USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 79 LYS NZ :NH3+ -142:sc= 2.32 (180deg=1.2) USER MOD Set 1.2: A 110 HEC O2D : rot -140:sc= 0.489 USER MOD Single : A 1 GLY N :NH3+ -148:sc= 0.89 (180deg=0.6) USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.14) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0359 K(o=-0.036,f=-0.75) USER MOD Single : A 13 LYS NZ :NH3+ 126:sc= -0.0209 (180deg=-0.133) USER MOD Single : A 16 GLN : amide:sc= -0.0689 K(o=-0.069,f=-2!) USER MOD Single : A 19 THR OG1 : rot 166:sc= 0.335 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.692 K(o=0.69,f=-2) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 120:sc= 1.22 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.625 K(o=0.62,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -104:sc= 0.0692 (180deg=-0.129) USER MOD Single : A 58 THR OG1 : rot 28:sc= 0.066 USER MOD Single : A 60 LYS NZ :NH3+ -131:sc= 0.887 (180deg=-1.34!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 65 MET CE :methyl -174:sc= 0 (180deg=-0.0501) USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.598 X(o=-0.6,f=-0.71) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= 1.15 (180deg=0.402) USER MOD Single : A 74 TYR OH : rot -35:sc= 1.25 USER MOD Single : A 78 THR OG1 : rot 79:sc= -1.02 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= 1.12 (180deg=0.997) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -81:sc= 1.22 USER MOD Single : A 103 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.1!) USER MOD Single : A 110 HEC O2A : rot 177:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.948 -4.036 -14.278 1.00 10.00 N ATOM 2 CA GLY A 1 -4.566 -3.908 -14.649 1.00 10.00 C ATOM 3 C GLY A 1 -4.114 -5.331 -14.952 1.00 10.00 C ATOM 4 O GLY A 1 -4.902 -6.266 -14.810 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.466 -3.183 -14.571 1.00 10.00 H new ATOM 0 H2 GLY A 1 -6.358 -4.868 -14.748 1.00 10.00 H new ATOM 0 H3 GLY A 1 -6.022 -4.149 -13.247 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -4.448 -3.261 -15.518 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.978 -3.469 -13.843 1.00 10.00 H new ATOM 10 N ASP A 2 -2.900 -5.445 -15.420 1.00 10.00 N ATOM 11 CA ASP A 2 -2.149 -6.661 -15.706 1.00 10.00 C ATOM 12 C ASP A 2 -1.640 -7.294 -14.403 1.00 10.00 C ATOM 13 O ASP A 2 -0.849 -6.682 -13.692 1.00 10.00 O ATOM 14 CB ASP A 2 -0.961 -6.290 -16.600 1.00 10.00 C ATOM 15 CG ASP A 2 -0.223 -7.502 -17.141 1.00 10.00 C ATOM 16 OD1 ASP A 2 -0.095 -8.483 -16.377 1.00 10.00 O ATOM 17 OD2 ASP A 2 0.269 -7.412 -18.283 1.00 10.00 O ATOM 0 H ASP A 2 -2.349 -4.614 -15.635 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.793 -7.383 -16.208 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -1.316 -5.686 -17.435 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -0.266 -5.672 -16.032 1.00 10.00 H new ATOM 22 N VAL A 3 -2.067 -8.518 -14.081 1.00 10.00 N ATOM 23 CA VAL A 3 -1.569 -9.254 -12.920 1.00 10.00 C ATOM 24 C VAL A 3 -0.080 -9.598 -13.077 1.00 10.00 C ATOM 25 O VAL A 3 0.677 -9.515 -12.108 1.00 10.00 O ATOM 26 CB VAL A 3 -2.421 -10.523 -12.708 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.951 -11.370 -11.516 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.895 -10.147 -12.490 1.00 10.00 C ATOM 0 H VAL A 3 -2.769 -9.026 -14.620 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.658 -8.622 -12.036 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.304 -11.120 -13.612 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.590 -12.248 -11.419 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.921 -11.687 -11.679 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.008 -10.777 -10.603 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.483 -11.053 -12.342 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.982 -9.510 -11.610 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.267 -9.611 -13.363 1.00 10.00 H new ATOM 38 N GLU A 4 0.351 -10.010 -14.272 1.00 10.00 N ATOM 39 CA GLU A 4 1.730 -10.409 -14.502 1.00 10.00 C ATOM 40 C GLU A 4 2.623 -9.188 -14.370 1.00 10.00 C ATOM 41 O GLU A 4 3.556 -9.183 -13.565 1.00 10.00 O ATOM 42 CB GLU A 4 1.897 -11.045 -15.890 1.00 10.00 C ATOM 43 CG GLU A 4 1.955 -12.576 -15.790 1.00 10.00 C ATOM 44 CD GLU A 4 3.228 -13.051 -15.084 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.319 -12.800 -15.640 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.108 -13.617 -13.972 1.00 10.00 O ATOM 0 H GLU A 4 -0.245 -10.074 -15.097 1.00 10.00 H new ATOM 0 HA GLU A 4 2.013 -11.157 -13.761 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.067 -10.750 -16.531 1.00 10.00 H new ATOM 0 HB3 GLU A 4 2.809 -10.673 -16.357 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.082 -12.938 -15.248 1.00 10.00 H new ATOM 0 HG3 GLU A 4 1.911 -13.008 -16.790 1.00 10.00 H new ATOM 53 N LYS A 5 2.335 -8.135 -15.139 1.00 10.00 N ATOM 54 CA LYS A 5 3.101 -6.919 -14.965 1.00 10.00 C ATOM 55 C LYS A 5 2.983 -6.466 -13.517 1.00 10.00 C ATOM 56 O LYS A 5 4.009 -6.233 -12.902 1.00 10.00 O ATOM 57 CB LYS A 5 2.819 -5.813 -15.979 1.00 10.00 C ATOM 58 CG LYS A 5 3.525 -6.019 -17.327 1.00 10.00 C ATOM 59 CD LYS A 5 4.175 -4.709 -17.814 1.00 10.00 C ATOM 60 CE LYS A 5 5.505 -4.416 -17.093 1.00 10.00 C ATOM 61 NZ LYS A 5 6.078 -3.101 -17.467 1.00 10.00 N ATOM 0 H LYS A 5 1.609 -8.105 -15.855 1.00 10.00 H new ATOM 0 HA LYS A 5 4.141 -7.158 -15.185 1.00 10.00 H new ATOM 0 HB2 LYS A 5 1.744 -5.752 -16.147 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.131 -4.857 -15.558 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.286 -6.793 -17.229 1.00 10.00 H new ATOM 0 HG3 LYS A 5 2.807 -6.371 -18.068 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.352 -4.770 -18.888 1.00 10.00 H new ATOM 0 HD3 LYS A 5 3.485 -3.881 -17.651 1.00 10.00 H new ATOM 0 HE2 LYS A 5 5.344 -4.445 -16.015 1.00 10.00 H new ATOM 0 HE3 LYS A 5 6.223 -5.201 -17.329 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.018 -2.996 -17.035 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.164 -3.041 -18.502 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 5.454 -2.341 -17.127 1.00 10.00 H new ATOM 75 N GLY A 6 1.783 -6.426 -12.941 1.00 10.00 N ATOM 76 CA GLY A 6 1.562 -6.127 -11.533 1.00 10.00 C ATOM 77 C GLY A 6 2.551 -6.817 -10.593 1.00 10.00 C ATOM 78 O GLY A 6 3.128 -6.181 -9.706 1.00 10.00 O ATOM 0 H GLY A 6 0.920 -6.605 -13.454 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.627 -5.049 -11.386 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.549 -6.425 -11.262 1.00 10.00 H new ATOM 82 N LYS A 7 2.751 -8.123 -10.790 1.00 10.00 N ATOM 83 CA LYS A 7 3.630 -8.940 -9.985 1.00 10.00 C ATOM 84 C LYS A 7 5.028 -8.357 -10.085 1.00 10.00 C ATOM 85 O LYS A 7 5.664 -8.039 -9.080 1.00 10.00 O ATOM 86 CB LYS A 7 3.549 -10.389 -10.491 1.00 10.00 C ATOM 87 CG LYS A 7 4.436 -11.360 -9.711 1.00 10.00 C ATOM 88 CD LYS A 7 4.347 -12.757 -10.349 1.00 10.00 C ATOM 89 CE LYS A 7 4.228 -13.850 -9.279 1.00 10.00 C ATOM 90 NZ LYS A 7 4.251 -15.203 -9.872 1.00 10.00 N ATOM 0 H LYS A 7 2.289 -8.644 -11.535 1.00 10.00 H new ATOM 0 HA LYS A 7 3.343 -8.947 -8.934 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.515 -10.728 -10.433 1.00 10.00 H new ATOM 0 HB3 LYS A 7 3.834 -10.414 -11.543 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.469 -11.011 -9.716 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.119 -11.403 -8.669 1.00 10.00 H new ATOM 0 HD2 LYS A 7 3.485 -12.801 -11.015 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.231 -12.937 -10.960 1.00 10.00 H new ATOM 0 HE2 LYS A 7 5.047 -13.752 -8.566 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.302 -13.713 -8.721 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.168 -15.914 -9.118 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.455 -15.306 -10.533 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.146 -15.343 -10.383 1.00 10.00 H new ATOM 104 N LYS A 8 5.504 -8.209 -11.320 1.00 10.00 N ATOM 105 CA LYS A 8 6.851 -7.730 -11.533 1.00 10.00 C ATOM 106 C LYS A 8 6.996 -6.279 -11.060 1.00 10.00 C ATOM 107 O LYS A 8 8.020 -5.914 -10.498 1.00 10.00 O ATOM 108 CB LYS A 8 7.290 -7.935 -12.988 1.00 10.00 C ATOM 109 CG LYS A 8 7.799 -9.360 -13.274 1.00 10.00 C ATOM 110 CD LYS A 8 6.699 -10.421 -13.105 1.00 10.00 C ATOM 111 CE LYS A 8 6.989 -11.744 -13.830 1.00 10.00 C ATOM 112 NZ LYS A 8 7.926 -12.616 -13.095 1.00 10.00 N ATOM 0 H LYS A 8 4.979 -8.413 -12.171 1.00 10.00 H new ATOM 0 HA LYS A 8 7.532 -8.325 -10.924 1.00 10.00 H new ATOM 0 HB2 LYS A 8 6.450 -7.717 -13.648 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.077 -7.220 -13.227 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.191 -9.406 -14.290 1.00 10.00 H new ATOM 0 HG3 LYS A 8 8.627 -9.589 -12.603 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.564 -10.623 -12.042 1.00 10.00 H new ATOM 0 HD3 LYS A 8 5.757 -10.015 -13.475 1.00 10.00 H new ATOM 0 HE2 LYS A 8 6.052 -12.278 -13.986 1.00 10.00 H new ATOM 0 HE3 LYS A 8 7.401 -11.528 -14.816 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 8.081 -13.492 -13.634 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 8.832 -12.122 -12.968 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 7.525 -12.849 -12.164 1.00 10.00 H new ATOM 126 N ILE A 9 5.979 -5.444 -11.249 1.00 10.00 N ATOM 127 CA ILE A 9 5.963 -4.065 -10.816 1.00 10.00 C ATOM 128 C ILE A 9 6.181 -4.038 -9.311 1.00 10.00 C ATOM 129 O ILE A 9 7.146 -3.431 -8.867 1.00 10.00 O ATOM 130 CB ILE A 9 4.647 -3.398 -11.245 1.00 10.00 C ATOM 131 CG1 ILE A 9 4.596 -3.223 -12.772 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.458 -2.025 -10.596 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.161 -2.962 -13.227 1.00 10.00 C ATOM 0 H ILE A 9 5.120 -5.724 -11.723 1.00 10.00 H new ATOM 0 HA ILE A 9 6.764 -3.492 -11.284 1.00 10.00 H new ATOM 0 HB ILE A 9 3.846 -4.058 -10.913 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.236 -2.393 -13.072 1.00 10.00 H new ATOM 0 HG13 ILE A 9 4.983 -4.117 -13.261 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.515 -1.592 -10.929 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.445 -2.134 -9.512 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.280 -1.370 -10.885 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.139 -2.840 -14.310 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.531 -3.805 -12.944 1.00 10.00 H new ATOM 0 HD13 ILE A 9 2.788 -2.055 -12.752 1.00 10.00 H new ATOM 145 N PHE A 10 5.326 -4.701 -8.530 1.00 10.00 N ATOM 146 CA PHE A 10 5.485 -4.761 -7.080 1.00 10.00 C ATOM 147 C PHE A 10 6.946 -5.061 -6.698 1.00 10.00 C ATOM 148 O PHE A 10 7.539 -4.366 -5.866 1.00 10.00 O ATOM 149 CB PHE A 10 4.508 -5.803 -6.525 1.00 10.00 C ATOM 150 CG PHE A 10 4.558 -5.952 -5.020 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.849 -5.057 -4.196 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.341 -6.967 -4.440 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.875 -5.213 -2.801 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.396 -7.099 -3.043 1.00 10.00 C ATOM 155 CZ PHE A 10 4.635 -6.245 -2.228 1.00 10.00 C ATOM 0 H PHE A 10 4.513 -5.206 -8.882 1.00 10.00 H new ATOM 0 HA PHE A 10 5.250 -3.794 -6.636 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.495 -5.529 -6.819 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.723 -6.768 -6.983 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.284 -4.249 -4.638 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.900 -7.644 -5.069 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.312 -4.541 -2.170 1.00 10.00 H new ATOM 0 HE2 PHE A 10 6.023 -7.856 -2.596 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.634 -6.383 -1.157 1.00 10.00 H new ATOM 165 N VAL A 11 7.531 -6.059 -7.373 1.00 10.00 N ATOM 166 CA VAL A 11 8.911 -6.500 -7.189 1.00 10.00 C ATOM 167 C VAL A 11 9.944 -5.446 -7.627 1.00 10.00 C ATOM 168 O VAL A 11 11.024 -5.355 -7.051 1.00 10.00 O ATOM 169 CB VAL A 11 9.126 -7.839 -7.913 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.579 -8.322 -7.818 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.234 -8.919 -7.298 1.00 10.00 C ATOM 0 H VAL A 11 7.036 -6.597 -8.085 1.00 10.00 H new ATOM 0 HA VAL A 11 9.074 -6.640 -6.120 1.00 10.00 H new ATOM 0 HB VAL A 11 8.875 -7.671 -8.960 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.682 -9.271 -8.344 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.239 -7.582 -8.272 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.850 -8.456 -6.771 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.394 -9.863 -7.818 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.482 -9.039 -6.244 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.189 -8.625 -7.393 1.00 10.00 H new ATOM 181 N GLN A 12 9.658 -4.672 -8.672 1.00 10.00 N ATOM 182 CA GLN A 12 10.572 -3.659 -9.190 1.00 10.00 C ATOM 183 C GLN A 12 10.380 -2.300 -8.511 1.00 10.00 C ATOM 184 O GLN A 12 11.212 -1.413 -8.682 1.00 10.00 O ATOM 185 CB GLN A 12 10.372 -3.547 -10.702 1.00 10.00 C ATOM 186 CG GLN A 12 10.800 -4.847 -11.394 1.00 10.00 C ATOM 187 CD GLN A 12 10.436 -4.836 -12.873 1.00 10.00 C ATOM 188 OE1 GLN A 12 10.135 -3.793 -13.453 1.00 10.00 O ATOM 189 NE2 GLN A 12 10.431 -6.010 -13.492 1.00 10.00 N ATOM 0 H GLN A 12 8.779 -4.731 -9.186 1.00 10.00 H new ATOM 0 HA GLN A 12 11.594 -3.968 -8.970 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.325 -3.337 -10.923 1.00 10.00 H new ATOM 0 HB3 GLN A 12 10.953 -2.711 -11.092 1.00 10.00 H new ATOM 0 HG2 GLN A 12 11.876 -4.982 -11.284 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.320 -5.696 -10.906 1.00 10.00 H new ATOM 0 HE21 GLN A 12 10.686 -6.856 -12.983 1.00 10.00 H new ATOM 0 HE22 GLN A 12 10.172 -6.066 -14.477 1.00 10.00 H new ATOM 198 N LYS A 13 9.263 -2.103 -7.807 1.00 10.00 N ATOM 199 CA LYS A 13 8.902 -0.841 -7.180 1.00 10.00 C ATOM 200 C LYS A 13 9.162 -0.879 -5.678 1.00 10.00 C ATOM 201 O LYS A 13 9.878 -0.022 -5.165 1.00 10.00 O ATOM 202 