USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD Set 1.1: A 52 ASN : amide:sc= -0.0559 K(o=1.1,f=-1.4) USER MOD Set 1.2: A 67 TYR OH : rot -133:sc= 0.942 USER MOD Set 1.3: A 78 THR OG1 : rot 167:sc= 0.217 USER MOD Set 2.1: A 48 TYR OH : rot 180:sc= 0.835 USER MOD Set 2.2: A 105 HEC O2A : rot -76:sc= 1.09 USER MOD Set 3.1: A 42 GLN : amide:sc= -0.581 K(o=0.3,f=-4.4!) USER MOD Set 3.2: A 53 LYS NZ :NH3+ 174:sc= 0.877 (180deg=1.16) USER MOD Single : A 1 GLY N :NH3+ -154:sc= -2.05 (180deg=-3.06!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 141:sc= 0.715 (180deg=-2.21!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -120:sc= 1.19 (180deg=-1.03) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 19 THR OG1 : rot -67:sc= 0.0784 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= -0.184 X(o=-0.18,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.825 K(o=-0.82,f=-3.6) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -80:sc= 1.24 USER MOD Single : A 47 THR OG1 : rot -28:sc= 1.64 USER MOD Single : A 49 THR OG1 : rot -89:sc= 1.29 USER MOD Single : A 54 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 25:sc= 1.12 USER MOD Single : A 65 MET CE :methyl -162:sc= 0 (180deg=-0.846) USER MOD Single : A 70 ASN : amide:sc= -0.623 K(o=-0.62,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000363) USER MOD Single : A 74 TYR OH : rot -7:sc= -0.256 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.19 (180deg=-0.19) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00833) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 97 TYR OH : rot 74:sc= 1.26 USER MOD Single : A 99 LYS NZ :NH3+ -128:sc= 1.42 (180deg=0.255) USER MOD Single : A 100 LYS NZ :NH3+ -179:sc= -0.0323 (180deg=-0.106) USER MOD Single : A 102 THR OG1 : rot -34:sc= -0.175 USER MOD Single : A 103 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.457 10.073 3.387 1.00 0.00 N ATOM 2 CA GLY A 1 -10.913 10.340 4.705 1.00 0.00 C ATOM 3 C GLY A 1 -10.287 11.724 4.646 1.00 0.00 C ATOM 4 O GLY A 1 -10.672 12.501 3.773 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.241 9.395 3.466 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.806 10.959 2.970 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.714 9.673 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.696 10.301 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.170 9.590 4.976 1.00 0.00 H new ATOM 10 N ASP A 2 -9.351 12.000 5.540 1.00 0.00 N ATOM 11 CA ASP A 2 -8.815 13.318 5.869 1.00 0.00 C ATOM 12 C ASP A 2 -7.452 13.577 5.213 1.00 0.00 C ATOM 13 O ASP A 2 -6.932 14.684 5.315 1.00 0.00 O ATOM 14 CB ASP A 2 -8.679 13.414 7.404 1.00 0.00 C ATOM 15 CG ASP A 2 -9.450 14.546 8.070 1.00 0.00 C ATOM 16 OD1 ASP A 2 -9.777 15.532 7.378 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.679 14.401 9.291 1.00 0.00 O ATOM 0 H ASP A 2 -8.915 11.263 6.093 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.500 14.074 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.009 12.470 7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.623 13.526 7.650 1.00 0.00 H new ATOM 22 N VAL A 3 -6.836 12.552 4.600 1.00 0.00 N ATOM 23 CA VAL A 3 -5.520 12.546 3.965 1.00 0.00 C ATOM 24 C VAL A 3 -4.418 12.633 5.021 1.00 0.00 C ATOM 25 O VAL A 3 -3.589 11.730 5.138 1.00 0.00 O ATOM 26 CB VAL A 3 -5.423 13.617 2.860 1.00 0.00 C ATOM 27 CG1 VAL A 3 -3.980 13.901 2.429 1.00 0.00 C ATOM 28 CG2 VAL A 3 -6.224 13.202 1.624 1.00 0.00 C ATOM 0 H VAL A 3 -7.285 11.639 4.534 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.373 11.596 3.451 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.837 14.527 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.976 14.663 1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.408 14.256 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.528 12.986 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.139 13.974 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.832 12.262 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.272 13.074 1.896 1.00 0.00 H new ATOM 38 N GLU A 4 -4.424 13.699 5.816 1.00 0.00 N ATOM 39 CA GLU A 4 -3.462 13.904 6.879 1.00 0.00 C ATOM 40 C GLU A 4 -3.586 12.793 7.913 1.00 0.00 C ATOM 41 O GLU A 4 -2.599 12.156 8.286 1.00 0.00 O ATOM 42 CB GLU A 4 -3.684 15.286 7.510 1.00 0.00 C ATOM 43 CG GLU A 4 -3.265 16.419 6.561 1.00 0.00 C ATOM 44 CD GLU A 4 -1.769 16.394 6.292 1.00 0.00 C ATOM 45 OE1 GLU A 4 -0.983 16.735 7.206 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.358 15.957 5.195 1.00 0.00 O ATOM 0 H GLU A 4 -5.108 14.451 5.734 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.450 13.871 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.736 15.401 7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.115 15.358 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.807 16.326 5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.542 17.380 6.995 1.00 0.00 H new ATOM 53 N LYS A 5 -4.819 12.530 8.343 1.00 0.00 N ATOM 54 CA LYS A 5 -5.099 11.378 9.182 1.00 0.00 C ATOM 55 C LYS A 5 -4.587 10.116 8.498 1.00 0.00 C ATOM 56 O LYS A 5 -3.918 9.328 9.151 1.00 0.00 O ATOM 57 CB LYS A 5 -6.596 11.287 9.486 1.00 0.00 C ATOM 58 CG LYS A 5 -7.018 12.334 10.526 1.00 0.00 C ATOM 59 CD LYS A 5 -7.361 11.653 11.857 1.00 0.00 C ATOM 60 CE LYS A 5 -7.560 12.710 12.951 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.090 12.124 14.199 1.00 0.00 N ATOM 0 H LYS A 5 -5.635 13.101 8.122 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.581 11.487 10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.165 11.433 8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.835 10.289 9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.213 13.054 10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.881 12.891 10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.267 11.057 11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.561 10.969 12.142 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.609 13.202 13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.245 13.478 12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.209 12.873 14.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.010 11.677 14.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.425 11.409 14.557 1.00 0.00 H new ATOM 75 N GLY A 6 -4.824 9.945 7.193 1.00 0.00 N ATOM 76 CA GLY A 6 -4.279 8.803 6.464 1.00 0.00 C ATOM 77 C GLY A 6 -2.783 8.668 6.692 1.00 0.00 C ATOM 78 O GLY A 6 -2.323 7.612 7.115 1.00 0.00 O ATOM 0 H GLY A 6 -5.386 10.580 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.782 7.890 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.478 8.920 5.399 1.00 0.00 H new ATOM 82 N LYS A 7 -2.021 9.732 6.452 1.00 0.00 N ATOM 83 CA LYS A 7 -0.574 9.656 6.552 1.00 0.00 C ATOM 84 C LYS A 7 -0.110 9.359 7.970 1.00 0.00 C ATOM 85 O LYS A 7 0.825 8.584 8.186 1.00 0.00 O ATOM 86 CB LYS A 7 0.085 10.851 5.862 1.00 0.00 C ATOM 87 CG LYS A 7 0.491 11.980 6.786 1.00 0.00 C ATOM 88 CD LYS A 7 0.752 13.234 5.942 1.00 0.00 C ATOM 89 CE LYS A 7 1.168 14.418 6.820 1.00 0.00 C ATOM 90 NZ LYS A 7 1.125 15.687 6.069 1.00 0.00 N ATOM 0 H LYS A 7 -2.382 10.649 6.189 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.221 8.790 5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.970 10.501 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.603 11.244 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.295 12.172 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.386 11.708 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.534 13.027 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.147 13.492 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.506 14.482 7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.176 14.253 7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.758 16.442 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.084 15.935 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.503 15.580 5.243 1.00 0.00 H new ATOM 104 N LYS A 8 -0.790 9.956 8.942 1.00 0.00 N ATOM 105 CA LYS A 8 -0.395 9.845 10.328 1.00 0.00 C ATOM 106 C LYS A 8 -0.672 8.433 10.831 1.00 0.00 C ATOM 107 O LYS A 8 0.182 7.816 11.464 1.00 0.00 O ATOM 108 CB LYS A 8 -1.095 10.942 11.143 1.00 0.00 C ATOM 109 CG LYS A 8 -0.327 11.330 12.415 1.00 0.00 C ATOM 110 CD LYS A 8 0.718 12.438 12.184 1.00 0.00 C ATOM 111 CE LYS A 8 1.880 12.013 11.268 1.00 0.00 C ATOM 112 NZ LYS A 8 3.020 12.953 11.294 1.00 0.00 N ATOM 0 H LYS A 8 -1.623 10.524 8.787 1.00 0.00 H new ATOM 0 HA LYS A 8 0.677 10.004 10.443 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.221 11.826 10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.093 10.601 11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.037 11.663 13.172 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.173 10.447 12.813 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.223 13.306 11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.122 12.750 13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.227 11.024 11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.514 11.926 10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.767 12.610 10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.703 13.892 10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.394 13.019 12.262 1.00 0.00 H new ATOM 126 N ILE A 9 -1.858 7.913 10.518 1.00 0.00 N ATOM 127 CA ILE A 9 -2.267 6.581 10.912 1.00 0.00 C ATOM 128 C ILE A 9 -1.392 5.567 10.183 1.00 0.00 C ATOM 129 O ILE A 9 -0.901 4.616 10.789 1.00 0.00 O ATOM 130 CB ILE A 9 -3.764 6.422 10.607 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.611 6.967 11.776 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.143 4.962 10.366 1.00 0.00 C ATOM 133 CD1 ILE A 9 -5.830 7.761 11.305 1.00 0.00 C ATOM 0 H ILE A 9 -2.563 8.415 9.979 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.134 6.411 11.980 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.966 6.990 9.699 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.943 6.135 12.397 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.988 7.604 12.404 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.210 4.893 10.154 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.579 4.575 9.518 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.911 4.375 11.254 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.387 8.119 12.170 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.502 8.611 10.707 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.471 7.119 10.701 1.00 0.00 H new ATOM 145 N PHE A 10 -1.208 5.774 8.879 1.00 0.00 N ATOM 146 CA PHE A 10 -0.340 4.956 8.060 1.00 0.00 C ATOM 147 C PHE A 10 1.004 4.811 8.749 1.00 0.00 C ATOM 148 O PHE A 10 1.374 3.718 9.159 1.00 0.00 O ATOM 149 CB PHE A 10 -0.191 5.608 6.674 1.00 0.00 C ATOM 150 CG PHE A 10 0.968 5.118 5.831 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.823 3.993 5.017 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.233 5.709 5.963 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.954 3.391 4.446 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.374 5.090 5.440 1.00 0.00 C ATOM 155 CZ PHE A 10 3.233 3.915 4.688 1.00 0.00 C ATOM 0 H PHE A 10 -1.667 6.525 8.364 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.766 3.962 7.927 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.114 5.446 6.117 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.086 6.684 6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.159 3.586 4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.328 6.655 6.475 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.840 2.520 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.353 5.513 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.106 3.415 4.296 1.00 0.00 H new ATOM 165 N VAL A 11 1.724 5.913 8.935 1.00 0.00 N ATOM 166 CA VAL A 11 3.027 5.861 9.557 1.00 0.00 C ATOM 167 C VAL A 11 2.940 5.132 10.910 1.00 0.00 C ATOM 168 O VAL A 11 3.828 4.351 11.241 1.00 0.00 O ATOM 169 CB VAL A 11 3.634 7.278 9.627 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.635 7.404 10.773 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.336 7.694 8.326 1.00 0.00 C ATOM 0 H VAL A 11 1.421 6.848 8.662 1.00 0.00 H new ATOM 0 HA VAL A 11 3.718 5.273 8.953 1.00 0.00 H new ATOM 0 HB VAL A 11 2.787 7.943 9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.042 8.415 10.791 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.134 7.198 11.718 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.445 6.689 10.629 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.742 8.699 8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.146 6.997 8.111 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.619 7.681 7.505 1.00 0.00 H new ATOM 181 N GLN A 12 1.858 5.348 11.669 1.00 0.00 N ATOM 182 CA GLN A 12 1.618 4.649 12.925 1.00 0.00 C ATOM 183 C GLN A 12 1.692 3.118 12.777 1.00 0.00 C ATOM 184 O GLN A 12 2.284 2.480 13.644 1.00 0.00 O ATOM 185 CB GLN A 12 0.283 5.105 13.544 1.00 0.00 C ATOM 186 CG GLN A 12 0.359 5.389 15.048 1.00 0.00 C ATOM 187 CD GLN A 12 0.471 4.114 15.874 1.00 0.00 C ATOM 188 OE1 GLN A 12 -0.509 3.392 16.031 1.00 0.00 O ATOM 189 NE2 GLN A 12 1.650 3.834 16.419 1.00 0.00 N ATOM 0 H GLN A 12 1.127 6.015 11.423 1.00 0.00 H new ATOM 0 HA GLN A 12 2.423 4.918 13.609 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.055 6.005 13.031 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.469 4.336 13.367 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.219 6.027 15.252 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.529 5.942 15.356 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.443 4.457 16.267 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.762 2.996 16.989 1.00 0.00 H new ATOM 198 N LYS A 13 1.078 2.524 11.738 1.00 0.00 N ATOM 199 CA LYS A 13 0.991 1.059 11.620 1.00 0.00 C ATOM 200 C LYS A 13 1.313 0.442 10.247 1.00 0.00 C ATOM 201 O LYS A 13 0.950 -0.706 9.986 1.00 0.00 O ATOM 202 CB LYS A 13 -0.367 0.591 12.148 1.00 0.00 C ATOM 203 CG LYS A 13 -1.588 1.212 11.455 1.00 0.00 C ATOM 204 CD LYS A 13 -2.421 2.092 12.405 1.00 0.00 C ATOM 205 CE LYS A 13 -3.915 1.780 12.211 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.822 2.644 12.990 1.00 0.00 N ATOM 0 H LYS A 13 0.637 3.034 10.972 1.00 0.00 H new ATOM 0 HA LYS A 13 1.807 0.679 12.235 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.424 -0.493 12.047 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.421 0.815 13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.255 1.812 10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.218 0.417 11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.131 1.906 13.439 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.229 3.146 12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.160 1.876 11.153 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.096 0.741 12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.391 2.059 13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.263 3.325 13.