USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1122 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: B 9 HIS : no HD1:sc= 0.696 K(o=0.67,f=-5.9!) USER MOD Set 1.2: B 15 CYS SG : rot 130:sc= 0.419 USER MOD Set 1.3: B 37 HIS : no HD1:sc= -0.442 K(o=0.67,f=-4.6!) USER MOD Set 1.4: B 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= -0.151 K(o=-5.7,f=-13!) USER MOD Set 2.2: B 67 HIS : no HE2:sc= -5.5! C(o=-5.7!,f=-7.9!) USER MOD Set 3.1: A 67 HIS : no HE2:sc= -0.296 K(o=-1.5,f=-18!) USER MOD Set 3.2: B 69 ASN : amide:sc= -1.25! C(o=-1.5!,f=-11!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 8 TYR OH : rot 21:sc= 1.01 USER MOD Single : A 9 HIS : no HD1:sc= 1.14 K(o=1.1,f=-7.9!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0033 USER MOD Single : A 15 CYS SG : rot 150:sc= -3.21! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= 0.257 (180deg=-0.374) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0.896 K(o=0.9,f=-6.1!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= -0.0288 (180deg=-0.127) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 160:sc= -0.0132 USER MOD Single : A 78 LYS NZ :NH3+ 141:sc= 2.2 (180deg=1.51) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 138:sc= 1.07 (180deg=0.0821) USER MOD Single : B 8 TYR OH : rot 23:sc= 1.07 USER MOD Single : B 12 CYS SG : rot 6:sc= 0.158 USER MOD Single : B 17 SER OG : rot 98:sc= 0.0586 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 24 ASN : amide:sc= 0.017 K(o=0.017,f=-1.2!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -124:sc= 0.987 (180deg=-0.149) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ -124:sc= -0.178 (180deg=-1.29) USER MOD Single : B 55 SER OG : rot -102:sc= 0.0127 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 28.362 16.296 -11.539 1.00 0.00 N ATOM 20 CA ALA A 2 28.447 15.444 -10.363 1.00 0.00 C ATOM 21 C ALA A 2 28.262 16.275 -9.099 1.00 0.00 C ATOM 22 O ALA A 2 29.227 16.791 -8.527 1.00 0.00 O ATOM 23 CB ALA A 2 29.773 14.698 -10.332 1.00 0.00 C ATOM 0 HA ALA A 2 27.648 14.704 -10.411 1.00 0.00 H new ATOM 0 HB1 ALA A 2 29.815 14.067 -9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 2 29.862 14.077 -11.223 1.00 0.00 H new ATOM 0 HB3 ALA A 2 30.593 15.415 -10.306 1.00 0.00 H new ATOM 29 N SER A 3 27.011 16.435 -8.698 1.00 0.00 N ATOM 30 CA SER A 3 26.671 17.223 -7.525 1.00 0.00 C ATOM 31 C SER A 3 27.001 16.472 -6.237 1.00 0.00 C ATOM 32 O SER A 3 27.196 15.254 -6.240 1.00 0.00 O ATOM 33 CB SER A 3 25.188 17.583 -7.561 1.00 0.00 C ATOM 34 OG SER A 3 24.872 18.293 -8.745 1.00 0.00 O ATOM 0 H SER A 3 26.207 16.025 -9.173 1.00 0.00 H new ATOM 0 HA SER A 3 27.267 18.135 -7.540 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.587 16.675 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.935 18.188 -6.690 1.00 0.00 H new ATOM 0 HG SER A 3 23.917 18.513 -8.750 1.00 0.00 H new ATOM 40 N LYS A 4 27.063 17.217 -5.141 1.00 0.00 N ATOM 41 CA LYS A 4 27.372 16.649 -3.841 1.00 0.00 C ATOM 42 C LYS A 4 26.089 16.201 -3.147 1.00 0.00 C ATOM 43 O LYS A 4 25.185 17.007 -2.915 1.00 0.00 O ATOM 44 CB LYS A 4 28.094 17.690 -2.979 1.00 0.00 C ATOM 45 CG LYS A 4 28.677 17.135 -1.690 1.00 0.00 C ATOM 46 CD LYS A 4 29.944 16.334 -1.948 1.00 0.00 C ATOM 47 CE LYS A 4 30.498 15.751 -0.659 1.00 0.00 C ATOM 48 NZ LYS A 4 31.839 15.144 -0.844 1.00 0.00 N ATOM 0 H LYS A 4 26.901 18.224 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 4 28.021 15.784 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 4 28.897 18.137 -3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 4 27.395 18.490 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 4 28.897 17.955 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 4 27.939 16.501 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 4 29.732 15.530 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 4 30.694 16.974 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 4 30.558 16.536 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 4 29.810 14.996 -0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 32.174 14.760 0.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 31.779 14.377 -1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 32.505 15.869 -1.181 1.00 0.00 H new ATOM 62 N ALA A 5 26.005 14.916 -2.838 1.00 0.00 N ATOM 63 CA ALA A 5 24.843 14.370 -2.149 1.00 0.00 C ATOM 64 C ALA A 5 25.246 13.833 -0.783 1.00 0.00 C ATOM 65 O ALA A 5 25.991 12.862 -0.688 1.00 0.00 O ATOM 66 CB ALA A 5 24.199 13.275 -2.987 1.00 0.00 C ATOM 0 H ALA A 5 26.728 14.230 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 5 24.113 15.167 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 5 23.332 12.876 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.883 13.688 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 5 24.920 12.475 -3.157 1.00 0.00 H new ATOM 72 N ILE A 6 24.766 14.471 0.274 1.00 0.00 N ATOM 73 CA ILE A 6 25.134 14.075 1.629 1.00 0.00 C ATOM 74 C ILE A 6 23.990 13.326 2.302 1.00 0.00 C ATOM 75 O ILE A 6 22.876 13.837 2.392 1.00 0.00 O ATOM 76 CB ILE A 6 25.505 15.296 2.496 1.00 0.00 C ATOM 77 CG1 ILE A 6 26.514 16.193 1.775 1.00 0.00 C ATOM 78 CG2 ILE A 6 26.073 14.839 3.832 1.00 0.00 C ATOM 79 CD1 ILE A 6 27.843 15.524 1.512 1.00 0.00 C ATOM 0 H ILE A 6 24.124 15.262 0.223 1.00 0.00 H new ATOM 0 HA ILE A 6 26.004 13.423 1.544 1.00 0.00 H new ATOM 0 HB ILE A 6 24.599 15.875 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 6 26.086 16.516 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 6 26.681 17.090 2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 6 26.331 15.710 4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 6 25.329 14.241 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 6 26.966 14.238 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 6 28.506 16.221 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 6 28.294 15.225 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.690 14.643 0.889 1.00 0.00 H new ATOM 91 N PHE A 7 24.264 12.125 2.782 1.00 0.00 N ATOM 92 CA PHE A 7 23.240 11.320 3.428 1.00 0.00 C ATOM 93 C PHE A 7 23.496 11.228 4.930 1.00 0.00 C ATOM 94 O PHE A 7 24.477 10.627 5.368 1.00 0.00 O ATOM 95 CB PHE A 7 23.197 9.922 2.804 1.00 0.00 C ATOM 96 CG PHE A 7 22.040 9.082 3.269 1.00 0.00 C ATOM 97 CD1 PHE A 7 20.759 9.329 2.805 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.234 8.047 4.166 1.00 0.00 C ATOM 99 CE1 PHE A 7 19.693 8.560 3.226 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.173 7.273 4.591 1.00 0.00 C ATOM 101 CZ PHE A 7 19.900 7.530 4.121 1.00 0.00 C ATOM 0 H PHE A 7 25.184 11.686 2.737 1.00 0.00 H new ATOM 0 HA PHE A 7 22.273 11.800 3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.149 10.020 1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.127 9.403 3.036 1.00 0.00 H new ATOM 0 HD1 PHE A 7 20.592 10.134 2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.227 7.842 4.538 1.00 0.00 H new ATOM 0 HE1 PHE A 7 18.699 8.764 2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 7 21.338 6.467 5.291 1.00 0.00 H new ATOM 0 HZ PHE A 7 19.068 6.926 4.453 1.00 0.00 H new ATOM 111 N TYR A 8 22.612 11.840 5.708 1.00 0.00 N ATOM 112 CA TYR A 8 22.723 11.839 7.163 1.00 0.00 C ATOM 113 C TYR A 8 21.779 10.811 7.772 1.00 0.00 C ATOM 114 O TYR A 8 20.603 10.748 7.402 1.00 0.00 O ATOM 115 CB TYR A 8 22.367 13.215 7.740 1.00 0.00 C ATOM 116 CG TYR A 8 23.343 14.326 7.419 1.00 0.00 C ATOM 117 CD1 TYR A 8 24.458 14.544 8.219 1.00 0.00 C ATOM 118 CD2 TYR A 8 23.135 15.176 6.340 1.00 0.00 C ATOM 119 CE1 TYR A 8 25.338 15.575 7.953 1.00 0.00 C ATOM 120 CE2 TYR A 8 24.013 16.207 6.065 1.00 0.00 C ATOM 121 CZ TYR A 8 25.111 16.404 6.876 1.00 0.00 C ATOM 122 OH TYR A 8 25.986 17.430 6.607 1.00 0.00 O ATOM 0 H TYR A 8 21.802 12.348 5.352 1.00 0.00 H new ATOM 0 HA TYR A 8 23.756 11.591 7.409 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.382 13.501 7.370 1.00 0.00 H new ATOM 0 HB3 TYR A 8 22.287 13.126 8.823 1.00 0.00 H new ATOM 0 HD1 TYR A 8 24.640 13.896 9.064 1.00 0.00 H new ATOM 0 HD2 TYR A 8 22.273 15.029 5.706 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.199 15.730 8.586 1.00 0.00 H new ATOM 0 HE2 TYR A 8 23.840 16.856 5.219 1.00 0.00 H new ATOM 0 HH TYR A 8 26.849 17.243 7.031 1.00 0.00 H new ATOM 132 N HIS A 9 22.281 10.011 8.706 1.00 0.00 N ATOM 133 CA HIS A 9 21.426 9.101 9.458 1.00 0.00 C ATOM 134 C HIS A 9 