USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 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 Set 1.1: A 47 SER OG : rot -81:sc= 1.81 USER MOD Set 1.2: A 54 GLN : amide:sc= -1.07 K(o=0.24,f=-7.1!) USER MOD Set 1.3: A 61 HIS : no HD1:sc= -0.502 X(o=0.24,f=-0.043) USER MOD Single : A 1 ALA N :NH3+ -148:sc= 1.12 (180deg=0.514) USER MOD Single : A 2 ASN : amide:sc= 0.154 K(o=0.15,f=-4.3!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -34:sc= 0.36 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 100:sc= 1.23 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0915 USER MOD Single : A 29 GLN : amide:sc= 0.0284 K(o=0.028,f=-3.8!) USER MOD Single : A 36 ASN : amide:sc= -2.05 K(o=-2.1,f=-3.6) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -154:sc= -1.52 (180deg=-1.76) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -45:sc= 1.21 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0439 USER MOD Single : A 60 GLN : amide:sc= 0.833 K(o=0.83,f=-0.0055) USER MOD Single : A 65 TYR OH : rot -41:sc= 1.72 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.568 8.793 -6.641 1.00 0.00 N ATOM 2 CA ALA A 1 -7.346 9.407 -6.102 1.00 0.00 C ATOM 3 C ALA A 1 -6.110 8.688 -6.634 1.00 0.00 C ATOM 4 O ALA A 1 -6.230 7.682 -7.337 1.00 0.00 O ATOM 5 CB ALA A 1 -7.375 9.407 -4.569 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.303 9.521 -6.750 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.363 8.366 -7.567 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.904 8.057 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.299 10.444 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.462 9.865 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.238 9.974 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.445 8.381 -4.206 1.00 0.00 H new ATOM 13 N ASN A 2 -4.914 9.167 -6.276 1.00 0.00 N ATOM 14 CA ASN A 2 -3.672 8.420 -6.487 1.00 0.00 C ATOM 15 C ASN A 2 -3.694 7.309 -5.442 1.00 0.00 C ATOM 16 O ASN A 2 -4.033 7.595 -4.291 1.00 0.00 O ATOM 17 CB ASN A 2 -2.357 9.224 -6.249 1.00 0.00 C ATOM 18 CG ASN A 2 -2.404 10.713 -5.907 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.373 11.426 -6.139 1.00 0.00 O ATOM 20 ND2 ASN A 2 -1.346 11.225 -5.301 1.00 0.00 N ATOM 0 H ASN A 2 -4.781 10.077 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.652 8.104 -7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.818 8.726 -5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.750 9.121 -7.149 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.340 12.208 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.536 10.637 -5.105 1.00 0.00 H new ATOM 27 N VAL A 3 -3.280 6.093 -5.794 1.00 0.00 N ATOM 28 CA VAL A 3 -3.051 5.004 -4.855 1.00 0.00 C ATOM 29 C VAL A 3 -1.796 4.285 -5.289 1.00 0.00 C ATOM 30 O VAL A 3 -1.748 3.707 -6.370 1.00 0.00 O ATOM 31 CB VAL A 3 -4.243 4.034 -4.766 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.952 2.870 -3.796 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.442 4.806 -4.213 1.00 0.00 C ATOM 0 H VAL A 3 -3.091 5.835 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.936 5.415 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.434 3.629 -5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.814 2.204 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.081 2.315 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.755 3.267 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.302 4.140 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.200 5.195 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.681 5.634 -4.880 1.00 0.00 H new ATOM 43 N GLU A 4 -0.803 4.284 -4.413 1.00 0.00 N ATOM 44 CA GLU A 4 0.419 3.527 -4.567 1.00 0.00 C ATOM 45 C GLU A 4 0.463 2.458 -3.475 1.00 0.00 C ATOM 46 O GLU A 4 -0.052 2.688 -2.378 1.00 0.00 O ATOM 47 CB GLU A 4 1.584 4.528 -4.493 1.00 0.00 C ATOM 48 CG GLU A 4 1.791 5.291 -5.808 1.00 0.00 C ATOM 49 CD GLU A 4 2.854 6.388 -5.685 1.00 0.00 C ATOM 50 OE1 GLU A 4 4.011 6.088 -5.312 1.00 0.00 O ATOM 51 OE2 GLU A 4 2.553 7.562 -6.002 1.00 0.00 O ATOM 0 H GLU A 4 -0.831 4.828 -3.551 1.00 0.00 H new ATOM 0 HA GLU A 4 0.484 3.005 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.396 5.240 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.500 3.995 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.085 4.590 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.846 5.737 -6.119 1.00 0.00 H new ATOM 58 N ILE A 5 1.053 1.289 -3.755 1.00 0.00 N ATOM 59 CA ILE A 5 1.172 0.208 -2.778 1.00 0.00 C ATOM 60 C ILE A 5 2.532 -0.488 -2.882 1.00 0.00 C ATOM 61 O ILE A 5 2.826 -1.163 -3.867 1.00 0.00 O ATOM 62 CB ILE A 5 -0.060 -0.727 -2.823 1.00 0.00 C ATOM 63 CG1 ILE A 5 -0.089 -1.554 -1.514 1.00 0.00 C ATOM 64 CG2 ILE A 5 -0.168 -1.647 -4.051 1.00 0.00 C ATOM 65 CD1 ILE A 5 -1.315 -2.463 -1.353 1.00 0.00 C ATOM 0 H ILE A 5 1.459 1.070 -4.664 1.00 0.00 H new ATOM 0 HA ILE A 5 1.158 0.628 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.930 -0.077 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.810 -2.169 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.049 -0.869 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.069 -2.255 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.216 -1.042 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.705 -2.298 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.247 -3.002 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.221 -1.857 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.349 -3.177 -2.176 1.00 0.00 H new ATOM 77 N TYR A 6 3.388 -0.307 -1.878 1.00 0.00 N ATOM 78 CA TYR A 6 4.689 -0.960 -1.813 1.00 0.00 C ATOM 79 C TYR A 6 4.547 -2.403 -1.317 1.00 0.00 C ATOM 80 O TYR A 6 3.760 -2.681 -0.405 1.00 0.00 O ATOM 81 CB TYR A 6 5.660 -0.133 -0.970 1.00 0.00 C ATOM 82 CG TYR A 6 6.577 0.785 -1.727 1.00 0.00 C ATOM 83 CD1 TYR A 6 7.786 0.273 -2.221 1.00 0.00 C ATOM 84 CD2 TYR A 6 6.255 2.145 -1.877 1.00 0.00 C ATOM 85 CE1 TYR A 6 8.723 1.129 -2.824 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.177 3.001 -2.502 1.00 0.00 C ATOM 87 CZ TYR A 6 8.427 2.506 -2.943 1.00 0.00 C ATOM 88 OH TYR A 6 9.353 3.355 -3.462 1.00 0.00 O ATOM 0 H TYR A 6 3.195 0.302 -1.083 1.00 0.00 H new ATOM 0 HA TYR A 6 5.112 -1.017 -2.816 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.080 0.465 -0.267 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.270 -0.817 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.997 -0.783 -2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.311 2.527 -1.517 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.660 0.739 -3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.930 4.042 -2.647 1.00 0.00 H new ATOM 0 HH TYR A 6 8.991 4.266 -3.475 1.00 0.00 H new ATOM 98 N THR A 7 5.319 -3.308 -1.925 1.00 0.00 N ATOM 99 CA THR A 7 5.257 -4.765 -1.826 1.00 0.00 C ATOM 100 C THR A 7 6.660 -5.354 -2.100 1.00 0.00 C ATOM 101 O THR A 7 7.582 -4.594 -2.370 1.00 0.00 O ATOM 102 CB THR A 7 4.228 -5.275 -2.852 1.00 0.00 C ATOM 103 OG1 THR A 7 4.586 -4.891 -4.170 1.00 0.00 O ATOM 104 CG2 THR A 7 2.797 -4.788 -2.606 1.00 0.00 C ATOM 0 H THR A 7 6.067 -3.012 -2.552 1.00 0.00 H new ATOM 0 HA THR A 7 4.949 -5.077 -0.828 1.00 0.00 H new ATOM 0 HB THR A 7 4.244 -6.358 -2.732 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.027 -4.016 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.138 -5.193 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.462 -5.124 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.772 -3.699 -2.644 1.00 0.00 H new ATOM 112 N LYS A 8 6.885 -6.674 -2.043 1.00 0.00 N ATOM 113 CA LYS A 8 8.198 -7.299 -2.318 1.00 0.00 C ATOM 114 C LYS A 8 8.007 -8.681 -2.957 1.00 0.00 C ATOM 115 O LYS A 8 6.871 -9.044 -3.259 1.00 0.00 O ATOM 116 CB LYS A 8 9.121 -7.347 -1.068 1.00 0.00 C ATOM 117 CG LYS A 8 8.571 -6.853 0.275 1.00 0.00 C ATOM 118 CD LYS A 8 9.474 -7.267 1.453 1.00 0.00 C ATOM 119 CE LYS A 8 9.128 -8.697 1.891 1.00 0.00 C ATOM 120 NZ LYS A 8 10.135 -9.299 2.780 1.00 0.00 N ATOM 0 H LYS A 8 6.158 -7.349 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 8 8.720 -6.664 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.441 -8.380 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.013 -6.763 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.479 -5.767 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.569 -7.255 0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.522 -7.210 1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.339 -6.578 2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.164 -8.689 2.400 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.016 -9.323 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.840 -10.262 3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.052 -9.337 2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.226 -8.723 3.641 1.00 0.00 H new ATOM 134 N GLU A 9 9.098 -9.437 -3.148 1.00 0.00 N ATOM 135 CA GLU A 9 9.115 -10.813 -3.668 1.00 0.00 C ATOM 136 C GLU A 9 8.116 -11.713 -2.920 1.00 0.00 C ATOM 137 O GLU A 9 7.459 -12.589 -3.482 1.00 0.00 O ATOM 138 CB GLU A 9 10.560 -11.367 -3.582 1.00 0.00 C ATOM 139 CG GLU A 9 10.978 -11.734 -2.147 1.00 0.00 C ATOM 140 CD GLU A 9 12.439 -12.141 -1.969 1.00 0.00 C ATOM 141 OE1 GLU A 9 12.795 -13.265 -2.386 1.00 0.00 O ATOM 142 OE2 GLU A 9 13.198 -11.418 -1.280 1.00 0.00 O ATOM 0 H GLU A 9 10.034 -9.091 -2.935 1.00 0.00 H new ATOM 0 HA GLU A 9 8.799 -10.805 -4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.643 -12.250 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.252 -10.624 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.776 -10.881 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.347 -12.553 -1.802 1.00 0.00 H new ATOM 149 N THR A 10 7.967 -11.465 -1.625 1.00 0.00 N