090 1.00 10.00 N ATOM 785 CA LYS A 53 -6.180 5.560 11.775 1.00 10.00 C ATOM 786 C LYS A 53 -7.016 6.788 11.417 1.00 10.00 C ATOM 787 O LYS A 53 -8.223 6.686 11.211 1.00 10.00 O ATOM 788 CB LYS A 53 -5.916 5.451 13.286 1.00 10.00 C ATOM 789 CG LYS A 53 -6.970 4.659 14.073 1.00 10.00 C ATOM 790 CD LYS A 53 -8.154 5.520 14.535 1.00 10.00 C ATOM 791 CE LYS A 53 -8.941 4.758 15.615 1.00 10.00 C ATOM 792 NZ LYS A 53 -10.054 5.553 16.172 1.00 10.00 N ATOM 0 H LYS A 53 -4.108 5.762 11.723 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.753 4.688 11.460 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -4.944 4.982 13.437 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.853 6.456 13.702 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.342 3.845 13.451 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.498 4.205 14.944 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -7.796 6.470 14.931 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -8.803 5.751 13.690 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -9.336 3.835 15.189 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -8.264 4.473 16.420 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -10.552 4.995 16.895 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -9.678 6.422 16.603 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -10.717 5.803 15.411 1.00 10.00 H new ATOM 806 N ASN A 54 -6.351 7.939 11.319 1.00 10.00 N ATOM 807 CA ASN A 54 -6.929 9.214 10.934 1.00 10.00 C ATOM 808 C ASN A 54 -7.550 9.131 9.542 1.00 10.00 C ATOM 809 O ASN A 54 -8.514 9.835 9.263 1.00 10.00 O ATOM 810 CB ASN A 54 -5.850 10.307 10.985 1.00 10.00 C ATOM 811 CG ASN A 54 -6.435 11.644 11.414 1.00 10.00 C ATOM 812 OD1 ASN A 54 -6.682 12.524 10.598 1.00 10.00 O ATOM 813 ND2 ASN A 54 -6.638 11.807 12.719 1.00 10.00 N ATOM 0 H ASN A 54 -5.352 8.005 11.515 1.00 10.00 H new ATOM 0 HA ASN A 54 -7.723 9.467 11.636 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.064 10.012 11.680 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.386 10.409 10.004 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -7.012 12.688 13.071 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -6.420 11.050 13.367 1.00 10.00 H new ATOM 820 N LYS A 55 -7.003 8.266 8.676 1.00 10.00 N ATOM 821 CA LYS A 55 -7.538 8.045 7.342 1.00 10.00 C ATOM 822 C LYS A 55 -8.996 7.590 7.441 1.00 10.00 C ATOM 823 O LYS A 55 -9.889 8.234 6.903 1.00 10.00 O ATOM 824 CB LYS A 55 -6.659 7.026 6.609 1.00 10.00 C ATOM 825 CG LYS A 55 -6.678 7.248 5.091 1.00 10.00 C ATOM 826 CD LYS A 55 -5.716 6.252 4.430 1.00 10.00 C ATOM 827 CE LYS A 55 -4.229 6.618 4.602 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.383 5.454 4.956 1.00 10.00 N ATOM 0 H LYS A 55 -6.178 7.705 8.889 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.525 8.971 6.767 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.635 7.099 6.975 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.006 6.018 6.834 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.687 7.111 4.703 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.382 8.270 4.856 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.888 5.261 4.850 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.945 6.191 3.366 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -3.860 7.060 3.677 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.135 7.378 5.378 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -2.380 5.726 4.909 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -3.612 5.139 5.921 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -3.562 4.678 4.287 1.00 10.00 H new ATOM 842 N GLY A 56 -9.222 6.475 8.141 1.00 10.00 N ATOM 843 CA GLY A 56 -10.547 5.927 8.384 1.00 10.00 C ATOM 844 C GLY A 56 -11.303 5.626 7.087 1.00 10.00 C ATOM 845 O GLY A 56 -12.410 6.119 6.889 1.00 10.00 O ATOM 0 H GLY A 56 -8.473 5.923 8.559 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.457 5.012 8.969 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.124 6.632 8.982 1.00 10.00 H new ATOM 849 N ILE A 57 -10.718 4.798 6.213 1.00 10.00 N ATOM 850 CA ILE A 57 -11.298 4.418 4.923 1.00 10.00 C ATOM 851 C ILE A 57 -11.146 2.912 4.694 1.00 10.00 C ATOM 852 O ILE A 57 -10.852 2.176 5.638 1.00 10.00 O ATOM 853 CB ILE A 57 -10.732 5.287 3.770 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.262 4.995 3.427 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.967 6.772 4.049 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.770 5.776 2.206 1.00 10.00 C ATOM 0 H ILE A 57 -9.811 4.366 6.388 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.369 4.622 4.938 1.00 10.00 H new ATOM 0 HB ILE A 57 -11.289 5.006 2.876 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.638 5.242 4.286 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -9.142 3.928 3.242 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.563 7.365 3.228 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.037 6.960 4.140 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.469 7.051 4.978 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.726 5.529 2.012 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -9.373 5.511 1.337 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -8.860 6.845 2.397 1.00 10.00 H new ATOM 868 N THR A 58 -11.350 2.458 3.451 1.00 10.00 N ATOM 869 CA THR A 58 -11.167 1.079 3.028 1.00 10.00 C ATOM 870 C THR A 58 -10.181 0.999 1.857 1.00 10.00 C ATOM 871 O THR A 58 -9.624 2.006 1.414 1.00 10.00 O ATOM 872 CB THR A 58 -12.528 0.433 2.723 1.00 10.00 C ATOM 873 OG1 THR A 58 -12.385 -0.959 2.506 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.186 1.059 1.494 1.00 10.00 C ATOM 0 H THR A 58 -11.657 3.067 2.693 1.00 10.00 H new ATOM 0 HA THR A 58 -10.722 0.504 3.840 1.00 10.00 H new ATOM 0 HB THR A 58 -13.164 0.608 3.591 1.00 10.00 H new ATOM 0 HG1 THR A 58 -11.850 -1.349 3.228 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.146 0.577 1.310 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.342 2.124 1.668 1.00 10.00 H new ATOM 0 HG23 THR A 58 -12.540 0.924 0.627 1.00 10.00 H new ATOM 882 N TRP A 59 -10.000 -0.215 1.341 1.00 10.00 N ATOM 883 CA TRP A 59 -9.092 -0.538 0.261 1.00 10.00 C ATOM 884 C TRP A 59 -9.844 -1.377 -0.760 1.00 10.00 C ATOM 885 O TRP A 59 -10.252 -2.498 -0.467 1.00 10.00 O ATOM 886 CB TRP A 59 -7.869 -1.246 0.825 1.00 10.00 C ATOM 887 CG TRP A 59 -7.192 -0.477 1.912 1.00 10.00 C ATOM 888 CD1 TRP A 59 -7.269 -0.784 3.222 1.00 10.00 C ATOM 889 CD2 TRP A 59 -6.434 0.771 1.834 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.506 0.104 3.944 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.999 1.112 3.149 1.00 10.00 C ATOM 892 CE3 TRP A 59 -6.072 1.656 0.794 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -5.222 2.251 3.414 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -5.335 2.824 1.056 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.898 3.119 2.358 1.00 10.00 C ATOM 0 H TRP A 59 -10.508 -1.030 1.684 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.732 0.359 -0.242 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -8.167 -2.221 1.210 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -7.158 -1.426 0.019 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.840 -1.600 3.640 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -6.335 0.027 4.947 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.367 1.431 -0.220 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.878 2.457 4.417 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -5.102 3.502 0.248 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -4.316 4.009 2.546 1.00 10.00 H new ATOM 906 N LYS A 60 -10.064 -0.803 -1.943 1.00 10.00 N ATOM 907 CA LYS A 60 -10.802 -1.437 -3.027 1.00 10.00 C ATOM 908 C LYS A 60 -10.205 -1.007 -4.369 1.00 10.00 C ATOM 909 O LYS A 60 -10.948 -0.664 -5.281 1.00 10.00 O ATOM 910 CB LYS A 60 -12.292 -1.066 -2.921 1.00 10.00 C ATOM 911 CG LYS A 60 -12.512 0.460 -2.944 1.00 10.00 C ATOM 912 CD LYS A 60 -13.797 0.881 -3.682 1.00 10.00 C ATOM 913 CE LYS A 60 -14.796 1.591 -2.762 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.487 0.639 -1.871 1.00 10.00 N ATOM 0 H LYS A 60 -9.727 0.131 -2.175 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.721 -2.522 -2.955 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.839 -1.523 -3.746 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.703 -1.477 -1.999 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -12.553 0.829 -1.919 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.655 0.936 -3.421 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.537 1.541 -4.509 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -14.269 -0.001 -4.114 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -14.273 2.337 -2.163 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -15.531 2.125 -3.365 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -16.155 1.155 -1.263 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -16.006 -0.058 -2.443 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -14.788 0.148 -1.278 1.00 10.00 H new ATOM 928 N GLU A 61 -8.871 -0.933 -4.433 1.00 10.00 N ATOM 929 CA GLU A 61 -8.065 -0.435 -5.547 1.00 10.00 C ATOM 930 C GLU A 61 -8.243 1.071 -5.803 1.00 10.00 C ATOM 931 O GLU A 61 -7.258 1.804 -5.827 1.00 10.00 O ATOM 932 CB GLU A 61 -8.084 -1.404 -6.758 1.00 10.00 C ATOM 933 CG GLU A 61 -9.162 -1.322 -7.852 1.00 10.00 C ATOM 934 CD GLU A 61 -9.583 -2.716 -8.344 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.370 -3.363 -7.625 1.00 10.00 O ATOM 936 OE2 GLU A 61 -9.097 -3.181 -9.402 1.00 10.00 O ATOM 0 H GLU A 61 -8.289 -1.241 -3.654 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.014 -0.457 -5.260 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.121 -1.301 -7.258 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.126 -2.414 -6.351 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.034 -0.795 -7.465 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -8.784 -0.739 -8.692 1.00 10.00 H new ATOM 943 N GLU A 62 -9.480 1.557 -5.882 1.00 10.00 N ATOM 944 CA GLU A 62 -9.841 2.963 -6.026 1.00 10.00 C ATOM 945 C GLU A 62 -9.105 3.886 -5.042 1.00 10.00 C ATOM 946 O GLU A 62 -8.584 4.927 -5.432 1.00 10.00 O ATOM 947 CB GLU A 62 -11.362 3.063 -5.850 1.00 10.00 C ATOM 948 CG GLU A 62 -11.950 4.394 -6.336 1.00 10.00 C ATOM 949 CD GLU A 62 -13.141 4.150 -7.253 1.00 10.00 C ATOM 950 OE1 GLU A 62 -14.112 3.543 -6.747 1.00 10.00 O ATOM 951 OE2 GLU A 62 -13.042 4.540 -8.435 1.00 10.00 O ATOM 0 H GLU A 62 -10.298 0.949 -5.845 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.535 3.308 -7.014 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.837 2.246 -6.393 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.607 2.930 -4.796 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.259 4.995 -5.481 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.186 4.963 -6.866 1.00 10.00 H new ATOM 958 N THR A 63 -9.067 3.537 -3.753 1.00 10.00 N ATOM 959 CA THR A 63 -8.441 4.392 -2.753 1.00 10.00 C ATOM 960 C THR A 63 -6.922 4.377 -2.929 1.00 10.00 C ATOM 961 O THR A 63 -6.288 5.424 -3.091 1.00 10.00 O ATOM 962 CB THR A 63 -8.864 3.934 -1.352 1.00 10.00 C ATOM 963 OG1 THR A 63 -8.686 2.542 -1.207 1.00 10.00 O ATOM 964 CG2 THR A 63 -10.343 4.229 -1.104 1.00 10.00 C ATOM 0 H THR A 63 -9.461 2.672 -3.383 1.00 10.00 H new ATOM 0 HA THR A 63 -8.772 5.422 -2.882 1.00 10.00 H new ATOM 0 HB THR A 63 -8.243 4.477 -0.640 1.00 10.00 H new ATOM 0 HG1 THR A 63 -7.949 2.370 -0.585 1.00 10.00 H new ATOM 0 HG21 THR A 63 -10.618 3.895 -0.104 1.00 10.00 H new ATOM 0 HG22 THR A 63 -10.519 5.301 -1.190 1.00 10.00 H new ATOM 0 HG23 THR A 63 -10.948 3.702 -1.842 1.00 10.00 H new ATOM 972 N LEU A 64 -6.335 3.175 -2.898 1.00 10.00 N ATOM 973 CA LEU A 64 -4.904 3.022 -3.083 1.00 10.00 C ATOM 974 C LEU A 64 -4.426 3.694 -4.376 1.00 10.00 C ATOM 975 O LEU A 64 -3.362 4.303 -4.369 1.00 10.00 O ATOM 976 CB LEU A 64 -4.380 1.585 -2.893 1.00 10.00 C ATOM 977 CG LEU A 64 -5.167 0.382 -3.389 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.190 -0.717 -3.819 1.00 10.00 C ATOM 979 CD2 LEU A 64 -6.139 -0.182 -2.347 1.00 10.00 C ATOM 0 H LEU A 64 -6.836 2.300 -2.746 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.439 3.563 -2.259 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -3.399 1.540 -3.367 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.224 1.443 -1.824 1.00 10.00 H new ATOM 0 HG LEU A 64 -5.771 0.723 -4.230 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.749 -1.582 -4.176 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -3.551 -0.343 -4.619 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -3.574 -1.009 -2.969 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -6.667 -1.038 -2.768 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -5.583 -0.497 -1.464 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -6.859 0.587 -2.068 1.00 10.00 H new ATOM 991 N MET A 65 -5.204 3.652 -5.461 1.00 10.00 N ATOM 992 CA MET A 65 -4.877 4.370 -6.687 1.00 10.00 C ATOM 993 C MET A 65 -4.429 5.817 -6.428 1.00 10.00 C ATOM 994 O MET A 65 -3.412 6.226 -6.988 1.00 10.00 O ATOM 995 CB MET A 65 -6.042 4.327 -7.687 1.00 10.00 C ATOM 996 CG MET A 65 -6.132 3.011 -8.476 1.00 10.00 C ATOM 997 SD MET A 65 -6.076 3.200 -10.277 1.00 10.00 S ATOM 998 CE MET A 65 -7.613 4.109 -10.559 1.00 10.00 C ATOM 0 H MET A 65 -6.073 3.121 -5.510 1.00 10.00 H new ATOM 0 HA MET A 65 -4.026 3.851 -7.128 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.977 4.482 -7.149 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.937 5.154 -8.389 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.313 2.362 -8.167 1.00 10.00 H new ATOM 0 HG3 MET A 65 -7.059 2.505 -8.206 1.00 10.00 H new ATOM 0 HE1 MET A 65 -7.738 4.290 -11.627 1.00 10.00 H new ATOM 0 HE2 MET A 65 -8.455 3.524 -10.189 1.00 10.00 H new ATOM 0 HE3 MET A 65 -7.574 5.062 -10.031 1.00 10.00 H new ATOM 1008 N GLU A 66 -5.125 6.605 -5.599 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.607 7.943 -5.327 1.00 10.00 C ATOM 1010 C GLU A 66 -3.417 7.822 -4.385 1.00 10.00 C ATOM 1011 O GLU A 66 -2.364 8.394 -4.648 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.656 8.913 -4.763 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.398 9.719 -5.844 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.826 11.099 -5.334 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -5.923 11.917 -5.035 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -8.051 11.326 -5.258 1.00 10.00 O ATOM 0 H GLU A 66 -5.997 6.357 -5.131 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.302 8.377 -6.279 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.384 8.348 -4.180 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.167 9.605 -4.078 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -5.753 9.838 -6.715 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -7.277 9.164 -6.171 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.572 7.081 -3.287 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.573 7.038 -2.228 1.00 10.00 C ATOM 1025 C TYR A 67 -1.170 6.723 -2.760 1.00 10.00 C ATOM 1026 O TYR A 67 -0.217 7.451 -2.487 1.00 10.00 O ATOM 1027 CB TYR A 67 -3.016 6.028 -1.164 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.292 6.127 0.170 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.161 7.370 0.819 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.828 4.961 0.812 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.574 7.449 2.093 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -1.314 