CB LYS A 13 7.422 -0.544 -7.439 1.00 10.00 C ATOM 203 CG LYS A 13 7.142 0.174 -8.762 1.00 10.00 C ATOM 204 CD LYS A 13 7.863 -0.409 -9.978 1.00 10.00 C ATOM 205 CE LYS A 13 7.379 0.236 -11.281 1.00 10.00 C ATOM 206 NZ LYS A 13 7.550 -0.699 -12.412 1.00 10.00 N ATOM 0 H LYS A 13 8.572 -2.838 -7.657 1.00 10.00 H new ATOM 0 HA LYS A 13 9.519 -0.054 -7.614 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.868 -1.483 -7.425 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.038 0.065 -6.621 1.00 10.00 H new ATOM 0 HG2 LYS A 13 6.069 0.152 -8.950 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.426 1.221 -8.657 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.937 -0.257 -9.873 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.696 -1.485 -10.020 1.00 10.00 H new ATOM 0 HE2 LYS A 13 6.330 0.516 -11.188 1.00 10.00 H new ATOM 0 HE3 LYS A 13 7.938 1.152 -11.470 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 6.643 -0.812 -12.909 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 8.261 -0.321 -13.070 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 7.866 -1.623 -12.054 1.00 10.00 H new ATOM 220 N CYS A 14 8.512 -1.806 -4.967 1.00 10.00 N ATOM 221 CA CYS A 14 8.369 -1.715 -3.518 1.00 10.00 C ATOM 222 C CYS A 14 9.195 -2.829 -2.862 1.00 10.00 C ATOM 223 O CYS A 14 10.112 -2.541 -2.099 1.00 10.00 O ATOM 224 CB CYS A 14 6.901 -1.706 -3.110 1.00 10.00 C ATOM 225 SG CYS A 14 5.730 -1.196 -4.437 1.00 10.00 S ATOM 0 H CYS A 14 8.076 -2.631 -5.378 1.00 10.00 H new ATOM 0 HA CYS A 14 8.766 -0.766 -3.157 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.628 -2.704 -2.769 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.779 -1.034 -2.260 1.00 10.00 H new ATOM 230 N ALA A 15 8.885 -4.086 -3.197 1.00 10.00 N ATOM 231 CA ALA A 15 9.592 -5.324 -2.854 1.00 10.00 C ATOM 232 C ALA A 15 10.371 -5.333 -1.537 1.00 10.00 C ATOM 233 O ALA A 15 9.884 -5.845 -0.534 1.00 10.00 O ATOM 234 CB ALA A 15 10.467 -5.749 -4.032 1.00 10.00 C ATOM 0 H ALA A 15 8.060 -4.280 -3.765 1.00 10.00 H new ATOM 0 HA ALA A 15 8.808 -6.057 -2.665 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.994 -6.669 -3.780 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.841 -5.918 -4.908 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.191 -4.964 -4.249 1.00 10.00 H new ATOM 240 N GLN A 16 11.590 -4.792 -1.491 1.00 10.00 N ATOM 241 CA GLN A 16 12.343 -4.691 -0.257 1.00 10.00 C ATOM 242 C GLN A 16 11.806 -3.530 0.599 1.00 10.00 C ATOM 243 O GLN A 16 12.561 -2.664 1.033 1.00 10.00 O ATOM 244 CB GLN A 16 13.837 -4.583 -0.587 1.00 10.00 C ATOM 245 CG GLN A 16 14.400 -5.881 -1.201 1.00 10.00 C ATOM 246 CD GLN A 16 14.449 -5.897 -2.728 1.00 10.00 C ATOM 247 OE1 GLN A 16 14.204 -4.894 -3.390 1.00 10.00 O ATOM 248 NE2 GLN A 16 14.785 -7.046 -3.310 1.00 10.00 N ATOM 0 H GLN A 16 12.073 -4.416 -2.307 1.00 10.00 H new ATOM 0 HA GLN A 16 12.218 -5.588 0.350 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.994 -3.758 -1.282 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.390 -4.344 0.321 1.00 10.00 H new ATOM 0 HG2 GLN A 16 15.408 -6.041 -0.817 1.00 10.00 H new ATOM 0 HG3 GLN A 16 13.793 -6.720 -0.862 1.00 10.00 H new ATOM 0 HE21 GLN A 16 14.985 -7.868 -2.739 1.00 10.00 H new ATOM 0 HE22 GLN A 16 14.843 -7.105 -4.327 1.00 10.00 H new ATOM 257 N CYS A 17 10.500 -3.568 0.885 1.00 10.00 N ATOM 258 CA CYS A 17 9.814 -2.785 1.904 1.00 10.00 C ATOM 259 C CYS A 17 8.448 -3.412 2.207 1.00 10.00 C ATOM 260 O CYS A 17 8.061 -3.443 3.372 1.00 10.00 O ATOM 261 CB CYS A 17 9.685 -1.309 1.574 1.00 10.00 C ATOM 262 SG CYS A 17 9.323 -0.458 3.149 1.00 10.00 S ATOM 0 H CYS A 17 9.862 -4.183 0.379 1.00 10.00 H new ATOM 0 HA CYS A 17 10.440 -2.817 2.796 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.605 -0.929 1.130 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.888 -1.141 0.850 1.00 10.00 H new ATOM 267 N HIS A 18 7.729 -3.914 1.188 1.00 10.00 N ATOM 268 CA HIS A 18 6.443 -4.588 1.358 1.00 10.00 C ATOM 269 C HIS A 18 6.499 -6.026 0.891 1.00 10.00 C ATOM 270 O HIS A 18 7.274 -6.383 0.011 1.00 10.00 O ATOM 271 CB HIS A 18 5.364 -3.916 0.517 1.00 10.00 C ATOM 272 CG HIS A 18 4.691 -2.796 1.229 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.714 -2.898 2.197 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.752 -1.506 0.816 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.182 -1.670 2.331 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.801 -0.786 1.525 1.00 10.00 N ATOM 0 H HIS A 18 8.033 -3.859 0.216 1.00 10.00 H new ATOM 0 HA HIS A 18 6.215 -4.535 2.423 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.810 -3.539 -0.404 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.619 -4.658 0.230 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.448 -3.738 2.710 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.422 -1.109 0.068 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.367 -1.425 2.996 1.00 10.00 H new ATOM 284 N THR A 19 5.555 -6.804 1.406 1.00 10.00 N ATOM 285 CA THR A 19 5.371 -8.191 1.067 1.00 10.00 C ATOM 286 C THR A 19 3.873 -8.415 0.849 1.00 10.00 C ATOM 287 O THR A 19 3.077 -7.661 1.411 1.00 10.00 O ATOM 288 CB THR A 19 5.925 -9.018 2.233 1.00 10.00 C ATOM 289 OG1 THR A 19 7.151 -8.513 2.737 1.00 10.00 O ATOM 290 CG2 THR A 19 6.162 -10.420 1.719 1.00 10.00 C ATOM 0 H THR A 19 4.880 -6.467 2.092 1.00 10.00 H new ATOM 0 HA THR A 19 5.893 -8.487 0.157 1.00 10.00 H new ATOM 0 HB THR A 19 5.203 -8.983 3.049 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.345 -8.929 3.603 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.558 -11.040 2.523 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.221 -10.842 1.365 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.878 -10.390 0.898 1.00 10.00 H new ATOM 298 N VAL A 20 3.492 -9.396 0.025 1.00 10.00 N ATOM 299 CA VAL A 20 2.109 -9.787 -0.222 1.00 10.00 C ATOM 300 C VAL A 20 2.053 -11.303 -0.347 1.00 10.00 C ATOM 301 O VAL A 20 1.551 -11.851 -1.327 1.00 10.00 O ATOM 302 CB VAL A 20 1.513 -9.075 -1.448 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.249 -7.619 -1.099 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.387 -9.136 -2.701 1.00 10.00 C ATOM 0 H VAL A 20 4.162 -9.955 -0.503 1.00 10.00 H new ATOM 0 HA VAL A 20 1.489 -9.474 0.618 1.00 10.00 H new ATOM 0 HB VAL A 20 0.593 -9.607 -1.691 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.826 -7.108 -1.964 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.547 -7.566 -0.267 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.185 -7.138 -0.815 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.891 -8.610 -3.516 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.349 -8.665 -2.497 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.545 -10.177 -2.984 1.00 10.00 H new ATOM 314 N GLU A 21 2.558 -11.967 0.688 1.00 10.00 N ATOM 315 CA GLU A 21 2.514 -13.400 0.830 1.00 10.00 C ATOM 316 C GLU A 21 2.421 -13.702 2.319 1.00 10.00 C ATOM 317 O GLU A 21 2.833 -12.888 3.153 1.00 10.00 O ATOM 318 CB GLU A 21 3.683 -14.086 0.105 1.00 10.00 C ATOM 319 CG GLU A 21 5.064 -13.508 0.436 1.00 10.00 C ATOM 320 CD GLU A 21 5.598 -12.544 -0.628 1.00 10.00 C ATOM 321 OE1 GLU A 21 4.973 -11.479 -0.838 1.00 10.00 O ATOM 322 OE2 GLU A 21 6.655 -12.878 -1.204 1.00 10.00 O ATOM 0 H GLU A 21 3.020 -11.500 1.468 1.00 10.00 H new ATOM 0 HA GLU A 21 1.636 -13.821 0.339 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.677 -15.147 0.356 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.521 -14.012 -0.970 1.00 10.00 H new ATOM 0 HG2 GLU A 21 5.011 -12.987 1.392 1.00 10.00 H new ATOM 0 HG3 GLU A 21 5.772 -14.328 0.559 1.00 10.00 H new ATOM 329 N LYS A 22 1.818 -14.836 2.673 1.00 10.00 N ATOM 330 CA LYS A 22 1.787 -15.260 4.063 1.00 10.00 C ATOM 331 C LYS A 22 3.214 -15.320 4.629 1.00 10.00 C ATOM 332 O LYS A 22 4.158 -15.697 3.939 1.00 10.00 O ATOM 333 CB LYS A 22 1.031 -16.590 4.183 1.00 10.00 C ATOM 334 CG LYS A 22 1.703 -17.722 3.394 1.00 10.00 C ATOM 335 CD LYS A 22 2.666 -18.550 4.257 1.00 10.00 C ATOM 336 CE LYS A 22 1.928 -19.660 5.020 1.00 10.00 C ATOM 337 NZ LYS A 22 2.857 -20.703 5.500 1.00 10.00 N ATOM 0 H LYS A 22 1.351 -15.468 2.022 1.00 10.00 H new ATOM 0 HA LYS A 22 1.245 -14.532 4.667 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.965 -16.873 5.234 1.00 10.00 H new ATOM 0 HB3 LYS A 22 0.010 -16.458 3.824 1.00 10.00 H new ATOM 0 HG2 LYS A 22 0.936 -18.377 2.981 1.00 10.00 H new ATOM 0 HG3 LYS A 22 2.249 -17.298 2.551 1.00 10.00 H new ATOM 0 HD2 LYS A 22 3.435 -18.992 3.623 1.00 10.00 H new ATOM 0 HD3 LYS A 22 3.174 -17.896 4.966 1.00 10.00 H new ATOM 0 HE2 LYS A 22 1.397 -19.228 5.868 1.00 10.00 H new ATOM 0 HE3 LYS A 22 1.178 -20.111 4.371 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 2.323 -21.435 6.010 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 3.346 -21.133 4.689 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 3.557 -20.276 6.140 1.00 10.00 H new ATOM 351 N GLY A 23 3.371 -14.955 5.902 1.00 10.00 N ATOM 352 CA GLY A 23 4.662 -14.924 6.577 1.00 10.00 C ATOM 353 C GLY A 23 5.623 -13.880 6.003 1.00 10.00 C ATOM 354 O GLY A 23 6.837 -14.062 6.071 1.00 10.00 O ATOM 0 H GLY A 23 2.594 -14.670 6.498 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.505 -14.719 7.636 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.124 -15.909 6.508 1.00 10.00 H new ATOM 358 N GLY A 24 5.109 -12.747 5.514 1.00 10.00 N ATOM 359 CA GLY A 24 5.929 -11.718 4.884 1.00 10.00 C ATOM 360 C GLY A 24 6.810 -10.903 5.841 1.00 10.00 C ATOM 361 O GLY A 24 7.490 -9.974 5.398 1.00 10.00 O ATOM 0 H GLY A 24 4.115 -12.522 5.546 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.570 -12.192 4.141 1.00 10.00 H new ATOM 0 HA3 GLY A 24 5.273 -11.032 4.348 1.00 10.00 H new ATOM 365 N LYS A 25 6.800 -11.258 7.133 1.00 10.00 N ATOM 366 CA LYS A 25 7.419 -10.541 8.238 1.00 10.00 C ATOM 367 C LYS A 25 6.831 -9.137 8.407 1.00 10.00 C ATOM 368 O LYS A 25 5.872 -8.777 7.727 1.00 10.00 O ATOM 369 CB LYS A 25 8.956 -10.573 8.164 1.00 10.00 C ATOM 370 CG LYS A 25 9.479 -12.016 8.075 1.00 10.00 C ATOM 371 CD LYS A 25 10.834 -12.150 8.790 1.00 10.00 C ATOM 372 CE LYS A 25 11.315 -13.610 8.781 1.00 10.00 C ATOM 373 NZ LYS A 25 12.450 -13.831 9.704 1.00 10.00 N ATOM 0 H LYS A 25 6.328 -12.107 7.446 1.00 10.00 H new ATOM 0 HA LYS A 25 7.169 -11.072 9.156 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.293 -10.007 7.295 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.375 -10.085 9.044 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.757 -12.698 8.524 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.584 -12.306 7.030 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.573 -11.516 8.300 1.00 10.00 H new ATOM 0 HD3 LYS A 25 10.744 -11.799 9.818 1.00 10.00 H new ATOM 0 HE2 LYS A 25 10.489 -14.264 9.060 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.613 -13.886 7.769 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 12.740 -14.829 9.664 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 13.248 -13.227 9.423 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 12.160 -13.593 10.674 1.00 10.00 H new ATOM 387 N HIS A 26 7.371 -8.374 9.364 1.00 10.00 N ATOM 388 CA HIS A 26 6.873 -7.045 9.678 1.00 10.00 C ATOM 389 C HIS A 26 7.589 -6.021 8.802 1.00 10.00 C ATOM 390 O HIS A 26 6.976 -5.454 7.906 1.00 10.00 O ATOM 391 CB HIS A 26 7.041 -6.743 11.183 1.00 10.00 C ATOM 392 CG HIS A 26 6.695 -7.882 12.113 1.00 10.00 C ATOM 393 ND1 HIS A 26 7.507 -8.380 13.110 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.547 -8.630 12.104 1.00 10.00 C ATOM 395 CE1 HIS A 26 6.863 -9.414 13.679 1.00 10.00 C ATOM 396 NE2 HIS A 26 5.673 -9.612 13.091 1.00 10.00 N ATOM 0 H HIS A 26 8.163 -8.666 9.937 1.00 10.00 H new ATOM 0 HA HIS A 26 5.806 -6.990 9.464 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.075 -6.449 11.364 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.417 -5.886 11.437 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.698 -8.487 11.452 1.00 10.00 H new ATOM 0 HE1 HIS A 26 7.250 -10.004 14.497 1.00 10.00 H new ATOM 0 HE2 HIS A 26 4.993 -10.337 13.320 1.00 10.00 H new ATOM 404 N LYS A 27 8.890 -5.813 9.050 1.00 10.00 N ATOM 405 CA LYS A 27 9.707 -4.832 8.343 1.00 10.00 C ATOM 406 C LYS A 27 9.058 -3.439 8.407 1.00 10.00 C ATOM 407 O LYS A 27 8.203 -3.190 9.256 1.00 10.00 O ATOM 408 CB LYS A 27 10.005 -5.346 6.921 1.00 10.00 C ATOM 409 CG LYS A 27 10.933 -6.566 7.002 1.00 10.00 C ATOM 410 CD LYS A 27 11.050 -7.261 5.642 1.00 10.00 C ATOM 411 CE LYS A 27 11.990 -8.470 5.753 1.00 10.00 C ATOM 412 NZ LYS A 27 12.145 -9.170 4.461 1.00 10.00 N ATOM 0 H LYS A 27 9.407 -6.333 9.759 1.00 10.00 H new ATOM 0 HA LYS A 27 10.675 -4.709 8.830 1.00 10.00 H new ATOM 0 HB2 LYS A 27 9.076 -5.615 6.418 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.472 -4.559 6.329 1.00 10.00 H new ATOM 0 HG2 LYS A 27 11.921 -6.254 7.340 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.550 -7.269 7.742 1.00 10.00 H new ATOM 0 HD2 LYS A 27 10.066 -7.584 5.303 1.00 10.00 H new ATOM 0 HD3 LYS A 27 11.430 -6.561 4.897 1.00 10.00 H new ATOM 0 HE2 LYS A 27 12.967 -8.139 6.106 1.00 10.00 H new ATOM 0 HE3 LYS A 27 11.601 -9.165 6.498 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 12.787 -9.979 4.580 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 11.217 -9.509 4.136 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 12.540 -8.515 3.757 1.00 10.00 H new ATOM 426 N THR A 28 9.502 -2.507 7.561 1.00 10.00 N ATOM 427 CA THR A 28 8.900 -1.190 7.482 1.00 10.00 C ATOM 428 C THR A 28 7.477 -1.312 6.931 1.00 10.00 C ATOM 429 O THR A 28 6.523 -1.062 7.664 1.00 10.00 O ATOM 430 CB THR A 28 9.818 -0.257 6.685 1.00 10.00 C ATOM 431 OG1 THR A 28 11.085 -0.216 7.309 1.00 10.00 O ATOM 432 CG2 THR A 28 9.261 1.166 6.591 1.00 10.00 C ATOM 0 H THR A 28 10.282 -2.649 6.920 1.00 10.00 H new ATOM 0 HA THR A 28 8.799 -0.737 8.468 1.00 10.00 H new ATOM 0 HB THR A 28 9.892 -0.651 5.671 