22.085 8.702 10.775 1.00 0.00 C ATOM 135 O HIS A 9 23.253 9.008 11.008 1.00 0.00 O ATOM 136 CB HIS A 9 21.057 7.863 8.628 1.00 0.00 C ATOM 137 CG HIS A 9 22.170 6.890 8.387 1.00 0.00 C ATOM 138 ND1 HIS A 9 22.367 5.823 9.220 1.00 0.00 N ATOM 139 CD2 HIS A 9 23.064 6.830 7.373 1.00 0.00 C ATOM 140 CE1 HIS A 9 23.365 5.135 8.698 1.00 0.00 C ATOM 141 NE2 HIS A 9 23.822 5.704 7.572 1.00 0.00 N ATOM 0 H HIS A 9 23.268 9.974 8.959 1.00 0.00 H new ATOM 0 HA HIS A 9 20.500 9.629 9.688 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.244 7.340 9.131 1.00 0.00 H new ATOM 0 HB3 HIS A 9 20.674 8.196 7.663 1.00 0.00 H new ATOM 0 HD2 HIS A 9 23.162 7.535 6.561 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.764 4.227 9.124 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.582 5.366 6.981 1.00 0.00 H new ATOM 149 N ALA A 10 21.331 8.021 11.635 1.00 0.00 N ATOM 150 CA ALA A 10 21.807 7.685 12.976 1.00 0.00 C ATOM 151 C ALA A 10 21.960 6.178 13.169 1.00 0.00 C ATOM 152 O ALA A 10 22.135 5.701 14.292 1.00 0.00 O ATOM 153 CB ALA A 10 20.860 8.257 14.019 1.00 0.00 C ATOM 0 H ALA A 10 20.388 7.691 11.428 1.00 0.00 H new ATOM 0 HA ALA A 10 22.795 8.129 13.098 1.00 0.00 H new ATOM 0 HB1 ALA A 10 21.220 8.003 15.016 1.00 0.00 H new ATOM 0 HB2 ALA A 10 20.815 9.341 13.914 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.864 7.837 13.875 1.00 0.00 H new ATOM 159 N GLY A 11 21.904 5.430 12.075 1.00 0.00 N ATOM 160 CA GLY A 11 22.071 3.989 12.151 1.00 0.00 C ATOM 161 C GLY A 11 20.776 3.254 12.446 1.00 0.00 C ATOM 162 O GLY A 11 20.773 2.031 12.600 1.00 0.00 O ATOM 0 H GLY A 11 21.746 5.794 11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.481 3.627 11.208 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.800 3.754 12.927 1.00 0.00 H new ATOM 166 N CYS A 12 19.680 3.995 12.524 1.00 0.00 N ATOM 167 CA CYS A 12 18.370 3.411 12.785 1.00 0.00 C ATOM 168 C CYS A 12 17.959 2.477 11.645 1.00 0.00 C ATOM 169 O CYS A 12 18.381 2.667 10.504 1.00 0.00 O ATOM 170 CB CYS A 12 17.337 4.528 12.949 1.00 0.00 C ATOM 171 SG CYS A 12 17.787 5.763 14.189 1.00 0.00 S ATOM 0 H CYS A 12 19.672 5.009 12.410 1.00 0.00 H new ATOM 0 HA CYS A 12 18.421 2.826 13.703 1.00 0.00 H new ATOM 0 HB2 CYS A 12 17.198 5.025 11.989 1.00 0.00 H new ATOM 0 HB3 CYS A 12 16.378 4.086 13.221 1.00 0.00 H new ATOM 0 HG CYS A 12 16.857 6.669 14.257 1.00 0.00 H new ATOM 177 N PRO A 13 17.142 1.447 11.938 1.00 0.00 N ATOM 178 CA PRO A 13 16.655 0.500 10.925 1.00 0.00 C ATOM 179 C PRO A 13 15.998 1.212 9.744 1.00 0.00 C ATOM 180 O PRO A 13 16.206 0.842 8.589 1.00 0.00 O ATOM 181 CB PRO A 13 15.626 -0.358 11.679 1.00 0.00 C ATOM 182 CG PRO A 13 15.377 0.353 12.969 1.00 0.00 C ATOM 183 CD PRO A 13 16.634 1.111 13.277 1.00 0.00 C ATOM 0 HA PRO A 13 17.468 -0.085 10.495 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.706 -0.461 11.104 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.007 -1.364 11.853 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.526 1.029 12.883 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.144 -0.354 13.765 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.434 2.003 13.870 1.00 0.00 H new ATOM 0 HD3 PRO A 13 17.345 0.506 13.840 1.00 0.00 H new ATOM 191 N VAL A 14 15.223 2.250 10.048 1.00 0.00 N ATOM 192 CA VAL A 14 14.580 3.070 9.025 1.00 0.00 C ATOM 193 C VAL A 14 15.626 3.676 8.088 1.00 0.00 C ATOM 194 O VAL A 14 15.421 3.772 6.876 1.00 0.00 O ATOM 195 CB VAL A 14 13.752 4.203 9.671 1.00 0.00 C ATOM 196 CG1 VAL A 14 13.032 5.025 8.615 1.00 0.00 C ATOM 197 CG2 VAL A 14 12.762 3.639 10.679 1.00 0.00 C ATOM 0 H VAL A 14 15.024 2.545 11.004 1.00 0.00 H new ATOM 0 HA VAL A 14 13.913 2.426 8.451 1.00 0.00 H new ATOM 0 HB VAL A 14 14.441 4.862 10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.457 5.815 9.098 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.763 5.469 7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.359 4.381 8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.189 4.454 11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.083 2.950 10.176 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.303 3.108 11.462 1.00 0.00 H new ATOM 207 N CYS A 15 16.758 4.057 8.664 1.00 0.00 N ATOM 208 CA CYS A 15 17.841 4.669 7.912 1.00 0.00 C ATOM 209 C CYS A 15 18.561 3.633 7.055 1.00 0.00 C ATOM 210 O CYS A 15 18.933 3.909 5.917 1.00 0.00 O ATOM 211 CB CYS A 15 18.833 5.320 8.872 1.00 0.00 C ATOM 212 SG CYS A 15 18.082 6.471 10.048 1.00 0.00 S ATOM 0 H CYS A 15 16.949 3.951 9.660 1.00 0.00 H new ATOM 0 HA CYS A 15 17.417 5.427 7.254 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.351 4.538 9.427 1.00 0.00 H new ATOM 0 HB3 CYS A 15 19.587 5.852 8.292 1.00 0.00 H new ATOM 0 HG CYS A 15 18.773 6.478 11.149 1.00 0.00 H new ATOM 218 N VAL A 16 18.738 2.440 7.615 1.00 0.00 N ATOM 219 CA VAL A 16 19.449 1.353 6.943 1.00 0.00 C ATOM 220 C VAL A 16 18.808 1.012 5.599 1.00 0.00 C ATOM 221 O VAL A 16 19.503 0.828 4.594 1.00 0.00 O ATOM 222 CB VAL A 16 19.492 0.091 7.831 1.00 0.00 C ATOM 223 CG1 VAL A 16 20.090 -1.089 7.079 1.00 0.00 C ATOM 224 CG2 VAL A 16 20.279 0.366 9.103 1.00 0.00 C ATOM 0 H VAL A 16 18.394 2.198 8.544 1.00 0.00 H new ATOM 0 HA VAL A 16 20.467 1.698 6.763 1.00 0.00 H new ATOM 0 HB VAL A 16 18.468 -0.168 8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.108 -1.964 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.485 -1.304 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 16 21.107 -0.846 6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.301 -0.533 9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 16 21.298 0.654 8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.803 1.175 9.658 1.00 0.00 H new ATOM 234 N SER A 17 17.484 0.933 5.585 1.00 0.00 N ATOM 235 CA SER A 17 16.753 0.645 4.362 1.00 0.00 C ATOM 236 C SER A 17 17.001 1.732 3.317 1.00 0.00 C ATOM 237 O SER A 17 17.328 1.439 2.166 1.00 0.00 O ATOM 238 CB SER A 17 15.260 0.527 4.668 1.00 0.00 C ATOM 239 OG SER A 17 15.037 -0.399 5.718 1.00 0.00 O ATOM 0 H SER A 17 16.896 1.065 6.408 1.00 0.00 H new ATOM 0 HA SER A 17 17.107 -0.302 3.955 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.862 1.503 4.946 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.724 0.207 3.774 1.00 0.00 H new ATOM 0 HG SER A 17 14.076 -0.460 5.901 1.00 0.00 H new ATOM 245 N ALA A 18 16.876 2.986 3.737 1.00 0.00 N ATOM 246 CA ALA A 18 17.055 4.117 2.837 1.00 0.00 C ATOM 247 C ALA A 18 18.486 4.182 2.316 1.00 0.00 C ATOM 248 O ALA A 18 18.712 4.397 1.126 1.00 0.00 O ATOM 249 CB ALA A 18 16.687 5.412 3.545 1.00 0.00 C ATOM 0 H ALA A 18 16.651 3.244 4.698 1.00 0.00 H new ATOM 0 HA ALA A 18 16.393 3.982 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.824 6.251 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.645 5.370 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.327 5.545 4.417 1.00 0.00 H new ATOM 255 N GLU A 19 19.442 3.975 3.215 1.00 0.00 N ATOM 256 CA GLU A 19 20.860 4.031 2.875 1.00 0.00 C ATOM 257 C GLU A 19 21.199 3.074 1.735 1.00 0.00 C ATOM 258 O GLU A 19 21.634 3.495 0.665 1.00 0.00 O ATOM 259 CB GLU A 19 21.711 3.685 4.104 1.00 0.00 C ATOM 260 CG GLU A 19 23.209 3.677 3.834 1.00 0.00 C ATOM 261 CD GLU A 19 24.013 3.144 5.003 1.00 0.00 C ATOM 262 OE1 GLU A 19 24.033 1.909 5.198 1.00 0.00 O ATOM 263 OE2 GLU A 19 24.636 3.953 5.723 1.00 0.00 O ATOM 0 H GLU A 19 19.258 3.765 4.196 1.00 0.00 H new ATOM 0 HA GLU A 19 21.082 5.047 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 19 21.498 4.404 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.413 2.704 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.412 3.069 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.538 4.691 3.605 1.00 0.00 H new ATOM 270 N GLN A 20 20.966 1.790 1.957 1.00 0.00 N ATOM 271 CA GLN A 20 21.431 0.765 1.034 1.00 0.00 C ATOM 272 C GLN A 20 20.569 0.678 -0.225 1.00 0.00 C ATOM 273 O GLN A 20 20.992 0.099 -1.225 1.00 0.00 O ATOM 274 CB GLN A 20 21.497 -0.588 1.742 1.00 0.00 C ATOM 275 CG GLN A 20 22.448 -0.590 2.928 1.00 0.00 C ATOM 276 CD GLN A 20 22.585 -1.949 3.582 1.00 0.00 C ATOM 277 OE1 GLN A 20 21.655 -2.758 3.570 1.00 0.00 O ATOM 278 NE2 GLN A 20 23.745 -2.207 4.165 1.00 0.00 N ATOM 0 H GLN A 20 20.459 1.433 2.767 1.00 0.00 H new ATOM 0 HA GLN A 20 22.432 1.048 0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.499 -0.863 2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.812 -1.350 1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 20 23.430 -0.252 2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 20 22.096 0.128 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 20 24.489 -1.509 4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 20 23.895 -3.104 4.627 1.00 0.00 H new ATOM 287 N ALA A 21 19.372 1.247 -0.189 1.00 0.00 N ATOM 288 CA ALA A 21 18.504 1.233 -1.362 1.00 0.00 C ATOM 289 C ALA A 21 18.709 2.475 -2.225 1.00 0.00 C ATOM 290 O ALA A 21 19.058 2.372 -3.402 1.00 0.00 O ATOM 291 CB ALA A 21 17.045 1.102 -0.954 1.00 0.00 C ATOM 0 H ALA A 21 18.982 1.719 0.627 1.00 0.00 H new ATOM 0 HA ALA A 21 18.776 0.363 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 21 16.417 1.094 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.904 0.173 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.767 1.945 -0.322 1.00 0.00 H new ATOM 297 N VAL A 22 18.521 3.649 -1.635 1.00 0.00 N ATOM 298 CA VAL A 22 18.538 4.896 -2.392 1.00 0.00 C ATOM 299 C VAL A 22 19.945 5.240 -2.884 1.00 0.00 C ATOM 300 O VAL A 22 20.119 5.682 -4.020 1.00 0.00 O ATOM 301 CB VAL A 22 17.977 6.072 -1.562 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.935 7.350 -2.390 1.00 0.00 C ATOM 303 CG2 VAL A 22 16.590 5.734 -1.033 1.00 0.00 C ATOM 0 H VAL A 22 18.355 3.764 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 22 17.895 4.741 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 22 18.642 6.239 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 22 17.536 8.163 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 22 18.943 7.603 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 22 17.296 7.199 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.209 6.572 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.919 5.538 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.648 4.849 -0.400 1.00 0.00 H new ATOM 313 N ALA A 23 20.950 5.000 -2.045 1.00 0.00 N ATOM 314 CA ALA A 23 22.331 5.326 -2.402 1.00 0.00 C ATOM 315 C ALA A 23 22.887 4.350 -3.436 1.00 0.00 C ATOM 316 O ALA A 23 24.020 4.490 -3.890 1.00 0.00 O ATOM 317 CB ALA A 23 23.215 5.348 -1.162 1.00 0.00 C ATOM 0 H ALA A 23 20.837 4.584 -1.120 1.00 0.00 H new ATOM 0 HA ALA A 23 22.330 6.320 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 23 24.238 5.592 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.844 6.099 -0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 23 23.196 4.368 -0.684 1.00 0.00 H new ATOM 323 N ASN A 24 22.098 3.340 -3.783 1.00 0.00 N ATOM 324 CA ASN A 24 22.467 2.417 -4.851 1.00 0.00 C ATOM 325 C ASN A 24 21.612 2.675 -6.084 1.00 0.00 C ATOM 326 O ASN A 24 21.983 2.311 -7.200 1.00 0.00 O ATOM 327 CB ASN A 24 22.322 0.962 -4.398 1.00 0.00 C ATOM 328 CG ASN A 24 23.517 0.463 -3.600 1.00 0.00 C ATOM 329 OD1 ASN A 24 24.198 1.360 -2.902 1.00 0.00 O flip ATOM 330 ND2 ASN A 24 23.834 -0.727 -3.622 1.00 0.00 N flip ATOM 0 H ASN A 24 21.201 3.139 -3.342 1.00 0.00 H new ATOM 0 HA ASN A 24 23.514 2.588 -5.102 1.00 0.00 H new ATOM 0 HB2 ASN A 24 21.422 0.865 -3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 24 22.187 0.327 -5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 24 23.287 -1.390 -4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 24 24.644 -1.049 -3.092 1.00 0.00 H new ATOM 337 N ALA A 25 20.459 3.301 -5.870 1.00 0.00 N ATOM 338 CA ALA A 25 19.594 3.709 -6.967 1.00 0.00 C ATOM 339 C ALA A 25 20.202 4.905 -7.685 1.00 0.00 C ATOM 340 O ALA A 25 20.121 5.023 -8.907 1.00 0.00 O ATOM 341 CB ALA A 25 18.200 4.043 -6.453 1.00 0.00 C ATOM 0 H ALA A 25 20.103 3.536 -4.944 1.00 0.00 H new ATOM 0 HA ALA A 25 19.505 2.883 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 25 17.567 4.346 -7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.770 3.165 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 25 18.264 4.858 -5.732 1.00 0.00 H new ATOM 347 N ILE A 26 20.809 5.791 -6.908 1.00 0.00 N ATOM 348 CA ILE A 26 21.551 6.910 -7.459 1.00 0.00 C ATOM 349 C ILE A 26 23.014 6.517 -7.601 1.00 0.00 C ATOM 350 O ILE A 26 23.711 6.335 -6.604 1.00 0.00 O ATOM 351 CB ILE A 26 21.441 8.165 -6.567 1.00 0.00 C ATOM 352 CG1 ILE A 26 19.970 8.524 -6.333 1.00 0.00 C ATOM 353 CG2 ILE A 26 22.184 9.333 -7.202 1.00 0.00 C ATOM 354 CD1 ILE A 26 19.767 9.691 -5.388 1.00 0.00 C ATOM 0 H ILE A 26 20.800 5.754 -5.889 1.00 0.00 H new ATOM 0 HA ILE A 26 21.124 7.154 -8.432 1.00 0.00 H new ATOM 0 HB ILE A 26 21.900 7.949 -5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.507 8.760 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 26 19.452 7.652 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 26 22.097 10.211 -6.562 1.00 0.00 H new ATOM 0 HG22 ILE A 26 23.236 9.073 -7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 26 21.751 9.552 -8.178 1.00 0.00 H new ATOM 0 HD11 ILE A 26 18.701 9.885 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 26 20.199 9.452 -4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 26 20.255 10.577 -5.794 1.00 0.00 H new ATOM 366 N ASP A 27 23.466 6.358 -8.837 1.00 0.00 N ATOM 367 CA ASP A 27 24.833 5.924 -9.097 1.00 0.00 C ATOM 368 C ASP A 27 25.834 6.947 -8.582 1.00 0.00 C ATOM 369 O ASP A 27 25.714 8.141 -8.862 1.00 0.00 O ATOM 370 CB ASP A 27 25.061 5.683 -10.590 1.00 0.00 C ATOM 371 CG ASP A 27 24.169 4.595 -11.144 1.00 0.00 C ATOM 372 OD1 ASP A 27 24.394 3.410 -10.827 1.00 0.00 O ATOM 373 OD2 ASP A 27 23.228 4.921 -11.897 1.00 0.00 O ATOM 0 H ASP A 27 22.908 6.522 -9.675 1.00 0.00 H new ATOM 0 HA ASP A 27 24.984 4.984 -8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 27 24.881 6.609 -11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 27 26.104 5.413 -10.756 1.00 0.00 H new ATOM 378 N PRO A 28 26.846 6.485 -7.832 1.00 0.00 N ATOM 379 CA PRO A 28 27.860 7.361 -7.236 1.00 0.00 C ATOM 380 C PRO A 28 28.694 8.090 -8.286 1.00 0.00 C ATOM 381 O PRO A 28 29.213 9.180 -8.035 1.00 0.00 O ATOM 382 CB PRO A 28 28.737 6.404 -6.422 1.00 0.00 C ATOM 383 CG PRO A 28 28.492 5.056 -7.008 1.00 0.00 C ATOM 384 CD PRO A 28 27.073 5.069 -7.496 1.00 0.00 C ATOM 0 HA PRO A 28 27.406 8.151 -6.638 1.00 0.00 H new ATOM 0 HB2 PRO A 28 29.790 6.678 -6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.471 6.428 -5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 28 29.184 4.854 -7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 28 28.642 4.274 -6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.940 4.423 -8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 28 26.380 4.721 -6.730 1.00 0.00 H new ATOM 392 N SER A 29 28.818 7.490 -9.463 1.00 0.00 N ATOM 393 CA SER A 29 29.560 8.096 -10.556 1.00 0.00 C ATOM 394 C SER A 29 28.713 9.157 -11.257 1.00 0.00 C ATOM 395 O SER A 29 29.228 9.993 -12.006 1.00 0.00 O ATOM 396 CB SER A 29 30.005 7.017 -11.539 1.00 0.00 C ATOM 397 OG SER A 29 28.955 6.098 -11.788 1.00 0.00 O ATOM 0 H SER A 29 28.412 6.581 -9.683 1.00 0.00 H new ATOM 0 HA SER A 29 30.446 8.588 -10.154 1.00 0.00 H new ATOM 0 HB2 SER A 29 30.319 7.479 -12.475 1.00 0.00 H new ATOM 0 HB3 SER A 29 30.870 6.488 -11.138 1.00 0.00 H new ATOM 0 HG SER A 29 29.261 5.416 -12.422 1.00 0.00 H new ATOM 403 N LYS A 30 27.411 9.115 -11.003 1.00 0.00 N ATOM 404 CA LYS A 30 26.494 10.122 -11.510 1.00 0.00 C ATOM 405 C LYS A 30 26.451 11.282 -10.523 1.00 0.00 C ATOM 406 O LYS A 30 26.757 12.425 -10.867 1.00 0.00 O ATOM 407 CB LYS A 30 25.097 9.521 -11.684 1.00 0.00 C ATOM 408 CG LYS A 30 24.130 10.404 -12.454 1.00 0.00 C ATOM 409 CD LYS A 30 22.710 9.872 -12.358 1.00 0.00 C ATOM 410 CE LYS A 30 21.774 10.574 -13.330 1.00 0.00 C ATOM 411 NZ LYS A 30 22.038 10.172 -14.737 1.00 0.00 N ATOM 0 H LYS A 30 26.966 8.387 -10.444 1.00 0.00 H new ATOM 0 HA LYS A 30 26.835 10.479 -12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.187 8.565 -12.199 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.677 9.315 -10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.169 11.420 -12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.433 10.455 -13.500 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.709 8.801 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.341 10.003 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.741 10.341 -13.073 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.891 11.653 -13.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.239 10.461 -15.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.907 10.634 -15.