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.453 3.158 12.343 1.00 0.00 H new ATOM 220 N CYS A 14 2.007 1.173 9.377 1.00 0.00 N ATOM 221 CA CYS A 14 2.391 0.728 8.039 1.00 0.00 C ATOM 222 C CYS A 14 3.898 0.967 7.845 1.00 0.00 C ATOM 223 O CYS A 14 4.602 0.102 7.330 1.00 0.00 O ATOM 224 CB CYS A 14 1.621 1.459 6.963 1.00 0.00 C ATOM 225 SG CYS A 14 -0.204 1.556 7.077 1.00 0.00 S ATOM 0 H CYS A 14 2.327 2.118 9.590 1.00 0.00 H new ATOM 0 HA CYS A 14 2.157 -0.333 7.952 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.002 2.480 6.924 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.865 0.991 6.010 1.00 0.00 H new ATOM 230 N ALA A 15 4.413 2.132 8.267 1.00 0.00 N ATOM 231 CA ALA A 15 5.814 2.528 8.072 1.00 0.00 C ATOM 232 C ALA A 15 6.825 1.488 8.530 1.00 0.00 C ATOM 233 O ALA A 15 7.871 1.345 7.904 1.00 0.00 O ATOM 234 CB ALA A 15 6.119 3.832 8.787 1.00 0.00 C ATOM 0 H ALA A 15 3.860 2.834 8.759 1.00 0.00 H new ATOM 0 HA ALA A 15 5.919 2.641 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.163 4.100 8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.477 4.621 8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.937 3.713 9.855 1.00 0.00 H new ATOM 240 N GLN A 16 6.525 0.778 9.620 1.00 0.00 N ATOM 241 CA GLN A 16 7.332 -0.325 10.116 1.00 0.00 C ATOM 242 C GLN A 16 7.777 -1.259 8.982 1.00 0.00 C ATOM 243 O GLN A 16 8.906 -1.753 9.004 1.00 0.00 O ATOM 244 CB GLN A 16 6.541 -1.055 11.209 1.00 0.00 C ATOM 245 CG GLN A 16 5.234 -1.684 10.700 1.00 0.00 C ATOM 246 CD GLN A 16 4.314 -2.057 11.854 1.00 0.00 C ATOM 247 OE1 GLN A 16 3.578 -1.216 12.357 1.00 0.00 O ATOM 248 NE2 GLN A 16 4.342 -3.313 12.292 1.00 0.00 N ATOM 0 H GLN A 16 5.698 0.962 10.189 1.00 0.00 H new ATOM 0 HA GLN A 16 8.255 0.060 10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.167 -1.836 11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.310 -0.353 12.010 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.725 -0.984 10.038 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.461 -2.573 10.111 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.965 -3.992 11.854 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.741 -3.597 13.065 1.00 0.00 H new ATOM 257 N CYS A 17 6.889 -1.471 8.005 1.00 0.00 N ATOM 258 CA CYS A 17 7.127 -2.253 6.809 1.00 0.00 C ATOM 259 C CYS A 17 7.372 -1.358 5.575 1.00 0.00 C ATOM 260 O CYS A 17 8.048 -1.796 4.646 1.00 0.00 O ATOM 261 CB CYS A 17 5.978 -3.212 6.596 1.00 0.00 C ATOM 262 SG CYS A 17 5.773 -4.408 7.965 1.00 0.00 S ATOM 0 H CYS A 17 5.947 -1.081 8.037 1.00 0.00 H new ATOM 0 HA CYS A 17 8.040 -2.832 6.946 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.056 -2.643 6.478 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.137 -3.758 5.666 1.00 0.00 H new ATOM 267 N HIS A 18 6.840 -0.123 5.530 1.00 0.00 N ATOM 268 CA HIS A 18 6.813 0.704 4.318 1.00 0.00 C ATOM 269 C HIS A 18 7.299 2.131 4.554 1.00 0.00 C ATOM 270 O HIS A 18 6.493 3.039 4.747 1.00 0.00 O ATOM 271 CB HIS A 18 5.377 0.786 3.808 1.00 0.00 C ATOM 272 CG HIS A 18 4.858 -0.506 3.276 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.149 -1.032 2.041 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.788 -1.179 3.788 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.245 -1.988 1.801 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.418 -2.140 2.843 1.00 0.00 N ATOM 0 H HIS A 18 6.415 0.328 6.340 1.00 0.00 H new ATOM 0 HA HIS A 18 7.484 0.232 3.600 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.731 1.121 4.619 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.321 1.541 3.024 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.910 -0.748 1.424 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.316 -1.003 4.743 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.189 -2.562 0.888 1.00 0.00 H new ATOM 284 N THR A 19 8.602 2.385 4.469 1.00 0.00 N ATOM 285 CA THR A 19 9.125 3.689 4.857 1.00 0.00 C ATOM 286 C THR A 19 9.017 4.774 3.761 1.00 0.00 C ATOM 287 O THR A 19 9.966 5.525 3.527 1.00 0.00 O ATOM 288 CB THR A 19 10.532 3.511 5.434 1.00 0.00 C ATOM 289 OG1 THR A 19 11.473 3.015 4.491 1.00 0.00 O ATOM 290 CG2 THR A 19 10.521 2.590 6.659 1.00 0.00 C ATOM 0 H THR A 19 9.302 1.719 4.142 1.00 0.00 H new ATOM 0 HA THR A 19 8.483 4.093 5.640 1.00 0.00 H new ATOM 0 HB THR A 19 10.849 4.513 5.724 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.239 2.095 4.249 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.535 2.485 7.044 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.882 3.019 7.431 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.138 1.610 6.374 1.00 0.00 H new ATOM 298 N VAL A 20 7.845 4.906 3.128 1.00 0.00 N ATOM 299 CA VAL A 20 7.567 5.880 2.086 1.00 0.00 C ATOM 300 C VAL A 20 7.407 7.288 2.679 1.00 0.00 C ATOM 301 O VAL A 20 6.302 7.808 2.783 1.00 0.00 O ATOM 302 CB VAL A 20 6.346 5.406 1.271 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.093 5.152 2.125 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.044 6.358 0.111 1.00 0.00 C ATOM 0 H VAL A 20 7.042 4.314 3.340 1.00 0.00 H new ATOM 0 HA VAL A 20 8.410 5.953 1.398 1.00 0.00 H new ATOM 0 HB VAL A 20 6.626 4.437 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.276 4.822 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.307 4.381 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.806 6.073 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.178 5.994 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.833 7.353 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.906 6.406 -0.555 1.00 0.00 H new ATOM 314 N GLU A 21 8.523 7.911 3.056 1.00 0.00 N ATOM 315 CA GLU A 21 8.570 9.320 3.441 1.00 0.00 C ATOM 316 C GLU A 21 10.032 9.757 3.511 1.00 0.00 C ATOM 317 O GLU A 21 10.425 10.761 2.922 1.00 0.00 O ATOM 318 CB GLU A 21 7.809 9.568 4.765 1.00 0.00 C ATOM 319 CG GLU A 21 6.651 10.561 4.566 1.00 0.00 C ATOM 320 CD GLU A 21 5.697 10.610 5.756 1.00 0.00 C ATOM 321 OE1 GLU A 21 6.195 10.804 6.888 1.00 0.00 O ATOM 322 OE2 GLU A 21 4.478 10.440 5.520 1.00 0.00 O ATOM 0 H GLU A 21 9.430 7.446 3.103 1.00 0.00 H new ATOM 0 HA GLU A 21 8.062 9.928 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.420 8.624 5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.498 9.955 5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.059 11.557 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.093 10.286 3.671 1.00 0.00 H new ATOM 329 N LYS A 22 10.853 8.971 4.212 1.00 0.00 N ATOM 330 CA LYS A 22 12.293 9.171 4.223 1.00 0.00 C ATOM 331 C LYS A 22 12.923 8.634 2.927 1.00 0.00 C ATOM 332 O LYS A 22 12.215 8.210 2.017 1.00 0.00 O ATOM 333 CB LYS A 22 12.894 8.547 5.492 1.00 0.00 C ATOM 334 CG LYS A 22 12.746 7.018 5.556 1.00 0.00 C ATOM 335 CD LYS A 22 13.745 6.458 6.579 1.00 0.00 C ATOM 336 CE LYS A 22 13.783 4.925 6.530 1.00 0.00 C ATOM 337 NZ LYS A 22 14.804 4.371 7.443 1.00 10.00 N ATOM 0 H LYS A 22 10.536 8.186 4.781 1.00 0.00 H new ATOM 0 HA LYS A 22 12.519 10.237 4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.952 8.804 5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.413 8.987 6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.728 6.750 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.929 6.581 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.739 6.856 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.468 6.786 7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.803 4.529 6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.992 4.599 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.799 3.333 7.381 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 15.742 4.729 7.173 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 14.591 4.661 8.419 1.00 10.00 H new ATOM 351 N GLY A 23 14.263 8.601 2.882 1.00 0.00 N ATOM 352 CA GLY A 23 15.064 8.132 1.751 1.00 0.00 C ATOM 353 C GLY A 23 14.516 6.863 1.094 1.00 0.00 C ATOM 354 O GLY A 23 14.462 6.775 -0.129 1.00 0.00 O ATOM 0 H GLY A 23 14.837 8.913 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.119 8.923 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.082 7.944 2.091 1.00 0.00 H new ATOM 358 N GLY A 24 14.110 5.890 1.914 1.00 0.00 N ATOM 359 CA GLY A 24 13.421 4.693 1.458 1.00 0.00 C ATOM 360 C GLY A 24 14.243 3.440 1.728 1.00 0.00 C ATOM 361 O GLY A 24 15.462 3.437 1.567 1.00 0.00 O ATOM 0 H GLY A 24 14.255 5.917 2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.457 4.613 1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.218 4.773 0.390 1.00 0.00 H new ATOM 365 N LYS A 25 13.568 2.370 2.148 1.00 0.00 N ATOM 366 CA LYS A 25 14.124 1.046 2.368 1.00 0.00 C ATOM 367 C LYS A 25 12.917 0.110 2.414 1.00 0.00 C ATOM 368 O LYS A 25 11.812 0.583 2.694 1.00 0.00 O ATOM 369 CB LYS A 25 14.940 1.049 3.675 1.00 0.00 C ATOM 370 CG LYS A 25 15.810 -0.195 3.932 1.00 0.00 C ATOM 371 CD LYS A 25 15.111 -1.246 4.813 1.00 0.00 C ATOM 372 CE LYS A 25 16.090 -2.256 5.434 1.00 0.00 C ATOM 373 NZ LYS A 25 16.821 -3.051 4.424 1.00 0.00 N ATOM 0 H LYS A 25 12.570 2.411 2.353 1.00 0.00 H new ATOM 0 HA LYS A 25 14.814 0.723 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.587 1.926 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.249 1.164 4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.077 -0.649 2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.740 0.111 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.566 -0.740 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.375 -1.783 4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.808 -1.722 6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.540 -2.931 6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.465 -3.713 4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.142 -3.586 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.371 -2.414 3.813 1.00 0.00 H new ATOM 387 N HIS A 26 13.129 -1.175 2.105 1.00 0.00 N ATOM 388 CA HIS A 26 12.102 -2.209 2.182 1.00 0.00 C ATOM 389 C HIS A 26 11.797 -2.503 3.668 1.00 0.00 C ATOM 390 O HIS A 26 11.466 -1.581 4.403 1.00 0.00 O ATOM 391 CB HIS A 26 12.554 -3.452 1.386 1.00 0.00 C ATOM 392 CG HIS A 26 12.936 -3.217 -0.058 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.641 -4.100 -0.847 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.715 -2.090 -0.807 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.851 -3.508 -2.035 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.314 -2.278 -2.053 1.00 0.00 N ATOM 0 H HIS A 26 14.034 -1.526 1.790 1.00 0.00 H new ATOM 0 HA HIS A 26 11.171 -1.875 1.724 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.408 -3.895 1.899 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.750 -4.187 1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.173 -1.212 -0.489 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.379 -3.960 -2.862 1.00 0.00 H new ATOM 0 HE2 HIS A 26 13.339 -1.612 -2.825 1.00 0.00 H new ATOM 404 N LYS A 27 12.026 -3.747 4.126 1.00 0.00 N ATOM 405 CA LYS A 27 11.890 -4.243 5.498 1.00 0.00 C ATOM 406 C LYS A 27 10.546 -4.946 5.683 1.00 0.00 C ATOM 407 O LYS A 27 9.675 -4.446 6.379 1.00 0.00 O ATOM 408 CB LYS A 27 12.138 -3.154 6.558 1.00 0.00 C ATOM 409 CG LYS A 27 12.335 -3.724 7.965 1.00 0.00 C ATOM 410 CD LYS A 27 12.733 -2.577 8.908 1.00 0.00 C ATOM 411 CE LYS A 27 13.770 -3.037 9.938 1.00 0.00 C ATOM 412 NZ LYS A 27 13.190 -3.935 10.958 1.00 0.00 N ATOM 0 H LYS A 27 12.335 -4.485 3.493 1.00 0.00 H new ATOM 0 HA LYS A 27 12.677 -4.980 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.020 -2.577 6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.295 -2.464 6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.417 -4.198 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.108 -4.493 7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.138 -1.749 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.848 -2.202 9.422 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.584 -3.551 9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.202 -2.165 10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.930 -4.219 11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.431 -3.438 11.