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.679 0.378 6.804 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.948 1.788 6.017 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.290 1.145 6.096 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.148 1.580 7.593 1.00 10.00 H new ATOM 440 N GLY A 29 7.310 -1.671 5.655 1.00 10.00 N ATOM 441 CA GLY A 29 5.988 -1.818 5.073 1.00 10.00 C ATOM 442 C GLY A 29 5.331 -3.072 5.635 1.00 10.00 C ATOM 443 O GLY A 29 5.898 -4.151 5.477 1.00 10.00 O ATOM 0 H GLY A 29 8.078 -1.863 5.012 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.379 -0.942 5.297 1.00 10.00 H new ATOM 0 HA3 GLY A 29 6.061 -1.886 3.988 1.00 10.00 H new ATOM 447 N PRO A 30 4.155 -2.974 6.278 1.00 10.00 N ATOM 448 CA PRO A 30 3.490 -4.155 6.769 1.00 10.00 C ATOM 449 C PRO A 30 3.189 -5.075 5.593 1.00 10.00 C ATOM 450 O PRO A 30 3.056 -4.635 4.444 1.00 10.00 O ATOM 451 CB PRO A 30 2.217 -3.686 7.475 1.00 10.00 C ATOM 452 CG PRO A 30 1.944 -2.299 6.900 1.00 10.00 C ATOM 453 CD PRO A 30 3.321 -1.798 6.457 1.00 10.00 C ATOM 0 HA PRO A 30 4.104 -4.718 7.472 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.385 -4.364 7.284 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.355 -3.647 8.556 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.249 -2.345 6.062 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.501 -1.639 7.646 1.00 10.00 H new ATOM 0 HD2 PRO A 30 3.247 -1.231 5.529 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.749 -1.130 7.205 1.00 10.00 H new ATOM 461 N ASN A 31 3.086 -6.366 5.908 1.00 10.00 N ATOM 462 CA ASN A 31 2.651 -7.362 4.957 1.00 10.00 C ATOM 463 C ASN A 31 1.289 -6.929 4.422 1.00 10.00 C ATOM 464 O ASN A 31 0.307 -6.925 5.158 1.00 10.00 O ATOM 465 CB ASN A 31 2.580 -8.727 5.645 1.00 10.00 C ATOM 466 CG ASN A 31 2.340 -9.849 4.644 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.337 -9.637 3.435 1.00 10.00 O ATOM 468 ND2 ASN A 31 2.157 -11.066 5.143 1.00 10.00 N ATOM 0 H ASN A 31 3.304 -6.740 6.832 1.00 10.00 H new ATOM 0 HA ASN A 31 3.351 -7.451 4.126 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.509 -8.912 6.184 1.00 10.00 H new ATOM 0 HB3 ASN A 31 1.779 -8.721 6.384 1.00 10.00 H new ATOM 0 HD21 ASN A 31 2.009 -11.857 4.516 1.00 10.00 H new ATOM 0 HD22 ASN A 31 2.165 -11.210 6.153 1.00 10.00 H new ATOM 475 N LEU A 32 1.243 -6.531 3.152 1.00 10.00 N ATOM 476 CA LEU A 32 0.045 -6.024 2.498 1.00 10.00 C ATOM 477 C LEU A 32 -1.004 -7.149 2.355 1.00 10.00 C ATOM 478 O LEU A 32 -2.162 -6.886 2.036 1.00 10.00 O ATOM 479 CB LEU A 32 0.460 -5.404 1.150 1.00 10.00 C ATOM 480 CG LEU A 32 0.348 -3.884 0.992 1.00 10.00 C ATOM 481 CD1 LEU A 32 1.178 -3.488 -0.237 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.104 -3.516 0.792 1.00 10.00 C ATOM 0 H LEU A 32 2.057 -6.554 2.538 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.431 -5.247 3.096 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.496 -5.684 0.959 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -0.145 -5.866 0.370 1.00 10.00 H new ATOM 0 HG LEU A 32 0.717 -3.362 1.875 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.122 -2.409 -0.382 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.217 -3.780 -0.084 1.00 10.00 H new ATOM 0 HD13 LEU A 32 0.785 -3.993 -1.119 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.193 -2.436 0.679 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -1.484 -4.007 -0.104 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.684 -3.839 1.657 1.00 10.00 H new ATOM 494 N HIS A 33 -0.614 -8.408 2.598 1.00 10.00 N ATOM 495 CA HIS A 33 -1.522 -9.530 2.796 1.00 10.00 C ATOM 496 C HIS A 33 -2.715 -9.126 3.681 1.00 10.00 C ATOM 497 O HIS A 33 -2.531 -8.755 4.838 1.00 10.00 O ATOM 498 CB HIS A 33 -0.709 -10.695 3.372 1.00 10.00 C ATOM 499 CG HIS A 33 -1.439 -12.006 3.449 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.253 -13.105 2.636 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.230 -12.394 4.492 1.00 10.00 C ATOM 502 CE1 HIS A 33 -1.950 -14.122 3.175 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.550 -13.740 4.316 1.00 10.00 N ATOM 0 H HIS A 33 0.369 -8.674 2.663 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.962 -9.846 1.850 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.185 -10.830 2.763 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.374 -10.424 4.373 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.552 -11.768 5.311 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.018 -15.112 2.749 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -3.124 -14.318 4.930 1.00 10.00 H new ATOM 511 N GLY A 34 -3.933 -9.174 3.128 1.00 10.00 N ATOM 512 CA GLY A 34 -5.149 -8.738 3.810 1.00 10.00 C ATOM 513 C GLY A 34 -5.469 -7.248 3.637 1.00 10.00 C ATOM 514 O GLY A 34 -6.194 -6.686 4.456 1.00 10.00 O ATOM 0 H GLY A 34 -4.100 -9.521 2.184 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -5.990 -9.324 3.439 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.053 -8.956 4.874 1.00 10.00 H new ATOM 518 N LEU A 35 -4.964 -6.609 2.575 1.00 10.00 N ATOM 519 CA LEU A 35 -5.244 -5.208 2.279 1.00 10.00 C ATOM 520 C LEU A 35 -6.727 -4.975 1.971 1.00 10.00 C ATOM 521 O LEU A 35 -7.429 -4.275 2.700 1.00 10.00 O ATOM 522 CB LEU A 35 -4.375 -4.767 1.089 1.00 10.00 C ATOM 523 CG LEU A 35 -4.618 -3.345 0.546 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.221 -2.237 1.518 1.00 10.00 C ATOM 525 CD2 LEU A 35 -4.002 -3.156 -0.833 1.00 10.00 C ATOM 0 H LEU A 35 -4.347 -7.056 1.896 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.003 -4.613 3.160 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.329 -4.845 1.384 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.530 -5.474 0.274 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.698 -3.250 0.437 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.422 -1.266 1.065 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.799 -2.335 2.437 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.158 -2.318 1.747 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -4.195 -2.141 -1.182 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.926 -3.322 -0.777 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.443 -3.869 -1.529 1.00 10.00 H new ATOM 537 N PHE A 36 -7.186 -5.509 0.837 1.00 10.00 N ATOM 538 CA PHE A 36 -8.545 -5.297 0.368 1.00 10.00 C ATOM 539 C PHE A 36 -9.511 -6.030 1.290 1.00 10.00 C ATOM 540 O PHE A 36 -9.278 -7.185 1.640 1.00 10.00 O ATOM 541 CB PHE A 36 -8.692 -5.783 -1.077 1.00 10.00 C ATOM 542 CG PHE A 36 -7.675 -5.175 -2.019 1.00 10.00 C ATOM 543 CD1 PHE A 36 -7.702 -3.799 -2.296 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.610 -5.951 -2.490 1.00 10.00 C ATOM 545 CE1 PHE A 36 -6.704 -3.213 -3.092 1.00 10.00 C ATOM 546 CE2 PHE A 36 -5.564 -5.347 -3.202 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.644 -3.995 -3.573 1.00 10.00 C ATOM 0 H PHE A 36 -6.623 -6.098 0.224 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.776 -4.232 0.385 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.595 -6.868 -1.100 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.694 -5.545 -1.433 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -8.496 -3.187 -1.894 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -6.594 -7.015 -2.305 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -6.753 -2.161 -3.333 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -4.691 -5.925 -3.467 1.00 10.00 H new ATOM 0 HZ PHE A 36 -4.897 -3.562 -4.222 1.00 10.00 H new ATOM 557 N GLY A 37 -10.599 -5.361 1.672 1.00 10.00 N ATOM 558 CA GLY A 37 -11.587 -5.929 2.574 1.00 10.00 C ATOM 559 C GLY A 37 -11.177 -5.745 4.033 1.00 10.00 C ATOM 560 O GLY A 37 -11.457 -6.603 4.868 1.00 10.00 O ATOM 0 H GLY A 37 -10.815 -4.413 1.363 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.554 -5.455 2.403 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.710 -6.991 2.360 1.00 10.00 H new ATOM 564 N ARG A 38 -10.552 -4.609 4.359 1.00 10.00 N ATOM 565 CA ARG A 38 -10.265 -4.227 5.730 1.00 10.00 C ATOM 566 C ARG A 38 -10.092 -2.712 5.781 1.00 10.00 C ATOM 567 O ARG A 38 -9.884 -2.083 4.741 1.00 10.00 O ATOM 568 CB ARG A 38 -9.034 -4.993 6.246 1.00 10.00 C ATOM 569 CG ARG A 38 -9.220 -5.389 7.715 1.00 10.00 C ATOM 570 CD ARG A 38 -8.240 -6.493 8.116 1.00 10.00 C ATOM 571 NE ARG A 38 -8.523 -6.963 9.481 1.00 10.00 N ATOM 572 CZ ARG A 38 -8.007 -8.073 10.031 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.110 -8.795 9.350 1.00 10.00 N ATOM 574 NH2 ARG A 38 -8.396 -8.460 11.251 1.00 10.00 N ATOM 0 H ARG A 38 -10.232 -3.930 3.669 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.088 -4.494 6.392 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.875 -5.885 5.641 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.143 -4.373 6.141 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -9.071 -4.517 8.352 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.243 -5.730 7.876 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.314 -7.325 7.416 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.218 -6.119 8.059 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.158 -6.404 10.051 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -6.821 -8.501 8.417 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -6.715 -9.639 9.764 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -9.086 -7.911 11.764 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -8.003 -9.304 11.668 1.00 10.00 H new ATOM 588 N LYS A 39 -10.235 -2.124 6.974 1.00 10.00 N ATOM 589 CA LYS A 39 -10.074 -0.690 7.165 1.00 10.00 C ATOM 590 C LYS A 39 -8.594 -0.392 7.428 1.00 10.00 C ATOM 591 O LYS A 39 -7.857 -1.276 7.857 1.00 10.00 O ATOM 592 CB LYS A 39 -11.002 -0.218 8.306 1.00 10.00 C ATOM 593 CG LYS A 39 -11.524 1.214 8.098 1.00 10.00 C ATOM 594 CD LYS A 39 -13.037 1.367 8.331 1.00 10.00 C ATOM 595 CE LYS A 39 -13.448 1.312 9.812 1.00 10.00 C ATOM 596 NZ LYS A 39 -13.934 -0.021 10.225 1.00 10.00 N ATOM 0 H LYS A 39 -10.465 -2.632 7.828 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.365 -0.135 6.273 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.848 -0.900 8.385 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.462 -0.269 9.252 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -10.993 1.885 8.773 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -11.289 1.532 7.082 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.366 2.316 7.908 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -13.560 0.579 7.789 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -12.595 1.590 10.431 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -14.229 2.050 9.995 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -14.196 0.002 11.231 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -14.765 -0.279 9.656 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -13.183 -0.725 10.079 1.00 10.00 H new ATOM 610 N THR A 40 -8.160 0.845 7.185 1.00 10.00 N ATOM 611 CA THR A 40 -6.777 1.274 7.374 1.00 10.00 C ATOM 612 C THR A 40 -6.251 0.897 8.758 1.00 10.00 C ATOM 613 O THR A 40 -5.298 0.136 8.912 1.00 10.00 O ATOM 614 CB THR A 40 -6.710 2.790 7.168 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.702 3.444 7.940 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.918 3.141 5.702 1.00 10.00 C ATOM 0 H THR A 40 -8.771 1.588 6.846 1.00 10.00 H new ATOM 0 HA THR A 40 -6.144 0.765 6.647 1.00 10.00 H new ATOM 0 HB THR A 40 -5.723 3.124 7.487 1.00 10.00 H new ATOM 0 HG1 THR A 40 -7.273 4.060 8.570 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.867 4.222 5.576 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.141 2.669 5.101 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.895 2.784 5.377 1.00 10.00 H new ATOM 624 N GLY A 41 -6.900 1.432 9.788 1.00 10.00 N ATOM 625 CA GLY A 41 -6.538 1.200 11.177 1.00 10.00 C ATOM 626 C GLY A 41 -6.932 -0.190 11.679 1.00 10.00 C ATOM 627 O GLY A 41 -7.568 -0.286 12.728 1.00 10.00 O ATOM 0 H GLY A 41 -7.705 2.048 9.676 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.462 1.329 11.291 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.017 1.954 11.801 1.00 10.00 H new ATOM 631 N GLN A 42 -6.574 -1.248 10.946 1.00 10.00 N ATOM 632 CA GLN A 42 -6.824 -2.641 11.304 1.00 10.00 C ATOM 633 C GLN A 42 -5.703 -3.543 10.773 1.00 10.00 C ATOM 634 O GLN A 42 -5.905 -4.330 9.849 1.00 10.00 O ATOM 635 CB GLN A 42 -8.192 -3.097 10.776 1.00 10.00 C ATOM 636 CG GLN A 42 -9.355 -2.350 11.434 1.00 10.00 C ATOM 637 CD GLN A 42 -10.692 -3.020 11.145 1.00 10.00 C ATOM 638 OE1 GLN A 42 -10.933 -3.503 10.042 1.00 10.00 O ATOM 639 NE2 GLN A 42 -11.582 -3.049 12.135 1.00 10.00 N ATOM 0 H GLN A 42 -6.085 -1.151 10.056 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.837 -2.721 12.391 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.231 -2.944 9.697 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.307 -4.167 10.951 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.196 -2.306 12.511 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.378 -1.322 11.073 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -11.352 -2.639 13.040 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -12.494 -3.481 11.988 1.00 10.00 H new ATOM 648 N ALA A 43 -4.525 -3.452 11.392 1.00 10.00 N ATOM 649 CA ALA A 43 -3.389 -4.320 11.101 1.00 10.00 C ATOM 650 C ALA A 43 -3.520 -5.644 11.867 1.00 10.00 C ATOM 651 O ALA A 43 -4.160 -5.664 12.917 1.00 10.00 O ATOM 652 CB ALA A 43 -2.099 -3.599 11.505 1.00 10.00 C ATOM 0 H ALA A 43 -4.333 -2.763 12.119 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.365 -4.545 10.035 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.243 -4.239 11.292 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.008 -2.671 10.940 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -2.127 -3.373 12.571 1.00 10.00 H new ATOM 658 N PRO A 44 -2.915 -6.746 11.382 1.00 10.00 N ATOM 659 CA PRO A 44 -2.964 -8.022 12.078 1.00 10.00 C ATOM 660 C PRO