ATOM 150 CA THR A 10 7.067 -12.113 -0.700 1.00 0.00 C ATOM 151 C THR A 10 6.493 -10.995 0.168 1.00 0.00 C ATOM 152 O THR A 10 7.094 -9.920 0.238 1.00 0.00 O ATOM 153 CB THR A 10 7.854 -13.172 0.094 1.00 0.00 C ATOM 154 OG1 THR A 10 6.988 -13.801 1.009 1.00 0.00 O ATOM 155 CG2 THR A 10 9.033 -12.604 0.892 1.00 0.00 C ATOM 0 H THR A 10 8.522 -10.744 -1.164 1.00 0.00 H new ATOM 0 HA THR A 10 6.246 -12.646 -1.180 1.00 0.00 H new ATOM 0 HB THR A 10 8.257 -13.863 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.483 -14.478 1.516 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.536 -13.412 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.736 -12.125 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.667 -11.871 1.610 1.00 0.00 H new ATOM 163 N CYS A 11 5.357 -11.243 0.828 1.00 0.00 N ATOM 164 CA CYS A 11 4.734 -10.432 1.874 1.00 0.00 C ATOM 165 C CYS A 11 3.282 -10.917 1.999 1.00 0.00 C ATOM 166 O CYS A 11 2.488 -10.613 1.099 1.00 0.00 O ATOM 167 CB CYS A 11 4.829 -8.929 1.564 1.00 0.00 C ATOM 168 SG CYS A 11 3.815 -7.800 2.529 1.00 0.00 S ATOM 0 H CYS A 11 4.809 -12.080 0.628 1.00 0.00 H new ATOM 0 HA CYS A 11 5.254 -10.554 2.824 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.870 -8.629 1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.577 -8.789 0.513 1.00 0.00 H new ATOM 173 N PRO A 12 2.899 -11.666 3.051 1.00 0.00 N ATOM 174 CA PRO A 12 1.547 -12.210 3.188 1.00 0.00 C ATOM 175 C PRO A 12 0.522 -11.082 3.306 1.00 0.00 C ATOM 176 O PRO A 12 -0.507 -11.105 2.637 1.00 0.00 O ATOM 177 CB PRO A 12 1.587 -13.098 4.437 1.00 0.00 C ATOM 178 CG PRO A 12 2.723 -12.515 5.270 1.00 0.00 C ATOM 179 CD PRO A 12 3.706 -12.012 4.215 1.00 0.00 C ATOM 0 HA PRO A 12 1.242 -12.789 2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.641 -13.069 4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.775 -14.140 4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.376 -11.708 5.915 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.176 -13.267 5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.260 -11.146 4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.440 -12.779 3.968 1.00 0.00 H new ATOM 187 N TYR A 13 0.835 -10.019 4.048 1.00 0.00 N ATOM 188 CA TYR A 13 -0.109 -8.934 4.277 1.00 0.00 C ATOM 189 C TYR A 13 -0.264 -8.089 3.011 1.00 0.00 C ATOM 190 O TYR A 13 -1.336 -7.545 2.762 1.00 0.00 O ATOM 191 CB TYR A 13 0.401 -8.084 5.444 1.00 0.00 C ATOM 192 CG TYR A 13 0.426 -8.833 6.759 1.00 0.00 C ATOM 193 CD1 TYR A 13 -0.772 -9.033 7.468 1.00 0.00 C ATOM 194 CD2 TYR A 13 1.634 -9.364 7.254 1.00 0.00 C ATOM 195 CE1 TYR A 13 -0.770 -9.786 8.653 1.00 0.00 C ATOM 196 CE2 TYR A 13 1.637 -10.137 8.429 1.00 0.00 C ATOM 197 CZ TYR A 13 0.428 -10.359 9.124 1.00 0.00 C ATOM 198 OH TYR A 13 0.408 -11.094 10.268 1.00 0.00 O ATOM 0 H TYR A 13 1.740 -9.890 4.501 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.090 -9.338 4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.406 -7.730 5.215 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.232 -7.202 5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.694 -8.607 7.101 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.560 -9.177 6.730 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.688 -9.926 9.204 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.560 -10.559 8.798 1.00 0.00 H new ATOM 0 HH TYR A 13 1.311 -11.423 10.461 1.00 0.00 H new ATOM 208 N CYS A 14 0.752 -8.043 2.148 1.00 0.00 N ATOM 209 CA CYS A 14 0.641 -7.434 0.834 1.00 0.00 C ATOM 210 C CYS A 14 -0.349 -8.217 -0.015 1.00 0.00 C ATOM 211 O CYS A 14 -1.212 -7.604 -0.637 1.00 0.00 O ATOM 212 CB CYS A 14 2.001 -7.359 0.140 1.00 0.00 C ATOM 213 SG CYS A 14 3.290 -6.486 1.068 1.00 0.00 S ATOM 0 H CYS A 14 1.675 -8.430 2.347 1.00 0.00 H new ATOM 0 HA CYS A 14 0.278 -6.414 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.345 -8.373 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.873 -6.867 -0.824 1.00 0.00 H new ATOM 218 N HIS A 15 -0.263 -9.552 -0.010 1.00 0.00 N ATOM 219 CA HIS A 15 -1.279 -10.379 -0.644 1.00 0.00 C ATOM 220 C HIS A 15 -2.657 -10.055 -0.066 1.00 0.00 C ATOM 221 O HIS A 15 -3.565 -9.818 -0.852 1.00 0.00 O ATOM 222 CB HIS A 15 -0.921 -11.870 -0.559 1.00 0.00 C ATOM 223 CG HIS A 15 -2.090 -12.776 -0.832 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.830 -12.830 -1.997 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.608 -13.675 0.053 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.783 -13.765 -1.826 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.667 -14.292 -0.588 1.00 0.00 N ATOM 0 H HIS A 15 0.498 -10.074 0.425 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.316 -10.145 -1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.126 -12.088 -1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.526 -12.086 0.434 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.260 -13.867 1.057 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.522 -14.048 -2.561 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.260 -15.022 -0.193 1.00 0.00 H new ATOM 236 N ARG A 16 -2.827 -9.978 1.262 1.00 0.00 N ATOM 237 CA ARG A 16 -4.115 -9.635 1.871 1.00 0.00 C ATOM 238 C ARG A 16 -4.658 -8.313 1.313 1.00 0.00 C ATOM 239 O ARG A 16 -5.783 -8.266 0.821 1.00 0.00 O ATOM 240 CB ARG A 16 -4.026 -9.607 3.410 1.00 0.00 C ATOM 241 CG ARG A 16 -3.666 -10.964 4.039 1.00 0.00 C ATOM 242 CD ARG A 16 -3.816 -10.976 5.568 1.00 0.00 C ATOM 243 NE ARG A 16 -3.273 -12.224 6.133 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.123 -12.537 7.427 1.00 0.00 C ATOM 245 NH1 ARG A 16 -3.527 -11.727 8.395 1.00 0.00 N ATOM 246 NH2 ARG A 16 -2.548 -13.685 7.750 1.00 0.00 N ATOM 0 H ARG A 16 -2.081 -10.150 1.936 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.823 -10.420 1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.280 -8.870 3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.982 -9.273 3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.304 -11.737 3.611 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.639 -11.218 3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.295 -10.120 5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.868 -10.876 5.836 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.977 -12.932 5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.967 -10.836 8.164 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.398 -11.995 9.371 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.226 -14.318 7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.427 -13.937 8.731 1.00 0.00 H new ATOM 260 N ALA A 17 -3.860 -7.243 1.342 1.00 0.00 N ATOM 261 CA ALA A 17 -4.278 -5.937 0.836 1.00 0.00 C ATOM 262 C ALA A 17 -4.609 -5.979 -0.656 1.00 0.00 C ATOM 263 O ALA A 17 -5.668 -5.499 -1.054 1.00 0.00 O ATOM 264 CB ALA A 17 -3.196 -4.885 1.119 1.00 0.00 C ATOM 0 H ALA A 17 -2.911 -7.259 1.715 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.191 -5.659 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.521 -3.917 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.030 -4.814 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.268 -5.176 0.627 1.00 0.00 H new ATOM 270 N LYS A 18 -3.734 -6.535 -1.499 1.00 0.00 N ATOM 271 CA LYS A 18 -4.017 -6.591 -2.932 1.00 0.00 C ATOM 272 C LYS A 18 -5.233 -7.469 -3.214 1.00 0.00 C ATOM 273 O LYS A 18 -5.996 -7.151 -4.119 1.00 0.00 O ATOM 274 CB LYS A 18 -2.796 -7.054 -3.737 1.00 0.00 C ATOM 275 CG LYS A 18 -1.635 -6.044 -3.656 1.00 0.00 C ATOM 276 CD LYS A 18 -0.728 -6.091 -4.890 1.00 0.00 C ATOM 277 CE LYS A 18 -0.164 -7.490 -5.173 1.00 0.00 C ATOM 278 NZ LYS A 18 0.599 -7.519 -6.435 1.00 0.00 N ATOM 0 H LYS A 18 -2.842 -6.944 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.250 -5.578 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.461 -8.022 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.081 -7.196 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.040 -5.038 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.041 -6.249 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.290 -5.750 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.099 -5.394 -4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.481 -7.797 -4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.981 -8.210 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.966 -8.478 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.023 -7.249 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.393 -6.850 -6.376 1.00 0.00 H new ATOM 292 N ALA A 19 -5.469 -8.518 -2.427 1.00 0.00 N ATOM 293 CA ALA A 19 -6.645 -9.360 -2.557 1.00 0.00 C ATOM 294 C ALA A 19 -7.916 -8.578 -2.228 1.00 0.00 C ATOM 295 O ALA A 19 -8.971 -8.907 -2.774 1.00 0.00 O ATOM 296 CB ALA A 19 -6.523 -10.597 -1.658 1.00 0.00 C ATOM 0 H ALA A 19 -4.841 -8.805 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.712 -9.692 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.413 -11.216 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.643 -11.172 -1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.426 -10.283 -0.619 1.00 0.00 H new ATOM 302 N LEU A 20 -7.853 -7.550 -1.374 1.00 0.00 N ATOM 303 CA LEU A 20 -8.981 -6.641 -1.204 1.00 0.00 C ATOM 304 C LEU A 20 -9.141 -5.857 -2.505 1.00 0.00 C ATOM 305 O LEU A 20 -10.178 -5.970 -3.150 1.00 0.00 O ATOM 306 CB LEU A 20 -8.811 -5.707 0.010 1.00 0.00 C ATOM 307 CG LEU A 20 -10.048 -4.792 0.194 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.908 -5.201 1.386 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.623 -3.348 0.431 1.00 0.00 C ATOM 0 H LEU A 20 -7.040 -7.332 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.883 -7.216 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.659 -6.302 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.919 -5.094 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.625 -4.892 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.760 -4.527 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.265 -6.221 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.314 -5.148 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.508 -2.724 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.009 -3.292 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.048 -2.993 -0.424 1.00 0.00 H new ATOM 321 N LEU A 21 -8.116 -5.101 -2.911 1.00 0.00 N ATOM 322 CA LEU A 21 -8.206 -4.137 -4.007 1.00 0.00 C ATOM 323 C LEU A 21 -8.639 -4.809 -5.302 1.00 0.00 C ATOM 324 O LEU A 21 -9.501 -4.288 -6.000 1.00 0.00 O ATOM 325 CB LEU A 21 -6.860 -3.430 -4.236 1.00 0.00 C ATOM 326 CG LEU A 21 -6.347 -2.551 -3.084 1.00 0.00 C ATOM 327 CD1 LEU A 21 -5.058 -1.861 -3.533 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.335 -1.466 -2.652 1.00 0.00 C ATOM 0 H LEU A 21 -7.192 -5.143 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.956 -3.400 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.107 -4.189 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.947 -2.809 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.193 -3.211 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.681 -1.233 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.311 -2.614 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.262 -1.244 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.904 -0.886 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.543 -0.807 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.262 -1.931 -2.317 1.00 0.00 H new ATOM 340 N SER A 22 -8.101 -5.992 -5.586 1.00 0.00 N ATOM 341 CA SER A 22 -8.401 -6.727 -6.802 1.00 0.00 C ATOM 342 C SER A 22 -9.854 -7.210 -6.798 1.00 0.00 C ATOM 343 O SER A 22 -10.451 -7.368 -7.860 1.00 0.00 O ATOM 344 CB SER A 22 -7.387 -7.869 -6.946 1.00 0.00 C ATOM 345 OG SER A 22 -7.259 -8.286 -8.290 1.00 0.00 O ATOM 0 H SER A 22 -7.440 -6.467 -4.971 1.00 0.00 H new ATOM 0 HA SER A 22 -8.306 -6.080 -7.674 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.416 -7.544 -6.572 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.699 -8.713 -6.331 1.00 0.00 H new ATOM 0 HG SER A 22 -6.604 -9.013 -8.346 1.00 0.00 H new ATOM 351 N SER A 23 -10.452 -7.418 -5.623 1.00 0.00 N ATOM 352 CA SER A 23 -11.879 -7.707 -5.529 1.00 0.00 C ATOM 353 C SER A 23 -12.715 -6.440 -5.734 1.00 0.00 C ATOM 354 O SER A 23 -13.837 -6.510 -6.245 1.00 0.00 O ATOM 355 CB SER A 23 -12.208 -8.371 -4.190 1.00 0.00 C ATOM 356 OG SER A 23 -11.298 -9.430 -3.947 1.00 0.00 O ATOM 0 H SER A 23 -9.968 -7.391 -4.726 1.00 0.00 H new ATOM 0 HA SER A 23 -12.135 -8.404 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.151 -7.638 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.229 -8.752 -4.203 1.00 0.00 H new ATOM 0 HG SER A 23 -10.604 -9.128 -3.325 1.00 0.00 H new ATOM 362 N LYS A 24 -12.189 -5.263 -5.378 1.00 0.00 N ATOM 363 CA LYS A 24 -12.823 -3.991 -5.653 1.00 0.00 C ATOM 364 C LYS A 24 -12.613 -3.611 -7.128 1.00 0.00 C ATOM 365 O LYS A 24 -13.382 -2.804 -7.640 1.00 0.00 O ATOM 366 CB LYS A 24 -12.265 -2.953 -4.664 1.00 0.00 C ATOM 367 CG LYS A 24 -12.405 -3.318 -3.173 1.00 0.00 C ATOM 368 CD LYS A 24 -13.846 -3.441 -2.669 1.00 0.00 C ATOM 369 CE LYS A 24 -13.809 -3.949 -1.222 1.00 0.00 C ATOM 370 NZ LYS A 24 -15.151 -3.980 -0.617 1.00 0.00 N ATOM 0 H LYS A 24 -11.300 -5.177 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.902 -4.041 -5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.209 -2.797 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.771 -2.003 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.892 -4.264 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.892 -2.561 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.350 -2.476 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.411 -4.129 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.377 -4.950 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.158 -3.307 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.083 -4.329 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.553 -3.021 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.766 -4.612 -1.168 1.00 0.00 H new ATOM 384 N GLY A 25 -11.656 -4.227 -7.831 1.00 0.00 N ATOM 385 CA GLY A 25 -11.424 -4.036 -9.254 1.00 0.00 C ATOM 386 C GLY A 25 -10.965 -2.611 -9.517 1.00 0.00 C ATOM 387 O GLY A 25 -11.486 -1.948 -10.417 1.00 0.00 O ATOM 0 H GLY A 25 -11.007 -4.890 -7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.671 -4.741 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.338 -4.242 -9.811 1.00 0.00 H new ATOM 391 N VAL A 26 -10.057 -2.104 -8.683 1.00 0.00 N ATOM 392 CA VAL A 26 -9.622 -0.709 -8.748 1.00 0.00 C ATOM 393 C VAL A 26 -8.276 -0.573 -9.456 1.00 0.00 C ATOM 394 O VAL A 26 -7.460 -1.496 -9.469 1.00 0.00 O ATOM 395 CB VAL A 26 -9.583 -0.078 -7.344 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.918 -0.242 -6.608 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.414 -0.594 -6.498 1.00 0.00 C ATOM 0 H VAL A 26 -9.604 -2.646 -7.947 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.355 -0.162 -9.341 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.416 0.989 -7.494 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.848 0.217 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.710 0.243 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.146 -1.302 -6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.435 -0.116 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.501 -1.674 -6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.473 -0.360 -6.996 1.00 0.00 H new ATOM 407 N SER A 27 -8.016 0.611 -9.987 1.00 0.00 N ATOM 408 CA SER A 27 -6.725 1.021 -10.495 1.00 0.00 C ATOM 409 C SER A 27 -5.903 1.501 -9.299 1.00 0.00 C ATOM 410 O SER A 27 -6.282 2.462 -8.631 1.00 0.00 O ATOM 411 CB SER A 27 -6.898 2.121 -11.556 1.00 0.00 C ATOM 412 OG SER A 27 -8.208 2.672 -11.596 1.00 0.00 O ATOM 0 H SER A 27 -8.727 1.337 -10.077 1.00 0.00 H new ATOM 0 HA SER A 27 -6.208 0.196 -10.986 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.183 2.920 -11.359 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.656 1.710 -12.536 1.00 0.00 H new ATOM 0 HG SER A 27 -8.251 3.365 -12.288 1.00 0.00 H new ATOM 418 N PHE A 28 -4.791 0.829 -9.017 1.00 0.00 N ATOM 419 CA PHE A 28 -3.774 1.270 -8.074 1.00 0.00 C ATOM 420 C PHE A 28 -2.421 1.063 -8.766 1.00 0.00 C ATOM 421 O PHE A 28 -2.317 0.265 -9.706 1.00 0.00 O ATOM 422 CB PHE A 28 -3.844 0.467 -6.770 1.00 0.00 C ATOM 423 CG PHE A 28 -3.728 -1.041 -6.920 1.00 0.00 C ATOM 424 CD1 PHE A 28 -4.876 -1.823 -7.143 1.00 0.00 C ATOM 425 CD2 PHE A 28 -2.474 -1.672 -6.840 1.00 0.00 C ATOM 426 CE1 PHE A 28 -4.784 -3.219 -7.253 1.00 0.00 C ATOM 427 CE2 PHE A 28 -2.378 -3.069 -6.971 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.532 -3.847 -7.166 1.00 0.00 C ATOM 0 H PHE A 28 -4.568 -0.066 -9.453 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.924 2.315 -7.804 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.048 0.811 -6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.789 0.693 -6.275 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.840 -1.343 -7.231 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.583 -1.083 -6.678 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.676 -3.809 -7.404 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.411 -3.547 -6.921 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.456 -4.921 -7.248 1.00 0.00 H new ATOM 438 N GLN A 29 -1.366 1.688 -8.255 1.00 0.00 N ATOM 439 CA GLN A 29 0.003 1.481 -8.706 1.00 0.00 C ATOM 440 C GLN A 29 0.635 0.608 -7.635 1.00 0.00 C ATOM 441 O GLN A 29 0.363 0.784 -6.449 1.00 0.00 O ATOM 442 CB GLN A 29 0.732 2.830 -8.834 1.00 0.00 C ATOM 443 CG GLN A 29 2.265 2.820 -8.762 1.00 0.00 C ATOM 444 CD GLN A 29 2.848 2.265 -10.061 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.618 1.115 -10.435 1.00 0.00 O ATOM 446 NE2 GLN A 29 3.612 3.059 -10.789 1.00 0.00 N ATOM 0 H GLN A 29 -1.442 2.368 -7.498 1.00 0.00 H new ATOM 0 HA GLN A 29 0.056 1.012 -9.689 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.443 3.279 -9.785 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.363 3.487 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.635 3.831 -8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.593 2.213 -7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.801 4.012 -10.477 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.013 2.720 -11.663 1.00 0.00 H new ATOM 455 N GLU A 30 1.511 -0.303 -8.030 1.00 0.00 N ATOM 456 CA GLU A 30 2.253 -1.157 -7.118 1.00 0.00 C ATOM 457 C GLU A 30 3.736 -0.842 -7.249 1.00 0.00 C ATOM 458 O GLU A 30 4.214 -0.505 -8.334 1.00 0.00 O ATOM 459 CB GLU A 30 1.927 -2.638 -7.347 1.00 0.00 C ATOM 460 CG GLU A 30 2.019 -3.047 -8.822 1.00 0.00 C ATOM 461 CD GLU A 30 2.105 -4.557 -8.984 1.00 0.00 C ATOM 462 OE1 GLU A 30 3.166 -5.131 -8.640 1.00 0.00 O ATOM 463 OE2 GLU A 30 1.130 -5.180 -9.470 1.00 0.00 O ATOM 0 H GLU A 30 1.730 -0.472 -9.012 1.00 0.00 H new ATOM 0 HA GLU A 30 1.954 -0.953 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.613 -3.251 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.922 -2.845 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.147 -2.673 -9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.895 -2.582 -9.274 1.00 0.00 H new ATOM 470 N LEU A 31 4.472 -0.955 -6.150 1.00 0.00 N ATOM 471 CA LEU A 31 5.884 -0.627 -6.061 1.00 0.00 C ATOM 472 C LEU A 31 6.591 -1.805 -5.391 1.00 0.00 C ATOM 473 O LEU A 31 6.070 -2.342 -4.411 1.00 0.00 O ATOM 474 CB LEU A 31 6.081 0.667 -5.270 1.00 0.00 C ATOM 475 CG LEU A 31 5.533 1.891 -6.030 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.375 