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.801 -4.781 10.495 1.00 0.00 H new ATOM 426 N THR A 28 10.384 -6.121 5.068 1.00 0.00 N ATOM 427 CA THR A 28 9.148 -6.897 5.160 1.00 0.00 C ATOM 428 C THR A 28 7.987 -6.173 4.464 1.00 0.00 C ATOM 429 O THR A 28 6.837 -6.535 4.650 1.00 0.00 O ATOM 430 CB THR A 28 8.844 -7.259 6.632 1.00 0.00 C ATOM 431 OG1 THR A 28 10.050 -7.639 7.273 1.00 0.00 O ATOM 432 CG2 THR A 28 7.855 -8.424 6.785 1.00 0.00 C ATOM 0 H THR A 28 11.105 -6.559 4.494 1.00 0.00 H new ATOM 0 HA THR A 28 9.280 -7.838 4.626 1.00 0.00 H new ATOM 0 HB THR A 28 8.393 -6.373 7.079 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.865 -7.868 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.688 -8.623 7.844 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.909 -8.162 6.312 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.265 -9.314 6.308 1.00 0.00 H new ATOM 440 N GLY A 29 8.288 -5.197 3.609 1.00 0.00 N ATOM 441 CA GLY A 29 7.355 -4.423 2.823 1.00 0.00 C ATOM 442 C GLY A 29 8.257 -3.674 1.853 1.00 0.00 C ATOM 443 O GLY A 29 9.353 -3.281 2.251 1.00 0.00 O ATOM 0 H GLY A 29 9.254 -4.915 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.643 -5.061 2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.775 -3.740 3.444 1.00 0.00 H new ATOM 447 N PRO A 30 7.908 -3.560 0.571 1.00 0.00 N ATOM 448 CA PRO A 30 8.673 -2.751 -0.357 1.00 0.00 C ATOM 449 C PRO A 30 8.341 -1.285 -0.096 1.00 0.00 C ATOM 450 O PRO A 30 7.207 -0.950 0.243 1.00 0.00 O ATOM 451 CB PRO A 30 8.229 -3.177 -1.753 1.00 0.00 C ATOM 452 CG PRO A 30 6.853 -3.795 -1.528 1.00 0.00 C ATOM 453 CD PRO A 30 6.738 -4.138 -0.049 1.00 0.00 C ATOM 0 HA PRO A 30 9.750 -2.879 -0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 30 8.179 -2.327 -2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.923 -3.895 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.068 -3.098 -1.822 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.730 -4.689 -2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.823 -3.728 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.705 -5.217 0.103 1.00 0.00 H new ATOM 461 N ASN A 31 9.316 -0.394 -0.269 1.00 0.00 N ATOM 462 CA ASN A 31 9.029 1.030 -0.242 1.00 0.00 C ATOM 463 C ASN A 31 8.018 1.352 -1.348 1.00 0.00 C ATOM 464 O ASN A 31 8.303 1.139 -2.530 1.00 0.00 O ATOM 465 CB ASN A 31 10.316 1.839 -0.420 1.00 0.00 C ATOM 466 CG ASN A 31 10.039 3.338 -0.361 1.00 0.00 C ATOM 467 OD1 ASN A 31 8.954 3.770 0.013 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.016 4.153 -0.740 1.00 0.00 N ATOM 0 H ASN A 31 10.295 -0.632 -0.427 1.00 0.00 H new ATOM 0 HA ASN A 31 8.602 1.302 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.030 1.568 0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.776 1.589 -1.376 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.873 5.163 -0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.910 3.769 -1.047 1.00 0.00 H new ATOM 475 N LEU A 32 6.838 1.843 -0.953 1.00 0.00 N ATOM 476 CA LEU A 32 5.758 2.154 -1.874 1.00 0.00 C ATOM 477 C LEU A 32 6.293 3.067 -2.976 1.00 0.00 C ATOM 478 O LEU A 32 6.270 2.677 -4.134 1.00 0.00 O ATOM 479 CB LEU A 32 4.560 2.773 -1.137 1.00 0.00 C ATOM 480 CG LEU A 32 3.970 1.889 -0.024 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.757 2.578 0.613 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.531 0.523 -0.552 1.00 0.00 C ATOM 0 H LEU A 32 6.612 2.034 0.023 1.00 0.00 H new ATOM 0 HA LEU A 32 5.391 1.235 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.868 3.724 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.777 2.993 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 32 4.757 1.742 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.349 1.943 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.064 3.532 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.995 2.750 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.121 -0.069 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.769 0.657 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.390 0.005 -0.979 1.00 0.00 H new ATOM 494 N HIS A 33 6.842 4.231 -2.617 1.00 0.00 N ATOM 495 CA HIS A 33 7.536 5.128 -3.541 1.00 0.00 C ATOM 496 C HIS A 33 6.782 5.288 -4.871 1.00 0.00 C ATOM 497 O HIS A 33 7.333 5.048 -5.946 1.00 0.00 O ATOM 498 CB HIS A 33 8.977 4.633 -3.737 1.00 0.00 C ATOM 499 CG HIS A 33 9.925 5.655 -4.314 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.051 6.969 -3.914 1.00 0.00 N ATOM 501 CD2 HIS A 33 10.901 5.414 -5.242 1.00 0.00 C ATOM 502 CE1 HIS A 33 11.075 7.504 -4.602 1.00 0.00 C ATOM 503 NE2 HIS A 33 11.626 6.594 -5.421 1.00 0.00 N ATOM 0 H HIS A 33 6.815 4.581 -1.659 1.00 0.00 H new ATOM 0 HA HIS A 33 7.568 6.127 -3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.366 4.300 -2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.961 3.762 -4.393 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.079 4.476 -5.747 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.409 8.527 -4.508 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.417 6.736 -6.049 1.00 0.00 H new ATOM 511 N GLY A 34 5.512 5.689 -4.777 1.00 0.00 N ATOM 512 CA GLY A 34 4.618 5.838 -5.914 1.00 0.00 C ATOM 513 C GLY A 34 3.728 4.608 -6.072 1.00 0.00 C ATOM 514 O GLY A 34 4.201 3.486 -5.918 1.00 0.00 O ATOM 0 H GLY A 34 5.073 5.923 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.999 6.725 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.201 5.989 -6.823 1.00 0.00 H new ATOM 518 N LEU A 35 2.436 4.804 -6.359 1.00 0.00 N ATOM 519 CA LEU A 35 1.481 3.699 -6.489 1.00 0.00 C ATOM 520 C LEU A 35 0.497 3.943 -7.622 1.00 0.00 C ATOM 521 O LEU A 35 0.408 3.143 -8.548 1.00 0.00 O ATOM 522 CB LEU A 35 0.701 3.482 -5.188 1.00 0.00 C ATOM 523 CG LEU A 35 1.505 2.795 -4.078 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.578 2.648 -2.872 1.00 0.00 C ATOM 525 CD2 LEU A 35 1.988 1.397 -4.480 1.00 0.00 C ATOM 0 H LEU A 35 2.026 5.726 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 35 2.065 2.806 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.351 4.447 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.184 2.883 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 35 2.386 3.400 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.115 2.162 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.243 3.633 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.286 2.044 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.552 0.956 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.129 0.767 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.628 1.472 -5.359 1.00 0.00 H new ATOM 537 N PHE A 36 -0.245 5.042 -7.542 1.00 0.00 N ATOM 538 CA PHE A 36 -1.260 5.397 -8.519 1.00 0.00 C ATOM 539 C PHE A 36 -0.599 5.576 -9.881 1.00 0.00 C ATOM 540 O PHE A 36 0.090 6.570 -10.094 1.00 0.00 O ATOM 541 CB PHE A 36 -1.981 6.664 -8.049 1.00 0.00 C ATOM 542 CG PHE A 36 -2.720 6.455 -6.740 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.998 5.870 -6.767 1.00 0.00 C ATOM 544 CD2 PHE A 36 -2.046 6.591 -5.510 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.591 5.421 -5.578 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.647 6.137 -4.325 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.939 5.596 -4.353 1.00 0.00 C ATOM 0 H PHE A 36 -0.155 5.719 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.006 4.608 -8.616 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.256 7.469 -7.930 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.687 6.983 -8.815 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.524 5.766 -7.705 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.066 7.045 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.556 4.938 -5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.112 6.205 -3.389 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.429 5.315 -3.433 1.00 0.00 H new ATOM 557 N GLY A 37 -0.775 4.604 -10.784 1.00 0.00 N ATOM 558 CA GLY A 37 -0.104 4.624 -12.086 1.00 0.00 C ATOM 559 C GLY A 37 1.124 3.706 -12.147 1.00 0.00 C ATOM 560 O GLY A 37 1.609 3.391 -13.234 1.00 0.00 O ATOM 0 H GLY A 37 -1.377 3.794 -10.635 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.813 4.324 -12.858 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.202 5.645 -12.314 1.00 0.00 H new ATOM 564 N ARG A 38 1.640 3.260 -10.998 1.00 0.00 N ATOM 565 CA ARG A 38 2.767 2.345 -10.921 1.00 0.00 C ATOM 566 C ARG A 38 2.322 0.973 -11.430 1.00 0.00 C ATOM 567 O ARG A 38 1.817 0.147 -10.665 1.00 0.00 O ATOM 568 CB ARG A 38 3.297 2.265 -9.481 1.00 0.00 C ATOM 569 CG ARG A 38 4.710 1.660 -9.413 1.00 0.00 C ATOM 570 CD ARG A 38 4.964 1.036 -8.029 1.00 0.00 C ATOM 571 NE ARG A 38 6.343 1.238 -7.550 1.00 0.00 N ATOM 572 CZ ARG A 38 6.750 0.912 -6.309 1.00 0.00 C ATOM 573 NH1 ARG A 38 5.948 0.194 -5.519 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.948 1.295 -5.851 1.00 0.00 N ATOM 0 H ARG A 38 1.276 3.533 -10.085 1.00 0.00 H new ATOM 0 HA ARG A 38 3.584 2.707 -11.545 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.310 3.264 -9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.617 1.663 -8.878 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.825 0.901 -10.187 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.453 2.433 -9.612 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.268 1.467 -7.309 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.754 -0.033 -8.074 1.00 0.00 H new ATOM 0 HE ARG A 38 7.024 1.645 -8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.033 -0.104 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.250 -0.056 -4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.570 1.843 -6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.239 1.039 -4.908 1.00 0.00 H new ATOM 588 N LYS A 39 2.516 0.749 -12.732 1.00 0.00 N ATOM 589 CA LYS A 39 2.352 -0.540 -13.390 1.00 0.00 C ATOM 590 C LYS A 39 2.927 -1.655 -12.509 1.00 0.00 C ATOM 591 O LYS A 39 4.140 -1.779 -12.358 1.00 0.00 O ATOM 592 CB LYS A 39 2.979 -0.489 -14.792 1.00 0.00 C ATOM 593 CG LYS A 39 4.507 -0.312 -14.782 1.00 0.00 C ATOM 594 CD LYS A 39 4.978 0.448 -16.027 1.00 0.00 C ATOM 595 CE LYS A 39 6.512 0.496 -16.071 1.00 0.00 C ATOM 596 NZ LYS A 39 7.009 1.425 -17.109 1.00 0.00 N ATOM 0 H LYS A 39 2.801 1.488 -13.375 1.00 0.00 H new ATOM 0 HA LYS A 39 1.294 -0.765 -13.525 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.732 -1.408 -15.324 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.531 0.333 -15.351 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.809 0.229 -13.885 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.990 -1.288 -14.743 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.596 -0.038 -16.925 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.575 1.461 -16.018 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.893 0.804 -15.097 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.900 -0.504 -16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.049 1.427 -17.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.668 1.118 -18.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.660 2.385 -16.912 1.00 0.00 H new ATOM 610 N THR A 40 2.045 -2.407 -11.859 1.00 0.00 N ATOM 611 CA THR A 40 2.396 -3.411 -10.893 1.00 0.00 C ATOM 612 C THR A 40 3.051 -4.599 -11.597 1.00 0.00 C ATOM 613 O THR A 40 3.111 -4.665 -12.823 1.00 0.00 O ATOM 614 CB THR A 40 1.072 -3.763 -10.218 1.00 0.00 C ATOM 615 OG1 THR A 40 0.423 -2.553 -9.843 1.00 0.00 O ATOM 616 CG2 THR A 40 1.231 -4.673 -9.008 1.00 0.00 C ATOM 0 H THR A 40 1.039 -2.323 -12.003 1.00 0.00 H new ATOM 0 HA THR A 40 3.126 -3.081 -10.154 1.00 0.00 H new ATOM 0 HB THR A 40 0.473 -4.324 -10.935 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.813 -2.218 -9.009 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.251 -4.882 -8.579 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.699 -5.608 -9.315 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.856 -4.182 -8.263 1.00 0.00 H new ATOM 624 N GLY A 41 3.526 -5.566 -10.816 1.00 0.00 N ATOM 625 CA GLY A 41 4.096 -6.776 -11.364 1.00 0.00 C ATOM 626 C GLY A 41 5.466 -6.494 -11.982 1.00 0.00 C ATOM 627 O GLY A 41 5.850 -7.158 -12.944 1.00 0.00 O ATOM 0 H GLY A 41 3.523 -5.527 -9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.193 -7.527 -10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.428 -7.189 -12.120 1.00 0.00 H new ATOM 631 N GLN A 42 6.208 -5.521 -11.439 1.00 0.00 N ATOM 632 CA GLN A 42 7.447 -4.983 -11.960 1.00 0.00 C ATOM 633 C GLN A 42 7.880 -3.865 -11.000 1.00 0.00 C ATOM 634 O GLN A 42 7.173 -2.875 -10.836 1.00 0.00 O ATOM 635 CB GLN A 42 7.273 -4.448 -13.394 1.00 0.00 C ATOM 636 CG GLN A 42 8.607 -4.458 -14.148 1.00 0.00 C ATOM 637 CD GLN A 42 8.957 -5.832 -14.732 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.716 -6.876 -14.127 1.00 0.00 O ATOM 639 NE2 GLN A 42 9.530 -5.848 -15.933 1.00 0.00 N ATOM 0 H GLN A 42 5.931 -5.067 -10.568 1.00 0.00 H new ATOM 0 HA GLN A 42 8.207 -5.762 -12.020 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.545 -5.058 -13.928 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.877 -3.433 -13.362 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.567 -3.726 -14.955 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.402 -4.144 -13.472 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.722 -4.972 -16.418 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.778 -6.737 -16.368 1.00 0.00 H new ATOM 648 N ALA A 43 9.026 -4.039 -10.347 1.00 0.00 N ATOM 649 CA ALA A 43 9.652 -3.067 -9.458 1.00 0.00 C ATOM 650 C ALA A 43 11.160 -3.222 -9.615 1.00 0.00 C ATOM 651 O ALA A 43 11.611 -4.339 -9.871 1.00 0.00 O ATOM 652 CB ALA A 43 9.273 -3.327 -7.991 1.00 0.00 C ATOM 0 H ALA A 43 9.567 -4.900 -10.427 1.00 0.00 H new ATOM 0 HA ALA A 43 9.316 -2.063 -9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.755 -2.586 -7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.191 -3.255 -7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.603 -4.325 -7.701 1.00 0.00 H new ATOM 658 N PRO A 44 11.945 -2.150 -9.440 1.00 0.00 N ATOM 659 CA PRO A 44 13.395 -2.228 -9.485 1.00 0.00 C ATOM 660 C PRO A 44 13.971 -2.960 -8.270 1.00 0.00 C ATOM 661 O PRO A 44 15.099 -3.440 -8.322 1.00 0.00 O ATOM 662 CB PRO A 44 13.871 -0.776 -9.567 1.00 0.00 C ATOM 663 CG PRO A 44 12.771 -0.005 -8.836 1.00 0.00 C ATOM 664 CD PRO A 44 11.507 -0.785 -9.194 1.00 0.00 C ATOM 0 HA PRO