A 44 -2.021 -8.047 13.280 1.00 10.00 C ATOM 661 O PRO A 44 -2.461 -8.237 14.410 1.00 10.00 O ATOM 662 CB PRO A 44 -2.622 -9.084 11.027 1.00 10.00 C ATOM 663 CG PRO A 44 -1.793 -8.336 9.978 1.00 10.00 C ATOM 664 CD PRO A 44 -2.265 -6.882 10.083 1.00 10.00 C ATOM 0 HA PRO A 44 -3.949 -8.212 12.504 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -2.058 -9.908 11.465 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.523 -9.512 10.588 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.725 -8.422 10.180 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -1.962 -8.737 8.979 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.423 -6.195 9.997 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.957 -6.640 9.276 1.00 10.00 H new ATOM 672 N GLY A 45 -0.724 -7.868 13.036 1.00 10.00 N ATOM 673 CA GLY A 45 0.296 -7.828 14.070 1.00 10.00 C ATOM 674 C GLY A 45 1.378 -6.860 13.622 1.00 10.00 C ATOM 675 O GLY A 45 2.530 -7.242 13.433 1.00 10.00 O ATOM 0 H GLY A 45 -0.351 -7.745 12.095 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.135 -7.507 15.018 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.715 -8.821 14.231 1.00 10.00 H new ATOM 679 N PHE A 46 0.974 -5.606 13.409 1.00 10.00 N ATOM 680 CA PHE A 46 1.872 -4.516 13.050 1.00 10.00 C ATOM 681 C PHE A 46 1.560 -3.291 13.918 1.00 10.00 C ATOM 682 O PHE A 46 0.480 -3.204 14.501 1.00 10.00 O ATOM 683 CB PHE A 46 1.718 -4.191 11.560 1.00 10.00 C ATOM 684 CG PHE A 46 2.613 -3.074 11.068 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.980 -3.319 10.843 1.00 10.00 C ATOM 686 CD2 PHE A 46 2.080 -1.793 10.823 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.804 -2.295 10.346 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.911 -0.765 10.350 1.00 10.00 C ATOM 689 CZ PHE A 46 4.273 -1.015 10.114 1.00 10.00 C ATOM 0 H PHE A 46 -0.002 -5.319 13.483 1.00 10.00 H new ATOM 0 HA PHE A 46 2.906 -4.811 13.229 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.928 -5.090 10.981 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.680 -3.921 11.365 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.396 -4.294 11.052 1.00 10.00 H new ATOM 0 HD2 PHE A 46 1.032 -1.602 10.999 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.846 -2.492 10.142 1.00 10.00 H new ATOM 0 HE2 PHE A 46 2.503 0.218 10.168 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.913 -0.223 9.754 1.00 10.00 H new ATOM 699 N THR A 47 2.502 -2.347 13.990 1.00 10.00 N ATOM 700 CA THR A 47 2.367 -1.108 14.741 1.00 10.00 C ATOM 701 C THR A 47 1.600 -0.080 13.897 1.00 10.00 C ATOM 702 O THR A 47 2.158 0.588 13.031 1.00 10.00 O ATOM 703 CB THR A 47 3.757 -0.651 15.229 1.00 10.00 C ATOM 704 OG1 THR A 47 3.647 0.420 16.144 1.00 10.00 O ATOM 705 CG2 THR A 47 4.739 -0.250 14.119 1.00 10.00 C ATOM 0 H THR A 47 3.400 -2.431 13.514 1.00 10.00 H new ATOM 0 HA THR A 47 1.772 -1.246 15.644 1.00 10.00 H new ATOM 0 HB THR A 47 4.173 -1.537 15.709 1.00 10.00 H new ATOM 0 HG1 THR A 47 4.541 0.691 16.440 1.00 10.00 H new ATOM 0 HG21 THR A 47 5.686 0.055 14.564 1.00 10.00 H new ATOM 0 HG22 THR A 47 4.906 -1.100 13.457 1.00 10.00 H new ATOM 0 HG23 THR A 47 4.323 0.579 13.547 1.00 10.00 H new ATOM 713 N TYR A 48 0.291 0.034 14.129 1.00 10.00 N ATOM 714 CA TYR A 48 -0.518 1.073 13.514 1.00 10.00 C ATOM 715 C TYR A 48 -0.172 2.396 14.193 1.00 10.00 C ATOM 716 O TYR A 48 0.043 2.432 15.404 1.00 10.00 O ATOM 717 CB TYR A 48 -2.013 0.746 13.670 1.00 10.00 C ATOM 718 CG TYR A 48 -2.465 0.451 15.093 1.00 10.00 C ATOM 719 CD1 TYR A 48 -2.829 1.502 15.959 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.450 -0.872 15.574 1.00 10.00 C ATOM 721 CE1 TYR A 48 -3.115 1.237 17.311 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.744 -1.136 16.923 1.00 10.00 C ATOM 723 CZ TYR A 48 -3.054 -0.081 17.796 1.00 10.00 C ATOM 724 OH TYR A 48 -3.292 -0.343 19.112 1.00 10.00 O ATOM 0 H TYR A 48 -0.230 -0.590 14.745 1.00 10.00 H new ATOM 0 HA TYR A 48 -0.310 1.140 12.446 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -2.594 1.585 13.287 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -2.248 -0.116 13.045 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -2.889 2.513 15.584 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -2.212 -1.686 14.905 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -3.381 2.046 17.976 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -2.731 -2.152 17.289 1.00 10.00 H new ATOM 0 HH TYR A 48 -3.209 -1.306 19.274 1.00 10.00 H new ATOM 734 N THR A 49 -0.124 3.475 13.415 1.00 10.00 N ATOM 735 CA THR A 49 0.121 4.815 13.918 1.00 10.00 C ATOM 736 C THR A 49 -1.195 5.599 13.942 1.00 10.00 C ATOM 737 O THR A 49 -2.196 5.174 13.357 1.00 10.00 O ATOM 738 CB THR A 49 1.232 5.469 13.081 1.00 10.00 C ATOM 739 OG1 THR A 49 1.639 6.694 13.650 1.00 10.00 O ATOM 740 CG2 THR A 49 0.839 5.718 11.622 1.00 10.00 C ATOM 0 H THR A 49 -0.257 3.437 12.404 1.00 10.00 H new ATOM 0 HA THR A 49 0.480 4.798 14.947 1.00 10.00 H new ATOM 0 HB THR A 49 2.052 4.751 13.087 1.00 10.00 H new ATOM 0 HG1 THR A 49 2.347 7.090 13.101 1.00 10.00 H new ATOM 0 HG21 THR A 49 1.673 6.181 11.095 1.00 10.00 H new ATOM 0 HG22 THR A 49 0.590 4.770 11.145 1.00 10.00 H new ATOM 0 HG23 THR A 49 -0.026 6.380 11.586 1.00 10.00 H new ATOM 748 N ASP A 50 -1.186 6.771 14.580 1.00 10.00 N ATOM 749 CA ASP A 50 -2.348 7.635 14.770 1.00 10.00 C ATOM 750 C ASP A 50 -2.667 8.460 13.517 1.00 10.00 C ATOM 751 O ASP A 50 -3.418 9.430 13.591 1.00 10.00 O ATOM 752 CB ASP A 50 -2.135 8.527 16.006 1.00 10.00 C ATOM 753 CG ASP A 50 -0.851 9.350 15.962 1.00 10.00 C ATOM 754 OD1 ASP A 50 -0.199 9.342 14.896 1.00 10.00 O ATOM 755 OD2 ASP A 50 -0.518 9.923 17.020 1.00 10.00 O ATOM 0 H ASP A 50 -0.337 7.157 14.993 1.00 10.00 H new ATOM 0 HA ASP A 50 -3.220 7.004 14.943 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -2.985 9.203 16.105 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -2.122 7.899 16.897 1.00 10.00 H new ATOM 760 N ALA A 51 -2.169 8.027 12.355 1.00 10.00 N ATOM 761 CA ALA A 51 -2.489 8.590 11.055 1.00 10.00 C ATOM 762 C ALA A 51 -3.335 7.592 10.267 1.00 10.00 C ATOM 763 O ALA A 51 -4.418 7.931 9.793 1.00 10.00 O ATOM 764 CB ALA A 51 -1.199 8.950 10.319 1.00 10.00 C ATOM 0 H ALA A 51 -1.511 7.249 12.300 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.069 9.505 11.171 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.442 9.372 9.344 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.640 9.682 10.902 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.594 8.053 10.185 1.00 10.00 H new ATOM 770 N ASN A 52 -2.874 6.340 10.141 1.00 10.00 N ATOM 771 CA ASN A 52 -3.601 5.353 9.348 1.00 10.00 C ATOM 772 C ASN A 52 -4.991 5.140 9.938 1.00 10.00 C ATOM 773 O ASN A 52 -5.991 5.148 9.220 1.00 10.00 O ATOM 774 CB ASN A 52 -2.838 4.021 9.241 1.00 10.00 C ATOM 775 CG ASN A 52 -3.086 3.329 7.894 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.189 3.982 6.856 1.00 10.00 O ATOM 777 ND2 ASN A 52 -3.246 2.010 7.895 1.00 10.00 N ATOM 0 H ASN A 52 -2.016 5.996 10.572 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.698 5.741 8.334 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.770 4.203 9.365 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -3.145 3.360 10.051 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.458 1.521 7.025 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -3.157 1.486 8.766 1.00 10.00 H new ATOM 784 N LYS A 53 -5.068 4.995 11.266 1.00 10.00 N ATOM 785 CA LYS A 53 -6.351 4.865 11.942 1.00 10.00 C ATOM 786 C LYS A 53 -7.229 6.094 11.719 1.00 10.00 C ATOM 787 O LYS A 53 -8.446 5.969 11.599 1.00 10.00 O ATOM 788 CB LYS A 53 -6.180 4.615 13.450 1.00 10.00 C ATOM 789 CG LYS A 53 -7.299 3.681 13.951 1.00 10.00 C ATOM 790 CD LYS A 53 -7.815 4.022 15.360 1.00 10.00 C ATOM 791 CE LYS A 53 -9.339 4.221 15.350 1.00 10.00 C ATOM 792 NZ LYS A 53 -10.070 2.964 15.081 1.00 10.00 N ATOM 0 H LYS A 53 -4.258 4.966 11.885 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.845 3.998 11.504 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.205 4.169 13.646 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -6.212 5.561 13.991 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -8.133 3.722 13.250 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.930 2.655 13.949 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -7.553 3.221 16.052 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -7.328 4.928 15.721 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -9.656 4.624 16.312 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -9.601 4.960 14.593 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -11.093 3.150 15.085 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -9.789 2.591 14.152 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -9.843 2.266 15.817 1.00 10.00 H new ATOM 806 N ASN A 54 -6.604 7.273 11.684 1.00 10.00 N ATOM 807 CA ASN A 54 -7.290 8.538 11.475 1.00 10.00 C ATOM 808 C ASN A 54 -7.983 8.561 10.114 1.00 10.00 C ATOM 809 O ASN A 54 -8.987 9.243 9.939 1.00 10.00 O ATOM 810 CB ASN A 54 -6.286 9.693 11.593 1.00 10.00 C ATOM 811 CG ASN A 54 -6.956 10.964 12.086 1.00 10.00 C ATOM 812 OD1 ASN A 54 -7.153 11.915 11.337 1.00 10.00 O ATOM 813 ND2 ASN A 54 -7.300 10.987 13.371 1.00 10.00 N ATOM 0 H ASN A 54 -5.596 7.371 11.802 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.057 8.655 12.240 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.486 9.413 12.278 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.825 9.876 10.623 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -7.744 11.816 13.765 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -7.119 10.175 13.962 1.00 10.00 H new ATOM 820 N LYS A 55 -7.433 7.816 9.149 1.00 10.00 N ATOM 821 CA LYS A 55 -7.892 7.825 7.773 1.00 10.00 C ATOM 822 C LYS A 55 -9.286 7.207 7.641 1.00 10.00 C ATOM 823 O LYS A 55 -10.189 7.812 7.072 1.00 10.00 O ATOM 824 CB LYS A 55 -6.854 7.092 6.909 1.00 10.00 C ATOM 825 CG LYS A 55 -6.762 7.706 5.508 1.00 10.00 C ATOM 826 CD LYS A 55 -5.312 7.951 5.069 1.00 10.00 C ATOM 827 CE LYS A 55 -4.576 6.667 4.652 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.813 6.864 3.402 1.00 10.00 N ATOM 0 H LYS A 55 -6.648 7.186 9.313 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.986 8.854 7.425 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.878 7.137 7.393 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.122 6.039 6.830 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.248 7.044 4.792 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.308 8.649 5.491 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.306 8.652 4.234 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -4.768 8.424 5.886 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -3.899 6.359 5.449 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -5.297 5.860 4.517 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -4.319 6.415 2.612 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -3.712 7.882 3.214 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -2.871 6.434 3.499 1.00 10.00 H new ATOM 842 N GLY A 56 -9.446 5.984 8.152 1.00 10.00 N ATOM 843 CA GLY A 56 -10.731 5.312 8.243 1.00 10.00 C ATOM 844 C GLY A 56 -11.404 5.100 6.886 1.00 10.00 C ATOM 845 O GLY A 56 -12.552 5.490 6.691 1.00 10.00 O ATOM 0 H GLY A 56 -8.671 5.430 8.518 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.593 4.345 8.727 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.394 5.896 8.881 1.00 10.00 H new ATOM 849 N ILE A 57 -10.706 4.427 5.968 1.00 10.00 N ATOM 850 CA ILE A 57 -11.178 4.130 4.617 1.00 10.00 C ATOM 851 C ILE A 57 -10.921 2.667 4.279 1.00 10.00 C ATOM 852 O ILE A 57 -10.207 1.973 5.003 1.00 10.00 O ATOM 853 CB ILE A 57 -10.512 5.049 3.573 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.109 5.480 3.975 1.00 10.00 C ATOM 855 CG2 ILE A 57 -11.390 6.263 3.285 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.208 5.709 2.756 1.00 10.00 C ATOM 0 H ILE A 57 -9.770 4.064 6.151 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.251 4.317 4.587 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.408 4.463 2.660 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -9.165 6.397 4.562 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.665 4.718 4.616 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.902 6.898 2.546 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.354 5.932 2.898 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -11.543 6.828 4.205 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.216 6.015 3.089 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.129 4.785 2.183 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -8.637 6.490 2.128 1.00 10.00 H new ATOM 868 N THR A 58 -11.530 2.217 3.180 1.00 10.00 N ATOM 869 CA THR A 58 -11.445 0.861 2.675 1.00 10.00 C ATOM 870 C THR A 58 -10.544 0.872 1.444 1.00 10.00 C ATOM 871 O THR A 58 -10.707 1.699 0.547 1.00 10.00 O ATOM 872 CB THR A 58 -12.855 0.347 2.346 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.532 1.225 1.468 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.684 0.208 3.626 1.00 10.00 C ATOM 0 H THR A 58 -12.117 2.817 2.601 1.00 10.00 H new ATOM 0 HA THR A 58 -11.018 0.188 3.419 1.00 10.00 H new ATOM 0 HB THR A 58 -12.740 -0.624 1.864 1.00 10.00 H new ATOM 0 HG1 THR A 58 -12.879 1.706 0.918 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.680 -0.157 3.376 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.197 -0.497 4.300 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.765 1.179 4.114 1.00 10.00 H new ATOM 882 N TRP A 59 -9.570 -0.032 1.413 1.00 10.00 N ATOM 883 CA TRP A 59 -8.712 -0.202 0.261 1.00 10.00 C ATOM 884 C TRP A 59 -9.482 -0.974 -0.804 1.00 10.00 C ATOM 885 O TRP A 59 -10.162 -1.948 -0.478 1.00 10.00 O ATOM 886 CB TRP A 59 -7.459 -0.936 0.712 1.00 10.00 C ATOM 887 CG TRP A 59 -6.730 -0.204 1.791 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.761 -0.490 3.112 