2.532 -5.285 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.619 2.937 -6.242 1.00 0.00 C ATOM 0 H LEU A 31 4.086 -1.289 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 31 6.306 -0.460 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.580 0.584 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.142 0.811 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 31 5.182 1.530 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.012 3.392 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.570 1.807 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.711 2.858 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.204 3.789 -6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.998 3.269 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.434 2.503 -6.822 1.00 0.00 H new ATOM 489 N PRO A 32 7.733 -2.265 -5.907 1.00 0.00 N ATOM 490 CA PRO A 32 8.450 -3.398 -5.338 1.00 0.00 C ATOM 491 C PRO A 32 9.567 -2.977 -4.368 1.00 0.00 C ATOM 492 O PRO A 32 10.030 -1.835 -4.381 1.00 0.00 O ATOM 493 CB PRO A 32 9.074 -4.059 -6.570 1.00 0.00 C ATOM 494 CG PRO A 32 9.428 -2.857 -7.452 1.00 0.00 C ATOM 495 CD PRO A 32 8.261 -1.912 -7.216 1.00 0.00 C ATOM 0 HA PRO A 32 7.788 -4.038 -4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.956 -4.646 -6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.376 -4.733 -7.065 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.378 -2.408 -7.161 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.516 -3.137 -8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.587 -0.872 -7.240 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.501 -2.026 -7.989 1.00 0.00 H new ATOM 503 N ILE A 33 10.023 -3.929 -3.549 1.00 0.00 N ATOM 504 CA ILE A 33 11.227 -3.863 -2.717 1.00 0.00 C ATOM 505 C ILE A 33 12.020 -5.159 -2.919 1.00 0.00 C ATOM 506 O ILE A 33 12.571 -5.757 -1.988 1.00 0.00 O ATOM 507 CB ILE A 33 11.061 -3.442 -1.243 1.00 0.00 C ATOM 508 CG1 ILE A 33 9.855 -2.532 -0.996 1.00 0.00 C ATOM 509 CG2 ILE A 33 12.344 -2.676 -0.829 1.00 0.00 C ATOM 510 CD1 ILE A 33 9.550 -2.410 0.487 1.00 0.00 C ATOM 0 H ILE A 33 9.533 -4.817 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 33 11.799 -3.006 -3.073 1.00 0.00 H new ATOM 0 HB ILE A 33 10.898 -4.347 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.051 -1.544 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.984 -2.930 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.261 -2.362 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 33 13.210 -3.328 -0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.465 -1.798 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.689 -1.757 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.329 -3.396 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.413 -1.989 1.003 1.00 0.00 H new ATOM 522 N ASP A 34 12.016 -5.624 -4.163 1.00 0.00 N ATOM 523 CA ASP A 34 12.758 -6.753 -4.710 1.00 0.00 C ATOM 524 C ASP A 34 14.262 -6.441 -4.762 1.00 0.00 C ATOM 525 O ASP A 34 14.871 -6.406 -5.828 1.00 0.00 O ATOM 526 CB ASP A 34 12.166 -7.085 -6.084 1.00 0.00 C ATOM 527 CG ASP A 34 12.772 -8.355 -6.668 1.00 0.00 C ATOM 528 OD1 ASP A 34 12.651 -9.422 -6.032 1.00 0.00 O ATOM 529 OD2 ASP A 34 13.303 -8.323 -7.805 1.00 0.00 O ATOM 0 H ASP A 34 11.441 -5.180 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 34 12.662 -7.630 -4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.086 -7.205 -5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.340 -6.252 -6.766 1.00 0.00 H new ATOM 534 N GLY A 35 14.866 -6.180 -3.599 1.00 0.00 N ATOM 535 CA GLY A 35 16.285 -5.889 -3.439 1.00 0.00 C ATOM 536 C GLY A 35 16.636 -4.466 -3.864 1.00 0.00 C ATOM 537 O GLY A 35 17.518 -4.280 -4.707 1.00 0.00 O ATOM 0 H GLY A 35 14.358 -6.166 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.568 -6.035 -2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.867 -6.596 -4.029 1.00 0.00 H new ATOM 541 N ASN A 36 15.936 -3.461 -3.327 1.00 0.00 N ATOM 542 CA ASN A 36 16.190 -2.058 -3.616 1.00 0.00 C ATOM 543 C ASN A 36 17.310 -1.497 -2.742 1.00 0.00 C ATOM 544 O ASN A 36 17.778 -2.134 -1.802 1.00 0.00 O ATOM 545 CB ASN A 36 14.943 -1.168 -3.403 1.00 0.00 C ATOM 546 CG ASN A 36 13.618 -1.622 -3.979 1.00 0.00 C ATOM 547 OD1 ASN A 36 13.519 -2.648 -4.638 1.00 0.00 O ATOM 548 ND2 ASN A 36 12.569 -0.859 -3.696 1.00 0.00 N ATOM 0 H ASN A 36 15.168 -3.608 -2.672 1.00 0.00 H new ATOM 0 HA ASN A 36 16.476 -2.033 -4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.809 -1.038 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.164 -0.185 -3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.642 -1.122 -4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.690 -0.010 -3.144 1.00 0.00 H new ATOM 555 N ALA A 37 17.587 -0.212 -2.965 1.00 0.00 N ATOM 556 CA ALA A 37 18.500 0.634 -2.220 1.00 0.00 C ATOM 557 C ALA A 37 18.152 2.076 -2.573 1.00 0.00 C ATOM 558 O ALA A 37 17.805 2.837 -1.669 1.00 0.00 O ATOM 559 CB ALA A 37 19.960 0.322 -2.565 1.00 0.00 C ATOM 0 H ALA A 37 17.142 0.296 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 37 18.395 0.459 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 37 20.617 0.974 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.177 -0.718 -2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.126 0.488 -3.629 1.00 0.00 H new ATOM 565 N ALA A 38 18.095 2.424 -3.865 1.00 0.00 N ATOM 566 CA ALA A 38 17.541 3.702 -4.303 1.00 0.00 C ATOM 567 C ALA A 38 16.097 3.795 -3.807 1.00 0.00 C ATOM 568 O ALA A 38 15.740 4.646 -2.995 1.00 0.00 O ATOM 569 CB ALA A 38 17.593 3.815 -5.834 1.00 0.00 C ATOM 0 H ALA A 38 18.429 1.832 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 38 18.129 4.522 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.176 4.774 -6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.628 3.745 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.012 3.007 -6.278 1.00 0.00 H new ATOM 575 N LYS A 39 15.266 2.819 -4.187 1.00 0.00 N ATOM 576 CA LYS A 39 13.860 2.834 -3.810 1.00 0.00 C ATOM 577 C LYS A 39 13.677 2.248 -2.413 1.00 0.00 C ATOM 578 O LYS A 39 12.571 1.844 -2.063 1.00 0.00 O ATOM 579 CB LYS A 39 13.033 2.121 -4.891 1.00 0.00 C ATOM 580 CG LYS A 39 13.028 2.900 -6.215 1.00 0.00 C ATOM 581 CD LYS A 39 11.779 2.587 -7.046 1.00 0.00 C ATOM 582 CE LYS A 39 10.544 3.233 -6.393 1.00 0.00 C ATOM 583 NZ LYS A 39 9.772 4.040 -7.356 1.00 0.00 N ATOM 0 H LYS A 39 15.546 2.017 -4.751 1.00 0.00 H new ATOM 0 HA LYS A 39 13.493 3.859 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.438 1.123 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.009 1.995 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.071 3.970 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.920 2.650 -6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.903 2.962 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.641 1.508 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.905 2.455 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.861 3.864 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.949 4.458 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.374 4.799 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.448 3.433 -8.136 1.00 0.00 H new ATOM 597 N ARG A 40 14.758 2.081 -1.646 1.00 0.00 N ATOM 598 CA ARG A 40 14.685 1.763 -0.228 1.00 0.00 C ATOM 599 C ARG A 40 14.557 3.087 0.511 1.00 0.00 C ATOM 600 O ARG A 40 13.559 3.279 1.206 1.00 0.00 O ATOM 601 CB ARG A 40 15.891 0.949 0.277 1.00 0.00 C ATOM 602 CG ARG A 40 15.646 0.531 1.734 1.00 0.00 C ATOM 603 CD ARG A 40 16.888 -0.059 2.406 1.00 0.00 C ATOM 604 NE ARG A 40 16.713 -0.119 3.865 1.00 0.00 N ATOM 605 CZ ARG A 40 15.841 -0.873 4.546 1.00 0.00 C ATOM 606 NH1 ARG A 40 15.116 -1.809 3.941 1.00 0.00 N ATOM 607 NH2 ARG A 40 15.676 -0.649 5.840 1.00 0.00 N ATOM 0 H ARG A 40 15.711 2.164 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 40 13.825 1.120 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.036 0.067 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.802 1.544 0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.310 1.398 2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.840 -0.203 1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.077 -1.059 2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.761 0.548 2.164 1.00 0.00 H new ATOM 0 HE ARG A 40 17.324 0.480 4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.218 -1.964 2.938 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.458 -2.372 4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.209 0.088 6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.016 -1.213 6.375 1.00 0.00 H new ATOM 621 N GLU A 41 15.555 3.969 0.372 1.00 0.00 N ATOM 622 CA GLU A 41 15.658 5.190 1.170 1.00 0.00 C ATOM 623 C GLU A 41 14.449 6.100 0.953 1.00 0.00 C ATOM 624 O GLU A 41 13.982 6.738 1.897 1.00 0.00 O ATOM 625 CB GLU A 41 16.991 5.926 0.924 1.00 0.00 C ATOM 626 CG GLU A 41 17.250 6.413 -0.512 1.00 0.00 C ATOM 627 CD GLU A 41 18.477 7.329 -0.576 1.00 0.00 C ATOM 628 OE1 GLU A 41 18.347 8.537 -0.277 1.00 0.00 O ATOM 629 OE2 GLU A 41 19.598 6.861 -0.892 1.00 0.00 O ATOM 0 H GLU A 41 16.314 3.853 -0.300 1.00 0.00 H new ATOM 0 HA GLU A 41 15.654 4.896 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.033 6.788 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.806 5.262 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.399 5.555 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.375 6.948 -0.881 1.00 0.00 H new ATOM 636 N GLU A 42 13.879 6.100 -0.255 1.00 0.00 N ATOM 637 CA GLU A 42 12.702 6.899 -0.557 1.00 0.00 C ATOM 638 C GLU A 42 11.540 6.540 0.377 1.00 0.00 C ATOM 639 O GLU A 42 10.817 7.415 0.849 1.00 0.00 O ATOM 640 CB GLU A 42 12.315 6.702 -2.029 1.00 0.00 C ATOM 641 CG GLU A 