A 44 13.740 -2.810 -10.340 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.842 -0.643 -9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.976 -0.445 -10.600 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.941 0.016 -7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.714 1.031 -9.170 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.780 -0.747 -8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.023 -0.364 -10.075 1.00 0.00 H new ATOM 672 N GLY A 45 13.204 -3.040 -7.179 1.00 0.00 N ATOM 673 CA GLY A 45 13.629 -3.644 -5.926 1.00 0.00 C ATOM 674 C GLY A 45 12.518 -4.498 -5.326 1.00 0.00 C ATOM 675 O GLY A 45 11.812 -4.044 -4.431 1.00 0.00 O ATOM 0 H GLY A 45 12.251 -2.677 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.513 -4.258 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.914 -2.864 -5.220 1.00 0.00 H new ATOM 679 N PHE A 46 12.388 -5.745 -5.795 1.00 0.00 N ATOM 680 CA PHE A 46 11.483 -6.753 -5.243 1.00 0.00 C ATOM 681 C PHE A 46 10.023 -6.362 -5.494 1.00 0.00 C ATOM 682 O PHE A 46 9.371 -5.698 -4.692 1.00 0.00 O ATOM 683 CB PHE A 46 11.830 -7.085 -3.773 1.00 0.00 C ATOM 684 CG PHE A 46 10.688 -7.540 -2.876 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.134 -8.831 -2.985 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.101 -6.609 -1.998 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.040 -9.197 -2.176 1.00 0.00 C ATOM 688 CE2 PHE A 46 8.945 -6.952 -1.280 1.00 0.00 C ATOM 689 CZ PHE A 46 8.467 -8.268 -1.300 1.00 0.00 C ATOM 0 H PHE A 46 12.926 -6.087 -6.591 1.00 0.00 H new ATOM 0 HA PHE A 46 11.625 -7.695 -5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 46 12.591 -7.865 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.281 -6.200 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.547 -9.539 -3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.541 -5.630 -1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.642 -10.199 -2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.422 -6.198 -0.710 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.662 -8.564 -0.644 1.00 0.00 H new ATOM 699 N THR A 47 9.483 -6.812 -6.628 1.00 0.00 N ATOM 700 CA THR A 47 8.068 -6.646 -6.915 1.00 0.00 C ATOM 701 C THR A 47 7.298 -7.790 -6.256 1.00 0.00 C ATOM 702 O THR A 47 6.632 -8.581 -6.916 1.00 0.00 O ATOM 703 CB THR A 47 7.851 -6.424 -8.418 1.00 0.00 C ATOM 704 OG1 THR A 47 6.672 -5.680 -8.694 1.00 0.00 O ATOM 705 CG2 THR A 47 7.901 -7.686 -9.270 1.00 0.00 C ATOM 0 H THR A 47 10.008 -7.293 -7.358 1.00 0.00 H new ATOM 0 HA THR A 47 7.654 -5.740 -6.473 1.00 0.00 H new ATOM 0 HB THR A 47 8.716 -5.831 -8.716 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.016 -5.831 -7.982 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.737 -7.426 -10.316 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.877 -8.159 -9.163 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.125 -8.377 -8.942 1.00 0.00 H new ATOM 713 N TYR A 48 7.344 -7.825 -4.922 1.00 0.00 N ATOM 714 CA TYR A 48 6.402 -8.609 -4.135 1.00 0.00 C ATOM 715 C TYR A 48 6.643 -10.123 -4.279 1.00 0.00 C ATOM 716 O TYR A 48 7.668 -10.546 -4.815 1.00 0.00 O ATOM 717 CB TYR A 48 4.969 -8.210 -4.518 1.00 0.00 C ATOM 718 CG TYR A 48 4.758 -6.792 -5.016 1.00 0.00 C ATOM 719 CD1 TYR A 48 5.139 -5.738 -4.181 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.387 -6.526 -6.350 1.00 0.00 C ATOM 721 CE1 TYR A 48 5.211 -4.433 -4.681 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.371 -5.204 -6.823 1.00 0.00 C ATOM 723 CZ TYR A 48 4.776 -4.155 -5.983 1.00 0.00 C ATOM 724 OH TYR A 48 4.777 -2.874 -6.436 1.00 0.00 O ATOM 0 H TYR A 48 8.030 -7.314 -4.366 1.00 0.00 H new ATOM 0 HA TYR A 48 6.557 -8.388 -3.079 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.622 -8.896 -5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.331 -8.362 -3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.379 -5.931 -3.146 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.115 -7.339 -7.008 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.602 -3.639 -4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.047 -4.995 -7.832 1.00 0.00 H new ATOM 0 HH TYR A 48 4.447 -2.853 -7.359 1.00 0.00 H new ATOM 734 N THR A 49 5.713 -10.953 -3.791 1.00 0.00 N ATOM 735 CA THR A 49 5.679 -12.381 -4.101 1.00 0.00 C ATOM 736 C THR A 49 5.434 -12.589 -5.597 1.00 0.00 C ATOM 737 O THR A 49 5.129 -11.641 -6.307 1.00 0.00 O ATOM 738 CB THR A 49 4.574 -13.085 -3.290 1.00 0.00 C ATOM 739 OG1 THR A 49 3.330 -12.416 -3.416 1.00 0.00 O ATOM 740 CG2 THR A 49 4.973 -13.242 -1.824 1.00 0.00 C ATOM 0 H THR A 49 4.963 -10.649 -3.169 1.00 0.00 H new ATOM 0 HA THR A 49 6.642 -12.814 -3.831 1.00 0.00 H new ATOM 0 HB THR A 49 4.452 -14.085 -3.707 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.257 -11.727 -2.723 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.172 -13.742 -1.280 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.884 -13.837 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.149 -12.259 -1.388 1.00 0.00 H new ATOM 748 N ASP A 50 5.496 -13.838 -6.061 1.00 0.00 N ATOM 749 CA ASP A 50 4.933 -14.300 -7.326 1.00 0.00 C ATOM 750 C ASP A 50 3.478 -13.859 -7.456 1.00 0.00 C ATOM 751 O ASP A 50 3.092 -13.365 -8.505 1.00 0.00 O ATOM 752 CB ASP A 50 5.061 -15.829 -7.396 1.00 0.00 C ATOM 753 CG ASP A 50 4.262 -16.550 -6.314 1.00 0.00 C ATOM 754 OD1 ASP A 50 4.142 -15.958 -5.215 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.778 -17.660 -6.606 1.00 0.00 O ATOM 0 H ASP A 50 5.959 -14.584 -5.543 1.00 0.00 H new ATOM 0 HA ASP A 50 5.481 -13.859 -8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.725 -16.171 -8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.112 -16.104 -7.306 1.00 0.00 H new ATOM 760 N ALA A 51 2.665 -14.006 -6.411 1.00 0.00 N ATOM 761 CA ALA A 51 1.251 -13.652 -6.469 1.00 0.00 C ATOM 762 C ALA A 51 1.050 -12.182 -6.843 1.00 0.00 C ATOM 763 O ALA A 51 0.360 -11.869 -7.813 1.00 0.00 O ATOM 764 CB ALA A 51 0.573 -14.003 -5.142 1.00 0.00 C ATOM 0 H ALA A 51 2.967 -14.371 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 51 0.779 -14.236 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.483 -13.736 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.669 -15.073 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.050 -13.450 -4.333 1.00 0.00 H new ATOM 770 N ASN A 52 1.662 -11.266 -6.091 1.00 0.00 N ATOM 771 CA ASN A 52 1.549 -9.841 -6.391 1.00 0.00 C ATOM 772 C ASN A 52 2.355 -9.484 -7.656 1.00 0.00 C ATOM 773 O ASN A 52 1.965 -8.582 -8.396 1.00 0.00 O ATOM 774 CB ASN A 52 1.962 -9.007 -5.168 1.00 0.00 C ATOM 775 CG ASN A 52 0.835 -8.622 -4.211 1.00 0.00 C ATOM 776 OD1 ASN A 52 -0.267 -9.151 -4.269 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.100 -7.672 -3.316 1.00 0.00 N ATOM 0 H ASN A 52 2.236 -11.484 -5.277 1.00 0.00 H new ATOM 0 HA ASN A 52 0.508 -9.600 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.713 -9.565 -4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.441 -8.094 -5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.377 -7.372 -2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.026 -7.244 -3.285 1.00 0.00 H new ATOM 784 N LYS A 53 3.454 -10.192 -7.943 1.00 0.00 N ATOM 785 CA LYS A 53 4.248 -10.020 -9.165 1.00 0.00 C ATOM 786 C LYS A 53 3.384 -10.338 -10.380 1.00 0.00 C ATOM 787 O LYS A 53 3.468 -9.685 -11.418 1.00 0.00 O ATOM 788 CB LYS A 53 5.493 -10.928 -9.161 1.00 0.00 C ATOM 789 CG LYS A 53 6.118 -11.266 -10.530 1.00 0.00 C ATOM 790 CD LYS A 53 6.684 -10.055 -11.285 1.00 0.00 C ATOM 791 CE LYS A 53 6.834 -10.363 -12.783 1.00 0.00 C ATOM 792 NZ LYS A 53 7.422 -9.236 -13.542 1.00 0.00 N ATOM 0 H LYS A 53 3.822 -10.912 -7.322 1.00 0.00 H new ATOM 0 HA LYS A 53 4.587 -8.985 -9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.258 -10.451 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.228 -11.864 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.917 -11.992 -10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.363 -11.746 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.025 -9.197 -11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.653 -9.781 -10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.461 -11.246 -12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.856 -10.605 -13.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.595 -9.532 -14.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.764 -8.431 -13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.321 -8.953 -13.102 1.00 0.00 H new ATOM 806 N ASN A 54 2.591 -11.399 -10.268 1.00 0.00 N ATOM 807 CA ASN A 54 1.862 -11.974 -11.378 1.00 0.00 C ATOM 808 C ASN A 54 0.776 -11.007 -11.876 1.00 0.00 C ATOM 809 O ASN A 54 0.257 -11.174 -12.975 1.00 0.00 O ATOM 810 CB ASN A 54 1.248 -13.315 -10.955 1.00 0.00 C ATOM 811 CG ASN A 54 0.444 -13.965 -12.076 1.00 0.00 C ATOM 812 OD1 ASN A 54 -0.779 -14.029 -12.015 1.00 0.00 O ATOM 813 ND2 ASN A 54 1.124 -14.476 -13.100 1.00 0.00 N ATOM 0 H ASN A 54 2.439 -11.887 -9.385 1.00 0.00 H new ATOM 0 HA ASN A 54 2.553 -12.149 -12.202 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.042 -13.992 -10.641 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.602 -13.159 -10.091 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.628 -14.937 -13.863 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.141 -14.407 -13.122 1.00 0.00 H new ATOM 820 N LYS A 55 0.398 -10.022 -11.050 1.00 0.00 N ATOM 821 CA LYS A 55 -0.839 -9.275 -11.233 1.00 0.00 C ATOM 822 C LYS A 55 -0.840 -8.391 -12.472 1.00 0.00 C ATOM 823 O LYS A 55 -1.764 -8.453 -13.279 1.00 0.00 O ATOM 824 CB LYS A 55 -1.110 -8.414 -9.993 1.00 0.00 C ATOM 825 CG LYS A 55 -1.932 -9.191 -8.969 1.00 0.00 C ATOM 826 CD LYS A 55 -3.416 -9.180 -9.382 1.00 0.00 C ATOM 827 CE LYS A 55 -4.095 -10.523 -9.079 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.534 -10.502 -9.415 1.00 0.00 N ATOM 0 H LYS A 55 0.944 -9.727 -10.241 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.628 -10.014 -11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.166 -8.101 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.642 -7.508 -10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.571 -10.217 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.816 -8.746 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.936 -8.381 -8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.497 -8.963 -10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.602 -11.314 -9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.972 -10.761 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.955 -11.427 -9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.010 -9.764 -8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.651 -10.300 -10.428 1.00 0.00 H new ATOM 842 N GLY A 56 0.127 -7.478 -12.555 1.00 0.00 N ATOM 843 CA GLY A 56 0.125 -6.454 -13.587 1.00 0.00 C ATOM 844 C GLY A 56 -1.090 -5.522 -13.506 1.00 0.00 C ATOM 845 O GLY A 56 -1.546 -5.032 -14.535 1.00 0.00 O ATOM 0 H GLY A 56 0.921 -7.431 -11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.036 -5.862 -13.505 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.144 -6.933 -14.566 1.00 0.00 H new ATOM 849 N ILE A 57 -1.596 -5.226 -12.297 1.00 0.00 N ATOM 850 CA ILE A 57 -2.485 -4.084 -12.106 1.00 0.00 C ATOM 851 C ILE A 57 -1.668 -2.777 -12.178 1.00 0.00 C ATOM 852 O ILE A 57 -0.614 -2.735 -12.813 1.00 0.00 O ATOM 853 CB ILE A 57 -3.313 -4.249 -10.817 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.460 -4.505 -9.567 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.345 -5.372 -10.988 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.090 -3.891 -8.319 1.00 0.00 C ATOM 0 H ILE A 57 -1.403 -5.760 -11.450 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.219 -4.032 -12.910 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.819 -3.297 -10.656 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.338 -5.579 -9.423 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.464 -4.088 -9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.923 -5.478 -10.070 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.015 -5.128 -11.813 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.831 -6.309 -11.203 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.457 -4.093 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.188 -2.814 -8.453 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.076 -4.327 -8.157 1.00 0.00 H new ATOM 868 N THR A 58 -2.139 -1.671 -11.593 1.00 0.00 N ATOM 869 CA THR A 58 -1.501 -0.373 -11.700 1.00 0.00 C ATOM 870 C THR A 58 -1.745 0.410 -10.400 1.00 0.00 C ATOM 871 O THR A 58 -1.941 1.623 -10.428 1.00 0.00 O ATOM 872 CB THR A 58 -2.101 0.284 -12.955 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.059 -0.620 -14.045 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.369 1.548 -13.360 1.00 0.00 C ATOM 0 H THR A 58 -2.987 -1.662 -11.026 1.00 0.00 H new ATOM 0 HA THR A 58 -0.418 -0.418 -11.814 1.00 0.00 H new ATOM 0 HB THR A 58 -3.128 0.547 -12.704 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.444 -0.194 -14.839 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.835 1.969 -14.251 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.418 2.273 -12.548 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.326 1.312 -13.573 1.00 0.00 H new ATOM 882 N TRP A 59 -1.785 -0.330 -9.280 1.00 0.00 N ATOM 883 CA TRP A 59 -2.177 0.106 -7.939 1.00 0.00 C ATOM 884 C TRP A 59 -2.971 1.411 -7.921 1.00 0.00 C ATOM 885 O TRP A 59 -2.489 2.436 -7.446 1.00 0.00 O ATOM 886 CB TRP A 59 -0.955 0.115 -7.017 1.00 0.00 C ATOM 887 CG TRP A 59 -0.520 -1.252 -6.594 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.637 -1.856 -6.933 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.242 -2.208 -5.758 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.655 -3.131 -6.412 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.476 -3.406 -5.674 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.471 -2.184 -5.064 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.902 -4.524 -4.938 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.885 -3.279 -4.283 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.101 -4.443 -4.210 1.00 0.00 C ATOM 0 H TRP A 59 -1.525 -1.316 -9.294 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.886 -0.623 -7.547 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.128 0.610 -7.527 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.183 0.706 -6.130 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.426 -1.410 -7.521 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.417 -3.794 -6.556 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.104 -1.311 -5.