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.909 0.992 1.652 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.916 0.379 3.775 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.390 1.336 2.931 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.555 1.824 0.569 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.544 2.442 3.122 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.721 2.942 0.751 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.210 3.248 2.023 1.00 10.00 C ATOM 0 H TRP A 59 -9.359 -0.662 2.187 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.412 0.753 -0.171 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.731 -1.929 1.070 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.795 -1.076 -0.141 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.349 -1.269 3.573 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.706 0.320 4.771 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.931 1.598 -0.418 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.155 2.669 4.104 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.472 3.569 -0.092 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.562 4.102 2.155 1.00 10.00 H new ATOM 906 N LYS A 60 -9.385 -0.539 -2.063 1.00 10.00 N ATOM 907 CA LYS A 60 -10.090 -1.166 -3.174 1.00 10.00 C ATOM 908 C LYS A 60 -9.242 -1.086 -4.441 1.00 10.00 C ATOM 909 O LYS A 60 -8.751 -2.107 -4.912 1.00 10.00 O ATOM 910 CB LYS A 60 -11.507 -0.586 -3.290 1.00 10.00 C ATOM 911 CG LYS A 60 -11.608 0.942 -3.431 1.00 10.00 C ATOM 912 CD LYS A 60 -12.855 1.451 -2.692 1.00 10.00 C ATOM 913 CE LYS A 60 -13.279 2.842 -3.186 1.00 10.00 C ATOM 914 NZ LYS A 60 -14.367 2.763 -4.180 1.00 10.00 N ATOM 0 H LYS A 60 -8.813 0.260 -2.337 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.234 -2.232 -2.997 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.994 -1.042 -4.152 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.073 -0.886 -2.408 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -10.714 1.414 -3.023 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.661 1.217 -4.485 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.676 0.748 -2.836 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -12.653 1.491 -1.622 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.604 3.445 -2.338 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -12.420 3.348 -3.627 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -14.124 3.345 -5.007 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -14.495 1.775 -4.477 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.250 3.114 -3.757 1.00 10.00 H new ATOM 928 N GLU A 61 -9.000 0.133 -4.929 1.00 10.00 N ATOM 929 CA GLU A 61 -8.137 0.413 -6.068 1.00 10.00 C ATOM 930 C GLU A 61 -8.082 1.918 -6.322 1.00 10.00 C ATOM 931 O GLU A 61 -6.997 2.482 -6.320 1.00 10.00 O ATOM 932 CB GLU A 61 -8.519 -0.400 -7.313 1.00 10.00 C ATOM 933 CG GLU A 61 -10.025 -0.428 -7.638 1.00 10.00 C ATOM 934 CD GLU A 61 -10.482 -1.839 -8.000 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.154 -2.284 -9.121 1.00 10.00 O ATOM 936 OE2 GLU A 61 -11.119 -2.501 -7.154 1.00 10.00 O ATOM 0 H GLU A 61 -9.414 0.974 -4.527 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.127 0.083 -5.823 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.985 0.007 -8.172 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.173 -1.425 -7.179 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.592 -0.067 -6.780 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.234 0.249 -8.466 1.00 10.00 H new ATOM 943 N GLU A 62 -9.240 2.571 -6.467 1.00 10.00 N ATOM 944 CA GLU A 62 -9.379 4.025 -6.588 1.00 10.00 C ATOM 945 C GLU A 62 -8.480 4.786 -5.607 1.00 10.00 C ATOM 946 O GLU A 62 -7.543 5.469 -6.012 1.00 10.00 O ATOM 947 CB GLU A 62 -10.843 4.405 -6.303 1.00 10.00 C ATOM 948 CG GLU A 62 -11.759 4.373 -7.528 1.00 10.00 C ATOM 949 CD GLU A 62 -13.194 4.672 -7.114 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.711 3.893 -6.283 1.00 10.00 O ATOM 951 OE2 GLU A 62 -13.741 5.689 -7.583 1.00 10.00 O ATOM 0 H GLU A 62 -10.136 2.085 -6.505 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.079 4.302 -7.599 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.241 3.725 -5.550 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -10.868 5.406 -5.873 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.424 5.105 -8.262 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.706 3.395 -8.006 1.00 10.00 H new ATOM 958 N THR A 63 -8.782 4.703 -4.309 1.00 10.00 N ATOM 959 CA THR A 63 -8.081 5.483 -3.302 1.00 10.00 C ATOM 960 C THR A 63 -6.582 5.188 -3.374 1.00 10.00 C ATOM 961 O THR A 63 -5.735 6.076 -3.306 1.00 10.00 O ATOM 962 CB THR A 63 -8.683 5.138 -1.934 1.00 10.00 C ATOM 963 OG1 THR A 63 -10.094 5.137 -2.048 1.00 10.00 O ATOM 964 CG2 THR A 63 -8.240 6.136 -0.868 1.00 10.00 C ATOM 0 H THR A 63 -9.513 4.098 -3.935 1.00 10.00 H new ATOM 0 HA THR A 63 -8.199 6.553 -3.473 1.00 10.00 H new ATOM 0 HB THR A 63 -8.331 4.153 -1.627 1.00 10.00 H new ATOM 0 HG1 THR A 63 -10.492 4.916 -1.180 1.00 10.00 H new ATOM 0 HG21 THR A 63 -8.683 5.865 0.090 1.00 10.00 H new ATOM 0 HG22 THR A 63 -7.153 6.120 -0.783 1.00 10.00 H new ATOM 0 HG23 THR A 63 -8.567 7.137 -1.149 1.00 10.00 H new ATOM 972 N LEU A 64 -6.269 3.906 -3.547 1.00 10.00 N ATOM 973 CA LEU A 64 -4.921 3.397 -3.654 1.00 10.00 C ATOM 974 C LEU A 64 -4.180 4.041 -4.833 1.00 10.00 C ATOM 975 O LEU A 64 -3.070 4.533 -4.657 1.00 10.00 O ATOM 976 CB LEU A 64 -5.003 1.866 -3.721 1.00 10.00 C ATOM 977 CG LEU A 64 -4.008 1.195 -2.788 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.442 -0.246 -2.548 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.591 1.249 -3.355 1.00 10.00 C ATOM 0 H LEU A 64 -6.977 3.175 -3.618 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.325 3.664 -2.781 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -6.013 1.547 -3.463 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.817 1.539 -4.744 1.00 10.00 H new ATOM 0 HG LEU A 64 -3.995 1.732 -1.840 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -3.732 -0.733 -1.879 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.433 -0.257 -2.095 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -4.471 -0.780 -3.498 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -1.904 0.761 -2.664 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.564 0.736 -4.317 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.292 2.289 -3.490 1.00 10.00 H new ATOM 991 N MET A 65 -4.801 4.096 -6.015 1.00 10.00 N ATOM 992 CA MET A 65 -4.260 4.767 -7.187 1.00 10.00 C ATOM 993 C MET A 65 -3.815 6.195 -6.867 1.00 10.00 C ATOM 994 O MET A 65 -2.785 6.622 -7.387 1.00 10.00 O ATOM 995 CB MET A 65 -5.273 4.755 -8.348 1.00 10.00 C ATOM 996 CG MET A 65 -5.160 3.516 -9.244 1.00 10.00 C ATOM 997 SD MET A 65 -5.562 3.795 -10.995 1.00 10.00 S ATOM 998 CE MET A 65 -7.240 4.453 -10.854 1.00 10.00 C ATOM 0 H MET A 65 -5.711 3.665 -6.181 1.00 10.00 H new ATOM 0 HA MET A 65 -3.376 4.211 -7.500 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.282 4.808 -7.940 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.128 5.648 -8.956 1.00 10.00 H new ATOM 0 HG2 MET A 65 -4.143 3.129 -9.177 1.00 10.00 H new ATOM 0 HG3 MET A 65 -5.821 2.742 -8.854 1.00 10.00 H new ATOM 0 HE1 MET A 65 -7.668 4.575 -11.849 1.00 10.00 H new ATOM 0 HE2 MET A 65 -7.855 3.762 -10.277 1.00 10.00 H new ATOM 0 HE3 MET A 65 -7.211 5.419 -10.351 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.545 6.931 -6.018 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.069 8.244 -5.619 1.00 10.00 C ATOM 1010 C GLU A 66 -2.945 8.059 -4.606 1.00 10.00 C ATOM 1011 O GLU A 66 -1.887 8.647 -4.759 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.161 9.102 -4.982 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.055 9.952 -5.892 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.524 11.157 -5.074 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -7.002 10.913 -3.943 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -6.281 12.310 -5.503 1.00 10.00 O ATOM 0 H GLU A 66 -5.436 6.645 -5.611 1.00 10.00 H new ATOM 0 HA GLU A 66 -3.729 8.760 -6.517 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -5.809 8.440 -4.408 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -4.681 9.773 -4.270 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -5.505 10.278 -6.775 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -6.908 9.371 -6.244 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.175 7.275 -3.552 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.235 7.113 -2.451 1.00 10.00 C ATOM 1025 C TYR A 67 -0.816 6.817 -2.949 1.00 10.00 C ATOM 1026 O TYR A 67 0.145 7.439 -2.503 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.748 6.009 -1.520 1.00 10.00 C ATOM 1028 CG TYR A 67 -1.998 5.863 -0.201 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -1.748 6.985 0.616 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.523 4.598 0.199 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.036 6.841 1.821 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.825 4.456 1.411 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.567 5.576 2.214 1.00 10.00 C ATOM 1034 OH TYR A 67 0.106 5.425 3.390 1.00 10.00 O ATOM 0 H TYR A 67 -4.030 6.730 -3.441 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.172 8.050 -1.898 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.798 6.201 -1.301 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.702 5.059 -2.052 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.105 7.959 0.315 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.696 3.735 -0.427 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -0.850 7.703 2.444 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.486 3.480 1.725 1.00 10.00 H new ATOM 0 HH TYR A 67 0.147 4.474 3.624 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.685 5.878 -3.888 1.00 10.00 N ATOM 1045 CA LEU A 68 0.598 5.562 -4.502 1.00 10.00 C ATOM 1046 C LEU A 68 1.119 6.753 -5.303 1.00 10.00 C ATOM 1047 O LEU A 68 2.299 7.089 -5.223 1.00 10.00 O ATOM 1048 CB LEU A 68 0.476 4.334 -5.413 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.063 3.092 -4.698 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.077 1.904 -5.666 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.693 2.764 -3.407 1.00 10.00 C ATOM 0 H LEU A 68 -1.463 5.320 -4.240 1.00 10.00 H new ATOM 0 HA LEU A 68 1.306 5.337 -3.704 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.181 4.576 -6.249 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.455 4.105 -5.833 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.084 3.310 -4.386 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.461 1.022 -5.154 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.716 2.136 -6.518 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.936 1.708 -6.016 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.262 1.874 -2.949 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.743 2.582 -3.636 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.613 3.603 -2.715 1.00 10.00 H new ATOM 1063 N GLU A 69 0.239 7.388 -6.080 1.00 10.00 N ATOM 1064 CA GLU A 69 0.584 8.485 -6.971 1.00 10.00 C ATOM 1065 C GLU A 69 0.317 9.845 -6.314 1.00 10.00 C ATOM 1066 O GLU A 69 -0.079 10.793 -6.987 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.135 8.267 -8.321 1.00 10.00 C ATOM 1068 CG GLU A 69 0.836 8.335 -9.506 1.00 10.00 C ATOM 1069 CD GLU A 69 1.378 9.742 -9.707 1.00 10.00 C ATOM 1070 OE1 GLU A 69 2.251 10.128 -8.900 1.00 10.00 O ATOM 1071 OE2 GLU A 69 0.916 10.379 -10.677 1.00 10.00 O ATOM 0 H GLU A 69 -0.751 7.145 -6.104 1.00 10.00 H new ATOM 0 HA GLU A 69 1.655 8.495 -7.175 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -0.632 7.297 -8.315 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.911 9.022 -8.444 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.664 7.646 -9.338 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.328 8.008 -10.413 1.00 10.00 H new ATOM 1078 N ASN A 70 0.522 9.930 -4.990 1.00 10.00 N ATOM 1079 CA ASN A 70 0.237 11.084 -4.134 1.00 10.00 C ATOM 1080 C ASN A 70 0.175 10.648 -2.656 1.00 10.00 C ATOM 1081 O ASN A 70 -0.865 10.765 -2.006 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.063 11.798 -4.569 1.00 10.00 C ATOM 1083 CG ASN A 70 -0.816 13.084 -5.350 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.056 13.946 -4.917 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -1.506 13.256 -6.472 1.00 10.00 N ATOM 0 H ASN A 70 0.913 9.150 -4.462 1.00 10.00 H new ATOM 0 HA ASN A 70 1.049 11.803 -4.243 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.655 11.118 -5.182 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.656 12.028 -3.684 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -1.413 14.124 -7.000 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.129 12.521 -6.805 1.00 10.00 H new ATOM 1092 N PRO A 71 1.288 10.177 -2.071 1.00 10.00 N ATOM 1093 CA PRO A 71 1.334 9.848 -0.658 1.00 10.00 C ATOM 1094 C PRO A 71 1.265 11.130 0.173 1.00 10.00 C ATOM 1095 O PRO A 71 0.408 11.256 1.048 1.00 10.00 O ATOM 1096 CB PRO A 71 2.634 9.063 -0.456 1.00 10.00 C ATOM 1097 CG PRO A 71 3.539 9.523 -1.600 1.00 10.00 C ATOM 1098 CD PRO A 71 2.565 9.927 -2.710 1.00 10.00 C ATOM 0 HA PRO A 71 0.488 9.243 -0.331 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.081 9.278 0.515 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.459 7.988 -0.496 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.168 10.360 -1.298 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.206 8.725 -1.926 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.919 10.817 -3.230 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.477 9.136 -3.455 1.00 10.00 H new ATOM 1106 N LYS A 72 2.125 12.111 -0.132 1.00 10.00 N ATOM 1107 CA LYS A 72 2.141 13.413 0.527 1.00 10.00 C ATOM 1108 C LYS A 72 0.998 14.311 0.031 1.00 10.00 C