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.153 9.140 -14.787 1.00 0.00 H new ATOM 425 N TYR A 31 26.086 10.960 -9.288 1.00 0.00 N ATOM 426 CA TYR A 31 26.115 11.913 -8.187 1.00 0.00 C ATOM 427 C TYR A 31 26.804 11.262 -6.995 1.00 0.00 C ATOM 428 O TYR A 31 26.437 10.161 -6.590 1.00 0.00 O ATOM 429 CB TYR A 31 24.700 12.357 -7.797 1.00 0.00 C ATOM 430 CG TYR A 31 23.945 13.046 -8.914 1.00 0.00 C ATOM 431 CD1 TYR A 31 24.272 14.336 -9.307 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.907 12.401 -9.576 1.00 0.00 C ATOM 433 CE1 TYR A 31 23.587 14.966 -10.329 1.00 0.00 C ATOM 434 CE2 TYR A 31 22.217 13.025 -10.596 1.00 0.00 C ATOM 435 CZ TYR A 31 22.561 14.305 -10.971 1.00 0.00 C ATOM 436 OH TYR A 31 21.879 14.925 -11.995 1.00 0.00 O ATOM 0 H TYR A 31 25.762 10.030 -9.022 1.00 0.00 H new ATOM 0 HA TYR A 31 26.664 12.800 -8.502 1.00 0.00 H new ATOM 0 HB2 TYR A 31 24.133 11.485 -7.472 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.764 13.032 -6.944 1.00 0.00 H new ATOM 0 HD1 TYR A 31 25.075 14.856 -8.806 1.00 0.00 H new ATOM 0 HD2 TYR A 31 22.636 11.396 -9.288 1.00 0.00 H new ATOM 0 HE1 TYR A 31 23.854 15.970 -10.623 1.00 0.00 H new ATOM 0 HE2 TYR A 31 21.410 12.511 -11.098 1.00 0.00 H new ATOM 0 HH TYR A 31 21.188 14.322 -12.340 1.00 0.00 H new ATOM 446 N THR A 32 27.806 11.928 -6.448 1.00 0.00 N ATOM 447 CA THR A 32 28.607 11.341 -5.386 1.00 0.00 C ATOM 448 C THR A 32 27.872 11.379 -4.048 1.00 0.00 C ATOM 449 O THR A 32 27.707 12.442 -3.444 1.00 0.00 O ATOM 450 CB THR A 32 29.960 12.060 -5.260 1.00 0.00 C ATOM 451 OG1 THR A 32 30.565 12.170 -6.556 1.00 0.00 O ATOM 452 CG2 THR A 32 30.893 11.298 -4.328 1.00 0.00 C ATOM 0 H THR A 32 28.084 12.871 -6.719 1.00 0.00 H new ATOM 0 HA THR A 32 28.784 10.299 -5.651 1.00 0.00 H new ATOM 0 HB THR A 32 29.788 13.053 -4.844 1.00 0.00 H new ATOM 0 HG1 THR A 32 31.427 12.630 -6.477 1.00 0.00 H new ATOM 0 HG21 THR A 32 31.844 11.825 -4.254 1.00 0.00 H new ATOM 0 HG22 THR A 32 30.440 11.226 -3.339 1.00 0.00 H new ATOM 0 HG23 THR A 32 31.063 10.296 -4.723 1.00 0.00 H new ATOM 460 N VAL A 33 27.422 10.212 -3.604 1.00 0.00 N ATOM 461 CA VAL A 33 26.720 10.088 -2.336 1.00 0.00 C ATOM 462 C VAL A 33 27.711 9.899 -1.191 1.00 0.00 C ATOM 463 O VAL A 33 28.442 8.907 -1.138 1.00 0.00 O ATOM 464 CB VAL A 33 25.724 8.907 -2.352 1.00 0.00 C ATOM 465 CG1 VAL A 33 24.940 8.848 -1.049 1.00 0.00 C ATOM 466 CG2 VAL A 33 24.781 9.015 -3.541 1.00 0.00 C ATOM 0 H VAL A 33 27.533 9.333 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 33 26.160 11.011 -2.185 1.00 0.00 H new ATOM 0 HB VAL A 33 26.293 7.983 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.244 8.010 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.630 8.716 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.384 9.776 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.088 8.174 -3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 33 24.220 9.948 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 33 25.358 9.001 -4.466 1.00 0.00 H new ATOM 476 N GLU A 34 27.732 10.858 -0.285 1.00 0.00 N ATOM 477 CA GLU A 34 28.622 10.829 0.863 1.00 0.00 C ATOM 478 C GLU A 34 27.817 10.540 2.128 1.00 0.00 C ATOM 479 O GLU A 34 26.875 11.263 2.450 1.00 0.00 O ATOM 480 CB GLU A 34 29.351 12.172 0.967 1.00 0.00 C ATOM 481 CG GLU A 34 30.410 12.234 2.053 1.00 0.00 C ATOM 482 CD GLU A 34 31.221 13.513 1.986 1.00 0.00 C ATOM 483 OE1 GLU A 34 30.818 14.515 2.605 1.00 0.00 O ATOM 484 OE2 GLU A 34 32.264 13.524 1.295 1.00 0.00 O ATOM 0 H GLU A 34 27.131 11.682 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 34 29.363 10.039 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 34 29.820 12.391 0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 34 28.616 12.956 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.932 12.159 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.077 11.377 1.958 1.00 0.00 H new ATOM 491 N ILE A 35 28.177 9.473 2.826 1.00 0.00 N ATOM 492 CA ILE A 35 27.422 9.031 3.992 1.00 0.00 C ATOM 493 C ILE A 35 27.979 9.651 5.270 1.00 0.00 C ATOM 494 O ILE A 35 29.186 9.627 5.506 1.00 0.00 O ATOM 495 CB ILE A 35 27.451 7.489 4.127 1.00 0.00 C ATOM 496 CG1 ILE A 35 26.995 6.819 2.824 1.00 0.00 C ATOM 497 CG2 ILE A 35 26.580 7.033 5.292 1.00 0.00 C ATOM 498 CD1 ILE A 35 25.576 7.162 2.420 1.00 0.00 C ATOM 0 H ILE A 35 28.988 8.896 2.606 1.00 0.00 H new ATOM 0 HA ILE A 35 26.392 9.358 3.849 1.00 0.00 H new ATOM 0 HB ILE A 35 28.479 7.187 4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 35 27.671 7.111 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 35 27.079 5.738 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.615 5.946 5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 35 26.950 7.474 6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 35 25.551 7.352 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 35 25.329 6.650 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 35 24.888 6.844 3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 35 25.489 8.239 2.276 1.00 0.00 H new ATOM 510 N VAL A 36 27.095 10.213 6.083 1.00 0.00 N ATOM 511 CA VAL A 36 27.484 10.775 7.366 1.00 0.00 C ATOM 512 C VAL A 36 26.673 10.140 8.489 1.00 0.00 C ATOM 513 O VAL A 36 25.453 10.304 8.562 1.00 0.00 O ATOM 514 CB VAL A 36 27.295 12.307 7.407 1.00 0.00 C ATOM 515 CG1 VAL A 36 27.717 12.864 8.760 1.00 0.00 C ATOM 516 CG2 VAL A 36 28.077 12.978 6.287 1.00 0.00 C ATOM 0 H VAL A 36 26.100 10.291 5.874 1.00 0.00 H new ATOM 0 HA VAL A 36 28.543 10.558 7.503 1.00 0.00 H new ATOM 0 HB VAL A 36 26.236 12.522 7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 36 27.576 13.945 8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 36 27.110 12.413 9.545 1.00 0.00 H new ATOM 0 HG13 VAL A 36 28.768 12.634 8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.929 14.057 6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 36 29.138 12.752 6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.725 12.606 5.324 1.00 0.00 H new ATOM 526 N HIS A 37 27.354 9.405 9.353 1.00 0.00 N ATOM 527 CA HIS A 37 26.705 8.748 10.475 1.00 0.00 C ATOM 528 C HIS A 37 26.700 9.683 11.681 1.00 0.00 C ATOM 529 O HIS A 37 27.760 10.070 12.184 1.00 0.00 O ATOM 530 CB HIS A 37 27.429 7.441 10.811 1.00 0.00 C ATOM 531 CG HIS A 37 26.613 6.478 11.620 1.00 0.00 C ATOM 532 ND1 HIS A 37 26.266 6.741 12.922 1.00 0.00 N ATOM 533 CD2 HIS A 37 26.098 5.277 11.263 1.00 0.00 C ATOM 534 CE1 HIS A 37 25.560 5.703 13.327 1.00 0.00 C ATOM 535 NE2 HIS A 37 25.432 4.787 12.358 1.00 0.00 N ATOM 0 H HIS A 37 28.360 9.248 9.298 1.00 0.00 H new ATOM 0 HA HIS A 37 25.675 8.510 10.208 1.00 0.00 H new ATOM 0 HB2 HIS A 37 27.729 6.955 9.882 1.00 0.00 H new ATOM 0 HB3 HIS A 37 28.343 7.675 11.358 1.00 0.00 H new ATOM 0 HD2 HIS A 37 26.193 4.797 10.300 1.00 0.00 H new ATOM 0 HE1 HIS A 37 25.138 5.604 14.316 1.00 0.00 H new ATOM 0 HE2 HIS A 37 24.936 3.898 12.422 1.00 0.00 H new ATOM 543 N LEU A 38 25.510 10.048 12.137 1.00 0.00 N ATOM 544 CA LEU A 38 25.363 11.007 13.229 1.00 0.00 C ATOM 545 C LEU A 38 25.669 10.367 14.580 1.00 0.00 C ATOM 546 O LEU A 38 25.731 11.049 15.600 1.00 0.00 O ATOM 547 CB LEU A 38 23.948 11.591 13.232 1.00 0.00 C ATOM 548 CG LEU A 38 23.560 12.360 11.966 1.00 0.00 C ATOM 549 CD1 LEU A 38 22.135 12.879 12.073 1.00 0.00 C ATOM 550 CD2 LEU A 38 24.529 13.508 11.720 1.00 0.00 C ATOM 0 H LEU A 38 24.628 9.694 11.768 1.00 0.00 H new ATOM 0 HA LEU A 38 26.083 11.809 13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.236 10.778 13.377 1.00 0.00 H new ATOM 0 HB3 LEU A 38 23.849 12.258 14.088 1.00 0.00 H new ATOM 0 HG LEU A 38 23.615 11.677 11.119 1.00 0.00 H new ATOM 0 HD11 LEU A 38 21.877 13.423 11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.451 12.040 12.201 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.054 13.547 12.931 1.00 0.00 H new ATOM 0 HD21 LEU A 38 24.237 14.043 10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 38 24.507 14.191 12.569 1.00 0.00 H new ATOM 0 HD23 LEU A 38 25.538 13.113 11.598 1.00 0.00 H new ATOM 562 N GLY A 39 25.868 9.059 14.580 1.00 0.00 N ATOM 563 CA GLY A 39 26.193 8.362 15.807 1.00 0.00 C ATOM 564 C GLY A 39 27.684 8.352 16.068 1.00 0.00 C ATOM 565 O GLY A 39 28.134 7.951 17.140 1.00 0.00 O ATOM 0 H GLY A 39 25.810 8.466 13.752 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.681 8.839 16.643 1.00 0.00 H new ATOM 0 HA3 GLY A 