5.033 2.119 1.00 10.00 C ATOM 1033 CZ TYR A 67 -1.185 6.278 2.758 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.978 6.319 4.104 1.00 10.00 O ATOM 0 H TYR A 67 -4.390 6.498 -3.111 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.502 8.028 -1.778 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -4.084 6.155 -0.989 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.876 5.023 -1.561 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.514 8.268 0.334 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.867 4.011 0.299 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.423 8.411 2.560 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -1.018 4.130 2.632 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.503 5.510 4.387 1.00 10.00 H new ATOM 1044 N LEU A 68 -1.047 5.664 -3.563 1.00 10.00 N ATOM 1045 CA LEU A 68 0.200 5.244 -4.193 1.00 10.00 C ATOM 1046 C LEU A 68 0.801 6.332 -5.081 1.00 10.00 C ATOM 1047 O LEU A 68 2.007 6.328 -5.327 1.00 10.00 O ATOM 1048 CB LEU A 68 -0.046 3.993 -5.046 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.542 2.782 -4.251 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.727 1.596 -5.204 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.397 2.435 -3.100 1.00 10.00 C ATOM 0 H LEU A 68 -1.835 5.061 -3.797 1.00 10.00 H new ATOM 0 HA LEU A 68 0.907 5.034 -3.391 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.777 4.231 -5.819 1.00 10.00 H new ATOM 0 HB3 LEU A 68 0.880 3.726 -5.555 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.502 3.029 -3.798 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -1.080 0.730 -4.643 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -1.458 1.855 -5.970 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.225 1.358 -5.677 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.009 1.570 -2.562 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.386 2.202 -3.495 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.468 3.284 -2.420 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.042 7.232 -5.586 1.00 10.00 N ATOM 1064 CA GLU A 69 0.327 8.318 -6.473 1.00 10.00 C ATOM 1065 C GLU A 69 0.391 9.644 -5.700 1.00 10.00 C ATOM 1066 O GLU A 69 0.710 10.683 -6.272 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.658 8.295 -7.657 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.037 8.594 -9.034 1.00 10.00 C ATOM 1069 CD GLU A 69 -0.444 9.961 -9.562 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -1.665 10.121 -9.779 1.00 10.00 O ATOM 1071 OE2 GLU A 69 0.466 10.791 -9.768 1.00 10.00 O ATOM 0 H GLU A 69 -1.040 7.218 -5.375 1.00 10.00 H new ATOM 0 HA GLU A 69 1.331 8.201 -6.881 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.132 7.314 -7.695 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.447 9.023 -7.467 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.049 8.544 -8.960 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.344 7.826 -9.744 1.00 10.00 H new ATOM 1078 N ASN A 70 0.114 9.637 -4.386 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.033 10.863 -3.614 1.00 10.00 C ATOM 1080 C ASN A 70 -0.166 10.569 -2.109 1.00 10.00 C ATOM 1081 O ASN A 70 -1.193 10.859 -1.497 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.213 11.676 -4.194 1.00 10.00 C ATOM 1083 CG ASN A 70 -0.759 12.965 -4.877 1.00 10.00 C ATOM 1084 OD1 ASN A 70 0.226 13.595 -4.472 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -1.497 13.384 -5.901 1.00 10.00 N ATOM 0 H ASN A 70 -0.012 8.784 -3.841 1.00 10.00 H new ATOM 0 HA ASN A 70 0.867 11.472 -3.701 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.755 11.061 -4.912 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.910 11.920 -3.392 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -1.258 14.252 -6.381 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.302 12.838 -6.207 1.00 10.00 H new ATOM 1092 N PRO A 71 0.889 10.038 -1.468 1.00 10.00 N ATOM 1093 CA PRO A 71 0.822 9.619 -0.075 1.00 10.00 C ATOM 1094 C PRO A 71 0.678 10.829 0.853 1.00 10.00 C ATOM 1095 O PRO A 71 -0.320 10.970 1.557 1.00 10.00 O ATOM 1096 CB PRO A 71 2.098 8.805 0.170 1.00 10.00 C ATOM 1097 CG PRO A 71 3.081 9.292 -0.899 1.00 10.00 C ATOM 1098 CD PRO A 71 2.175 9.697 -2.061 1.00 10.00 C ATOM 0 HA PRO A 71 -0.055 9.008 0.138 1.00 10.00 H new ATOM 0 HB2 PRO A 71 2.489 8.974 1.174 1.00 10.00 H new ATOM 0 HB3 PRO A 71 1.909 7.735 0.077 1.00 10.00 H new ATOM 0 HG2 PRO A 71 3.677 10.133 -0.543 1.00 10.00 H new ATOM 0 HG3 PRO A 71 3.779 8.507 -1.189 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.592 10.546 -2.603 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.071 8.882 -2.777 1.00 10.00 H new ATOM 1106 N LYS A 72 1.665 11.731 0.822 1.00 10.00 N ATOM 1107 CA LYS A 72 1.653 12.966 1.594 1.00 10.00 C ATOM 1108 C LYS A 72 0.374 13.777 1.374 1.00 10.00 C ATOM 1109 O LYS A 72 -0.066 14.496 2.265 1.00 10.00 O ATOM 1110 CB LYS A 72 2.908 13.806 1.295 1.00 10.00 C ATOM 1111 CG LYS A 72 3.000 14.471 -0.097 1.00 10.00 C ATOM 1112 CD LYS A 72 3.208 13.477 -1.255 1.00 10.00 C ATOM 1113 CE LYS A 72 3.630 14.140 -2.582 1.00 10.00 C ATOM 1114 NZ LYS A 72 2.495 14.607 -3.418 1.00 10.00 N ATOM 0 H LYS A 72 2.503 11.617 0.251 1.00 10.00 H new ATOM 0 HA LYS A 72 1.668 12.690 2.648 1.00 10.00 H new ATOM 0 HB2 LYS A 72 2.977 14.590 2.049 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.781 13.165 1.421 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.087 15.038 -0.278 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.823 15.185 -0.093 1.00 10.00 H new ATOM 0 HD2 LYS A 72 3.968 12.751 -0.965 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.283 12.923 -1.415 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.277 14.989 -2.361 1.00 10.00 H new ATOM 0 HE3 LYS A 72 4.222 13.429 -3.158 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 2.851 14.915 -4.346 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 1.817 13.829 -3.548 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 2.022 15.404 -2.947 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.203 13.678 0.173 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.387 14.432 -0.195 1.00 10.00 C ATOM 1130 C LYS A 73 -2.571 14.039 0.692 1.00 10.00 C ATOM 1131 O LYS A 73 -3.348 14.901 1.089 1.00 10.00 O ATOM 1132 CB LYS A 73 -1.719 14.194 -1.674 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.230 15.479 -2.341 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.184 15.193 -3.515 1.00 10.00 C ATOM 1135 CE LYS A 73 -4.426 16.092 -3.418 1.00 10.00 C ATOM 1136 NZ LYS A 73 -5.446 15.745 -4.431 1.00 10.00 N ATOM 0 H LYS A 73 0.145 13.069 -0.568 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.189 15.493 -0.046 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -0.831 13.838 -2.196 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.474 13.412 -1.759 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -2.744 16.090 -1.599 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.381 16.061 -2.700 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -2.672 15.368 -4.461 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -3.483 14.145 -3.504 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -4.860 16.003 -2.422 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -4.130 17.133 -3.545 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -6.266 16.377 -4.329 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -5.041 15.855 -5.383 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -5.749 14.759 -4.295 1.00 10.00 H new ATOM 1150 N TYR A 74 -2.715 12.739 0.979 1.00 10.00 N ATOM 1151 CA TYR A 74 -3.768 12.253 1.862 1.00 10.00 C ATOM 1152 C TYR A 74 -3.567 12.831 3.261 1.00 10.00 C ATOM 1153 O TYR A 74 -4.505 13.355 3.856 1.00 10.00 O ATOM 1154 CB TYR A 74 -3.768 10.717 