ATOM 1109 O LYS A 72 1.222 15.457 -0.352 1.00 10.00 O ATOM 1110 CB LYS A 72 3.527 14.079 0.420 1.00 10.00 C ATOM 1111 CG LYS A 72 4.046 14.422 -0.992 1.00 10.00 C ATOM 1112 CD LYS A 72 4.785 13.258 -1.676 1.00 10.00 C ATOM 1113 CE LYS A 72 5.926 13.743 -2.586 1.00 10.00 C ATOM 1114 NZ LYS A 72 5.440 14.408 -3.814 1.00 10.00 N ATOM 0 H LYS A 72 2.838 12.015 -0.855 1.00 10.00 H new ATOM 0 HA LYS A 72 1.960 13.256 1.590 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.503 15.000 1.002 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.254 13.420 0.895 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.205 14.724 -1.616 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.717 15.278 -0.925 1.00 10.00 H new ATOM 0 HD2 LYS A 72 5.189 12.591 -0.915 1.00 10.00 H new ATOM 0 HD3 LYS A 72 4.076 12.677 -2.265 1.00 10.00 H new ATOM 0 HE2 LYS A 72 6.558 14.435 -2.030 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.550 12.893 -2.862 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 6.252 14.713 -4.388 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 4.859 13.742 -4.363 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 4.867 15.237 -3.556 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.227 13.782 0.043 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.446 14.497 -0.318 1.00 10.00 C ATOM 1130 C LYS A 73 -2.557 14.197 0.692 1.00 10.00 C ATOM 1131 O LYS A 73 -3.250 15.111 1.126 1.00 10.00 O ATOM 1132 CB LYS A 73 -1.881 14.136 -1.750 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.573 15.334 -2.422 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.524 14.963 -3.575 1.00 10.00 C ATOM 1135 CE LYS A 73 -4.813 14.280 -3.077 1.00 10.00 C ATOM 1136 NZ LYS A 73 -5.940 14.372 -4.035 1.00 10.00 N ATOM 0 H LYS A 73 -0.400 12.814 0.313 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.245 15.568 -0.291 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.012 13.835 -2.335 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.560 13.283 -1.726 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -3.136 15.882 -1.666 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.809 16.011 -2.803 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -3.785 15.863 -4.131 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -3.008 14.298 -4.268 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -4.603 13.230 -2.875 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -5.112 14.733 -2.132 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -6.836 14.211 -3.533 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -5.951 15.317 -4.468 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -5.825 13.652 -4.777 1.00 10.00 H new ATOM 1150 N TYR A 74 -2.737 12.919 1.049 1.00 10.00 N ATOM 1151 CA TYR A 74 -3.791 12.470 1.954 1.00 10.00 C ATOM 1152 C TYR A 74 -3.700 13.167 3.311 1.00 10.00 C ATOM 1153 O TYR A 74 -4.597 13.912 3.696 1.00 10.00 O ATOM 1154 CB TYR A 74 -3.715 10.943 2.130 1.00 10.00 C ATOM 1155 CG TYR A 74 -4.419 10.163 1.038 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -3.911 10.173 -0.272 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -5.667 9.565 1.293 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -4.707 9.718 -1.334 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -6.429 9.044 0.235 1.00 10.00 C ATOM 1160 CZ TYR A 74 -5.999 9.223 -1.090 1.00 10.00 C ATOM 1161 OH TYR A 74 -6.872 8.993 -2.111 1.00 10.00 O ATOM 0 H TYR A 74 -2.144 12.161 0.710 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.752 12.734 1.512 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -2.668 10.642 2.160 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.151 10.676 3.093 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -2.910 10.530 -0.461 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.040 9.507 2.305 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -4.325 9.748 -2.344 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -7.343 8.507 0.440 1.00 10.00 H new ATOM 0 HH TYR A 74 -6.740 9.665 -2.812 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.638 12.868 4.060 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.447 13.341 5.421 1.00 10.00 C ATOM 1173 C ILE A 75 -0.932 13.506 5.616 1.00 10.00 C ATOM 1174 O ILE A 75 -0.212 12.508 5.658 1.00 10.00 O ATOM 1175 CB ILE A 75 -3.149 12.379 6.410 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -3.064 12.846 7.874 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.652 10.932 6.337 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -4.007 14.015 8.168 1.00 10.00 C ATOM 0 H ILE A 75 -1.875 12.279 3.726 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.909 14.308 5.618 1.00 10.00 H new ATOM 0 HB ILE A 75 -4.188 12.404 6.080 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -3.306 12.012 8.533 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -2.040 13.143 8.099 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -3.194 10.324 7.061 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.821 10.539 5.334 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.586 10.901 6.563 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -3.909 14.307 9.214 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -3.749 14.860 7.530 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -5.035 13.712 7.971 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.401 14.741 5.632 1.00 10.00 N ATOM 1191 CA PRO A 76 1.036 14.973 5.648 1.00 10.00 C ATOM 1192 C PRO A 76 1.615 14.710 7.043 1.00 10.00 C ATOM 1193 O PRO A 76 1.998 15.633 7.757 1.00 10.00 O ATOM 1194 CB PRO A 76 1.224 16.413 5.156 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.085 17.105 5.534 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.127 15.989 5.450 1.00 10.00 C ATOM 0 HA PRO A 76 1.583 14.290 4.999 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.080 16.890 5.633 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.398 16.448 4.081 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.037 17.532 6.536 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.318 17.921 4.850 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.891 16.111 6.218 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.638 16.005 4.487 1.00 10.00 H new ATOM 1204 N GLY A 77 1.694 13.432 7.421 1.00 10.00 N ATOM 1205 CA GLY A 77 2.238 13.000 8.698 1.00 10.00 C ATOM 1206 C GLY A 77 2.044 11.495 8.832 1.00 10.00 C ATOM 1207 O GLY A 77 1.208 11.039 9.607 1.00 10.00 O ATOM 0 H GLY A 77 1.375 12.661 6.835 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.297 13.251 8.761 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.738 13.519 9.516 1.00 10.00 H new ATOM 1211 N THR A 78 2.756 10.709 8.017 1.00 10.00 N ATOM 1212 CA THR A 78 2.599 9.255 7.991 1.00 10.00 C ATOM 1213 C THR A 78 3.868 8.597 7.466 1.00 10.00 C ATOM 1214 O THR A 78 4.451 7.761 8.158 1.00 10.00 O ATOM 1215 CB THR A 78 1.342 8.843 7.189 1.00 10.00 C ATOM 1216 OG1 THR A 78 0.328 9.798 7.359 1.00 10.00 O ATOM 1217 CG2 THR A 78 0.745 7.491 7.602 1.00 10.00 C ATOM 0 H THR A 78 3.453 11.063 7.361 1.00 10.00 H new ATOM 0 HA THR A 78 2.445 8.899 9.010 1.00 10.00 H new ATOM 0 HB THR A 78 1.682 8.768 6.156 1.00 10.00 H new ATOM 0 HG1 THR A 78 0.511 10.574 6.789 1.00 10.00 H new ATOM 0 HG21 THR A 78 -0.132 7.279 6.991 1.00 10.00 H new ATOM 0 HG22 THR A 78 1.487 6.706 7.457 1.00 10.00 H new ATOM 0 HG23 THR A 78 0.455 7.527 8.652 1.00 10.00 H new ATOM 1225 N LYS A 79 4.270 8.947 6.239 1.00 10.00 N ATOM 1226 CA LYS A 79 5.508 8.506 5.608 1.00 10.00 C ATOM 1227 C LYS A 79 5.640 9.147 4.223 1.00 10.00 C ATOM 1228 O LYS A 79 5.464 8.497 3.194 1.00 10.00 O ATOM 1229 CB LYS A 79 5.635 6.976 5.552 1.00 10.00 C ATOM 1230 CG LYS A 79 4.480 6.225 4.862 1.00 10.00 C ATOM 1231 CD LYS A 79 3.456 5.643 5.838 1.00 10.00 C ATOM 1232 CE LYS A 79 4.108 4.676 6.832 1.00 10.00 C ATOM 1233 NZ LYS A 79 3.979 5.098 8.242 1.00 10.00 N ATOM 0 H LYS A 79 3.721 9.566 5.643 1.00 10.00 H new ATOM 0 HA LYS A 79 6.339 8.842 6.228 1.00 10.00 H new ATOM 0 HB2 LYS A 79 6.563 6.727 5.036 1.00 10.00 H new ATOM 0 HB3 LYS A 79 5.727 6.602 6.572 1.00 10.00 H new ATOM 0 HG2 LYS A 79 3.972 6.906 4.179 1.00 10.00 H new ATOM 0 HG3 LYS A 79 4.893 5.417 4.258 1.00 10.00 H new ATOM 0 HD2 LYS A 79 2.971 6.453 6.383 1.00 10.00 H new ATOM 0 HD3 LYS A 79 2.677 5.122 5.281 1.00 10.00 H new ATOM 0 HE2 LYS A 79 3.658 3.690 6.714 1.00 10.00 H new ATOM 0 HE3 LYS A 79 5.165 4.575 6.587 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 4.856 4.873 8.753 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 3.807 6.123 8.283 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 3.183 4.595 8.683 1.00 10.00 H new ATOM 1247 N MET A 80 5.933 10.445 4.202 1.00 10.00 N ATOM 1248 CA MET A 80 6.221 11.172 2.976 1.00 10.00 C ATOM 1249 C MET A 80 7.447 10.559 2.278 1.00 10.00 C ATOM 1250 O MET A 80 8.574 10.767 2.719 1.00 10.00 O ATOM 1251 CB MET A 80 6.381 12.666 3.308 1.00 10.00 C ATOM 1252 CG MET A 80 7.537 12.981 4.274 1.00 10.00 C ATOM 1253 SD MET A 80 7.362 14.531 5.196 1.00 10.00 S ATOM 1254 CE MET A 80 8.700 15.491 4.453 1.00 10.00 C ATOM 0 H MET A 80 5.977 11.022 5.042 1.00 10.00 H new ATOM 0 HA MET A 80 5.397 11.087 2.267 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.538 13.217 2.381 1.00 10.00 H new ATOM 0 HB3 MET A 80 5.450 13.031 3.743 1.00 10.00 H new ATOM 0 HG2 MET A 80 7.630 12.161 4.986 1.00 10.00 H new ATOM 0 HG3 MET A 80 8.466 13.017 3.706 1.00 10.00 H new ATOM 0 HE1 MET A 80 8.734 16.481 4.909 1.00 10.00 H new ATOM 0 HE2 MET A 80 9.649 14.982 4.619 1.00 10.00 H new ATOM 0 HE3 MET A 80 8.525 15.591 3.382 1.00 10.00 H new ATOM 1264 N ILE A 81 7.227 9.772 1.220 1.00 10.00 N ATOM 1265 CA ILE A 81 8.284 9.125 0.446 1.00 10.00 C ATOM 1266 C ILE A 81 8.142 9.483 -1.040 1.00 10.00 C ATOM 1267 O ILE A 81 7.456 10.451 -1.378 1.00 10.00 O ATOM 1268 CB ILE A 81 8.292 7.601 0.711 1.00 10.00 C ATOM 1269 CG1 ILE A 81 6.963 6.923 0.335 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.665 7.261 2.163 1.00 10.00 C ATOM 1271 CD1 ILE A 81 7.227 5.530 -0.247 1.00 10.00 C ATOM 0 H ILE A 81 6.290 9.565 0.873 1.00 10.00 H new ATOM 0 HA ILE A 81 9.257 9.496 0.767 1.00 10.00 H new ATOM 0 HB ILE A 81 9.067 7.201 0.057 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.325 6.843 1.215 1.00 10.00 H new ATOM 0 HG13 ILE A 81 6.427 7.534 -0.392 1.00 10.00 H new ATOM 0 HG21 ILE A 81 8.656 6.179 2.297 1.00 10.00 H new ATOM 0 HG22 ILE A 81 9.661 7.646 2.382 1.00 10.00 H new ATOM 0 HG23 ILE A 81 7.943 7.716 2.840 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.279 5.060 -0.509 1.00 10.00 H new ATOM 0 HD12 ILE A 81 7.847 5.620 -1.139 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.743 4.918 0.493 1.00 10.00 H new ATOM 1283 N PHE A 82 8.795 8.717 -1.927 1.00 10.00 N ATOM 1284 CA PHE A 82 8.689 8.900 -3.368 1.00 10.00 C ATOM 1285 C PHE A 82 7.224 8.811 -3.809 1.00 10.00 C ATOM 1286 O PHE A 82 6.381 8.258 -3.103 1.00 10.00 O ATOM 1287 CB PHE A 82 9.574 7.888 -4.126 1.00 10.00 C ATOM 1288 CG PHE A 82 8.908 6.561 -4.455 1.00 10.00 C ATOM 1289 CD1 PHE A 82 8.161 6.431 -5.644 1.00 10.00 C ATOM 1290 CD2 PHE A 82 8.957 5.486 -3.548 1.00 10.00 C ATOM 1291 CE1 PHE A 82 7.366 5.293 -5.860 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.192 4.328 -3.785 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.366 4.249 -4.920 1.00 10.00 C ATOM 0 H PHE A 82 9.412 7.952 -1.656 1.00 10.00 H new ATOM 0 HA PHE A 82 9.056 9.895 -3.618 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.909 8.348 -5.056 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.465 7.691 -3.529 1.00 10.00 H new ATOM 0 HD1 PHE A 82 8.200 7.209 -6.392 1.00 10.00 H new ATOM 0 HD2 PHE A 82 9.582 5.549 -2.669 1.00 10.00 H new ATOM 0 HE1 PHE A 82 6.755 5.221 -6.748 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.240 3.499 -3.094 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.733 3.387 -5.069 1.00 10.00 H new ATOM 1303 N ALA A 83 6.930 9.345 -4.993 1.00 10.00 N ATOM 1304 CA ALA A 83 5.628 9.255 -5.627 1.00 10.00 C ATOM 1305 C ALA A 83 5.871 9.209 -7.131 1.00 10.00 C ATOM 1306 O ALA A 83 6.992 9.485 -7.560 1.00 10.00 O ATOM 1307 CB ALA A 83 4.799 10.471 -5.223 1.00 10.00 C ATOM 0 H ALA A 83 7.612 9.864 -5.547 1.00 10.00 H new ATOM 0 HA ALA A 83 5.077 8.366 -5.321 1.00 10.00 H new ATOM 0 HB1 ALA A 83 3.817 10.415 -5.694 1.00 10.00 H new ATOM 0 HB2 ALA A 83 4.682 10.488 -4.139 1.00 10.00 H new ATOM 0 HB3 ALA A 83 5.305 11.380 -5.547 1.00 10.00 H new ATOM 1313 N GLY A 84 4.853 8.858 -7.918 1.00 10.00 N ATOM 1314 CA GLY A 84 5.007 8.717 -9.355 1.00 10.00 C ATOM 1315 C GLY A 84 5.625 7.365 -9.671 1.00 10.00 C ATOM 1316 O GLY A 84 6.823 7.272 -9.916 1.00 10.00 O ATOM 0 H GLY A 84 3.911 8.667 -7.576 1.00 10.00 H new ATOM 0 HA2 GLY A 84 4.038 8.809 -9.846 1.00 10.00 H new ATOM 0 HA3 GLY A 84 5.638 9.516 -9.744 1.00 10.00 H new ATOM 1320 N ILE A 85 4.793 6.315 -9.672 1.00 10.00 N ATOM 1321 CA ILE A 85 5.174 4.979 -10.118 1.00 10.00 C ATOM 1322 C ILE A 85 5.826 5.081 -11.495 1.00 10.00 C ATOM 1323 O ILE A 85 7.046 4.992 -11.612 1.00 10.00 O ATOM 1324 CB ILE A 85 3.942 4.039 -10.067 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.798 3.434 -8.686 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.856 2.912 -11.116 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.922 2.469 -8.355 1.00 10.00 C ATOM 0 H ILE A 85 3.825 6.376 -9.358 1.00 10.00 H new ATOM 0 HA ILE A 85 5.916 4.535 -9.454 1.00 10.00 H new ATOM 0 HB ILE A 85 3.120 4.708 -10.321 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.778 4.232 -7.944 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.844 2.912 -8.619 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.944 2.337 -10.958 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.843 3.346 -12.116 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.720 2.256 -11.016 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.771 2.064 -7.354 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.927 