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.317 -5.432 -4.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.814 -3.224 -3.735 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.419 -5.273 -3.596 1.00 0.00 H new ATOM 906 N LYS A 60 -4.211 1.347 -8.419 1.00 0.00 N ATOM 907 CA LYS A 60 -5.100 2.496 -8.475 1.00 0.00 C ATOM 908 C LYS A 60 -6.107 2.466 -7.316 1.00 0.00 C ATOM 909 O LYS A 60 -6.144 1.505 -6.535 1.00 0.00 O ATOM 910 CB LYS A 60 -5.788 2.585 -9.843 1.00 0.00 C ATOM 911 CG LYS A 60 -6.759 1.456 -10.219 1.00 0.00 C ATOM 912 CD LYS A 60 -6.164 0.414 -11.183 1.00 0.00 C ATOM 913 CE LYS A 60 -7.307 -0.186 -12.020 1.00 0.00 C ATOM 914 NZ LYS A 60 -6.852 -1.152 -13.037 1.00 0.00 N ATOM 0 H LYS A 60 -4.620 0.491 -8.794 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.506 3.402 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.334 3.527 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.013 2.632 -10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.083 0.951 -9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.648 1.892 -10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.423 0.879 -11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.652 -0.370 -10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.014 -0.680 -11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.846 0.622 -12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.673 -1.515 -13.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.200 -0.681 -13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.362 -1.942 -12.571 1.00 0.00 H new ATOM 928 N GLU A 61 -6.967 3.492 -7.242 1.00 0.00 N ATOM 929 CA GLU A 61 -7.937 3.711 -6.158 1.00 0.00 C ATOM 930 C GLU A 61 -9.181 2.819 -6.259 1.00 0.00 C ATOM 931 O GLU A 61 -10.305 3.250 -6.021 1.00 0.00 O ATOM 932 CB GLU A 61 -8.313 5.196 -6.043 1.00 0.00 C ATOM 933 CG GLU A 61 -8.882 5.829 -7.322 1.00 0.00 C ATOM 934 CD GLU A 61 -9.456 7.220 -7.065 1.00 0.00 C ATOM 935 OE1 GLU A 61 -9.313 7.702 -5.916 1.00 0.00 O ATOM 936 OE2 GLU A 61 -10.007 7.794 -8.024 1.00 0.00 O ATOM 0 H GLU A 61 -7.008 4.217 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.436 3.412 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.047 5.308 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.427 5.756 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.096 5.894 -8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.661 5.185 -7.730 1.00 0.00 H new ATOM 943 N GLU A 62 -8.940 1.548 -6.545 1.00 0.00 N ATOM 944 CA GLU A 62 -9.926 0.486 -6.609 1.00 0.00 C ATOM 945 C GLU A 62 -9.242 -0.715 -5.966 1.00 0.00 C ATOM 946 O GLU A 62 -9.648 -1.235 -4.927 1.00 0.00 O ATOM 947 CB GLU A 62 -10.297 0.194 -8.078 1.00 0.00 C ATOM 948 CG GLU A 62 -10.421 1.444 -8.961 1.00 0.00 C ATOM 949 CD GLU A 62 -10.754 1.036 -10.390 1.00 0.00 C ATOM 950 OE1 GLU A 62 -11.917 0.652 -10.621 1.00 0.00 O ATOM 951 OE2 GLU A 62 -9.815 1.055 -11.215 1.00 0.00 O ATOM 0 H GLU A 62 -7.998 1.214 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.855 0.742 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.542 -0.465 -8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.243 -0.347 -8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.198 2.101 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.488 2.008 -8.942 1.00 0.00 H new ATOM 958 N THR A 63 -8.110 -1.071 -6.574 1.00 0.00 N ATOM 959 CA THR A 63 -7.230 -2.137 -6.179 1.00 0.00 C ATOM 960 C THR A 63 -6.729 -1.881 -4.759 1.00 0.00 C ATOM 961 O THR A 63 -6.737 -2.780 -3.922 1.00 0.00 O ATOM 962 CB THR A 63 -6.115 -2.205 -7.237 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.684 -0.920 -7.668 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.664 -2.853 -8.513 1.00 0.00 C ATOM 0 H THR A 63 -7.775 -0.584 -7.405 1.00 0.00 H new ATOM 0 HA THR A 63 -7.724 -3.108 -6.142 1.00 0.00 H new ATOM 0 HB THR A 63 -5.299 -2.755 -6.768 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.874 -0.260 -6.969 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.876 -2.902 -9.264 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.014 -3.860 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.493 -2.258 -8.896 1.00 0.00 H new ATOM 972 N LEU A 64 -6.331 -0.638 -4.471 1.00 0.00 N ATOM 973 CA LEU A 64 -5.901 -0.254 -3.141 1.00 0.00 C ATOM 974 C LEU A 64 -7.040 -0.386 -2.131 1.00 0.00 C ATOM 975 O LEU A 64 -6.835 -0.952 -1.067 1.00 0.00 O ATOM 976 CB LEU A 64 -5.357 1.178 -3.178 1.00 0.00 C ATOM 977 CG LEU A 64 -3.820 1.229 -3.179 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.316 1.795 -4.502 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.327 2.085 -2.010 1.00 0.00 C ATOM 0 H LEU A 64 -6.301 0.119 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.108 -0.928 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.734 1.683 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.734 1.728 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.429 0.218 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.227 1.827 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.653 1.160 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.707 2.803 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.237 2.117 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.720 3.097 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.672 1.652 -1.071 1.00 0.00 H new ATOM 991 N MET A 65 -8.227 0.139 -2.436 1.00 0.00 N ATOM 992 CA MET A 65 -9.374 0.058 -1.548 1.00 0.00 C ATOM 993 C MET A 65 -9.658 -1.397 -1.189 1.00 0.00 C ATOM 994 O MET A 65 -9.750 -1.729 -0.008 1.00 0.00 O ATOM 995 CB MET A 65 -10.601 0.731 -2.178 1.00 0.00 C ATOM 996 CG MET A 65 -10.284 2.153 -2.653 1.00 0.00 C ATOM 997 SD MET A 65 -11.698 3.267 -2.768 1.00 0.00 S ATOM 998 CE MET A 65 -11.781 3.738 -1.032 1.00 0.00 C ATOM 0 H MET A 65 -8.415 0.632 -3.309 1.00 0.00 H new ATOM 0 HA MET A 65 -9.144 0.596 -0.628 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.951 0.135 -3.021 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.413 0.762 -1.451 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.554 2.590 -1.972 1.00 0.00 H new ATOM 0 HG3 MET A 65 -9.810 2.093 -3.633 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.761 4.164 -0.817 1.00 0.00 H new ATOM 0 HE2 MET A 65 -11.623 2.858 -0.408 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.009 4.477 -0.818 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.777 -2.262 -2.200 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.080 -3.669 -1.970 1.00 0.00 C ATOM 1010 C GLU A 66 -8.981 -4.320 -1.115 1.00 0.00 C ATOM 1011 O GLU A 66 -9.264 -4.986 -0.118 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.282 -4.394 -3.312 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.377 -5.464 -3.179 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.489 -6.350 -4.413 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -11.411 -5.791 -5.528 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.644 -7.576 -4.213 1.00 0.00 O ATOM 0 H GLU A 66 -9.668 -2.009 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.013 -3.752 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.558 -3.675 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.347 -4.857 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.167 -6.086 -2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.335 -4.976 -2.999 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.718 -4.101 -1.494 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.565 -4.668 -0.801 1.00 0.00 C ATOM 1025 C TYR A 67 -6.568 -4.241 0.659 1.00 0.00 C ATOM 1026 O TYR A 67 -6.636 -5.077 1.544 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.289 -4.236 -1.529 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.991 -4.871 -1.061 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.842 -6.270 -1.052 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.867 -4.063 -0.820 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.595 -6.859 -0.786 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.632 -4.652 -0.512 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.492 -6.047 -0.481 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.291 -6.612 -0.178 1.00 0.00 O ATOM 0 H TYR A 67 -7.469 -3.521 -2.296 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.613 -5.757 -0.812 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.412 -4.454 -2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.193 -3.154 -1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.697 -6.899 -1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.954 -2.988 -0.872 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.485 -7.933 -0.816 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.780 -4.025 -0.296 1.00 0.00 H new ATOM 0 HH TYR A 67 0.080 -6.184 0.622 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.511 -2.946 0.937 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.473 -2.453 2.307 1.00 0.00 C ATOM 1046 C LEU A 68 -7.724 -2.825 3.101 1.00 0.00 C ATOM 1047 O LEU A 68 -7.622 -3.024 4.311 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.222 -0.940 2.345 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.745 -0.522 2.244 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.891 -1.216 3.308 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.144 -0.762 0.858 1.00 0.00 C ATOM 0 H LEU A 68 -6.490 -2.214 0.227 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.635 -2.950 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.772 -0.475 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.634 -0.542 3.272 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.734 0.553 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.854 -0.897 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.257 -0.949 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.953 -2.296 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.101 -0.446 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.203 -1.823 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.700 -0.188 0.116 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.895 -2.926 2.463 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.071 -3.419 3.166 1.00 0.00 C ATOM 1065 C GLU A 69 -9.860 -4.876 3.583 1.00 0.00 C ATOM 1066 O GLU A 69 -10.269 -5.270 4.675 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.348 -3.262 2.324 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.583 -3.436 3.224 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.879 -3.112 2.504 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -14.280 -3.903 1.630 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.444 -2.041 2.823 1.00 0.00 O ATOM 0 H GLU A 69 -9.047 -2.678 1.485 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.207 -2.814 4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.366 -2.280 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.361 -4.002 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.621 -4.463 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.486 -2.791 4.097 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.268 -5.690 2.702 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.153 -7.122 2.935 1.00 0.00 C ATOM 1080 C ASN A 70 -8.022 -7.735 2.105 1.00 0.00 C ATOM 1081 O ASN A 70 -8.282 -8.347 1.074 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.488 -7.776 2.574 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.664 -9.101 3.300 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.694 -9.797 3.593 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.909 -9.456 3.605 1.00 0.00 N ATOM 0 H ASN A 70 -8.862 -5.374 1.821 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.915 -7.296 3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.307 -7.105 2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.537 -7.939 1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.083 -10.332 4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.689 -8.853 3.346 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.758 -7.611 2.520 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.642 -7.892 1.634 1.00 0.00 C ATOM 1094 C PRO A 71 -5.508 -9.389 1.398 1.00 0.00 C ATOM 1095 O PRO A 71 -5.301 -9.829 0.268 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.413 -7.247 2.276 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.805 -7.024 3.737 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.334 -7.009 3.763 1.00 0.00 C ATOM 0 HA PRO A 71 -5.782 -7.472 0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.540 -7.894 2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.159 -6.307 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.411 -7.817 4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.399 -6.084 4.111 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.715 -7.568 4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.713 -5.991 3.853 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.684 -10.176 2.463 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.692 -11.623 2.372 1.00 0.00 C ATOM 1108 C LYS A 72 -6.795 -12.114 1.421 1.00 0.00 C ATOM 1109 O LYS A 72 -6.621 -13.147 0.783 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.815 -12.228 3.781 1.00 0.00 C ATOM 1111 CG LYS A 72 -5.435 -13.716 3.771 1.00 0.00 C ATOM 1112 CD LYS A 72 -5.418 -14.345 5.171 1.00 0.00 C ATOM 1113 CE LYS A 72 -6.808 -14.326 5.828 1.00 0.00 C ATOM 1114 NZ LYS A 72 -6.905 -15.281 6.952 1.00 0.00 N ATOM 0 H LYS A 72 -5.824 -9.820 3.408 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.749 -11.963 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.168 -11.687 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.836 -12.111 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.141 -14.260 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.451 -13.830 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.064 -15.373 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.711 -13.806 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.025 -13.320 6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.565 -14.567 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.858 -15.235 7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.724 -16.245 6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.201 -15.036 7.677 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.927 -11.401 1.327 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.976 -11.751 0.376 1.00 0.00 C ATOM 1130 C LYS A 73 -8.562 -11.338 -1.036 1.00 0.00 C ATOM 1131 O LYS A 73 -8.603 -12.175 -1.933 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.308 -11.116 0.783 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.479 -11.552 -0.105 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.718 -10.721 0.260 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.971 -11.150 -0.518 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.844 -10.915 -1.973 1.00 0.00 N ATOM 0 H LYS A 73 -8.133 -10.582 1.899 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.116 -12.832 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.527 -11.378 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.214 -10.031 0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.227 -11.411 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.683 -12.614 0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.910 -10.813 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.515 -9.668 0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.160 -12.208 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.835 -10.603 -0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.722 -11.205 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.673 -9.904 -2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.048 -11.470 -2.346 1.00 0.00 H new ATOM 1150 N TYR A 74 -8.213 -10.059 -1.247 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.791 -9.562 -2.553 1.00 0.00 C ATOM 1152 C TYR A 74 -6.768 -10.501 -3.203 1.00 0.00 C ATOM 1153 O TYR A 74 -6.987 -10.971 -4.319 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.234 -8.139 -2.408 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.799 -7.485 -3.713 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.775 -7.077 -4.640 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.433 -7.312 -4.020 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.390 -6.527 -5.874 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.049 -6.743 -5.250 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.030 -6.375 -6.182 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.653 -5.987 -7.431 1.00 0.00 O ATOM 0 H TYR A 74 -8.217 -9.348 -0.516 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.657 -9.532 -3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.994 -7.513 -1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.381 -8.166 -1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.823 -7.187 -4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.679 -7.617 -3.309 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.142 -6.221 -6.586 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.004 -6.591 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.436 -5.973 -8.020 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.653 -10.766 -2.512 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.618 -11.696 -2.956 1.00 0.00 C ATOM 1173 C ILE A 75 -4.137 -12.505 -1.743 1.00 0.00 C ATOM 1174 O ILE A 75 -3.285 -12.024 -0.995 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.465 -10.949 -3.661 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.971 -10.368 -4.994 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -2.293 -11.906 -3.951 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.985 -9.412 -5.659 1.00 0.00 C ATOM 0 H ILE A 75 -5.445 -10.331 -1.613 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.026 -12.385 -3.696 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.120 -10.150 -3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.187 -11.188 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.910 -9.843 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.491 -11.360 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.922 -12.322 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.635 -12.715 -4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.410 -9.043 -6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.787 -8.572 -4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.053 -9.937 -5.867 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.633 -13.735 -1.530 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.073 -14.603 -0.510 1.00 0.00 C ATOM 1192 C PRO A 76 -2.653 -14.997 -0.927 1.00 0.00 C ATOM 1193 O PRO A 76 -2.368 -15.118 -2.117 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.014 -15.808 -0.433 1.00 0.00 C ATOM 1195 CG PRO A 76 -5.598 -15.890 -1.843 1.00 0.00 C ATOM 1196 CD PRO A 76 -5.663 -14.429 -2.291 1.00 0.00 C ATOM 0 HA PRO A 76 -3.995 -14.130 0.469 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.479 -16.719 -0.166 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.792 -15.663 0.317 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.967 -16.484 -2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.585 -16.353 -1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.484 -14.340 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.647 -14.003 -2.096 1.00 0.00 H new ATOM 1204 N GLY A 77 -1.755 -15.173 0.047 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.361 -15.529 -0.200 1.00 0.00 C ATOM 1206 C GLY A 77 0.581 -14.360 0.078 1.00 0.00 C ATOM 1207 O GLY A 77 1.752 -14.578 0.391 1.00 0.00 O ATOM 0 H GLY A 77 -1.981 -15.071 1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.085 -16.375 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.246 -15.850 -1.235 1.00 0.00 H new ATOM 1211 N THR A 78 0.080 -13.123 -0.007 1.00 0.00 N ATOM 1212 CA THR A 78 0.844 -11.950 0.370 1.00 0.00 C ATOM 1213 C THR A 78 1.396 -12.117 1.786 1.00 0.00 C ATOM 1214 O THR A 78 0.682 -12.530 2.700 1.00 0.00 O ATOM 1215 CB THR A 78 -0.005 -10.674 0.245 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.810 -9.577 0.590 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.238 -10.644 1.157 1.00 0.00 C ATOM 0 H THR A 78 -0.862 -12.917 -0.338 1.00 0.00 H new ATOM 0 HA THR A 78 1.685 -11.846 -0.315 1.00 0.00 H new ATOM 0 HB THR A 78 -0.369 -10.638 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.368 -8.744 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.780 -9.710 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.889 -11.484 0.916 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.923 -10.716 2.198 1.00 0.00 H new ATOM 1225 N LYS A 79 2.664 -11.748 1.970 1.00 0.00 N ATOM 1226 CA LYS A 79 3.270 -11.625 3.291 1.00 0.00 C ATOM 1227 C LYS A 79 3.081 -10.209 3.834 1.00 0.00 C ATOM 1228 O LYS A 79 3.859 -9.753 4.669 1.00 0.00 O ATOM 1229 CB LYS A 79 4.738 -12.070 3.241 1.00 0.00 C ATOM 1230 CG LYS A 79 4.808 -13.582 2.963 1.00 0.00 C ATOM 1231 CD LYS A 79 5.535 -13.904 1.654 1.00 0.00 C ATOM 1232 CE LYS A 79 7.058 -13.855 1.835 1.00 0.00 C ATOM 1233 NZ LYS A 79 7.767 -14.164 0.577 1.00 0.00 N ATOM 0 H LYS A 79 3.299 -11.526 1.203 1.00 0.00 H new ATOM 0 HA LYS A 79 2.767 -12.290 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.269 -11.522 2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.231 -11.840 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.318 -14.077 3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.797 -13.988 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.240 -14.894 1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.235 -13.193 0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.351 -12.865 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.356 -14.566 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.794 -14.121 0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.506 -15.118 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.501 -13.470 -0.151 1.00 0.00 H new ATOM 1247 N MET A 80 2.014 -9.526 3.408 1.00 0.00 N ATOM 1248 CA MET A 80 1.630 -8.253 3.977 1.00 0.00 C ATOM 1249 C MET A 80 1.273 -8.347 5.462 1.00 0.00 C ATOM 1250 O MET A 80 1.505 -7.416 6.225 1.00 0.00 O ATOM 1251 CB MET A 80 0.534 -7.633 3.119 1.00 0.00 C ATOM 1252 CG MET A 80 0.043 -6.306 3.690 1.00 0.00 C ATOM 1253 SD MET A 80 0.137 -4.917 2.547 1.00 0.00 S ATOM 1254 CE MET A 80 -1.496 -4.170 2.778 1.00 0.00 C ATOM 0 H MET A 80 1.400 -9.849 2.660 1.00 0.00 H new ATOM 0 HA MET A 80 2.490 -7.584 3.960 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.910 -7.476 2.108 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.303 -8.327 3.043 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.991 -6.425 4.012 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.629 -6.069 4.578 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.590 -3.295 2.135 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.268 -4.895 2.519 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.615 -3.870 3.819 1.00 0.00 H new ATOM 1264 N ILE A 81 0.707 -9.481 5.865 1.00 0.00 N ATOM 1265 CA ILE A 81 0.270 -9.756 7.226 1.00 0.00 C ATOM 1266 C ILE A 81 -0.616 -8.609 7.726 1.00 0.00 C ATOM 1267 O ILE A 81 -0.235 -7.820 8.586 1.00 0.00 O ATOM 1268 CB ILE A 81 1.489 -10.028 8.126 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.425 -11.113 7.561 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.090 -10.386 9.568 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.868 -12.538 7.660 1.00 0.00 C ATOM 0 H ILE A 81 0.535 -10.260 5.229 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.340 -10.659 7.255 1.00 0.00 H new ATOM 0 HB ILE A 81 2.038 -9.087 8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.633 -10.888 6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.376 -11.069 8.092 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.987 -10.568 10.159 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.528 -9.561 10.006 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.471 -11.283 9.562 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.588 -13.240 7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.687 -12.786 8.706 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.933 -12.602 7.104 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.820 -8.514 7.163 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.773 -7.480 7.515 1.00 0.00 C ATOM 1285 C PHE A 82 -4.172 -8.030 7.245 1.00 0.00 C ATOM 1286 O PHE A 82 -4.304 -9.045 6.558 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.456 -6.207 6.716 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.698 -4.931 7.489 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.698 -4.463 8.360 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.925 -4.249 7.393 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -1.918 -3.312 9.134 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.159 -3.124 8.199 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.159 -2.657 9.072 1.00 0.00 C ATOM 0 H PHE A 82 -2.156 -9.158 6.448 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.714 -7.206 8.568 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.414 -6.237 6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.064 -6.195 5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.758 -4.990 8.434 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.683 -4.589 6.703 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.136 -2.932 9.775 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.110 -2.615 8.149 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.346 -1.795 9.695 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.203 -7.391 7.799 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.586 -7.819 7.641 1.00 0.00 C ATOM 1305 C ALA A 83 -7.483 -6.586 7.590 1.00 0.00 C ATOM 1306 O ALA A 83 -7.694 -6.035 6.515 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.965 -8.808 8.751 1.00 0.00 C ATOM 0 H ALA A 83 -5.097 -6.555 8.374 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.721 -8.357 6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.001 -9.120 8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.314 -9.680 8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.850 -8.327 9.722 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.980 -6.140 8.745 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.757 -4.918 8.869 1.00 0.00 C ATOM 1315 C GLY A 84 -7.853 -3.785 9.340 1.00 0.00 C ATOM 1316 O GLY A 84 -6.772 -4.035 9.871 1.00 0.00 O ATOM 0 H GLY A 84 -7.849 -6.629 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.208 -4.663 7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.573 -5.064 9.576 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.306 -2.543 9.154 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.593 -1.337 9.558 1.00 0.00 C ATOM 1322 C ILE A 85 -8.350 -0.652 10.700 1.00 0.00 C ATOM 1323 O ILE A 85 -7.749 -0.267 11.701 1.00 0.00 O ATOM 1324 CB ILE A 85 -7.347 -0.441 8.326 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -6.516 0.805 8.671 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -8.634 -0.029 7.593 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -5.078 0.463 9.054 1.00 0.00 C ATOM 0 H ILE A 85 -9.202 -2.347 8.707 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.606 -1.577 9.953 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.775 -1.066 7.641 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.510 1.481 7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.991 1.337 9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.381 0.599 6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.156 -0.921 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.278 0.527 8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.536 1.379 9.288 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.079 -0.190 9.926 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.591 -0.044 8.221 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.677 -0.534 10.566 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.562 -0.002 11.581 1.00 0.00 C ATOM 1341 C LYS A 86 -12.003 -0.401 11.248 1.00 0.00 C ATOM 1342 O LYS A 86 -12.601 -1.196 11.966 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.381 1.520 11.671 1.00 0.00 C ATOM 1344 CG LYS A 86 -11.572 2.232 12.326 1.00 0.00 C ATOM 1345 CD LYS A 86 -11.249 3.633 12.854 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.364 3.610 14.110 1.00 0.00 C ATOM 1347 NZ LYS A 86 -9.519 4.815 14.178 1.00 0.00 N ATOM 0 H LYS A 86 -10.168 -0.818 9.718 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.321 -0.416 12.560 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.477 1.739 12.240 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.232 1.922 10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.381 2.307 11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.939 1.620 13.150 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.747 4.203 12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.179 4.154 13.081 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.990 3.549 15.000 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.735 2.720 14.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.930 4.778 15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.907 4.858 13.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.123 5.661 14.210 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.576 0.189 10.193 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.000 0.053 9.903 1.00 0.00 C ATOM 1363 C LYS A 87 -14.320 0.498 8.476 1.00 0.00 C ATOM 1364 O LYS A 87 -14.846 -0.287 7.695 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.825 0.845 10.940 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.340 0.604 10.854 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.703 -0.857 11.185 1.00 0.00 C ATOM 1368 CE LYS A 87 -17.314 -1.607 9.989 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.777 -1.411 9.892 1.00 0.00 N ATOM 0 H LYS A 87 -12.068 0.768 9.524 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.272 -1.000 9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.482 0.580 11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.629 1.909 10.808 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.855 1.272 11.544 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.691 0.848 9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.808 -1.382 11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.409 -0.872 12.016 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.842 -1.264 9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.097 -2.671 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.144 -1.935 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.232 -1.762 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.985 -0.398 9.777 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.044 1.766 8.154 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.322 2.331 6.837 1.00 0.00 C ATOM 1385 C LYS A 88 -13.502 3.601 6.620 1.00 0.00 C ATOM 1386 O LYS A 88 -12.800 3.703 5.625 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.826 2.590 6.656 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.110 3.267 5.307 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.618 3.357 5.035 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.952 4.535 4.105 1.00 0.00 C ATOM 1391 NZ LYS A 88 -17.893 5.836 4.805 1.00 0.00 N ATOM 0 H LYS A 88 -13.620 2.428 8.804 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.025 1.607 6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.371 1.648 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.190 3.221 7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.677 4.267 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.627 2.706 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.964 2.427 4.585 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.153 3.473 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.254 4.543 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.949 4.394 3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.207 6.591 4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.514 5.810 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.916 6.023 5.108 1.00 0.00 H new ATOM 1405 N THR A 89 -13.596 4.572 7.534 1.00 0.00 N ATOM 1406 CA THR A 89 -12.881 5.842 7.486 1.00 0.00 C ATOM 1407 C THR A 89 -11.428 5.637 7.041 1.00 0.00 C ATOM 1408 O THR A 89 -10.993 6.153 6.012 1.00 0.00 O ATOM 1409 CB THR A 89 -13.003 6.460 8.890 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.339 6.270 9.326 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.645 7.945 8.932 1.00 0.00 C ATOM 0 H THR A 89 -14.195 4.488 8.355 1.00 0.00 H new ATOM 0 HA THR A 89 -13.307 6.522 6.748 1.00 0.00 H new ATOM 0 HB THR A 89 -12.288 5.964 9.547 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.448 6.653 10.221 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.753 8.317 9.951 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.615 8.080 8.603 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.312 8.499 8.272 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.730 4.772 7.777 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.352 4.393 7.527 1.00 0.00 C ATOM 1421 C GLU A 90 -9.135 3.762 6.141 1.00 0.00 C ATOM 1422 O GLU A 90 -8.089 3.971 5.526 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.828 3.589 8.726 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.803 4.409 9.526 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.642 4.005 10.995 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -8.389 4.567 11.825 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.743 3.195 11.316 1.00 0.00 O ATOM 0 H GLU A 90 -11.129 4.303 8.591 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.731 5.286 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.659 3.307 9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.368 2.664 8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.833 4.325 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.091 5.459 9.485 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.145 3.057 5.619 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.145 2.465 4.283 1.00 0.00 C ATOM 1436 C ARG A 91 -10.288 3.528 3.183 1.00 0.00 C ATOM 1437 O ARG A 91 -10.191 3.195 2.007 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.243 1.382 4.198 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.105 0.435 2.995 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.033 0.790 1.819 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.376 0.204 1.953 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.451 0.518 1.214 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.435 1.573 0.392 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.541 -0.245 1.310 1.00 0.00 N ATOM 0 H ARG A 91 -11.009 2.879 6.132 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.179 1.990 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.226 0.792 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.216 1.871 4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.072 0.450 2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.317 -0.584 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.121 1.874 1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.582 0.443 0.889 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.501 -0.506 2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.598 2.151 0.321 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.260 1.799 -0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.547 -1.050 1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.369 -0.024 0.757 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.501 4.802 3.530 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.406 5.906 2.593 1.00 0.00 C ATOM 1460 C GLU A 92 -9.135 6.678 2.931 1.00 0.00 C ATOM 1461 O GLU A 92 -8.311 6.889 2.055 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.674 6.767 2.665 1.00 0.00 C ATOM 1463 CG GLU A 92 -11.723 7.801 1.526 1.00 0.00 C ATOM 1464 CD GLU A 92 -11.915 7.140 0.169 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.015 6.579 -0.013 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -10.965 7.217 -0.641 1.00 0.00 O ATOM 0 H GLU A 92 -10.745 5.089 4.478 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.340 5.560 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.554 6.125 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.711 7.281 3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.538 8.502 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.799 8.380 1.521 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.958 7.078 4.196 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.811 7.843 4.675 1.00 0.00 C ATOM 1475 C ASP A 93 -6.507 7.288 4.130 1.00 0.00 C ATOM 1476 O ASP A 93 -5.742 8.025 3.523 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.727 7.826 6.201 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.647 8.812 6.870 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.250 9.993 6.885 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.753 8.406 7.272 1.00 0.00 O ATOM 0 H ASP A 93 -9.632 6.870 4.933 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.956 8.864 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.963 6.823 6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.701 8.038 6.502 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.231 6.005 4.353 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.996 5.396 3.882 1.00 0.00 C ATOM 1487 C LEU A 94 -4.889 5.531 2.364 1.00 0.00 C ATOM 1488 O LEU A 94 -3.873 5.981 1.835 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.972 3.934 4.334 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.703 3.754 5.844 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.302 3.183 6.025 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.769 5.009 6.719 1.00 0.00 C ATOM 0 H LEU A 94 -6.849 5.369 4.858 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.131 5.905 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.927 3.471 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.205 3.402 3.772 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.514 3.106 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.098 3.050 7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.233 2.220 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.571 3.870 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.561 4.742 7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.029 5.732 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.764 5.448 6.651 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.980 5.218 1.667 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.071 5.329 0.220 1.00 0.00 C ATOM 1506 C ILE A 95 -6.360 6.783 -0.194 1.00 0.00 C ATOM 1507 O ILE A 95 -6.726 7.032 -1.342 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.060 4.263 -0.320 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.642 2.872 0.204 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.066 4.211 -1.859 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -7.406 2.414 1.440 1.00 0.00 C ATOM 0 H ILE A 95 -6.836 4.875 2.102 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.116 5.102 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.058 4.536 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.785 2.139 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.577 2.888 0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.772 3.451 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.363 5.182 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.067 3.962 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.052 1.429 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.243 3.123 2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.470 2.362 1.211 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.140 7.766 0.694 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.178 9.177 0.354 1.00 0.00 C ATOM 1525 C ALA A 96 -4.776 9.752 0.539 1.00 0.00 C ATOM 1526 O ALA A 96 -4.265 10.425 -0.353 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.247 9.881 1.193 1.00 0.00 C ATOM 0 H ALA A 96 -5.929 7.590 1.676 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.461 9.333 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.273 10.940 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.221 9.434 0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.010 9.771 2.251 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.109 9.432 1.654 