39 25.827 7.337 15.751 1.00 0.00 H new ATOM 569 N THR A 40 28.448 8.801 15.083 1.00 0.00 N ATOM 570 CA THR A 40 29.896 8.851 15.198 1.00 0.00 C ATOM 571 C THR A 40 30.349 10.126 15.909 1.00 0.00 C ATOM 572 O THR A 40 31.341 10.124 16.638 1.00 0.00 O ATOM 573 CB THR A 40 30.556 8.791 13.806 1.00 0.00 C ATOM 574 OG1 THR A 40 30.085 7.642 13.088 1.00 0.00 O ATOM 575 CG2 THR A 40 32.074 8.733 13.918 1.00 0.00 C ATOM 0 H THR A 40 28.086 9.137 14.191 1.00 0.00 H new ATOM 0 HA THR A 40 30.205 7.986 15.785 1.00 0.00 H new ATOM 0 HB THR A 40 30.284 9.698 13.267 1.00 0.00 H new ATOM 0 HG1 THR A 40 30.508 7.612 12.204 1.00 0.00 H new ATOM 0 HG21 THR A 40 32.511 8.691 12.920 1.00 0.00 H new ATOM 0 HG22 THR A 40 32.435 9.622 14.436 1.00 0.00 H new ATOM 0 HG23 THR A 40 32.364 7.844 14.478 1.00 0.00 H new ATOM 583 N ASP A 41 29.614 11.211 15.708 1.00 0.00 N ATOM 584 CA ASP A 41 30.034 12.510 16.215 1.00 0.00 C ATOM 585 C ASP A 41 28.850 13.463 16.344 1.00 0.00 C ATOM 586 O ASP A 41 28.018 13.556 15.442 1.00 0.00 O ATOM 587 CB ASP A 41 31.093 13.102 15.286 1.00 0.00 C ATOM 588 CG ASP A 41 31.450 14.525 15.642 1.00 0.00 C ATOM 589 OD1 ASP A 41 32.267 14.729 16.564 1.00 0.00 O ATOM 590 OD2 ASP A 41 30.918 15.440 14.996 1.00 0.00 O ATOM 0 H ASP A 41 28.729 11.218 15.201 1.00 0.00 H new ATOM 0 HA ASP A 41 30.458 12.373 17.210 1.00 0.00 H new ATOM 0 HB2 ASP A 41 31.991 12.486 15.326 1.00 0.00 H new ATOM 0 HB3 ASP A 41 30.729 13.069 14.259 1.00 0.00 H new ATOM 595 N LYS A 42 28.791 14.175 17.466 1.00 0.00 N ATOM 596 CA LYS A 42 27.680 15.085 17.740 1.00 0.00 C ATOM 597 C LYS A 42 27.845 16.424 17.027 1.00 0.00 C ATOM 598 O LYS A 42 26.867 17.141 16.813 1.00 0.00 O ATOM 599 CB LYS A 42 27.532 15.325 19.245 1.00 0.00 C ATOM 600 CG LYS A 42 26.955 14.144 20.010 1.00 0.00 C ATOM 601 CD LYS A 42 26.743 14.499 21.472 1.00 0.00 C ATOM 602 CE LYS A 42 26.070 13.374 22.241 1.00 0.00 C ATOM 603 NZ LYS A 42 25.885 13.727 23.673 1.00 0.00 N ATOM 0 H LYS A 42 29.498 14.140 18.200 1.00 0.00 H new ATOM 0 HA LYS A 42 26.780 14.604 17.357 1.00 0.00 H new ATOM 0 HB2 LYS A 42 28.509 15.570 19.660 1.00 0.00 H new ATOM 0 HB3 LYS A 42 26.892 16.193 19.402 1.00 0.00 H new ATOM 0 HG2 LYS A 42 26.007 13.844 19.563 1.00 0.00 H new ATOM 0 HG3 LYS A 42 27.629 13.291 19.932 1.00 0.00 H new ATOM 0 HD2 LYS A 42 27.704 14.728 21.932 1.00 0.00 H new ATOM 0 HD3 LYS A 42 26.134 15.400 21.541 1.00 0.00 H new ATOM 0 HE2 LYS A 42 25.102 13.153 21.792 1.00 0.00 H new ATOM 0 HE3 LYS A 42 26.671 12.468 22.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 25.423 12.938 24.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 26.811 13.914 24.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 25.291 14.577 23.747 1.00 0.00 H new ATOM 617 N ALA A 43 29.070 16.762 16.650 1.00 0.00 N ATOM 618 CA ALA A 43 29.328 18.029 15.979 1.00 0.00 C ATOM 619 C ALA A 43 28.776 17.996 14.561 1.00 0.00 C ATOM 620 O ALA A 43 28.297 19.003 14.042 1.00 0.00 O ATOM 621 CB ALA A 43 30.816 18.344 15.970 1.00 0.00 C ATOM 0 H ALA A 43 29.896 16.181 16.796 1.00 0.00 H new ATOM 0 HA ALA A 43 28.821 18.821 16.531 1.00 0.00 H new ATOM 0 HB1 ALA A 43 30.984 19.295 15.464 1.00 0.00 H new ATOM 0 HB2 ALA A 43 31.180 18.410 16.995 1.00 0.00 H new ATOM 0 HB3 ALA A 43 31.352 17.554 15.445 1.00 0.00 H new ATOM 627 N ARG A 44 28.831 16.825 13.939 1.00 0.00 N ATOM 628 CA ARG A 44 28.257 16.642 12.615 1.00 0.00 C ATOM 629 C ARG A 44 26.733 16.607 12.688 1.00 0.00 C ATOM 630 O ARG A 44 26.049 16.820 11.687 1.00 0.00 O ATOM 631 CB ARG A 44 28.792 15.374 11.949 1.00 0.00 C ATOM 632 CG ARG A 44 30.302 15.380 11.773 1.00 0.00 C ATOM 633 CD ARG A 44 30.710 14.706 10.476 1.00 0.00 C ATOM 634 NE ARG A 44 30.195 15.426 9.309 1.00 0.00 N ATOM 635 CZ ARG A 44 30.591 15.209 8.059 1.00 0.00 C ATOM 636 NH1 ARG A 44 31.502 14.284 7.789 1.00 0.00 N ATOM 637 NH2 ARG A 44 30.074 15.928 7.076 1.00 0.00 N ATOM 0 H ARG A 44 29.267 15.990 14.331 1.00 0.00 H new ATOM 0 HA ARG A 44 28.555 17.493 12.003 1.00 0.00 H new ATOM 0 HB2 ARG A 44 28.506 14.509 12.547 1.00 0.00 H new ATOM 0 HB3 ARG A 44 28.320 15.257 10.974 1.00 0.00 H new ATOM 0 HG2 ARG A 44 30.667 16.407 11.782 1.00 0.00 H new ATOM 0 HG3 ARG A 44 30.770 14.868 12.614 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.797 14.651 10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 44 30.338 13.681 10.465 1.00 0.00 H new ATOM 0 HE ARG A 44 29.485 16.142 9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 44 31.906 13.731 8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 44 31.798 14.126 6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 44 29.376 16.643 7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 44 30.373 15.767 6.114 1.00 0.00 H new ATOM 651 N ILE A 45 26.205 16.345 13.879 1.00 0.00 N ATOM 652 CA ILE A 45 24.770 16.453 14.110 1.00 0.00 C ATOM 653 C ILE A 45 24.361 17.916 14.010 1.00 0.00 C ATOM 654 O ILE A 45 23.337 18.255 13.414 1.00 0.00 O ATOM 655 CB ILE A 45 24.361 15.896 15.494 1.00 0.00 C ATOM 656 CG1 ILE A 45 24.707 14.409 15.592 1.00 0.00 C ATOM 657 CG2 ILE A 45 22.875 16.118 15.746 1.00 0.00 C ATOM 658 CD1 ILE A 45 24.370 13.790 16.934 1.00 0.00 C ATOM 0 H ILE A 45 26.746 16.058 14.695 1.00 0.00 H new ATOM 0 HA ILE A 45 24.260 15.858 13.353 1.00 0.00 H new ATOM 0 HB ILE A 45 24.920 16.433 16.260 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.174 13.869 14.809 1.00 0.00 H new ATOM 0 HG13 ILE A 45 25.772 14.280 15.400 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.608 15.719 16.725 1.00 0.00 H new ATOM 0 HG22 ILE A 45 22.657 17.186 15.718 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.295 15.609 14.976 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.644 12.735 16.927 1.00 0.00 H new ATOM 0 HD12 ILE A 45 24.923 14.303 17.721 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.300 13.886 17.121 1.00 0.00 H new ATOM 670 N ALA A 46 25.195 18.782 14.577 1.00 0.00 N ATOM 671 CA ALA A 46 24.981 20.219 14.499 1.00 0.00 C ATOM 672 C ALA A 46 25.091 20.691 13.053 1.00 0.00 C ATOM 673 O ALA A 46 24.382 21.604 12.634 1.00 0.00 O ATOM 674 CB ALA A 46 25.979 20.954 15.382 1.00 0.00 C ATOM 0 H ALA A 46 26.029 18.510 15.098 1.00 0.00 H new ATOM 0 HA ALA A 46 23.977 20.443 14.860 1.00 0.00 H new ATOM 0 HB1 ALA A 46 25.805 22.028 15.312 1.00 0.00 H new ATOM 0 HB2 ALA A 46 25.855 20.633 16.416 1.00 0.00 H new ATOM 0 HB3 ALA A 46 26.993 20.728 15.051 1.00 0.00 H new ATOM 680 N GLU A 47 25.985 20.059 12.297 1.00 0.00 N ATOM 681 CA GLU A 47 26.122 20.336 10.870 1.00 0.00 C ATOM 682 C GLU A 47 24.818 20.023 10.147 1.00 0.00 C ATOM 683 O GLU A 47 24.293 20.853 9.400 1.00 0.00 O ATOM 684 CB GLU A 47 27.260 19.512 10.263 1.00 0.00 C ATOM 685 CG GLU A 47 27.354 19.642 8.751 1.00 0.00 C ATOM 686 CD GLU A 47 28.405 18.738 8.145 1.00 0.00 C ATOM 687 OE1 GLU A 47 28.213 17.504 8.148 1.00 0.00 O ATOM 688 OE2 GLU A 47 29.414 19.260 7.635 1.00 0.00 O ATOM 0 H GLU A 47 26.627 19.350 12.650 1.00 0.00 H new ATOM 0 HA GLU A 47 26.356 21.394 10.750 1.00 0.00 H new ATOM 0 HB2 GLU A 47 28.204 19.826 10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 47 27.119 18.463 10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.384 19.409 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.580 20.677 8.494 1.00 0.00 H new ATOM 695 N ALA A 48 24.300 18.823 10.382 1.00 0.00 N ATOM 696 CA ALA A 48 23.037 18.401 9.796 1.00 0.00 C ATOM 697 C ALA A 48 21.925 19.370 10.173 1.00 0.00 C ATOM 698 O ALA A 48 21.120 19.769 9.329 1.00 0.00 O ATOM 699 CB ALA A 48 22.690 16.993 10.252 1.00 0.00 C ATOM 0 H ALA A 48 24.740 18.122 10.979 1.00 0.00 H new ATOM 0 HA ALA A 48 23.140 18.401 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.743 16.689 9.806 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.475 16.305 9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.603 16.974 11.338 1.00 0.00 H new ATOM 705 N GLU A 49 21.904 19.754 11.442 1.00 0.00 N ATOM 706 CA GLU A 49 20.935 20.712 11.948 1.00 0.00 C ATOM 707 C GLU A 49 21.023 22.034 11.187 1.00 0.00 C ATOM 708 O GLU A 49 20.004 22.584 10.768 1.00 0.00 O ATOM 709 CB GLU A 49 21.169 20.950 13.440 1.00 0.00 C ATOM 710 CG GLU A 49 20.213 21.954 14.051 1.00 0.00 C ATOM 711 CD GLU A 49 20.516 22.235 15.505 1.00 0.00 C ATOM 712 OE1 GLU A 49 21.453 23.010 15.781 1.00 0.00 O ATOM 713 OE2 GLU A 49 19.811 21.690 16.375 1.00 0.00 O ATOM 0 H GLU A 49 22.557 19.411 12.147 1.00 0.00 H new