1.655 -9.079 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.876 2.995 -8.393 1.00 10.00 H new ATOM 1339 N LYS A 86 5.004 5.243 -12.533 1.00 10.00 N ATOM 1340 CA LYS A 86 5.435 5.500 -13.900 1.00 10.00 C ATOM 1341 C LYS A 86 4.506 6.509 -14.578 1.00 10.00 C ATOM 1342 O LYS A 86 4.953 7.519 -15.111 1.00 10.00 O ATOM 1343 CB LYS A 86 5.476 4.198 -14.712 1.00 10.00 C ATOM 1344 CG LYS A 86 6.161 3.044 -13.968 1.00 10.00 C ATOM 1345 CD LYS A 86 6.915 2.148 -14.951 1.00 10.00 C ATOM 1346 CE LYS A 86 8.428 2.408 -14.830 1.00 10.00 C ATOM 1347 NZ LYS A 86 9.209 1.770 -15.909 1.00 10.00 N ATOM 0 H LYS A 86 3.989 5.197 -12.438 1.00 10.00 H new ATOM 0 HA LYS A 86 6.441 5.919 -13.862 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.458 3.904 -14.967 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.000 4.379 -15.650 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.852 3.442 -13.225 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.417 2.458 -13.429 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.698 1.100 -14.744 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.582 2.347 -15.970 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.609 3.483 -14.844 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.779 2.038 -13.867 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 10.219 1.979 -15.776 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 9.062 0.741 -15.882 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.897 2.141 -16.829 1.00 10.00 H new ATOM 1361 N LYS A 87 3.209 6.189 -14.596 1.00 10.00 N ATOM 1362 CA LYS A 87 2.158 6.941 -15.259 1.00 10.00 C ATOM 1363 C LYS A 87 0.824 6.497 -14.642 1.00 10.00 C ATOM 1364 O LYS A 87 0.674 6.580 -13.426 1.00 10.00 O ATOM 1365 CB LYS A 87 2.278 6.787 -16.783 1.00 10.00 C ATOM 1366 CG LYS A 87 2.548 5.349 -17.257 1.00 10.00 C ATOM 1367 CD LYS A 87 2.671 5.256 -18.783 1.00 10.00 C ATOM 1368 CE LYS A 87 1.387 5.730 -19.477 1.00 10.00 C ATOM 1369 NZ LYS A 87 1.366 5.377 -20.912 1.00 10.00 N ATOM 0 H LYS A 87 2.854 5.357 -14.124 1.00 10.00 H new ATOM 0 HA LYS A 87 2.238 8.016 -15.101 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.357 7.142 -17.245 1.00 10.00 H new ATOM 0 HB3 LYS A 87 3.082 7.431 -17.139 1.00 10.00 H new ATOM 0 HG2 LYS A 87 3.466 4.983 -16.797 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.741 4.699 -16.919 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.513 5.861 -19.119 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.883 4.226 -19.071 1.00 10.00 H new ATOM 0 HE2 LYS A 87 0.523 5.286 -18.982 1.00 10.00 H new ATOM 0 HE3 LYS A 87 1.295 6.811 -19.369 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 0.481 5.716 -21.340 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 2.175 5.822 -21.391 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 1.427 4.344 -21.016 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.117 5.974 -15.439 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.408 5.492 -14.947 1.00 10.00 C ATOM 1385 C LYS A 88 -1.566 3.981 -15.100 1.00 10.00 C ATOM 1386 O LYS A 88 -2.254 3.355 -14.301 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.560 6.303 -15.564 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.893 6.025 -17.042 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.261 5.344 -17.259 1.00 10.00 C ATOM 1390 CE LYS A 88 -4.296 3.881 -16.787 1.00 10.00 C ATOM 1391 NZ LYS A 88 -5.511 3.154 -17.218 1.00 10.00 N ATOM 0 H LYS A 88 -0.001 5.874 -16.447 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.446 5.663 -13.871 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.458 6.120 -14.974 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.322 7.362 -15.463 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.876 6.966 -17.591 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -2.113 5.394 -17.467 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -5.028 5.908 -16.728 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -4.514 5.382 -18.319 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -3.417 3.363 -17.169 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -4.233 3.856 -15.699 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -5.473 2.175 -16.868 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -6.353 3.627 -16.833 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -5.562 3.148 -18.257 1.00 10.00 H new ATOM 1405 N THR A 89 -0.954 3.389 -16.126 1.00 10.00 N ATOM 1406 CA THR A 89 -1.061 1.964 -16.390 1.00 10.00 C ATOM 1407 C THR A 89 -0.423 1.176 -15.249 1.00 10.00 C ATOM 1408 O THR A 89 -1.124 0.506 -14.494 1.00 10.00 O ATOM 1409 CB THR A 89 -0.435 1.681 -17.761 1.00 10.00 C ATOM 1410 OG1 THR A 89 -1.074 2.507 -18.718 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.576 0.211 -18.157 1.00 10.00 C ATOM 0 H THR A 89 -0.370 3.890 -16.796 1.00 10.00 H new ATOM 0 HA THR A 89 -2.101 1.641 -16.431 1.00 10.00 H new ATOM 0 HB THR A 89 0.632 1.898 -17.715 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.686 2.342 -19.603 1.00 10.00 H new ATOM 0 HG21 THR A 89 -0.120 0.052 -19.134 1.00 10.00 H new ATOM 0 HG22 THR A 89 -0.076 -0.415 -17.417 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.632 -0.054 -18.202 1.00 10.00 H new ATOM 1419 N GLU A 90 0.896 1.309 -15.089 1.00 10.00 N ATOM 1420 CA GLU A 90 1.644 0.508 -14.139 1.00 10.00 C ATOM 1421 C GLU A 90 1.026 0.516 -12.733 1.00 10.00 C ATOM 1422 O GLU A 90 0.940 -0.533 -12.107 1.00 10.00 O ATOM 1423 CB GLU A 90 3.118 0.942 -14.122 1.00 10.00 C ATOM 1424 CG GLU A 90 4.079 -0.097 -14.746 1.00 10.00 C ATOM 1425 CD GLU A 90 4.609 0.176 -16.146 1.00 10.00 C ATOM 1426 OE1 GLU A 90 4.324 1.266 -16.684 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.367 -0.712 -16.613 1.00 10.00 O ATOM 0 H GLU A 90 1.465 1.973 -15.614 1.00 10.00 H new ATOM 0 HA GLU A 90 1.593 -0.528 -14.474 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.216 1.884 -14.661 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.420 1.131 -13.092 1.00 10.00 H new ATOM 0 HG2 GLU A 90 4.935 -0.204 -14.079 1.00 10.00 H new ATOM 0 HG3 GLU A 90 3.566 -1.059 -14.764 1.00 10.00 H new ATOM 1434 N ARG A 91 0.596 1.669 -12.211 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.045 1.709 -10.903 1.00 10.00 C ATOM 1436 C ARG A 91 -1.291 0.806 -10.859 1.00 10.00 C ATOM 1437 O ARG A 91 -1.507 0.076 -9.892 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.359 3.157 -10.507 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.279 3.928 -11.461 1.00 10.00 C ATOM 1440 CD ARG A 91 -1.616 5.342 -10.960 1.00 10.00 C ATOM 1441 NE ARG A 91 -2.915 5.787 -11.500 1.00 10.00 N ATOM 1442 CZ ARG A 91 -3.301 7.052 -11.740 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -2.490 8.084 -11.482 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -4.518 7.268 -12.253 1.00 10.00 N ATOM 0 H ARG A 91 0.681 2.575 -12.672 1.00 10.00 H new ATOM 0 HA ARG A 91 0.650 1.310 -10.164 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -0.816 3.152 -9.518 1.00 10.00 H new ATOM 0 HB3 ARG A 91 0.581 3.702 -10.421 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -0.802 3.999 -12.438 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -2.204 3.367 -11.598 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -1.647 5.350 -9.870 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -0.833 6.037 -11.262 1.00 10.00 H new ATOM 0 HE ARG A 91 -3.593 5.056 -11.714 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -1.560 7.918 -11.096 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -2.801 9.037 -11.671 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -5.134 6.480 -12.455 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -4.830 8.220 -12.442 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.100 0.846 -11.920 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.312 0.036 -12.038 1.00 10.00 C ATOM 1460 C GLU A 92 -2.918 -1.449 -12.106 1.00 10.00 C ATOM 1461 O GLU A 92 -3.498 -2.322 -11.459 1.00 10.00 O ATOM 1462 CB GLU A 92 -4.095 0.495 -13.286 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.621 0.482 -13.110 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.191 -0.922 -12.973 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.451 -1.531 -14.036 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.347 -1.383 -11.826 1.00 10.00 O ATOM 0 H GLU A 92 -1.930 1.446 -12.727 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.960 0.164 -11.171 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.779 1.505 -13.549 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.831 -0.150 -14.124 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.884 1.063 -12.226 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -6.084 0.975 -13.965 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.873 -1.740 -12.879 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.357 -3.100 -13.021 1.00 10.00 C ATOM 1475 C ASP A 93 -0.911 -3.617 -11.656 1.00 10.00 C ATOM 1476 O ASP A 93 -1.219 -4.739 -11.260 1.00 10.00 O ATOM 1477 CB ASP A 93 -0.233 -3.132 -14.057 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.700 -2.797 -15.466 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.914 -2.956 -15.735 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.178 -2.390 -16.254 1.00 10.00 O ATOM 0 H ASP A 93 -1.363 -1.043 -13.422 1.00 10.00 H new ATOM 0 HA ASP A 93 -2.141 -3.764 -13.386 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.543 -2.426 -13.762 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.221 -4.123 -14.059 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.232 -2.758 -10.901 1.00 10.00 N ATOM 1486 CA LEU A 94 0.140 -3.018 -9.524 1.00 10.00 C ATOM 1487 C LEU A 94 -1.068 -3.514 -8.725 1.00 10.00 C ATOM 1488 O LEU A 94 -1.015 -4.609 -8.160 1.00 10.00 O ATOM 1489 CB LEU A 94 0.774 -1.756 -8.921 1.00 10.00 C ATOM 1490 CG LEU A 94 2.078 -2.084 -8.198 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.835 -0.794 -7.886 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.805 -2.841 -6.912 1.00 10.00 C ATOM 0 H LEU A 94 0.078 -1.847 -11.240 1.00 10.00 H new ATOM 0 HA LEU A 94 0.884 -3.814 -9.483 1.00 10.00 H new ATOM 0 HB2 LEU A 94 0.966 -1.030 -9.711 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.076 -1.292 -8.224 1.00 10.00 H new ATOM 0 HG LEU A 94 2.684 -2.714 -8.849 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.765 -1.033 -7.370 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.060 -0.270 -8.815 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.221 -0.157 -7.250 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.748 -3.064 -6.414 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.183 -2.232 -6.256 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.287 -3.772 -7.141 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.161 -2.737 -8.718 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.424 -3.151 -8.112 1.00 10.00 C ATOM 1506 C ILE A 95 -3.826 -4.540 -8.592 1.00 10.00 C ATOM 1507 O ILE A 95 -4.219 -5.371 -7.779 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.547 -2.119 -8.365 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.567 -1.063 -7.258 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.949 -2.746 -8.439 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.492 -0.004 -7.445 1.00 10.00 C ATOM 0 H ILE A 95 -2.189 -1.806 -9.133 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.272 -3.198 -7.034 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.318 -1.674 -9.333 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.545 -0.583 -7.236 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.429 -1.550 -6.293 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.688 -1.965 -8.618 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.981 -3.470 -9.253 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.173 -3.248 -7.498 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.550 0.721 -6.633 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.510 -0.477 -7.440 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.644 0.505 -8.397 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.773 -4.787 -9.901 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.198 -6.061 -10.463 1.00 10.00 C ATOM 1525 C ALA A 96 -3.514 -7.237 -9.773 1.00 10.00 C ATOM 1526 O ALA A 96 -4.181 -8.189 -9.371 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.929 -6.090 -11.959 1.00 10.00 C ATOM 0 H ALA A 96 -3.438 -4.115 -10.592 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.270 -6.160 -10.293 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.251 -7.048 -12.368 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.481 -5.284 -12.444 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.862 -5.959 -12.139 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.188 -7.172 -9.621 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.487 -8.191 -8.852 1.00 10.00 C ATOM 1535 C TYR A 97 -1.969 -8.178 -7.415 1.00 10.00 C ATOM 1536 O TYR A 97 -2.466 -9.190 -6.921 1.00 10.00 O ATOM 1537 CB TYR A 97 0.022 -7.991 -8.895 1.00 10.00 C ATOM 1538 CG TYR A 97 0.795 -8.954 -8.015 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.739 -10.334 -8.285 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.602 -8.481 -6.961 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.510 -11.232 -7.530 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.414 -9.377 -6.242 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.357 -10.755 -6.518 1.00 10.00 C ATOM 1544 OH TYR A 97 3.185 -11.629 -5.880 1.00 10.00 O ATOM 0 H TYR A 97 -1.594 -6.441 -10.012 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.708 -9.158 -9.303 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.364 -8.100 -9.924 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.252 -6.970 -8.589 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.101 -10.703 -9.075 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.597 -7.432 -6.705 