42 11.277 7.730 -2.509 1.00 0.00 C ATOM 642 CD GLU A 42 11.837 9.142 -2.702 1.00 0.00 C ATOM 643 OE1 GLU A 42 12.244 9.797 -1.717 1.00 0.00 O ATOM 644 OE2 GLU A 42 11.843 9.624 -3.858 1.00 0.00 O ATOM 0 H GLU A 42 14.222 5.549 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 42 12.934 7.951 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.208 6.776 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.916 5.697 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.852 7.387 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.461 7.770 -1.788 1.00 0.00 H new ATOM 651 N MET A 43 11.353 5.252 0.679 1.00 0.00 N ATOM 652 CA MET A 43 10.287 4.804 1.538 1.00 0.00 C ATOM 653 C MET A 43 10.502 5.202 2.996 1.00 0.00 C ATOM 654 O MET A 43 9.543 5.211 3.764 1.00 0.00 O ATOM 655 CB MET A 43 10.007 3.307 1.393 1.00 0.00 C ATOM 656 CG MET A 43 8.575 2.958 1.827 1.00 0.00 C ATOM 657 SD MET A 43 8.444 1.688 3.108 1.00 0.00 S ATOM 658 CE MET A 43 8.870 0.247 2.120 1.00 0.00 C ATOM 0 H MET A 43 11.945 4.500 0.327 1.00 0.00 H new ATOM 0 HA MET A 43 9.392 5.326 1.199 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.158 3.006 0.356 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.719 2.742 1.995 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.091 3.866 2.187 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.018 2.626 0.951 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.419 -0.642 2.560 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.496 0.379 1.105 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.953 0.130 2.095 1.00 0.00 H new ATOM 668 N ILE A 44 11.718 5.560 3.408 1.00 0.00 N ATOM 669 CA ILE A 44 11.922 6.173 4.718 1.00 0.00 C ATOM 670 C ILE A 44 11.250 7.538 4.648 1.00 0.00 C ATOM 671 O ILE A 44 10.347 7.827 5.425 1.00 0.00 O ATOM 672 CB ILE A 44 13.413 6.307 5.101 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.117 4.937 5.087 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.513 6.947 6.497 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.635 5.019 5.246 1.00 0.00 C ATOM 0 H ILE A 44 12.569 5.437 2.859 1.00 0.00 H new ATOM 0 HA ILE A 44 11.492 5.542 5.496 1.00 0.00 H new ATOM 0 HB ILE A 44 13.913 6.939 4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.710 4.322 5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.887 4.431 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.562 7.046 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.047 7.932 6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.001 6.316 7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.058 4.014 5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.055 5.606 4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.876 5.495 6.196 1.00 0.00 H new ATOM 687 N LYS A 45 11.655 8.358 3.682 1.00 0.00 N ATOM 688 CA LYS A 45 11.191 9.731 3.543 1.00 0.00 C ATOM 689 C LYS A 45 9.682 9.813 3.334 1.00 0.00 C ATOM 690 O LYS A 45 9.075 10.844 3.633 1.00 0.00 O ATOM 691 CB LYS A 45 11.949 10.384 2.382 1.00 0.00 C ATOM 692 CG LYS A 45 13.459 10.437 2.653 1.00 0.00 C ATOM 693 CD LYS A 45 14.230 10.872 1.410 1.00 0.00 C ATOM 694 CE LYS A 45 15.720 10.887 1.746 1.00 0.00 C ATOM 695 NZ LYS A 45 16.548 11.321 0.608 1.00 0.00 N ATOM 0 H LYS A 45 12.325 8.081 2.964 1.00 0.00 H new ATOM 0 HA LYS A 45 11.395 10.268 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.763 9.825 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.572 11.394 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.660 11.130 3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.808 9.456 2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.035 10.188 0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.904 11.861 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.892 11.553 2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.029 9.889 2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.550 11.315 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.406 10.672 -0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.273 12.284 0.326 1.00 0.00 H new ATOM 709 N ARG A 46 9.067 8.761 2.797 1.00 0.00 N ATOM 710 CA ARG A 46 7.645 8.674 2.548 1.00 0.00 C ATOM 711 C ARG A 46 6.878 7.975 3.677 1.00 0.00 C ATOM 712 O ARG A 46 5.730 8.361 3.884 1.00 0.00 O ATOM 713 CB ARG A 46 7.475 7.931 1.221 1.00 0.00 C ATOM 714 CG ARG A 46 7.674 8.758 -0.058 1.00 0.00 C ATOM 715 CD ARG A 46 6.573 9.807 -0.287 1.00 0.00 C ATOM 716 NE ARG A 46 6.510 10.210 -1.703 1.00 0.00 N ATOM 717 CZ ARG A 46 5.540 10.920 -2.290 1.00 0.00 C ATOM 718 NH1 ARG A 46 4.639 11.585 -1.576 1.00 0.00 N ATOM 719 NH2 ARG A 46 5.457 10.941 -3.613 1.00 0.00 N ATOM 0 H ARG A 46 9.571 7.920 2.516 1.00 0.00 H new ATOM 0 HA ARG A 46 7.222 9.677 2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.180 7.100 1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.474 7.501 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.640 9.261 -0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.708 8.085 -0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.610 9.401 0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.765 10.681 0.335 1.00 0.00 H new ATOM 0 HE ARG A 46 7.286 9.917 -2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.677 11.561 -0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.909 12.119 -2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.129 10.419 -4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.721 11.480 -4.069 1.00 0.00 H new ATOM 733 N SER A 47 7.426 6.974 4.384 1.00 0.00 N ATOM 734 CA SER A 47 6.650 6.166 5.342 1.00 0.00 C ATOM 735 C SER A 47 7.216 6.136 6.769 1.00 0.00 C ATOM 736 O SER A 47 6.508 5.773 7.711 1.00 0.00 O ATOM 737 CB SER A 47 6.547 4.714 4.866 1.00 0.00 C ATOM 738 OG SER A 47 7.711 3.959 5.142 1.00 0.00 O ATOM 0 H SER A 47 8.407 6.703 4.311 1.00 0.00 H new ATOM 0 HA SER A 47 5.678 6.658 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.691 4.240 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.358 4.702 3.793 1.00 0.00 H new ATOM 0 HG SER A 47 8.389 4.141 4.458 1.00 0.00 H new ATOM 744 N GLY A 48 8.523 6.363 6.904 1.00 0.00 N ATOM 745 CA GLY A 48 9.326 6.175 8.101 1.00 0.00 C ATOM 746 C GLY A 48 9.678 4.715 8.407 1.00 0.00 C ATOM 747 O GLY A 48 10.543 4.480 9.251 1.00 0.00 O ATOM 0 H GLY A 48 9.082 6.707 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.250 6.744 7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.789 6.592 8.953 1.00 0.00 H new ATOM 751 N ARG A 49 9.087 3.728 7.720 1.00 0.00 N ATOM 752 CA ARG A 49 9.186 2.318 8.117 1.00 0.00 C ATOM 753 C ARG A 49 10.286 1.498 7.454 1.00 0.00 C ATOM 754 O ARG A 49 11.169 1.027 8.165 1.00 0.00 O ATOM 755 CB ARG A 49 7.848 1.606 7.919 1.00 0.00 C ATOM 756 CG ARG A 49 6.683 2.196 8.725 1.00 0.00 C ATOM 757 CD ARG A 49 5.756 1.097 9.254 1.00 0.00 C ATOM 758 NE ARG A 49 6.390 0.309 10.330 1.00 0.00 N ATOM 759 CZ ARG A 49 5.741 -0.479 11.195 1.00 0.00 C ATOM 760 NH1 ARG A 49 4.438 -0.692 11.067 1.00 0.00 N ATOM 761 NH2 ARG A 49 6.402 -1.063 12.188 1.00 0.00 N ATOM 0 H ARG A 49 8.531 3.883 6.879 1.00 0.00 H new ATOM 0 HA ARG A 49 9.464 2.373 9.169 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.590 1.633 6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.966 0.557 8.191 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.074 2.777 9.560 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.115 2.882 8.097 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.837 1.547 9.628 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.476 0.434 8.436 1.00 0.00 H new ATOM 0 HE ARG A 49 7.404 0.370 10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.922 -0.253 10.304 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.952 -1.294 11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.405 -0.911 12.292 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.906 -1.664 12.847 1.00 0.00 H new ATOM 775 N THR A 50 10.207 1.319 6.132 1.00 0.00 N ATOM 776 CA THR A 50 10.934 0.428 5.219 1.00 0.00 C ATOM 777 C THR A 50 10.268 -0.957 5.124 1.00 0.00 C ATOM 778 O THR A 50 10.715 -1.803 4.350 1.00 0.00 O ATOM 779 CB THR A 50 12.454 0.345 5.470 1.00 0.00 C ATOM 780 OG1 THR A 50 12.813 -0.337 6.659 1.00 0.00 O ATOM 781 CG2 THR A 50 13.101 1.731 5.478 1.00 0.00 C ATOM 0 H THR A 50 9.536 1.875 5.603 1.00 0.00 H new ATOM 0 HA THR A 50 10.856 0.898 4.239 1.00 0.00 H new ATOM 0 HB THR A 50 12.833 -0.242 4.634 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.242 -0.034 7.395 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.172 1.632 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.938 2.214 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.655 2.336 6.267 1.00 0.00 H new ATOM 789 N THR A 51 9.159 -1.180 5.836 1.00 0.00 N ATOM 790 CA THR A 51 8.459 -2.459 5.937 1.00 0.00 C ATOM 791 C THR A 51 7.113 -2.327 5.216 1.00 0.00 C ATOM 792 O THR A 51 6.665 -1.202 4.999 1.00 0.00 O ATOM 793 CB THR A 51 8.422 -2.864 7.420 1.00 0.00 C ATOM 794 OG1 THR A 51 7.720 -1.929 8.214 1.00 0.00 O ATOM 795 CG2 THR A 51 9.858 -2.879 7.961 1.00 0.00 C ATOM 0 H THR A 51 8.708 -0.443 6.379 1.00 0.00 H new ATOM 0 HA THR A 51 8.960 -3.286 5.434 1.00 0.00 H new ATOM 0 HB THR A 51 7.930 -3.835 7.473 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.720 -2.227 9.148 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.848 -3.165 9.013 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.452 -3.597 7.396 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.296 -1.886 7.859 1.00 0.00 H new ATOM 803 N VAL A 52 6.468 -3.439 4.850 1.00 0.00 N ATOM 804 CA VAL A 52 5.308 -3.497 3.943 1.00 0.00 C ATOM 805 C VAL A 52 4.124 -4.307 4.499 1.00 0.00 C ATOM 806 O VAL A 52 4.325 -5.031 5.474 1.00 0.00 O ATOM 807 CB VAL A 52 5.791 -4.101 2.611 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.416 -3.019 1.733 1.00 0.00 C ATOM 809 CG2 VAL A 52 6.729 -5.299 2.781 1.00 0.00 C ATOM 0 H VAL A 52 6.747 -4.360 5.188 1.00 0.00 H new ATOM 0 HA VAL A 52 4.926 -2.484 3.814 1.00 0.00 H new ATOM 0 HB VAL A 52 4.908 -4.498 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.753 -3.461 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.676 -2.247 1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.267 -2.576 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.027 -5.670 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.615 -4.992 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.214 -6.090 3.327 1.00 0.00 H new ATOM 819 N PRO A 53 2.902 -4.238 3.919 1.00 0.00 N ATOM 820 CA PRO A 53 2.481 -3.410 2.786 1.00 0.00 C ATOM 821 C PRO A 53 2.466 -1.940 3.173 1.00 0.00 C ATOM 822 O PRO A 53 2.488 -1.588 4.353 1.00 0.00 O ATOM 823 CB PRO A 53 1.081 -3.883 2.390 1.00 0.00 C ATOM 824 CG PRO A 53 0.546 -4.486 3.679 1.00 0.00 C ATOM 825 CD PRO A 53 1.791 -5.066 4.342 1.00 0.00 C ATOM 0 HA PRO A 53 3.174 -3.511 1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.460 -3.058 2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.116 -4.617 1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.070 -3.733 4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.200 -5.256 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.692 -5.059 5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.943 -6.103 4.043 1.00 0.00 H new ATOM 833 N GLN A 54 2.435 -1.085 2.159 1.00 0.00 N ATOM 834 CA GLN A 54 2.656 0.335 2.313 1.00 0.00 C ATOM 835 C GLN A 54 1.780 1.031 1.300 1.00 0.00 C ATOM 836 O GLN A 54 2.200 1.283 0.174 1.00 0.00 O ATOM 837 CB GLN A 54 4.140 0.562 2.036 1.00 0.00 C ATOM 838 CG GLN A 54 5.027 0.412 3.250 1.00 0.00 C ATOM 839 CD GLN A 54 5.127 1.662 4.089 1.00 0.00 C ATOM 840 OE1 GLN A 54 4.671 2.733 3.716 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.739 1.537 5.245 1.00 0.00 N ATOM 0 H GLN A 54 2.253 -1.369 1.196 1.00 0.00 H new ATOM 0 HA GLN A 54 2.410 0.720 3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.467 -0.143 1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.272 1.563 1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.646 -0.400 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.026 0.123 2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.110 0.631 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.843 2.346 5.857 1.00 0.00 H new ATOM 850 N ILE A 55 0.532 1.240 1.682 1.00 0.00 N ATOM 851 CA ILE A 55 -0.438 1.953 0.871 1.00 0.00 C ATOM 852 C ILE A 55 -0.182 3.441 1.063 1.00 0.00 C ATOM 853 O ILE A 55 0.089 3.905 2.176 1.00 0.00 O ATOM 854 CB ILE A 55 -1.916 1.608 1.187 1.00 0.00 C ATOM 855 CG1 ILE A 55 -2.172 0.690 2.397 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.632 1.090 -0.070 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.768 -0.791 2.272 1.00 0.00 C ATOM 0 H ILE A 55 0.160 0.915 2.575 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.302 1.645 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.346 2.559 1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.645 1.110 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.237 0.729 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.668 0.853 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.607 1.856 -0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.130 0.192 -0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.007 -1.313 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.313 -1.248 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.697 -0.861 2.082 1.00 0.00 H new ATOM 869 N PHE A 56 -0.332 4.173 -0.028 1.00 0.00 N ATOM 870 CA PHE A 56 -0.062 5.582 -0.172 1.00 0.00 C ATOM 871 C PHE A 56 -1.233 6.154 -0.979 1.00 0.00 C ATOM 872 O PHE A 56 -1.163 6.204 -2.207 1.00 0.00 O ATOM 873 CB PHE A 56 1.277 5.720 -0.917 1.00 0.00 C ATOM 874 CG PHE A 56 2.468 5.751 -0.002 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.835 6.973 0.571 1.00 0.00 C ATOM 876 CD2 PHE A 56 3.198 4.587 0.288 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.884 7.032 1.489 1.00 0.00 C ATOM 878 CE2 PHE A 56 4.256 4.644 1.211 1.00 0.00 C ATOM 879 CZ PHE A 56 4.559 5.858 1.855 1.00 0.00 C ATOM 0 H PHE A 56 -0.671 3.761 -0.897 1.00 0.00 H new ATOM 0 HA PHE A 56 0.022 6.116 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.384 4.888 -1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.261 6.633 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.304 7.874 0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.948 3.654 -0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.176 7.980 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.835 3.758 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.310 5.886 2.630 1.00 0.00 H new ATOM 889 N ILE A 57 -2.340 6.514 -0.327 1.00 0.00 N ATOM 890 CA ILE A 57 -3.525 7.050 -1.008 1.00 0.00 C ATOM 891 C ILE A 57 -3.339 8.560 -0.971 1.00 0.00 C ATOM 892 O ILE A 57 -2.983 9.093 0.077 1.00 0.00 O ATOM 893 CB ILE A 57 -4.828 6.577 -0.337 1.00 0.00 C ATOM 894 CG1 ILE A 57 -4.916 5.032 -0.309 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.050 7.177 -1.047 1.00 0.00 C ATOM 896 CD1 ILE A 57 -6.024 4.517 0.611 1.00 0.00 C ATOM 0 H ILE A 57 -2.443 6.443 0.685 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.618 6.695 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.820 6.929 0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.090 4.664 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.960 4.624 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.961 6.831 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.002 8.265 -0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.056 6.862 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.037 3.427 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.839 4.858 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.987 4.898 0.270 1.00 0.00 H new ATOM 908 N ASP A 58 -3.523 9.263 -2.087 1.00 0.00 N ATOM 909 CA ASP A 58 -3.144 10.668 -2.252 1.00 0.00 C ATOM 910 C ASP A 58 -1.679 10.893 -1.839 1.00 0.00 C ATOM 911 O ASP A 58 -1.289 11.988 -1.428 1.00 0.00 O ATOM 912 CB ASP A 58 -4.059 11.673 -1.540 1.00 0.00 C ATOM 913 CG ASP A 58 -5.565 11.507 -1.684 1.00 0.00 C ATOM 914 OD1 ASP A 58 -6.128 12.118 -2.624 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.191 10.893 -0.794 1.00 0.00 O ATOM 0 H ASP A 58 -3.950 8.863 -2.923 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.266 10.867 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.822 11.643 -0.477 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.799 12.670 -1.897 1.00 0.00 H new ATOM 920 N ALA A 59 -0.865 9.837 -1.900 1.00 0.00 N ATOM 921 CA ALA A 59 0.487 9.748 -1.370 1.00 0.00 C ATOM 922 C ALA A 59 0.625 9.996 0.143 1.00 0.00 C ATOM 923 O ALA A 59 1.747 10.162 0.620 1.00 0.00 O ATOM 924 CB ALA A 59 1.421 10.636 -2.178 1.00 0.00 C ATOM 0 H ALA A 59 -1.156 8.969 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 59 0.779 8.704 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.431 10.564 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.422 10.312 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.080 11.670 -2.120 1.00 0.00 H new ATOM 930 N GLN A 60 -0.468 10.013 0.908 1.00 0.00 N ATOM 931 CA GLN A 60 -0.403 10.000 2.363 1.00 0.00 C ATOM 932 C GLN A 60 -0.172 8.538 2.755 1.00 0.00 C ATOM 933 O GLN A 60 -0.864 7.641 2.262 1.00 0.00 O ATOM 934 CB GLN A 60 -1.656 10.659 2.980 1.00 0.00 C ATOM 935 CG GLN A 60 -2.884 9.772 3.256 1.00 0.00 C ATOM 936 CD GLN A 60 -4.193 10.509 3.009 1.00 0.00 C ATOM 937 OE1 GLN A 60 -4.875 10.982 3.918 1.00 0.00 O ATOM 938 NE2 GLN A 60 -4.582 10.622 1.756 1.00 0.00 N ATOM 0 H GLN A 60 -1.417 10.036 0.535 1.00 0.00 H new ATOM 0 HA GLN A 60 0.414 10.602 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.360 11.120 3.922 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.970 11.464 2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.841 8.888 2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.854 9.424 4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.012 10.228 1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.453 11.104 1.534 1.00 0.00 H new ATOM 947 N HIS A 61 0.840 8.261 3.574 1.00 0.00 N ATOM 948 CA HIS A 61 1.141 6.896 3.981 1.00 0.00 C ATOM 949 C HIS A 61 0.028 6.404 4.905 1.00 0.00 C ATOM 950 O HIS A 61 -0.119 6.913 6.016 1.00 0.00 O ATOM 951 CB HIS A 61 2.492 6.853 4.708 1.00 0.00 C ATOM 952 CG HIS A 61 2.772 5.516 5.346 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.334 5.344 6.594 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.438 4.286 4.846 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.324 4.027 6.864 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.794 3.365 5.816 1.00 0.00 N ATOM 0 H HIS A 61 1.464 8.966 3.967 1.00 0.00 H new ATOM 0 HA HIS A 61 1.201 6.251 3.104 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.287 7.086 4.000 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.511 7.627 5.475 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.987 4.076 3.887 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.683 3.572 7.775 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.675 2.354 5.749 1.00 0.00 H new ATOM 965 N ILE A 62 -0.736 5.411 4.467 1.00 0.00 N ATOM 966 CA ILE A 62 -1.860 4.851 5.200 1.00 0.00 C ATOM 967 C ILE A 62 -1.366 3.948 6.325 1.00 0.00 C ATOM 968 O ILE A 62 -1.708 4.178 7.486 1.00 0.00 O ATOM 969 CB ILE A 62 -2.771 4.121 4.192 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.202 5.061 3.048 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.000 3.475 4.851 1.00 0.00 C ATOM 972 CD1 ILE A 62 -3.917 6.333 3.520 1.00 0.00 C ATOM 0 H ILE A 62 -0.584 4.961 