ATOM 0 HA GLU A 49 19.937 20.300 11.800 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.075 20.002 13.970 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.191 21.298 13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.261 22.886 13.487 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.193 21.580 13.962 1.00 0.00 H new ATOM 720 N LYS A 50 22.243 22.531 11.001 1.00 0.00 N ATOM 721 CA LYS A 50 22.463 23.782 10.283 1.00 0.00 C ATOM 722 C LYS A 50 21.995 23.677 8.834 1.00 0.00 C ATOM 723 O LYS A 50 21.390 24.607 8.302 1.00 0.00 O ATOM 724 CB LYS A 50 23.942 24.172 10.312 1.00 0.00 C ATOM 725 CG LYS A 50 24.455 24.555 11.689 1.00 0.00 C ATOM 726 CD LYS A 50 25.921 24.949 11.639 1.00 0.00 C ATOM 727 CE LYS A 50 26.439 25.383 13.001 1.00 0.00 C ATOM 728 NZ LYS A 50 26.375 24.286 14.004 1.00 0.00 N ATOM 0 H LYS A 50 23.096 22.085 11.339 1.00 0.00 H new ATOM 0 HA LYS A 50 21.878 24.552 10.786 1.00 0.00 H new ATOM 0 HB2 LYS A 50 24.534 23.338 9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.100 25.009 9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.866 25.384 12.082 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.324 23.718 12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 50 26.511 24.107 11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.054 25.761 10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.470 25.724 12.904 1.00 0.00 H new ATOM 0 HE3 LYS A 50 25.855 26.232 13.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 26.875 24.576 14.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 25.381 24.081 14.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.824 23.433 13.614 1.00 0.00 H new ATOM 742 N ALA A 51 22.286 22.543 8.205 1.00 0.00 N ATOM 743 CA ALA A 51 21.919 22.321 6.813 1.00 0.00 C ATOM 744 C ALA A 51 20.403 22.279 6.639 1.00 0.00 C ATOM 745 O ALA A 51 19.862 22.835 5.682 1.00 0.00 O ATOM 746 CB ALA A 51 22.546 21.031 6.303 1.00 0.00 C ATOM 0 H ALA A 51 22.777 21.762 8.640 1.00 0.00 H new ATOM 0 HA ALA A 51 22.300 23.157 6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 51 22.264 20.876 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 51 23.631 21.099 6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 51 22.192 20.193 6.903 1.00 0.00 H new ATOM 752 N GLY A 52 19.722 21.627 7.573 1.00 0.00 N ATOM 753 CA GLY A 52 18.278 21.527 7.495 1.00 0.00 C ATOM 754 C GLY A 52 17.778 20.111 7.700 1.00 0.00 C ATOM 755 O GLY A 52 16.671 19.769 7.284 1.00 0.00 O ATOM 0 H GLY A 52 20.142 21.167 8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.832 22.178 8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.945 21.888 6.522 1.00 0.00 H new ATOM 759 N VAL A 53 18.595 19.284 8.332 1.00 0.00 N ATOM 760 CA VAL A 53 18.200 17.925 8.655 1.00 0.00 C ATOM 761 C VAL A 53 17.477 17.911 9.993 1.00 0.00 C ATOM 762 O VAL A 53 18.090 18.085 11.044 1.00 0.00 O ATOM 763 CB VAL A 53 19.417 16.979 8.708 1.00 0.00 C ATOM 764 CG1 VAL A 53 18.998 15.569 9.096 1.00 0.00 C ATOM 765 CG2 VAL A 53 20.140 16.972 7.370 1.00 0.00 C ATOM 0 H VAL A 53 19.538 19.532 8.632 1.00 0.00 H new ATOM 0 HA VAL A 53 17.534 17.569 7.869 1.00 0.00 H new ATOM 0 HB VAL A 53 20.100 17.348 9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 53 19.876 14.924 9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.527 15.587 10.079 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.290 15.185 8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.997 16.300 7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.459 16.631 6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.483 17.980 7.137 1.00 0.00 H new ATOM 775 N LYS A 54 16.167 17.738 9.941 1.00 0.00 N ATOM 776 CA LYS A 54 15.341 17.769 11.139 1.00 0.00 C ATOM 777 C LYS A 54 14.899 16.366 11.530 1.00 0.00 C ATOM 778 O LYS A 54 14.321 16.158 12.598 1.00 0.00 O ATOM 779 CB LYS A 54 14.117 18.658 10.917 1.00 0.00 C ATOM 780 CG LYS A 54 14.463 20.092 10.550 1.00 0.00 C ATOM 781 CD LYS A 54 13.213 20.931 10.363 1.00 0.00 C ATOM 782 CE LYS A 54 13.555 22.354 9.956 1.00 0.00 C ATOM 783 NZ LYS A 54 12.339 23.197 9.825 1.00 0.00 N ATOM 0 H LYS A 54 15.649 17.574 9.078 1.00 0.00 H new ATOM 0 HA LYS A 54 15.939 18.182 11.951 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.505 18.227 10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.511 18.660 11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.084 20.530 11.332 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.051 20.103 9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.578 20.476 9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.640 20.944 11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.224 22.793 10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.093 22.342 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.613 24.161 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.712 22.792 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.839 23.229 10.736 1.00 0.00 H new ATOM 797 N SER A 55 15.162 15.407 10.661 1.00 0.00 N ATOM 798 CA SER A 55 14.801 14.024 10.918 1.00 0.00 C ATOM 799 C SER A 55 15.811 13.086 10.271 1.00 0.00 C ATOM 800 O SER A 55 16.527 13.473 9.350 1.00 0.00 O ATOM 801 CB SER A 55 13.395 13.736 10.383 1.00 0.00 C ATOM 802 OG SER A 55 12.444 14.619 10.957 1.00 0.00 O ATOM 0 H SER A 55 15.627 15.562 9.766 1.00 0.00 H new ATOM 0 HA SER A 55 14.808 13.856 11.995 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.386 13.841 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.121 12.705 10.606 1.00 0.00 H new ATOM 0 HG SER A 55 11.642 14.647 10.394 1.00 0.00 H new ATOM 808 N VAL A 56 15.881 11.865 10.767 1.00 0.00 N ATOM 809 CA VAL A 56 16.762 10.862 10.196 1.00 0.00 C ATOM 810 C VAL A 56 15.950 9.726 9.582 1.00 0.00 C ATOM 811 O VAL A 56 14.954 9.279 10.162 1.00 0.00 O ATOM 812 CB VAL A 56 17.750 10.293 11.244 1.00 0.00 C ATOM 813 CG1 VAL A 56 18.723 11.369 11.698 1.00 0.00 C ATOM 814 CG2 VAL A 56 17.010 9.713 12.441 1.00 0.00 C ATOM 0 H VAL A 56 15.337 11.542 11.567 1.00 0.00 H new ATOM 0 HA VAL A 56 17.346 11.353 9.418 1.00 0.00 H new ATOM 0 HB VAL A 56 18.311 9.488 10.770 1.00 0.00 H new ATOM 0 HG11 VAL A 56 19.410 10.951 12.434 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.288 11.734 10.840 1.00 0.00 H new ATOM 0 HG13 VAL A 56 18.170 12.195 12.145 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.730 9.321 13.159 1.00 0.00 H new ATOM 0 HG22 VAL A 56 16.414 10.494 12.914 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.355 8.908 12.108 1.00 0.00 H new ATOM 824 N PRO A 57 16.353 9.253 8.393 1.00 0.00 N ATOM 825 CA PRO A 57 17.503 9.781 7.666 1.00 0.00 C ATOM 826 C PRO A 57 17.131 10.893 6.681 1.00 0.00 C ATOM 827 O PRO A 57 15.954 11.124 6.398 1.00 0.00 O ATOM 828 CB PRO A 57 17.995 8.548 6.914 1.00 0.00 C ATOM 829 CG PRO A 57 16.764 7.743 6.640 1.00 0.00 C ATOM 830 CD PRO A 57 15.720 8.149 7.659 1.00 0.00 C ATOM 0 HA PRO A 57 18.237 10.241 8.327 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.499 8.826 5.988 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.712 7.983 7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.403 7.926 5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.978 6.677 6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.795 8.467 7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.466 7.322 8.322 1.00 0.00 H new ATOM 838 N ALA A 58 18.143 11.572 6.156 1.00 0.00 N ATOM 839 CA ALA A 58 17.929 12.647 5.200 1.00 0.00 C ATOM 840 C ALA A 58 19.062 12.692 4.185 1.00 0.00 C ATOM 841 O ALA A 58 20.209 12.406 4.518 1.00 0.00 O ATOM 842 CB ALA A 58 17.818 13.984 5.916 1.00 0.00 C ATOM 0 H ALA A 58 19.123 11.395 6.378 1.00 0.00 H new ATOM 0 HA ALA A 58 16.994 12.453 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.658 14.776 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.978 13.956 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.738 14.179 6.467 1.00 0.00 H new ATOM 848 N LEU A 59 18.735 13.044 2.953 1.00 0.00 N ATOM 849 CA LEU A 59 19.734 13.149 1.904 1.00 0.00 C ATOM 850 C LEU A 59 19.699 14.548 1.302 1.00 0.00 C ATOM 851 O LEU A 59 18.666 15.006 0.811 1.00 0.00 O ATOM 852 CB LEU A 59 19.491 12.078 0.828 1.00 0.00 C ATOM 853 CG LEU A 59 20.671 11.778 -0.109 1.00 0.00 C ATOM 854 CD1 LEU A 59 20.484 10.422 -0.773 1.00 0.00 C ATOM 855 CD2 LEU A 59 20.816 12.852 -1.176 1.00 0.00 C ATOM 0 H LEU A 59 17.784 13.262 2.655 1.00 0.00 H new ATOM 0 