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.451 -12.292 -7.728 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.081 -9.007 -5.478 1.00 10.00 H new ATOM 0 HH TYR A 97 3.710 -11.149 -5.206 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.789 -7.029 -6.760 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.154 -6.814 -5.371 1.00 10.00 C ATOM 1556 C LEU A 98 -3.479 -7.494 -5.020 1.00 10.00 C ATOM 1557 O LEU A 98 -3.529 -8.213 -4.029 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.143 -5.313 -5.036 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.073 -4.928 -3.998 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.011 -4.030 -4.611 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.711 -4.213 -2.812 1.00 10.00 C ATOM 0 H LEU A 98 -1.375 -6.206 -7.198 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.402 -7.289 -4.741 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.973 -4.745 -5.951 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.125 -5.025 -4.660 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.601 -5.849 -3.657 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.731 -3.775 -3.854 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.476 -4.552 -5.435 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.477 -3.118 -4.984 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.940 -3.949 -2.089 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.210 -3.308 -3.158 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.441 -4.871 -2.340 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.542 -7.304 -5.808 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.822 -7.973 -5.580 1.00 10.00 C ATOM 1575 C LYS A 99 -5.648 -9.452 -5.226 1.00 10.00 C ATOM 1576 O LYS A 99 -6.073 -9.879 -4.155 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.770 -7.811 -6.777 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.429 -6.427 -6.803 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.655 -6.425 -7.733 1.00 10.00 C ATOM 1580 CE LYS A 99 -8.744 -5.085 -8.474 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.055 -4.860 -9.113 1.00 10.00 N ATOM 0 H LYS A 99 -4.537 -6.684 -6.618 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.276 -7.481 -4.720 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.215 -7.966 -7.702 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.542 -8.580 -6.735 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.731 -6.144 -5.795 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.709 -5.682 -7.141 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.580 -7.243 -8.450 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.563 -6.591 -7.153 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -8.545 -4.275 -7.772 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -7.965 -5.046 -9.235 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -10.161 -3.851 -9.343 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -10.117 -5.422 -9.986 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -10.813 -5.148 -8.461 1.00 10.00 H new ATOM 1595 N LYS A 100 -5.020 -10.241 -6.101 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.824 -11.647 -5.847 1.00 10.00 C ATOM 1597 C LYS A 100 -3.771 -11.830 -4.751 1.00 10.00 C ATOM 1598 O LYS A 100 -3.937 -12.663 -3.864 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.422 -12.322 -7.165 1.00 10.00 C ATOM 1600 CG LYS A 100 -4.250 -13.829 -6.949 1.00 10.00 C ATOM 1601 CD LYS A 100 -5.220 -14.676 -7.786 1.00 10.00 C ATOM 1602 CE LYS A 100 -4.703 -14.932 -9.209 1.00 10.00 C ATOM 1603 NZ LYS A 100 -3.858 -16.144 -9.278 1.00 10.00 N ATOM 0 H LYS A 100 -4.642 -9.917 -6.991 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.741 -12.115 -5.488 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -5.183 -12.139 -7.924 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.492 -11.891 -7.536 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -3.226 -14.110 -7.196 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.397 -14.057 -5.893 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -5.387 -15.630 -7.287 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -6.185 -14.171 -7.839 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -5.548 -15.039 -9.889 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -4.129 -14.069 -9.548 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -3.529 -16.282 -10.255 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -3.038 -16.032 -8.649 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -4.413 -16.971 -8.979 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.675 -11.076 -4.833 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.506 -11.279 -3.993 1.00 10.00 C ATOM 1619 C ALA A 101 -1.875 -11.148 -2.517 1.00 10.00 C ATOM 1620 O ALA A 101 -1.518 -11.975 -1.689 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.426 -10.271 -4.386 1.00 10.00 C ATOM 0 H ALA A 101 -2.578 -10.303 -5.491 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.119 -12.287 -4.143 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.454 -10.418 -3.760 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.155 -10.417 -5.432 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.805 -9.259 -4.247 1.00 10.00 H new ATOM 1627 N THR A 102 -2.609 -10.086 -2.193 1.00 10.00 N ATOM 1628 CA THR A 102 -3.024 -9.809 -0.834 1.00 10.00 C ATOM 1629 C THR A 102 -4.079 -10.796 -0.341 1.00 10.00 C ATOM 1630 O THR A 102 -4.130 -11.074 0.858 1.00 10.00 O ATOM 1631 CB THR A 102 -3.556 -8.383 -0.716 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.680 -8.221 -1.551 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.492 -7.356 -1.093 1.00 10.00 C ATOM 0 H THR A 102 -2.930 -9.396 -2.872 1.00 10.00 H new ATOM 0 HA THR A 102 -2.142 -9.922 -0.203 1.00 10.00 H new ATOM 0 HB THR A 102 -3.838 -8.217 0.324 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.383 -8.058 -2.471 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.905 -6.352 -0.998 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.634 -7.460 -0.428 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.175 -7.522 -2.123 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.945 -11.249 -1.255 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.991 -12.228 -0.994 1.00 10.00 C ATOM 1643 C ASN A 103 -5.353 -13.553 -0.574 1.00 10.00 C ATOM 1644 O ASN A 103 -5.616 -14.018 0.531 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.885 -12.342 -2.239 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.090 -13.261 -2.060 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -7.974 -14.398 -1.629 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.278 -12.786 -2.426 1.00 10.00 N ATOM 0 H ASN A 103 -4.932 -10.931 -2.224 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.631 -11.918 -0.168 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.238 -11.347 -2.512 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.284 -12.707 -3.072 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.108 -13.374 -2.348 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.358 -11.834 -2.784 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.474 -14.081 -1.434 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.681 -15.285 -1.209 1.00 10.00 C ATOM 1657 C GLU A 104 -4.546 -16.453 -0.701 1.00 10.00 C ATOM 1658 O GLU A 104 -5.432 -16.861 -1.487 1.00 10.00 O ATOM 1659 CB GLU A 104 -2.436 -14.938 -0.358 1.00 10.00 C ATOM 1660 CG GLU A 104 -1.088 -15.210 -1.055 1.00 10.00 C ATOM 1661 CD GLU A 104 -0.486 -16.562 -0.689 1.00 10.00 C ATOM 1662 OE1 GLU A 104 0.151 -16.618 0.392 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -0.622 -17.492 -1.516 1.00 10.00 O ATOM 1664 OXT GLU A 104 -4.318 -16.934 0.432 1.00 10.00 O ATOM 0 H GLU A 104 -4.292 -13.659 -2.344 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.290 -15.663 -2.153 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -2.482 -13.884 -0.083 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -2.474 -15.511 0.568 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -1.228 -15.162 -2.135 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -0.383 -14.422 -0.790 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.573 5.140 0.449 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.866 3.850 0.214 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.294 3.048 1.124 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.577 3.897 1.971 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.757 5.190 1.557 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.897 5.939 -0.096 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.336 6.085 2.016 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.973 3.582 2.822 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.488 3.500 -0.610 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.473 1.098 1.269 1.00 10.00 FE HETATM 1682 CHA HEC A 110 1.053 1.134 3.683 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.188 0.216 -1.086 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.916 1.306 -1.143 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.894 1.379 3.682 1.00 10.00 C HETATM 1686 NA HEC A 110 1.501 0.793 1.285 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.696 0.878 2.382 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.662 0.627 1.963 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.631 0.362 0.614 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.755 0.449 0.202 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.831 0.106 -0.280 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.886 0.705 2.844 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.049 -0.446 3.849 1.00 10.00 C HETATM 1694 CGA HEC A 110 -2.224 0.061 5.285 1.00 10.00 C HETATM 1695 O1A HEC A 110 -3.318 0.594 5.594 1.00 10.00 O HETATM 1696 O2A HEC A 110 -1.235 -0.045 6.040 1.00 10.00 O HETATM 1697 NB HEC A 110 3.543 0.825 -0.722 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.497 0.410 -1.480 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.984 0.177 -2.825 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.301 0.572 -2.860 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.647 0.951 -1.511 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.218 -0.427 -3.979 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.240 0.528 -4.060 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.659 1.212 -5.311 1.00 10.00 C HETATM 1705 NC HEC A 110 5.513 1.333 1.262 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.297 1.393 0.162 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.679 1.484 0.564 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.691 1.410 1.937 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.301 1.379 2.366 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.877 1.534 -0.365 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.914 1.288 2.834 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.143 2.144 2.493 1.00 10.00 C HETATM 1713 ND HEC A 110 3.468 1.275 3.292 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.573 1.375 4.068 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.147 1.445 5.449 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.771 1.441 5.448 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.356 1.273 4.076 1.00 10.00 C HETATM 1718 CMD HEC A 110 5.050 1.428 6.666 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.854 1.564 6.651 1.00 10.00 C HETATM 1720 CBD HEC A 110 0.916 2.789 6.594 1.00 10.00 C HETATM 1721 CGD HEC A 110 0.958 3.716 7.819 1.00 10.00 C HETATM 1722 O1D HEC A 110 0.091 4.609 7.892 1.00 10.00 O HETATM 1723 O2D HEC A 110 1.924 3.638 8.615 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.624 0.501 6.681 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.733 2.277 6.624 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.444 1.494 7.570 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.903 0.630 -0.974 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.798 2.406 -1.014 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.792 1.602 0.224 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.897 -1.435 -3.715 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.344 0.187 -4.196 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.860 -0.469 -4.859 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.374 -0.767 0.081 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.489 0.975 -0.264 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.493 -0.074 -1.300 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 1.166 3.374 5.709 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 -0.107 2.435 6.464 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.497 1.890 1.494 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.872 3.199 2.525 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.934 1.951 3.218 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.733 0.715 -5.600 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.455 2.260 -5.091 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.377 1.145 -6.129 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.913 -1.050 3.571 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -1.176 -1.097 3.799 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 1.251 0.659 6.731 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.461 1.624 7.555 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -1.857 1.645 3.395 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.770 0.737 2.207 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.659 1.382 4.459 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.647 1.527 -1.921 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.467 -0.136 -1.824 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.267 1.230 4.432 1.00 10.00 H new HETATM 0 H2D HEC A 110 1.598 3.727 9.535 1.00 10.00 H new HETATM 0 H2A HEC A 110 -1.444 0.353 6.911 1.00 10.00 H new