3.564 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.443 5.635 5.684 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.173 3.310 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.320 5.344 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.861 4.516 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.601 2.977 4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.674 2.744 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.598 4.245 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.187 6.940 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.819 6.061 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.254 6.903 4.171 1.00 0.00 H new ATOM 984 N GLY A 63 -0.599 2.908 5.995 1.00 0.00 N ATOM 985 CA GLY A 63 -0.241 1.852 6.926 1.00 0.00 C ATOM 986 C GLY A 63 -0.199 0.512 6.203 1.00 0.00 C ATOM 987 O GLY A 63 0.000 0.471 4.983 1.00 0.00 O ATOM 0 H GLY A 63 -0.208 2.779 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.730 2.064 7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.965 1.813 7.740 1.00 0.00 H new ATOM 991 N GLY A 64 -0.343 -0.566 6.973 1.00 0.00 N ATOM 992 CA GLY A 64 -0.318 -1.942 6.519 1.00 0.00 C ATOM 993 C GLY A 64 -1.715 -2.413 6.128 1.00 0.00 C ATOM 994 O GLY A 64 -2.646 -1.617 5.997 1.00 0.00 O ATOM 0 H GLY A 64 -0.487 -0.491 7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.353 -2.035 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.078 -2.582 7.307 1.00 0.00 H new ATOM 998 N TYR A 65 -1.871 -3.721 5.917 1.00 0.00 N ATOM 999 CA TYR A 65 -3.128 -4.304 5.481 1.00 0.00 C ATOM 1000 C TYR A 65 -4.226 -4.086 6.514 1.00 0.00 C ATOM 1001 O TYR A 65 -5.325 -3.722 6.122 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.981 -5.792 5.143 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.310 -6.510 5.061 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.247 -6.170 4.071 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.650 -7.450 6.044 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.488 -6.827 3.996 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.904 -8.073 6.009 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.824 -7.784 4.984 1.00 0.00 C ATOM 1009 OH TYR A 65 -8.010 -8.449 4.978 1.00 0.00 O ATOM 0 H TYR A 65 -1.123 -4.403 6.046 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.418 -3.789 4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.459 -5.894 4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.360 -6.272 5.900 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.011 -5.394 3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.947 -7.693 6.827 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.177 -6.604 3.194 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.168 -8.784 6.778 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.731 -7.830 4.737 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.962 -4.280 7.807 1.00 0.00 N ATOM 1020 CA ASP A 66 -5.005 -4.121 8.827 1.00 0.00 C ATOM 1021 C ASP A 66 -5.495 -2.669 8.865 1.00 0.00 C ATOM 1022 O ASP A 66 -6.674 -2.401 9.090 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.435 -4.512 10.190 1.00 0.00 C ATOM 1024 CG ASP A 66 -5.316 -4.077 11.357 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.272 -4.805 11.702 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -5.004 -3.056 12.012 1.00 0.00 O ATOM 0 H ASP A 66 -3.047 -4.544 8.172 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.849 -4.765 8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.304 -5.594 10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.446 -4.068 10.304 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.585 -1.725 8.620 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.866 -0.296 8.635 1.00 0.00 C ATOM 1033 C ASP A 67 -5.738 0.078 7.436 1.00 0.00 C ATOM 1034 O ASP A 67 -6.728 0.800 7.562 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.539 0.477 8.578 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.618 0.200 9.767 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -3.005 0.439 10.932 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.475 -0.266 9.554 1.00 0.00 O ATOM 0 H ASP A 67 -3.612 -1.941 8.401 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.401 -0.039 9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.017 0.219 7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.752 1.545 8.535 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.353 -0.429 6.267 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.038 -0.323 4.983 1.00 0.00 C ATOM 1045 C LEU A 68 -7.428 -0.940 5.039 1.00 0.00 C ATOM 1046 O LEU A 68 -8.404 -0.331 4.609 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.146 -1.039 3.951 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.603 -1.141 2.482 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.543 -2.324 2.222 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.218 0.151 1.949 1.00 0.00 C ATOM 0 H LEU A 68 -4.489 -0.965 6.188 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.188 0.721 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.177 -0.539 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.982 -2.054 4.312 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.683 -1.321 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.827 -2.338 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.035 -3.255 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.437 -2.221 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.518 0.010 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.091 0.412 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.484 0.955 2.009 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.527 -2.165 5.538 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.753 -2.929 5.542 1.00 0.00 C ATOM 1064 C TYR A 69 -9.739 -2.244 6.496 1.00 0.00 C ATOM 1065 O TYR A 69 -10.941 -2.269 6.237 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.413 -4.362 5.959 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.563 -5.334 5.851 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -9.758 -5.975 4.616 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -10.413 -5.620 6.930 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -10.797 -6.899 4.439 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -11.466 -6.536 6.760 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.674 -7.167 5.510 1.00 0.00 C ATOM 1073 OH TYR A 69 -12.686 -8.059 5.329 1.00 0.00 O ATOM 0 H TYR A 69 -6.739 -2.659 5.957 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.224 -2.972 4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.590 -4.722 5.341 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.057 -4.353 6.989 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.098 -5.752 3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.259 -5.140 7.885 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.925 -7.401 3.491 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -12.121 -6.760 7.589 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.204 -8.138 6.157 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.251 -1.553 7.539 1.00 0.00 N ATOM 1084 CA ALA A 70 -10.082 -0.699 8.369 1.00 0.00 C ATOM 1085 C ALA A 70 -10.525 0.570 7.644 1.00 0.00 C ATOM 1086 O ALA A 70 -11.674 0.974 7.815 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.347 -0.326 9.646 1.00 0.00 C ATOM 0 H ALA A 70 -8.271 -1.578 7.821 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.978 -1.270 8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.982 0.314 10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.101 -1.231 10.202 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.430 0.206 9.395 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.663 1.224 6.851 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.092 2.345 6.021 1.00 0.00 C ATOM 1095 C LEU A 71 -11.240 1.903 5.106 1.00 0.00 C ATOM 1096 O LEU A 71 -12.234 2.614 4.959 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.890 2.912 5.257 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.243 4.053 4.284 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -9.860 5.262 5.002 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -7.975 4.503 3.556 1.00 0.00 C ATOM 0 H LEU A 71 -8.673 0.993 6.771 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.480 3.153 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.156 3.276 5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.416 2.106 4.697 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.983 3.669 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.091 6.039 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.775 4.956 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.152 5.650 5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.219 5.311 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.244 4.856 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.558 3.664 2.999 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.143 0.702 4.537 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.229 0.100 3.778 1.00 0.00 C ATOM 1114 C ASP A 72 -13.453 -0.217 4.643 1.00 0.00 C ATOM 1115 O ASP A 72 -14.584 -0.092 4.177 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.743 -1.147 3.033 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.914 -1.822 2.330 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.427 -1.248 1.340 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.373 -2.887 2.797 1.00 0.00 O ATOM 0 H ASP A 72 -10.306 0.121 4.592 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.552 0.841 3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.980 -0.872 2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.279 -1.842 3.733 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.263 -0.561 5.915 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.343 -0.930 6.824 1.00 0.00 C ATOM 1126 C ALA A 73 -15.215 0.277 7.175 1.00 0.00 C ATOM 1127 O ALA A 73 -16.420 0.117 7.363 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.785 -1.583 8.094 1.00 0.00 C ATOM 0 H ALA A 73 -12.340 -0.591 6.348 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.973 -1.657 6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.608 -1.850 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.228 -2.481 7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.122 -0.883 8.602 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.652 1.494 7.207 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.456 2.723 7.338 1.00 0.00 C ATOM 1136 C ARG A 74 -16.061 3.129 5.988 1.00 0.00 C ATOM 1137 O ARG A 74 -16.843 4.081 5.932 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.672 3.891 7.978 1.00 0.00 C ATOM 1139 CG ARG A 74 -13.262 4.153 7.438 1.00 0.00 C ATOM 1140 CD ARG A 74 -12.552 5.287 8.195 1.00 0.00 C ATOM 1141 NE ARG A 74 -11.119 4.996 8.385 1.00 0.00 N ATOM 1142 CZ ARG A 74 -10.598 4.164 9.298 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -11.336 3.702 10.303 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -9.333 3.788 9.199 1.00 0.00 N ATOM 0 H ARG A 74 -13.647 1.656 7.144 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.270 2.492 8.024 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.258 4.802 7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.596 3.703 9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.670 3.241 7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.321 4.406 6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.665 6.220 7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.027 5.431 9.166 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.464 5.472 7.765 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.314 3.980 10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.924 3.070 10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.758 4.131 8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.933 3.155 9.892 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.722 2.433 4.904 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.142 2.786 3.558 1.00 0.00 C ATOM 1160 C GLY A 75 -15.355 3.980 3.023 1.00 0.00 C ATOM 1161 O GLY A 75 -15.823 4.647 2.105 1.00 0.00 O ATOM 0 H GLY A 75 -15.139 1.597 4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.003 1.931 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.207 3.020 3.557 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.195 4.287 3.608 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.392 5.449 3.259 1.00 0.00 C ATOM 1167 C GLY A 76 -12.326 5.134 2.214 1.00 0.00 C ATOM 1168 O GLY A 76 -11.615 6.048 1.797 1.00 0.00 O ATOM 0 H GLY A 76 -13.785 3.721 4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.044 6.236 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.911 5.837 4.157 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.191 3.871 1.797 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.231 3.470 0.778 1.00 0.00 C ATOM 1174 C LEU A 77 -11.817 3.684 -0.614 1.00 0.00 C ATOM 1175 O LEU A 77 -11.175 4.309 -1.455 1.00 0.00 O ATOM 1176 CB LEU A 77 -10.830 2.002 1.002 1.00 0.00 C ATOM 1177 CG LEU A 77 -9.811 1.496 -0.029 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.487 2.258 0.062 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.547 0.009 0.175 1.00 0.00 C ATOM 0 H LEU A 77 -12.749 3.099 2.162 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.335 4.086 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.411 1.894 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.722 1.377 0.961 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.239 1.665 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.792 1.871 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.664 3.318 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.061 2.129 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.823 -0.337 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.151 -0.156 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.478 -0.545 0.057 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.028 3.174 -0.856 1.00 0.00 N ATOM 1192 CA ASP A 78 -13.672 3.233 -2.171 1.00 0.00 C ATOM 1193 C ASP A 78 -13.760 4.680 -2.684 1.00 0.00 C ATOM 1194 O ASP A 78 -13.383 4.879 -3.831 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.050 2.542 -2.190 1.00 0.00 C ATOM 1196 CG ASP A 78 -16.155 3.296 -2.945 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -16.702 4.303 -2.438 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.542 2.842 -4.042 1.00 0.00 O ATOM 0 H ASP A 78 -13.590 2.708 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.037 2.671 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.936 1.555 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -15.375 2.390 -1.161 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.145 5.718 -1.912 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.300 7.062 -2.457 1.00 0.00 C ATOM 1205 C PRO A 79 -12.958 7.772 -2.695 1.00 0.00 C ATOM 1206 O PRO A 79 -12.944 8.975 -2.980 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.208 7.789 -1.465 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.778 7.178 -0.136 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.566 5.717 -0.519 1.00 0.00 C ATOM 0 HA PRO A 79 -14.743 7.044 -3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.055 8.868 -1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.263 7.613 -1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.867 7.636 0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.542 7.292 0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.810 5.254 0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.484 5.144 -0.391 1.00 0.00 H new ATOM 1217 N LEU A 80 -11.830 7.071 -2.538 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.500 7.507 -2.939 1.00 0.00 C ATOM 1219 C LEU A 80 -9.959 6.612 -4.068 1.00 0.00 C ATOM 1220 O LEU A 80 -8.886 6.873 -4.606 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.575 7.500 -1.714 1.00 0.00 C ATOM 1222 CG LEU A 80 -9.926 8.566 -0.656 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.118 8.352 0.628 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -9.660 9.987 -1.169 1.00 0.00 C ATOM 0 H LEU A 80 -11.825 6.146 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.547 8.524 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.613 6.515 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.549 7.657 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.990 8.457 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.385 9.117 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.340 7.367 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.054 8.420 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.920 10.708 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.605 10.091 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.266 10.173 -2.056 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.697 5.587 -4.487 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.363 4.671 -5.578 1.00 0.00 C ATOM 1238 C LEU A 81 -11.494 4.608 -6.602 1.00 0.00 C ATOM 1239 O LEU A 81 -11.462 3.772 -7.508 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.081 3.284 -4.978 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.625 3.163 -4.513 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.500 2.037 -3.492 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.679 2.922 -5.696 1.00 0.00 C ATOM 0 H LEU A 81 -11.592 5.360 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.477 5.029 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.750 3.107 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.293 2.514 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.336 4.104 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.463 1.956 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.135 2.253 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.812 1.097 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.655 2.841 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.958 1.998 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.751 3.755 -6.395 1.00 0.00 H new ATOM 1255 N LYS A 82 -12.497 5.470 -6.466 1.00 0.00 N ATOM 1256 CA LYS A 82 -13.758 5.426 -7.189 1.00 0.00 C ATOM 1257 C LYS A 82 -14.487 6.733 -6.942 1.00 0.00 C ATOM 1258 O LYS A 82 -13.931 7.624 -6.254 1.00 0.00 O ATOM 1259 CB LYS A 82 -14.590 4.222 -6.689 1.00 0.00 C ATOM 1260 CG LYS A 82 -15.031 3.326 -7.847 1.00 0.00 C ATOM 1261 CD LYS A 82 -15.737 2.076 -7.311 1.00 0.00 C ATOM 1262 CE LYS A 82 -16.262 1.251 -8.486 1.00 0.00 C ATOM 1263 NZ LYS A 82 -17.042 0.081 -8.039 1.00 0.00 N ATOM 1264 OXT LYS A 82 -15.618 6.894 -7.443 1.00 0.00 O ATOM 0 H LYS A 82 -12.447 6.255 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.593 5.303 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -14.000 3.640 -5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.467 4.583 -6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.702 3.876 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.165 3.036 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.046 1.481 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.560 2.362 -6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.886 1.881 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.423 0.915 -9.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.378 -0.449 -8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.441 -0.534 -7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.858 0.401 -7.479 1.00 0.00 H new TER 1278 LYS A 82