1.916 1.00 10.00 C ATOM 1155 CG TYR A 74 -4.656 10.011 0.907 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -4.800 10.500 -0.405 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -5.373 8.866 1.305 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -5.725 9.901 -1.277 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -6.240 8.224 0.405 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.436 8.758 -0.878 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.336 8.188 -1.725 1.00 10.00 O ATOM 0 H TYR A 74 -2.110 12.007 0.608 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.733 12.578 1.472 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -2.745 10.369 1.774 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.074 10.409 2.916 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -4.201 11.334 -0.741 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -5.256 8.480 2.307 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -5.890 10.322 -2.258 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -6.755 7.321 0.700 1.00 10.00 H new ATOM 0 HH TYR A 74 -6.957 7.365 -2.099 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.349 12.703 3.795 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.026 13.161 5.138 1.00 10.00 C ATOM 1173 C ILE A 75 -0.515 13.436 5.221 1.00 10.00 C ATOM 1174 O ILE A 75 0.280 12.488 5.185 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.566 12.162 6.191 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.197 12.546 7.635 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.138 10.709 5.950 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -2.978 13.761 8.142 1.00 10.00 C ATOM 0 H ILE A 75 -1.563 12.278 3.303 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.523 14.104 5.366 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.647 12.228 6.065 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -2.387 11.697 8.292 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -1.129 12.758 7.689 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.556 10.072 6.730 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.503 10.379 4.977 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.050 10.642 5.972 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -2.677 13.986 9.165 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -2.768 14.620 7.505 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -4.046 13.543 8.118 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.088 14.712 5.319 1.00 10.00 N ATOM 1191 CA PRO A 76 1.322 15.084 5.320 1.00 10.00 C ATOM 1192 C PRO A 76 1.969 14.817 6.688 1.00 10.00 C ATOM 1193 O PRO A 76 2.479 15.720 7.344 1.00 10.00 O ATOM 1194 CB PRO A 76 1.351 16.559 4.899 1.00 10.00 C ATOM 1195 CG PRO A 76 0.025 17.097 5.427 1.00 10.00 C ATOM 1196 CD PRO A 76 -0.919 15.909 5.246 1.00 10.00 C ATOM 0 HA PRO A 76 1.915 14.485 4.628 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.201 17.085 5.333 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.428 16.668 3.817 1.00 10.00 H new ATOM 0 HG2 PRO A 76 0.099 17.400 6.472 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.310 17.969 4.865 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.685 15.899 6.022 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.436 15.966 4.288 1.00 10.00 H new ATOM 1204 N GLY A 77 1.981 13.546 7.093 1.00 10.00 N ATOM 1205 CA GLY A 77 2.717 13.026 8.238 1.00 10.00 C ATOM 1206 C GLY A 77 2.695 11.502 8.161 1.00 10.00 C ATOM 1207 O GLY A 77 2.389 10.831 9.143 1.00 10.00 O ATOM 0 H GLY A 77 1.453 12.821 6.607 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.743 13.393 8.230 1.00 10.00 H new ATOM 0 HA3 GLY A 77 2.264 13.367 9.169 1.00 10.00 H new ATOM 1211 N THR A 78 2.997 10.967 6.970 1.00 10.00 N ATOM 1212 CA THR A 78 3.094 9.531 6.733 1.00 10.00 C ATOM 1213 C THR A 78 4.568 9.139 6.624 1.00 10.00 C ATOM 1214 O THR A 78 5.084 8.413 7.467 1.00 10.00 O ATOM 1215 CB THR A 78 2.302 9.125 5.474 1.00 10.00 C ATOM 1216 OG1 THR A 78 1.013 9.701 5.444 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.120 7.605 5.434 1.00 10.00 C ATOM 0 H THR A 78 3.182 11.530 6.140 1.00 10.00 H new ATOM 0 HA THR A 78 2.650 8.994 7.571 1.00 10.00 H new ATOM 0 HB THR A 78 2.877 9.482 4.620 1.00 10.00 H new ATOM 0 HG1 THR A 78 1.091 10.672 5.332 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.559 7.329 4.541 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.097 7.122 5.413 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.574 7.281 6.320 1.00 10.00 H new ATOM 1225 N LYS A 79 5.229 9.611 5.561 1.00 10.00 N ATOM 1226 CA LYS A 79 6.593 9.251 5.196 1.00 10.00 C ATOM 1227 C LYS A 79 6.998 10.030 3.944 1.00 10.00 C ATOM 1228 O LYS A 79 8.017 10.711 3.953 1.00 10.00 O ATOM 1229 CB LYS A 79 6.753 7.726 5.017 1.00 10.00 C ATOM 1230 CG LYS A 79 5.720 7.046 4.095 1.00 10.00 C ATOM 1231 CD LYS A 79 5.296 5.673 4.646 1.00 10.00 C ATOM 1232 CE LYS A 79 6.267 4.554 4.271 1.00 10.00 C ATOM 1233 NZ LYS A 79 6.057 4.116 2.878 1.00 10.00 N ATOM 0 H LYS A 79 4.809 10.277 4.912 1.00 10.00 H new ATOM 0 HA LYS A 79 7.266 9.526 6.008 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.750 7.528 4.623 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.700 7.256 5.999 1.00 10.00 H new ATOM 0 HG2 LYS A 79 4.843 7.686 3.993 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.144 6.925 3.098 1.00 10.00 H new ATOM 0 HD2 LYS A 79 5.219 5.731 5.732 1.00 10.00 H new ATOM 0 HD3 LYS A 79 4.303 5.427 4.269 1.00 10.00 H new ATOM 0 HE2 LYS A 79 7.293 4.901 4.396 1.00 10.00 H new ATOM 0 HE3 LYS A 79 6.132 3.709 4.946 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 6.907 3.623 2.537 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 5.243 3.470 2.836 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 5.873 4.945 2.277 1.00 10.00 H new ATOM 1247 N MET A 80 6.161 9.944 2.900 1.00 10.00 N ATOM 1248 CA MET A 80 6.394 10.459 1.552 1.00 10.00 C ATOM 1249 C MET A 80 7.458 9.618 0.838 1.00 10.00 C ATOM 1250 O MET A 80 8.373 9.112 1.482 1.00 10.00 O ATOM 1251 CB MET A 80 6.637 11.985 1.546 1.00 10.00 C ATOM 1252 CG MET A 80 8.101 12.439 1.396 1.00 10.00 C ATOM 1253 SD MET A 80 8.750 12.531 -0.293 1.00 10.00 S ATOM 1254 CE MET A 80 7.833 13.948 -0.945 1.00 10.00 C ATOM 0 H MET A 80 5.253 9.486 2.983 1.00 10.00 H new ATOM 0 HA MET A 80 5.487 10.346 0.959 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.058 12.421 0.732 1.00 10.00 H new ATOM 0 HB3 MET A 80 6.243 12.398 2.475 1.00 10.00 H new ATOM 0 HG2 MET A 80 8.202 13.423 1.854 1.00 10.00 H new ATOM 0 HG3 MET A 80 8.730 11.756 1.966 1.00 10.00 H new ATOM 0 HE1 MET A 80 8.282 14.271 -1.884 1.00 10.00 H new ATOM 0 HE2 MET A 80 6.796 13.661 -1.119 1.00 10.00 H new ATOM 0 HE3 MET A 80 7.868 14.766 -0.226 1.00 10.00 H new ATOM 1264 N ILE A 81 7.313 9.416 -0.477 1.00 10.00 N ATOM 1265 CA ILE A 81 8.311 8.742 -1.301 1.00 10.00 C ATOM 1266 C ILE A 81 8.334 9.405 -2.686 1.00 10.00 C ATOM 1267 O ILE A 81 7.998 10.583 -2.798 1.00 10.00 O ATOM 1268 CB ILE A 81 8.126 7.199 -1.317 1.00 10.00 C ATOM 1269 CG1 ILE A 81 6.784 6.743 -1.921 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.321 6.575 0.072 1.00 10.00 C ATOM 1271 CD1 ILE A 81 6.660 5.213 -1.955 1.00 10.00 C ATOM 0 H ILE A 81 6.491 9.720 -0.999 1.00 10.00 H new ATOM 0 HA ILE A 81 9.302 8.867 -0.864 1.00 10.00 H new ATOM 0 HB ILE A 81 8.913 6.833 -1.976 1.00 10.00 H new ATOM 0 HG12 ILE A 81 5.963 7.161 -1.338 1.00 10.00 H new ATOM 0 HG13 ILE A 81 6.689 7.137 -2.933 1.00 10.00 H new ATOM 0 HG21 ILE A 81 8.182 5.496 0.009 1.00 10.00 H new ATOM 0 HG22 ILE A 81 9.328 6.790 0.430 1.00 10.00 H new ATOM 0 HG23 ILE A 81 7.592 6.995 0.765 1.00 10.00 H new ATOM 0 HD11 ILE A 81 5.699 4.935 -2.388 1.00 10.00 H new ATOM 0 HD12 ILE A 81 7.465 4.796 -2.560 1.00 10.00 H