HA LEU A 59 20.723 12.979 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 59 19.204 11.151 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.641 12.389 0.220 1.00 0.00 H new ATOM 0 HG LEU A 59 21.579 11.766 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 59 21.327 10.221 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 59 20.430 9.647 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 59 19.561 10.425 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 59 21.660 12.611 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 59 19.904 12.899 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 59 20.988 13.817 -0.700 1.00 0.00 H new ATOM 867 N VAL A 60 20.828 15.228 1.371 1.00 0.00 N ATOM 868 CA VAL A 60 20.955 16.574 0.846 1.00 0.00 C ATOM 869 C VAL A 60 21.404 16.533 -0.610 1.00 0.00 C ATOM 870 O VAL A 60 22.562 16.232 -0.901 1.00 0.00 O ATOM 871 CB VAL A 60 21.967 17.401 1.665 1.00 0.00 C ATOM 872 CG1 VAL A 60 22.009 18.843 1.184 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.638 17.341 3.150 1.00 0.00 C ATOM 0 H VAL A 60 21.682 14.863 1.792 1.00 0.00 H new ATOM 0 HA VAL A 60 19.976 17.049 0.917 1.00 0.00 H new ATOM 0 HB VAL A 60 22.955 16.965 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 60 22.730 19.404 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.305 18.868 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 60 21.022 19.292 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 60 22.365 17.931 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.639 17.743 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.674 16.306 3.489 1.00 0.00 H new ATOM 883 N ILE A 61 20.484 16.826 -1.515 1.00 0.00 N ATOM 884 CA ILE A 61 20.794 16.850 -2.934 1.00 0.00 C ATOM 885 C ILE A 61 21.229 18.249 -3.343 1.00 0.00 C ATOM 886 O ILE A 61 20.394 19.114 -3.621 1.00 0.00 O ATOM 887 CB ILE A 61 19.590 16.415 -3.805 1.00 0.00 C ATOM 888 CG1 ILE A 61 19.100 15.024 -3.383 1.00 0.00 C ATOM 889 CG2 ILE A 61 19.975 16.414 -5.281 1.00 0.00 C ATOM 890 CD1 ILE A 61 17.926 14.520 -4.197 1.00 0.00 C ATOM 0 H ILE A 61 19.515 17.051 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 61 21.602 16.137 -3.101 1.00 0.00 H new ATOM 0 HB ILE A 61 18.780 17.129 -3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.924 14.316 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.816 15.052 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.118 16.106 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.284 17.417 -5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.799 15.719 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 61 17.635 13.531 -3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.086 15.207 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.211 14.459 -5.247 1.00 0.00 H new ATOM 902 N ASP A 62 22.541 18.470 -3.314 1.00 0.00 N ATOM 903 CA ASP A 62 23.144 19.733 -3.740 1.00 0.00 C ATOM 904 C ASP A 62 22.480 20.931 -3.057 1.00 0.00 C ATOM 905 O ASP A 62 22.137 21.923 -3.698 1.00 0.00 O ATOM 906 CB ASP A 62 23.072 19.873 -5.266 1.00 0.00 C ATOM 907 CG ASP A 62 23.984 20.968 -5.787 1.00 0.00 C ATOM 908 OD1 ASP A 62 25.223 20.807 -5.702 1.00 0.00 O ATOM 909 OD2 ASP A 62 23.477 21.986 -6.295 1.00 0.00 O ATOM 0 H ASP A 62 23.218 17.778 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 62 24.191 19.720 -3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 62 23.345 18.925 -5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 62 22.045 20.088 -5.561 1.00 0.00 H new ATOM 914 N GLY A 63 22.295 20.829 -1.750 1.00 0.00 N ATOM 915 CA GLY A 63 21.730 21.933 -0.999 1.00 0.00 C ATOM 916 C GLY A 63 20.344 21.632 -0.464 1.00 0.00 C ATOM 917 O GLY A 63 20.002 22.031 0.651 1.00 0.00 O ATOM 0 H GLY A 63 22.525 20.004 -1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.391 22.176 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 63 21.684 22.815 -1.638 1.00 0.00 H new ATOM 921 N ALA A 64 19.543 20.925 -1.250 1.00 0.00 N ATOM 922 CA ALA A 64 18.180 20.604 -0.848 1.00 0.00 C ATOM 923 C ALA A 64 18.148 19.324 -0.018 1.00 0.00 C ATOM 924 O ALA A 64 18.411 18.237 -0.526 1.00 0.00 O ATOM 925 CB ALA A 64 17.289 20.473 -2.073 1.00 0.00 C ATOM 0 H ALA A 64 19.812 20.564 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 64 17.801 21.417 -0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.273 20.233 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.286 21.414 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.668 19.678 -2.715 1.00 0.00 H new ATOM 931 N ALA A 65 17.832 19.463 1.263 1.00 0.00 N ATOM 932 CA ALA A 65 17.820 18.326 2.176 1.00 0.00 C ATOM 933 C ALA A 65 16.451 17.658 2.214 1.00 0.00 C ATOM 934 O ALA A 65 15.491 18.218 2.748 1.00 0.00 O ATOM 935 CB ALA A 65 18.232 18.772 3.573 1.00 0.00 C ATOM 0 H ALA A 65 17.580 20.352 1.694 1.00 0.00 H new ATOM 0 HA ALA A 65 18.538 17.592 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.220 17.915 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.237 19.193 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.534 19.528 3.934 1.00 0.00 H new ATOM 941 N PHE A 66 16.366 16.465 1.643 1.00 0.00 N ATOM 942 CA PHE A 66 15.126 15.703 1.641 1.00 0.00 C ATOM 943 C PHE A 66 15.239 14.512 2.581 1.00 0.00 C ATOM 944 O PHE A 66 16.142 13.686 2.445 1.00 0.00 O ATOM 945 CB PHE A 66 14.790 15.210 0.231 1.00 0.00 C ATOM 946 CG PHE A 66 14.628 16.310 -0.779 1.00 0.00 C ATOM 947 CD1 PHE A 66 13.520 17.140 -0.748 1.00 0.00 C ATOM 948 CD2 PHE A 66 15.582 16.507 -1.764 1.00 0.00 C ATOM 949 CE1 PHE A 66 13.367 18.149 -1.681 1.00 0.00 C ATOM 950 CE2 PHE A 66 15.435 17.512 -2.699 1.00 0.00 C ATOM 951 CZ PHE A 66 14.327 18.334 -2.658 1.00 0.00 C ATOM 0 H PHE A 66 17.145 16.003 1.173 1.00 0.00 H new ATOM 0 HA PHE A 66 14.326 16.361 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 66 15.578 14.536 -0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 66 13.869 14.629 0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 66 12.767 16.998 0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 66 16.451 15.867 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.499 18.791 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.186 17.655 -3.462 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.210 19.121 -3.389 1.00 0.00 H new ATOM 961 N HIS A 67 14.333 14.432 3.539 1.00 0.00 N ATOM 962 CA HIS A 67 14.308 13.314 4.474 1.00 0.00 C ATOM 963 C HIS A 67 13.766 12.072 3.778 1.00 0.00 C ATOM 964 O HIS A 67 12.629 12.066 3.306 1.00 0.00 O ATOM 965 CB HIS A 67 13.448 13.656 5.695 1.00 0.00 C ATOM 966 CG HIS A 67 13.899 14.886 6.423 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.364 16.139 6.223 1.00 0.00 N ATOM 968 CD2 HIS A 67 14.855 15.039 7.369 1.00 0.00 C ATOM 969 CE1 HIS A 67 13.997 16.994 7.032 1.00 0.00 C ATOM 970 NE2 HIS A 67 14.913 16.376 7.752 1.00 0.00 N ATOM 0 H HIS A 67 13.603 15.127 3.693 1.00 0.00 H new ATOM 0 HA HIS A 67 15.324 13.116 4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.415 13.792 5.374 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.459 12.812 6.384 1.00 0.00 H new ATOM 0 HD1 HIS A 67 12.615 16.374 5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.475 14.248 7.764 1.00 0.00 H new ATOM 0 HE1 HIS A 67 13.786 18.052 7.089 1.00 0.00 H new ATOM 978 N ILE A 68 14.576 11.030 3.701 1.00 0.00 N ATOM 979 CA ILE A 68 14.182 9.821 2.994 1.00 0.00 C ATOM 980 C ILE A 68 13.641 8.782 3.963 1.00 0.00 C ATOM 981 O ILE A 68 14.399 8.143 4.688 1.00 0.00 O ATOM 982 CB ILE A 68 15.347 9.215 2.180 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.871 10.237 1.170 1.00 0.00 C ATOM 984 CG2 ILE A 68 14.892 7.947 1.466 1.00 0.00 C ATOM 985 CD1 ILE A 68 16.990 9.712 0.299 1.00 0.00 C ATOM 0 H ILE A 68 15.507 10.995 4.117 1.00 0.00 H new ATOM 0 HA ILE A 68 13.397 10.108 2.294 1.00 0.00 H new ATOM 0 HB ILE A 68 16.154 8.955 2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 68 15.048 10.560 0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.223 11.118 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.724 7.532 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.555 7.216 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.072 8.185 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 68 17.310 10.492 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.831 9.416 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 68 16.637 8.849 -0.266 1.00 0.00 H new ATOM 