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.717 9.784 1.863 1.00 0.00 C ATOM 1535 C TYR A 97 -1.894 9.352 0.670 1.00 0.00 C ATOM 1536 O TYR A 97 -1.188 10.164 0.092 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.123 9.133 3.115 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.599 9.221 3.191 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.083 10.366 2.728 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.153 8.120 3.633 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.484 10.453 2.797 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.555 8.183 3.630 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.222 9.359 3.266 1.00 0.00 C ATOM 1544 OH TYR A 97 3.578 9.398 3.268 1.00 0.00 O ATOM 0 H TYR A 97 -4.527 8.921 2.432 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.686 10.866 1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.550 9.609 3.998 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.419 8.084 3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.481 11.189 2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.347 7.226 3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.988 11.358 2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.128 7.312 3.912 1.00 0.00 H new ATOM 0 HH TYR A 97 3.887 9.980 3.993 1.00 0.00 H new ATOM 1554 N LEU A 98 -1.953 8.079 0.298 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.060 7.591 -0.742 1.00 0.00 C ATOM 1556 C LEU A 98 -1.296 8.312 -2.074 1.00 0.00 C ATOM 1557 O LEU A 98 -0.392 8.397 -2.908 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.147 6.070 -0.826 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.816 5.416 0.528 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.031 3.904 0.435 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.601 5.734 1.024 1.00 0.00 C ATOM 0 H LEU A 98 -2.590 7.385 0.688 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.029 7.830 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.149 5.777 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.457 5.705 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.495 5.842 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.796 3.443 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.071 3.699 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.380 3.491 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.770 5.243 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.330 5.374 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.711 6.812 1.144 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.487 8.894 -2.235 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.876 9.663 -3.408 1.00 0.00 C ATOM 1575 C LYS A 99 -2.066 10.958 -3.528 1.00 0.00 C ATOM 1576 O LYS A 99 -1.903 11.480 -4.628 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.384 9.937 -3.327 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.086 9.861 -4.688 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.602 9.721 -4.473 1.00 0.00 C ATOM 1580 CE LYS A 99 -6.924 8.252 -4.164 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.267 8.048 -3.580 1.00 0.00 N ATOM 0 H LYS A 99 -3.223 8.839 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.660 9.090 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.842 9.217 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.544 10.926 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.871 10.757 -5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.708 9.012 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.927 10.360 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.141 10.047 -5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.845 7.671 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.175 7.862 -3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.184 7.490 -2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.695 8.971 -3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.868 7.539 -4.260 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.547 11.455 -2.401 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.595 12.556 -2.341 1.00 0.00 C ATOM 1597 C LYS A 100 0.823 12.037 -2.106 1.00 0.00 C ATOM 1598 O LYS A 100 1.762 12.713 -2.488 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.980 13.623 -1.297 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.938 13.128 0.155 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.685 14.230 1.198 1.00 0.00 C ATOM 1602 CE LYS A 100 0.805 14.422 1.525 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.580 15.182 0.529 1.00 0.00 N ATOM 0 H LYS A 100 -1.788 11.088 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.625 13.052 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.306 14.474 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.985 13.984 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.884 12.637 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.157 12.373 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.094 15.171 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.223 13.985 2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.886 14.929 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.263 13.440 1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.573 15.241 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.528 14.701 -0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.187 16.141 0.442 1.00 0.00 H new ATOM 1617 N ALA A 101 1.015 10.874 -1.472 1.00 0.00 N ATOM 1618 CA ALA A 101 2.351 10.361 -1.178 1.00 0.00 C ATOM 1619 C ALA A 101 3.072 10.043 -2.480 1.00 0.00 C ATOM 1620 O ALA A 101 4.269 10.263 -2.624 1.00 0.00 O ATOM 1621 CB ALA A 101 2.289 9.110 -0.300 1.00 0.00 C ATOM 0 H ALA A 101 0.256 10.271 -1.153 1.00 0.00 H new ATOM 0 HA ALA A 101 2.898 11.128 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.300 8.755 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.797 9.351 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.726 8.332 -0.815 1.00 0.00 H new ATOM 1627 N THR A 102 2.304 9.542 -3.452 1.00 0.00 N ATOM 1628 CA THR A 102 2.780 9.297 -4.801 1.00 0.00 C ATOM 1629 C THR A 102 3.257 10.586 -5.488 1.00 0.00 C ATOM 1630 O THR A 102 3.871 10.498 -6.549 1.00 0.00 O ATOM 1631 CB THR A 102 1.674 8.575 -5.593 1.00 0.00 C ATOM 1632 OG1 THR A 102 2.180 7.935 -6.747 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.549 9.535 -5.993 1.00 0.00 C ATOM 0 H THR A 102 1.324 9.295 -3.314 1.00 0.00 H new ATOM 0 HA THR A 102 3.659 8.653 -4.763 1.00 0.00 H new ATOM 0 HB THR A 102 1.269 7.814 -4.926 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.919 8.463 -7.116 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.213 8.990 -6.550 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.104 9.967 -5.097 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.955 10.331 -6.617 1.00 0.00 H new ATOM 1641 N ASN A 103 2.948 11.762 -4.926 1.00 0.00 N ATOM 1642 CA ASN A 103 3.407 13.052 -5.425 1.00 0.00 C ATOM 1643 C ASN A 103 3.476 14.053 -4.270 1.00 0.00 C ATOM 1644 O ASN A 103 2.686 15.000 -4.235 1.00 0.00 O ATOM 1645 CB ASN A 103 2.450 13.533 -6.526 1.00 0.00 C ATOM 1646 CG ASN A 103 2.868 14.879 -7.114 1.00 0.00 C ATOM 1647 OD1 ASN A 103 4.047 15.212 -7.161 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.905 15.661 -7.594 1.00 0.00 N ATOM 0 H ASN A 103 2.360 11.838 -4.096 1.00 0.00 H new ATOM 0 HA ASN A 103 4.406 12.960 -5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.412 12.788 -7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.443 13.615 -6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.140 16.561 -8.013 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.931 15.361 -7.543 1.00 0.00 H new ATOM 1655 N GLU A 104 4.385 13.829 -3.313 1.00 0.00 N ATOM 1656 CA GLU A 104 4.698 14.804 -2.282 1.00 0.00 C ATOM 1657 C GLU A 104 6.159 15.233 -2.353 1.00 0.00 C ATOM 1658 O GLU A 104 6.452 16.318 -1.803 1.00 0.00 O ATOM 1659 CB GLU A 104 4.257 14.342 -0.888 1.00 0.00 C ATOM 1660 CG GLU A 104 5.020 13.288 -0.064 1.00 0.00 C ATOM 1661 CD GLU A 104 4.760 13.573 1.412 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.653 14.104 1.685 1.00 0.00 O ATOM 1663 OE2 GLU A 104 5.659 13.307 2.230 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.942 14.485 -2.981 1.00 0.00 O ATOM 0 H GLU A 104 4.920 12.964 -3.239 1.00 0.00 H new ATOM 0 HA GLU A 104 4.108 15.699 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.206 15.238 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.238 13.970 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.685 12.284 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.087 13.334 -0.280 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.872 -3.286 2.839 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.631 -4.527 -0.337 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.037 -0.753 1.527 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.127 -2.327 6.056 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.958 -5.764 4.213 1.00 0.00 C HETATM 1677 NA HEC A 105 1.373 -2.764 0.930 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.801 -3.394 -0.213 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.244 -2.658 -1.329 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.508 -1.609 -0.813 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.617 -1.669 0.629 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.308 -0.620 -1.612 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.337 -3.056 -2.785 1.00 0.00 C HETATM 1684 CBA HEC A 105 2.224 -2.216 -3.720 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.652 -1.937 -3.284 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.975 -2.201 -2.110 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.411 -1.480 -4.171 1.00 0.00 O HETATM 1688 NB HEC A 105 0.795 -1.810 3.648 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.132 -0.869 2.928 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.458 0.045 3.880 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.231 -0.462 5.147 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.618 -1.605 4.986 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.112 1.352 3.523 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.830 -0.032 6.476 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.354 -0.123 6.485 1.00 0.00 C HETATM 1696 NC HEC A 105 2.419 -3.941 4.774 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.986 -3.378 5.915 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.604 -4.041 7.030 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.487 -4.952 6.506 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.295 -4.929 5.076 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.375 -3.695 8.478 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.643 -5.625 7.215 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.253 -6.776 8.141 1.00 0.00 C HETATM 1704 ND HEC A 105 3.074 -4.874 2.075 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.819 -5.725 2.838 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.452 -6.671 1.959 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.087 -6.339 0.680 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.212 -5.186 0.753 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.359 -7.821 2.348 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.447 -7.197 -0.498 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.528 -8.417 -0.562 1.00 0.00 C HETATM 1712 CGD HEC A 105 4.222 -9.599 -1.205 1.00 0.00 C HETATM 1713 O1D HEC A 105 5.332 -9.940 -0.744 1.00 0.00 O HETATM 1714 O2D HEC A 105 3.635 -10.143 -2.161 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.234 -7.434 2.870 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.819 -8.505 3.003 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.677 -8.353 1.451 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.671 -2.661 8.656 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.319 -3.817 8.719 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.969 -4.356 9.109 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.388 1.998 3.026 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -1.952 1.168 2.854 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.471 1.839 4.430 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.343 -0.088 -2.306 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.078 -1.151 -2.171 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.778 0.094 -0.936 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 3.207 -8.685 0.444 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 2.630 -8.169 -1.128 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.584 -6.407 8.918 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.748 -7.551 7.565 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.149 -7.192 8.601 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.762 0.523 5.708 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.658 -1.153 6.297 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.732 0.195 7.457 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 2.262 -2.719 -4.686 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 1.729 -1.258 -3.878 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.361 -6.619 -1.418 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.486 -7.518 -0.419 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.694 -4.085 -2.825 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.327 -3.053 -3.195 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.636 -6.504 4.638 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.825 -2.039 7.063 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.516 0.092 1.116 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.831 -4.911 -1.337 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.674 -2.201 -4.780 1.00 0.00 H new