new ATOM 0 HD13 ILE A 81 6.728 4.820 -0.941 1.00 10.00 H new ATOM 1283 N PHE A 82 8.731 8.665 -3.727 1.00 10.00 N ATOM 1284 CA PHE A 82 8.788 9.116 -5.111 1.00 10.00 C ATOM 1285 C PHE A 82 7.494 9.805 -5.573 1.00 10.00 C ATOM 1286 O PHE A 82 6.443 9.679 -4.941 1.00 10.00 O ATOM 1287 CB PHE A 82 9.161 7.915 -6.003 1.00 10.00 C ATOM 1288 CG PHE A 82 8.440 6.603 -5.706 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.039 6.526 -5.810 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.166 5.449 -5.349 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.373 5.304 -5.622 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.499 4.226 -5.147 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.104 4.149 -5.302 1.00 10.00 C ATOM 0 H PHE A 82 9.033 7.697 -3.618 1.00 10.00 H new ATOM 0 HA PHE A 82 9.556 9.885 -5.196 1.00 10.00 H new ATOM 0 HB2 PHE A 82 8.966 8.186 -7.041 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.234 7.743 -5.915 1.00 10.00 H new ATOM 0 HD1 PHE A 82 6.470 7.416 -6.037 1.00 10.00 H new ATOM 0 HD2 PHE A 82 10.238 5.503 -5.230 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.299 5.253 -5.724 1.00 10.00 H new ATOM 0 HE2 PHE A 82 9.060 3.345 -4.872 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.596 3.204 -5.175 1.00 10.00 H new ATOM 1303 N ALA A 83 7.565 10.512 -6.707 1.00 10.00 N ATOM 1304 CA ALA A 83 6.449 11.237 -7.304 1.00 10.00 C ATOM 1305 C ALA A 83 5.455 10.259 -7.934 1.00 10.00 C ATOM 1306 O ALA A 83 5.285 10.220 -9.150 1.00 10.00 O ATOM 1307 CB ALA A 83 6.983 12.239 -8.334 1.00 10.00 C ATOM 0 H ALA A 83 8.427 10.595 -7.246 1.00 10.00 H new ATOM 0 HA ALA A 83 5.917 11.791 -6.530 1.00 10.00 H new ATOM 0 HB1 ALA A 83 6.149 12.781 -8.780 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.653 12.944 -7.842 1.00 10.00 H new ATOM 0 HB3 ALA A 83 7.527 11.705 -9.113 1.00 10.00 H new ATOM 1313 N GLY A 84 4.811 9.460 -7.086 1.00 10.00 N ATOM 1314 CA GLY A 84 3.920 8.400 -7.499 1.00 10.00 C ATOM 1315 C GLY A 84 4.657 7.281 -8.227 1.00 10.00 C ATOM 1316 O GLY A 84 5.865 7.360 -8.445 1.00 10.00 O ATOM 0 H GLY A 84 4.902 9.540 -6.073 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.414 7.991 -6.624 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.148 8.809 -8.151 1.00 10.00 H new ATOM 1320 N ILE A 85 3.938 6.206 -8.565 1.00 10.00 N ATOM 1321 CA ILE A 85 4.523 5.046 -9.223 1.00 10.00 C ATOM 1322 C ILE A 85 5.266 5.472 -10.484 1.00 10.00 C ATOM 1323 O ILE A 85 6.498 5.506 -10.477 1.00 10.00 O ATOM 1324 CB ILE A 85 3.452 3.960 -9.455 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.292 3.110 -8.212 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.644 3.030 -10.670 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.559 2.347 -7.852 1.00 10.00 C ATOM 0 H ILE A 85 2.937 6.121 -8.388 1.00 10.00 H new ATOM 0 HA ILE A 85 5.272 4.588 -8.576 1.00 10.00 H new ATOM 0 HB ILE A 85 2.557 4.538 -9.685 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.007 3.748 -7.375 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.478 2.402 -8.364 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.822 2.316 -10.715 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.659 3.624 -11.584 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.587 2.492 -10.571 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.385 1.756 -6.953 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.832 1.686 -8.674 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.370 3.053 -7.670 1.00 10.00 H new ATOM 1339 N LYS A 86 4.530 5.728 -11.565 1.00 10.00 N ATOM 1340 CA LYS A 86 5.052 6.299 -12.802 1.00 10.00 C ATOM 1341 C LYS A 86 4.057 7.276 -13.432 1.00 10.00 C ATOM 1342 O LYS A 86 4.443 8.353 -13.875 1.00 10.00 O ATOM 1343 CB LYS A 86 5.407 5.202 -13.819 1.00 10.00 C ATOM 1344 CG LYS A 86 6.171 4.026 -13.202 1.00 10.00 C ATOM 1345 CD LYS A 86 7.122 3.385 -14.209 1.00 10.00 C ATOM 1346 CE LYS A 86 8.553 3.919 -14.011 1.00 10.00 C ATOM 1347 NZ LYS A 86 9.523 3.334 -14.960 1.00 10.00 N ATOM 0 H LYS A 86 3.529 5.538 -11.604 1.00 10.00 H new ATOM 0 HA LYS A 86 5.959 6.843 -12.539 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.490 4.830 -14.277 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.008 5.637 -14.617 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.736 4.372 -12.336 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.463 3.279 -12.843 1.00 10.00 H new ATOM 0 HD2 LYS A 86 7.112 2.302 -14.090 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.785 3.597 -15.224 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.550 5.003 -14.125 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.877 3.707 -12.992 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 10.467 3.730 -14.779 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 9.551 2.302 -14.836 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 9.234 3.558 -15.934 1.00 10.00 H new ATOM 1361 N LYS A 87 2.800 6.845 -13.558 1.00 10.00 N ATOM 1362 CA LYS A 87 1.700 7.564 -14.177 1.00 10.00 C ATOM 1363 C LYS A 87 0.422 6.827 -13.773 1.00 10.00 C ATOM 1364 O LYS A 87 0.315 6.423 -12.619 1.00 10.00 O ATOM 1365 CB LYS A 87 1.927 7.689 -15.696 1.00 10.00 C ATOM 1366 CG LYS A 87 2.155 6.353 -16.431 1.00 10.00 C ATOM 1367 CD LYS A 87 3.140 6.474 -17.604 1.00 10.00 C ATOM 1368 CE LYS A 87 4.510 7.004 -17.146 1.00 10.00 C ATOM 1369 NZ LYS A 87 5.632 6.412 -17.900 1.00 10.00 N ATOM 0 H LYS A 87 2.513 5.931 -13.208 1.00 10.00 H new ATOM 0 HA LYS A 87 1.620 8.596 -13.836 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.064 8.187 -16.138 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.789 8.333 -15.868 1.00 10.00 H new ATOM 0 HG2 LYS A 87 2.531 5.615 -15.723 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.200 5.981 -16.802 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.266 5.499 -18.075 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.726 7.142 -18.359 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.532 8.088 -17.261 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.640 6.793 -16.084 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 6.530 6.804 -17.551 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 5.631 5.380 -17.771 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 5.527 6.634 -18.910 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.497 6.578 -14.710 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.790 5.957 -14.437 1.00 10.00 C ATOM 1385 C LYS A 88 -1.868 4.505 -14.907 1.00 10.00 C ATOM 1386 O LYS A 88 -2.836 3.828 -14.584 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.936 6.811 -15.004 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.936 6.953 -16.535 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.277 7.562 -16.981 1.00 10.00 C ATOM 1390 CE LYS A 88 -4.411 7.711 -18.504 1.00 10.00 C ATOM 1391 NZ LYS A 88 -3.512 8.744 -19.061 1.00 10.00 N ATOM 0 H LYS A 88 -0.358 6.807 -15.694 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.902 5.919 -13.353 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.885 6.373 -14.694 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.883 7.805 -14.561 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.109 7.588 -16.854 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -2.790 5.980 -17.004 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -5.090 6.937 -16.613 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -4.393 8.542 -16.517 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -4.195 6.754 -18.978 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -5.443 7.963 -18.750 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -3.645 8.801 -20.091 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -3.733 9.665 -18.632 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -2.524 8.494 -18.853 1.00 10.00 H new ATOM 1405 N THR A 89 -0.870 4.034 -15.658 1.00 10.00 N ATOM 1406 CA THR A 89 -0.858 2.704 -16.253 1.00 10.00 C ATOM 1407 C THR A 89 -0.208 1.714 -15.284 1.00 10.00 C ATOM 1408 O THR A 89 -0.882 0.882 -14.688 1.00 10.00 O ATOM 1409 CB THR A 89 -0.131 2.788 -17.605 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.678 3.865 -18.345 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.266 1.478 -18.387 1.00 10.00 C ATOM 0 H THR A 89 -0.035 4.579 -15.871 1.00 10.00 H new ATOM 0 HA THR A 89 -1.869 2.340 -16.437 1.00 10.00 H new ATOM 0 HB THR A 89 0.932 2.956 -17.433 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.223 3.932 -19.210 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.258 1.567 -19.339 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.168 0.663 -17.809 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.320 1.271 -18.571 1.00 10.00 H new ATOM 1419 N GLU A 90 1.101 1.867 -15.069 1.00 10.00 N ATOM 1420 CA GLU A 90 1.895 1.028 -14.188 1.00 10.00 C ATOM 1421 C GLU A 90 1.227 0.806 -12.828 1.00 10.00 C ATOM 1422 O GLU A 90 1.191 -0.309 -12.324 1.00 10.00 O ATOM 1423 CB GLU A 90 3.257 1.700 -14.024 1.00 10.00 C ATOM 1424 CG GLU A 90 4.224 1.312 -15.166 1.00 10.00 C ATOM 1425 CD GLU A 90 5.283 0.285 -14.758 1.00 10.00 C ATOM 1426 OE1 GLU A 90 5.811 0.430 -13.635 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.610 -0.580 -15.605 1.00 10.00 O ATOM 0 H GLU A 90 1.647 2.601 -15.519 1.00 10.00 H new ATOM 0 HA GLU A 90 1.999 0.037 -14.630 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.130 2.782 -14.006 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.691 1.414 -13.066 1.00 10.00 H new ATOM 0 HG2 GLU A 90 3.646 0.912 -15.999 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.724 2.211 -15.527 1.00 10.00 H new ATOM 1434 N ARG A 91 0.701 1.863 -12.209 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.025 1.731 -10.957 1.00 10.00 C ATOM 1436 C ARG A 91 -1.227 0.793 -11.093 1.00 10.00 C ATOM 1437 O ARG A 91 -1.482 -0.036 -10.223 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.450 3.114 -10.471 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.279 3.976 -11.436 1.00 10.00 C ATOM 1440 CD ARG A 91 -2.806 3.825 -11.299 1.00 10.00 C ATOM 1441 NE ARG A 91 -3.505 5.119 -11.429 1.00 10.00 N ATOM 1442 CZ ARG A 91 -3.442 6.099 -10.510 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -2.674 5.911 -9.440 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -4.120 7.242 -10.654 1.00 10.00 N ATOM 0 H ARG A 91 0.767 2.819 -12.559 1.00 10.00 H new ATOM 0 HA ARG A 91 0.636 1.281 -10.216 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.025 2.987 -9.553 1.00 10.00 H new ATOM 0 HB3 ARG A 91 0.450 3.671 -10.209 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.017 5.023 -11.280 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.995 3.725 -12.458 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -3.172 3.137 -12.062 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -3.041 3.382 -10.331 1.00 10.00 H new ATOM 0 HE ARG A 91 -4.068 5.279 -12.264 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -2.152 5.041 -9.333 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -2.607 6.637 -8.727 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -4.704 7.388 -11.477 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -4.053 7.968 -9.941 1.00 10.00 H new ATOM 1458 N GLU A 92 -1.957 0.924 -12.199 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.116 0.088 -12.500 1.00 10.00 C ATOM 1460 C GLU A 92 -2.647 -1.368 -12.567 1.00 10.00 C ATOM 1461 O GLU A 92 -3.231 -2.274 -11.968 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.748 0.548 -13.830 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.252 0.833 -13.730 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.082 -0.438 -13.636 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -5.829 -1.346 -14.462 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.963 -0.485 -12.756 1.00 10.00 O ATOM 0 H GLU A 92 -1.758 1.620 -12.918 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.879 0.177 -11.727 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.238 1.449 -14.172 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.582 -0.219 -14.586 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.443 1.453 -12.854 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.568 1.406 -14.602 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.537 -1.573 -13.279 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.920 -2.884 -13.424 1.00 10.00 C ATOM 1475 C ASP A 93 -0.584 -3.436 -12.034 1.00 10.00 C ATOM 1476 O ASP A 93 -0.943 -4.558 -11.683 1.00 10.00 O ATOM 1477 CB ASP A 93 0.300 -2.803 -14.356 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.024 -2.283 -15.753 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.069 -2.706 -16.295 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.778 -1.470 -16.262 1.00 10.00 O ATOM 0 H ASP A 93 -1.043 -0.829 -13.771 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.613 -3.581 -13.895 1.00 10.00 H new ATOM 0 HB2 ASP A 93 1.049 -2.155 -13.902 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.746 -3.794 -14.442 1.00 10.00 H new ATOM 1485 N LEU A 94 0.048 -2.601 -11.209 1.00 10.00 N ATOM 1486 CA LEU A 94 0.337 -2.874 -9.808 1.00 10.00 C ATOM 1487 C LEU A 94 -0.902 -3.420 -9.092 1.00 10.00 C ATOM 1488 O LEU A 94 -0.866 -4.537 -8.570 1.00 10.00 O ATOM 1489 CB LEU A 94 0.873 -1.597 -9.140 1.00 10.00 C ATOM 1490 CG LEU A 94 2.035 -1.859 -8.184 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.649 -0.535 -7.756 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.627 -2.647 -6.957 1.00 10.00 C ATOM 0 H LEU A 94 0.383 -1.686 -11.511 1.00 10.00 H new ATOM 0 HA LEU A 94 1.105 -3.645 -9.738 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.197 -0.899 -9.912 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.063 -1.114 -8.593 1.00 10.00 H new ATOM 0 HG LEU A 94 2.762 -2.465 -8.725 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.478 -0.722 -7.074 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.015 -0.003 -8.634 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.895 0.070 -7.253 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.496 -2.800 -6.317 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.865 -2.095 -6.407 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.226 -3.614 -7.262 1.00 10.00 H new ATOM 1504 N ILE A 95 -1.995 -2.645 -9.088 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.273 -3.045 -8.514 1.00 10.00 C ATOM 1506 C ILE A 95 -3.658 -4.449 -8.977 1.00 10.00 C ATOM 1507 O ILE A 95 -4.055 -5.273 -8.155 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.362 -1.998 -8.849 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.468 -0.936 -7.746 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.754 -2.618 -9.062 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.240 -0.042 -7.588 1.00 10.00 C ATOM 0 H ILE A 95 -2.009 -1.708 -9.492 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.180 -3.083 -7.429 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.044 -1.542 -9.787 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.333 -0.306 -7.952 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.658 -1.438 -6.797 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.471 -1.831 -9.293 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.714 -3.327 -9.889 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.064 -3.136 -8.155 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.412 0.674 -6.785 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.372 -0.655 -7.347 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.058 0.494 -8.519 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.568 -4.723 -10.282 1.00 10.00 N ATOM 1524 CA ALA A 96 -3.963 -6.017 -10.824 1.00 10.00 C ATOM 1525 C ALA A 96 -3.248 -7.166 -10.127 1.00 10.00 C ATOM 1526 O ALA A 96 -3.886 -8.142 -9.736 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.697 -6.079 -12.318 1.00 10.00 C ATOM 0 H ALA A 96 -3.224 -4.062 -10.979 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.033 -6.125 -10.644 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.999 -7.054 -12.701 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.267 -5.298 -12.822 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.634 -5.930 -12.505 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.926 -7.058 -9.974 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.200 -8.063 -9.217 1.00 10.00 C ATOM 1535 C TYR A 97 -1.696 -8.085 -7.786 1.00 10.00 C ATOM 1536 O TYR A 97 -2.170 -9.117 -7.320 1.00 10.00 O ATOM 1537 CB TYR A 97 0.301 -7.810 -9.228 1.00 10.00 C ATOM 1538 CG TYR A 97 1.065 -8.722 -8.286 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.032 -10.116 -8.484 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.780 -8.188 -7.197 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.745 -10.969 -7.624 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.543 -9.037 -6.376 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.519 -10.426 -6.583 1.00 10.00 C ATOM 1544 OH TYR A 97 3.253 -11.243 -5.777 1.00 10.00 O ATOM 0 H TYR A 97 -1.355 -6.304 -10.355 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.381 -9.027 -9.693 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.679 -7.945 -10.241 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.491 -6.772 -8.953 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.457 -10.531 -9.299 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.742 -7.128 -6.993 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.699 -12.039 -7.762 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.149 -8.620 -5.585 1.00 10.00 H new ATOM 0 HH TYR A 97 3.729 -10.704 -5.111 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.542 -6.950 -7.101 1.00 10.00 N ATOM 1555 CA LEU A 98 -1.894 -6.775 -5.702 1.00 10.00 C ATOM 1556 C LEU A 98 -3.212 -7.488 -5.378 1.00 10.00 C ATOM 1557 O LEU A 98 -3.250 -8.302 -4.458 1.00 10.00 O ATOM 1558 CB LEU A 98 -1.897 -5.271 -5.365 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.030 -4.909 -4.146 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.031 -3.816 -4.506 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.858 -4.387 -2.971 1.00 10.00 C ATOM 0 H LEU A 98 -1.157 -6.105 -7.523 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.148 -7.245 -5.061 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.542 -4.713 -6.231 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -2.922 -4.951 -5.178 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.527 -5.831 -3.855 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.573 -3.573 -3.632 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.617 -4.166 -5.309 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.568 -2.926 -4.835 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.197 -4.147 -2.138 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.398 -3.490 -3.276 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.570 -5.151 -2.660 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.269 -7.231 -6.155 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.560 -7.894 -6.013 1.00 10.00 C ATOM 1575 C LYS A 99 -5.427 -9.401 -5.817 1.00 10.00 C ATOM 1576 O LYS A 99 -5.992 -9.942 -4.869 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.463 -7.609 -7.219 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.198 -6.276 -7.058 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.426 -6.218 -7.969 1.00 10.00 C ATOM 1580 CE LYS A 99 -8.053 -6.065 -9.447 1.00 10.00 C ATOM 1581 NZ LYS A 99 -9.231 -5.667 -10.240 1.00 10.00 N ATOM 0 H LYS A 99 -4.247 -6.546 -6.910 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.017 -7.481 -5.114 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.863 -7.589 -8.129 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.188 -8.415 -7.333 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.504 -6.147 -6.020 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.524 -5.453 -7.296 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -9.015 -7.126 -7.838 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.058 -5.382 -7.669 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -7.266 -5.318 -9.554 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -7.653 -7.005 -9.826 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -9.074 -5.907 -11.240 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -10.071 -6.171 -9.891 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -9.380 -4.642 -10.149 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.704 -10.086 -6.705 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.469 -11.493 -6.537 1.00 10.00 C ATOM 1597 C LYS A 100 -3.564 -11.670 -5.319 1.00 10.00 C ATOM 1598 O LYS A 100 -3.983 -12.271 -4.343 1.00 10.00 O ATOM 1599 CB LYS A 100 -3.864 -12.054 -7.830 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.606 -13.554 -7.672 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.537 -14.417 -8.532 1.00 10.00 C ATOM 1602 CE LYS A 100 -4.110 -14.435 -10.007 1.00 10.00 C ATOM 1603 NZ LYS A 100 -3.281 -15.617 -10.323 1.00 10.00 N ATOM 0 H LYS A 100 -4.280 -9.678 -7.538 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.389 -12.049 -6.355 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.541 -11.878 -8.666 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -2.932 -11.538 -8.061 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.571 -13.769 -7.939 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.729 -13.830 -6.625 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.546 -15.436 -8.145 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.556 -14.038 -8.455 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -4.996 -14.432 -10.642 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -3.551 -13.527 -10.235 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -3.012 -15.594 -11.327 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -2.423 -15.607 -9.735 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -3.823 -16.483 -10.129 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.352 -11.120 -5.377 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.247 -11.407 -4.470 1.00 10.00 C ATOM 1619 C ALA A 101 -1.691 -11.408 -3.011 1.00 10.00 C ATOM 1620 O ALA A 101 -1.408 -12.313 -2.232 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.171 -10.342 -4.684 1.00 10.00 C ATOM 0 H ALA A 101 -2.105 -10.433 -6.089 1.00 10.00 H new ATOM 0 HA ALA A 101 -0.862 -12.403 -4.687 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.669 -10.534 -4.016 1.00 10.00 H new ATOM 0 HB2 ALA A 101 0.173 -10.375 -5.718 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.586 -9.357 -4.471 1.00 10.00 H new ATOM 1627 N THR A 102 -2.400 -10.347 -2.642 1.00 10.00 N ATOM 1628 CA THR A 102 -2.910 -10.197 -1.300 1.00 10.00 C ATOM 1629 C THR A 102 -3.861 -11.331 -0.913 1.00 10.00 C ATOM 1630 O THR A 102 -3.799 -11.824 0.211 1.00 10.00 O ATOM 1631 CB THR A 102 -3.612 -8.852 -1.199 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.636 -8.746 -2.163 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.623 -7.696 -1.361 1.00 10.00 C ATOM 0 H THR A 102 -2.632 -9.575 -3.267 1.00 10.00 H new ATOM 0 HA THR A 102 -2.074 -10.242 -0.601 1.00 10.00 H new ATOM 0 HB THR A 102 -4.056 -8.790 -0.205 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.253 -8.456 -3.017 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.156 -6.748 -1.284 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.867 -7.752 -0.578 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.141 -7.763 -2.336 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.751 -11.700 -1.837 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.714 -12.777 -1.695 1.00 10.00 C ATOM 1643 C ASN A 103 -4.951 -14.101 -1.574 1.00 10.00 C ATOM 1644 O ASN A 103 -5.002 -14.735 -0.522 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.686 -12.717 -2.888 1.00 10.00 C ATOM 1646 CG ASN A 103 -7.921 -13.593 -2.727 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -7.871 -14.673 -2.156 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.057 -13.130 -3.245 1.00 10.00 N ATOM 0 H ASN A 103 -4.817 -11.232 -2.741 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.317 -12.683 -0.792 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.003 -11.684 -3.034 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.155 -13.018 -3.791 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.913 -13.680 -3.170 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.071 -12.226 -3.716 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.194 -14.456 -2.618 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.237 -15.551 -2.660 1.00 10.00 C ATOM 1657 C GLU A 104 -2.170 -15.206 -3.706 1.00 10.00 C ATOM 1658 O GLU A 104 -0.982 -15.496 -3.448 1.00 10.00 O ATOM 1659 CB GLU A 104 -3.920 -16.871 -3.049 1.00 10.00 C ATOM 1660 CG GLU A 104 -4.778 -17.488 -1.935 1.00 10.00 C ATOM 1661 CD GLU A 104 -5.184 -18.921 -2.263 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -4.268 -19.720 -2.558 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -6.402 -19.199 -2.215 1.00 10.00 O ATOM 1664 OXT GLU A 104 -2.565 -14.687 -4.776 1.00 10.00 O ATOM 0 H GLU A 104 -4.241 -13.953 -3.504 1.00 10.00 H new ATOM 0 HA GLU A 104 -2.794 -15.680 -1.672 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -4.548 -16.698 -3.923 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.155 -17.590 -3.344 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -4.222 -17.473 -0.997 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -5.672 -16.882 -1.786 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.023 4.950 0.811 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.348 3.661 0.599 1.00 10.00 C HETATM 1674 N3 IMD A 105 2.921 2.882 1.606 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.263 3.746 2.490 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.321 5.020 1.996 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.255 5.736 0.203 1.00 10.00 H new HETATM 0 H5 IMD A 105 1.896 5.915 2.450 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.782 3.451 3.422 1.00 10.00 H new HETATM 0 H2 IMD A 105 3.887 3.297 -0.276 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.080 0.911 1.741 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.610 1.129 4.090 1.00 10.00 C HETATM 1683 CHB HEC A 110 0.825 0.033 -0.627 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.554 1.135 -0.628 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.445 1.014 4.208 1.00 10.00 C HETATM 1686 NA HEC A 110 1.110 0.679 1.726 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.282 0.867 2.792 1.00 10.00 C HETATM 1688 C2A HEC A 110 -1.078 0.695 2.355 1.00 10.00 C HETATM 1689 C3A HEC A 110 -1.027 0.350 1.025 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.371 0.332 0.642 1.00 10.00 C HETATM 1691 CMA HEC A 110 -2.222 0.173 0.118 1.00 10.00 C HETATM 1692 CAA HEC A 110 -2.312 0.821 3.229 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.562 -0.392 4.139 1.00 10.00 C HETATM 1694 CGA HEC A 110 -3.554 -0.147 5.292 1.00 10.00 C HETATM 1695 O1A HEC A 110 -4.480 -0.978 5.451 1.00 10.00 O HETATM 1696 O2A HEC A 110 -3.374 0.862 6.013 1.00 10.00 O HETATM 1697 NB HEC A 110 3.177 0.654 -0.247 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.140 0.223 -1.013 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.641 -0.016 -2.352 1.00 10.00 C HETATM 1700 C3B HEC A 110 3.956 0.398 -2.380 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.289 0.779 -1.026 1.00 10.00 C HETATM 1702 CMB HEC A 110 1.883 -0.647 -3.500 1.00 10.00 C HETATM 1703 CAB HEC A 110 4.908 0.360 -3.573 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.356 1.038 -4.837 1.00 10.00 C HETATM 1705 NC HEC A 110 5.110 1.121 1.783 1.00 10.00 N HETATM 1706 C1C HEC A 110 5.914 1.181 0.690 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.286 1.242 1.133 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.263 1.115 2.505 1.00 10.00 C HETATM 1709 C4C HEC A 110 5.870 1.044 2.900 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.502 1.319 0.230 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.440 0.986 3.454 1.00 10.00 C HETATM 1712 CBC HEC A 110 9.765 1.686 3.106 1.00 10.00 C HETATM 1713 ND HEC A 110 3.036 1.042 3.764 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.120 1.068 4.571 1.00 10.00 C HETATM 1715 C2D HEC A 110 3.667 1.217 5.934 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.299 1.285 5.905 1.00 10.00 C HETATM 1717 C4D HEC A 110 1.906 1.145 4.524 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.521 1.469 7.149 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.414 1.652 7.080 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.660 3.091 7.560 1.00 10.00 C HETATM 1721 CGD HEC A 110 1.880 4.046 6.376 1.00 10.00 C HETATM 1722 O1D HEC A 110 3.051 4.427 6.147 1.00 10.00 O HETATM 1723 O2D HEC A 110 0.897 4.305 5.647 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.231 0.651 7.271 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.065 2.405 7.024 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 3.886 1.533 8.033 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.532 0.441 -0.415 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.443 2.218 -0.384 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.406 1.354 0.839 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.577 -1.656 -3.223 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.000 -0.049 -3.726 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.525 -0.691 -4.379 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.864 -0.615 0.512 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.782 1.107 0.068 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.883 -0.100 -0.881 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 0.808 3.430 8.150 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 2.531 3.114 8.215 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.140 1.304 2.156 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.599 2.760 3.025 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.497 1.490 3.890 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.436 0.541 -5.145 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.148 2.087 -4.626 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.092 0.968 -5.638 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.934 -1.215 3.528 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -1.610 -0.713 4.561 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.368 1.539 6.795 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 1.597 0.960 7.902 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -2.216 1.713 3.848 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -3.183 0.968 2.590 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.196 0.944 4.995 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.294 1.389 -1.387 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.119 -0.369 -1.354 1.00 10.00 H new HETATM 0 HHA HEC A 110 -0.188 1.332 4.805 1.00 10.00 H new HETATM 0 H2D HEC A 110 1.209 4.690 4.801 1.00 10.00 H new HETATM 0 H2A HEC A 110 -2.413 1.024 6.116 1.00 10.00 H new