997 N ASN A 69 12.321 8.643 3.959 1.00 0.00 N ATOM 998 CA ASN A 69 11.602 7.722 4.833 1.00 0.00 C ATOM 999 C ASN A 69 11.662 8.207 6.276 1.00 0.00 C ATOM 1000 O ASN A 69 12.617 7.929 7.001 1.00 0.00 O ATOM 1001 CB ASN A 69 12.136 6.289 4.712 1.00 0.00 C ATOM 1002 CG ASN A 69 11.145 5.268 5.232 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.932 5.485 5.180 1.00 0.00 O ATOM 1004 ND2 ASN A 69 11.649 4.145 5.723 1.00 0.00 N ATOM 0 H ASN A 69 11.710 9.175 3.339 1.00 0.00 H new ATOM 0 HA ASN A 69 10.560 7.704 4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.364 6.074 3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.070 6.202 5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.027 3.419 6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.659 4.007 5.747 1.00 0.00 H new ATOM 1011 N PHE A 70 10.638 8.962 6.664 1.00 0.00 N ATOM 1012 CA PHE A 70 10.567 9.574 7.989 1.00 0.00 C ATOM 1013 C PHE A 70 10.752 8.542 9.099 1.00 0.00 C ATOM 1014 O PHE A 70 9.928 7.643 9.276 1.00 0.00 O ATOM 1015 CB PHE A 70 9.226 10.298 8.159 1.00 0.00 C ATOM 1016 CG PHE A 70 9.045 10.938 9.508 1.00 0.00 C ATOM 1017 CD1 PHE A 70 9.697 12.120 9.823 1.00 0.00 C ATOM 1018 CD2 PHE A 70 8.221 10.359 10.461 1.00 0.00 C ATOM 1019 CE1 PHE A 70 9.531 12.711 11.061 1.00 0.00 C ATOM 1020 CE2 PHE A 70 8.051 10.945 11.700 1.00 0.00 C ATOM 1021 CZ PHE A 70 8.708 12.121 12.002 1.00 0.00 C ATOM 0 H PHE A 70 9.835 9.167 6.070 1.00 0.00 H new ATOM 0 HA PHE A 70 11.382 10.294 8.069 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.138 11.065 7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.417 9.587 7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.342 12.585 9.092 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.706 9.438 10.232 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.044 13.633 11.293 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.405 10.484 12.432 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.579 12.579 12.972 1.00 0.00 H new ATOM 1031 N GLY A 71 11.849 8.678 9.832 1.00 0.00 N ATOM 1032 CA GLY A 71 12.109 7.802 10.951 1.00 0.00 C ATOM 1033 C GLY A 71 11.920 8.506 12.277 1.00 0.00 C ATOM 1034 O GLY A 71 10.887 8.351 12.929 1.00 0.00 O ATOM 0 H GLY A 71 12.566 9.385 9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.443 6.941 10.900 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.128 7.421 10.884 1.00 0.00 H new ATOM 1038 N ALA A 72 12.910 9.289 12.676 1.00 0.00 N ATOM 1039 CA ALA A 72 12.857 9.998 13.948 1.00 0.00 C ATOM 1040 C ALA A 72 13.405 11.410 13.808 1.00 0.00 C ATOM 1041 O ALA A 72 14.216 11.682 12.921 1.00 0.00 O ATOM 1042 CB ALA A 72 13.632 9.234 15.011 1.00 0.00 C ATOM 0 H ALA A 72 13.761 9.451 12.138 1.00 0.00 H new ATOM 0 HA ALA A 72 11.813 10.068 14.255 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.584 9.775 15.956 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.196 8.243 15.138 1.00 0.00 H new ATOM 0 HB3 ALA A 72 14.673 9.135 14.702 1.00 0.00 H new ATOM 1048 N GLY A 73 12.960 12.306 14.680 1.00 0.00 N ATOM 1049 CA GLY A 73 13.435 13.676 14.652 1.00 0.00 C ATOM 1050 C GLY A 73 14.840 13.804 15.207 1.00 0.00 C ATOM 1051 O GLY A 73 15.216 13.081 16.129 1.00 0.00 O ATOM 0 H GLY A 73 12.275 12.107 15.409 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.416 14.045 13.627 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.759 14.306 15.230 1.00 0.00 H new ATOM 1055 N ILE A 74 15.614 14.732 14.657 1.00 0.00 N ATOM 1056 CA ILE A 74 17.002 14.913 15.064 1.00 0.00 C ATOM 1057 C ILE A 74 17.087 15.484 16.481 1.00 0.00 C ATOM 1058 O ILE A 74 18.056 15.245 17.205 1.00 0.00 O ATOM 1059 CB ILE A 74 17.766 15.831 14.076 1.00 0.00 C ATOM 1060 CG1 ILE A 74 19.271 15.794 14.361 1.00 0.00 C ATOM 1061 CG2 ILE A 74 17.244 17.261 14.151 1.00 0.00 C ATOM 1062 CD1 ILE A 74 20.098 16.590 13.373 1.00 0.00 C ATOM 0 H ILE A 74 15.303 15.372 13.926 1.00 0.00 H new ATOM 0 HA ILE A 74 17.474 13.930 15.053 1.00 0.00 H new ATOM 0 HB ILE A 74 17.596 15.458 13.066 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.451 16.179 15.365 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.608 14.757 14.351 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.795 17.887 13.449 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.184 17.275 13.896 1.00 0.00 H new ATOM 0 HG23 ILE A 74 17.379 17.645 15.162 1.00 0.00 H new ATOM 0 HD11 ILE A 74 21.153 16.517 13.639 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.948 16.192 12.369 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.789 17.635 13.399 1.00 0.00 H new ATOM 1074 N ASP A 75 16.051 16.211 16.889 1.00 0.00 N ATOM 1075 CA ASP A 75 16.028 16.831 18.209 1.00 0.00 C ATOM 1076 C ASP A 75 15.691 15.817 19.292 1.00 0.00 C ATOM 1077 O ASP A 75 15.819 16.101 20.481 1.00 0.00 O ATOM 1078 CB ASP A 75 15.048 18.003 18.258 1.00 0.00 C ATOM 1079 CG ASP A 75 15.563 19.213 17.508 1.00 0.00 C ATOM 1080 OD1 ASP A 75 16.702 19.650 17.784 1.00 0.00 O ATOM 1081 OD2 ASP A 75 14.841 19.732 16.633 1.00 0.00 O ATOM 0 H ASP A 75 15.219 16.385 16.326 1.00 0.00 H new ATOM 0 HA ASP A 75 17.030 17.215 18.400 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.093 17.694 17.833 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.861 18.274 19.297 1.00 0.00 H new ATOM 1086 N ASP A 76 15.274 14.630 18.878 1.00 0.00 N ATOM 1087 CA ASP A 76 15.012 13.549 19.820 1.00 0.00 C ATOM 1088 C ASP A 76 16.334 12.963 20.302 1.00 0.00 C ATOM 1089 O ASP A 76 16.453 12.489 21.432 1.00 0.00 O ATOM 1090 CB ASP A 76 14.157 12.462 19.163 1.00 0.00 C ATOM 1091 CG ASP A 76 13.808 11.337 20.117 1.00 0.00 C ATOM 1092 OD1 ASP A 76 12.780 11.444 20.815 1.00 0.00 O ATOM 1093 OD2 ASP A 76 14.552 10.338 20.162 1.00 0.00 O ATOM 0 H ASP A 76 15.110 14.390 17.900 1.00 0.00 H new ATOM 0 HA ASP A 76 14.463 13.946 20.674 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.238 12.908 18.782 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.692 12.053 18.306 1.00 0.00 H new ATOM 1098 N LEU A 77 17.342 13.046 19.439 1.00 0.00 N ATOM 1099 CA LEU A 77 18.670 12.520 19.736 1.00 0.00 C ATOM 1100 C LEU A 77 19.475 13.511 20.573 1.00 0.00 C ATOM 1101 O LEU A 77 20.594 13.217 20.995 1.00 0.00 O ATOM 1102 CB LEU A 77 19.418 12.218 18.434 1.00 0.00 C ATOM 1103 CG LEU A 77 18.729 11.220 17.502 1.00 0.00 C ATOM 1104 CD1 LEU A 77 19.489 11.102 16.192 1.00 0.00 C ATOM 1105 CD2 LEU A 77 18.610 9.858 18.172 1.00 0.00 C ATOM 0 H LEU A 77 17.262 13.478 18.518 1.00 0.00 H new ATOM 0 HA LEU A 77 18.551 11.600 20.308 1.00 0.00 H new ATOM 0 HB2 LEU A 77 19.565 13.153 17.893 1.00 0.00 H new ATOM 0 HB3 LEU A 77 20.407 11.834 18.683 1.00 0.00 H new ATOM 0 HG LEU A 77 17.726 11.588 17.287 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.984 10.388 15.542 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.525 12.076 15.703 1.00 0.00 H new ATOM 0 HD13 LEU A 77 20.504 10.758 16.390 1.00 0.00 H new ATOM 0 HD21 LEU A 77 18.117 9.161 17.494 1.00 0.00 H new ATOM 0 HD22 LEU A 77 19.604 9.485 18.417 1.00 0.00 H new ATOM 0 HD23 LEU A 77 18.023 9.952 19.086 1.00 0.00 H new ATOM 1117 N LYS A 78 18.900 14.683 20.814 1.00 0.00 N ATOM 1118 CA LYS A 78 19.577 15.727 21.577 1.00 0.00 C ATOM 1119 C LYS A 78 19.654 15.361 23.057 1.00 0.00 C ATOM 1120 O LYS A 78 20.438 15.941 23.808 1.00 0.00 O ATOM 1121 CB LYS A 78 18.851 17.066 21.418 1.00 0.00 C ATOM 1122 CG LYS A 78 18.830 17.597 19.992 1.00 0.00 C ATOM 1123 CD LYS A 78 20.225 17.935 19.492 1.00 0.00 C ATOM 1124 CE LYS A 78 20.183 18.576 18.113 1.00 0.00 C ATOM 1125 NZ LYS A 78 19.340 19.802 18.096 1.00 0.00 N ATOM 0 H LYS A 78 17.966 14.935 20.492 1.00 0.00 H new ATOM 0 HA LYS A 78 20.590 15.819 21.185 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.825 16.954 21.768 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.328 17.804 22.062 1.00 0.00 H new ATOM 0 HG2 LYS A 78 18.379 16.854 19.335 1.00 0.00 H new ATOM 0 HG3 LYS A 78 18.202 18.487 19.945 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.710 18.612 20.195 1.00 0.00 H new ATOM 0 HD3 LYS A 78 20.829 17.028 19.455 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.196 18.828 17.799 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.794 17.858 17.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.788 20.523 17.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.399 19.571 17.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.243 20.170 19.064 1.00 0.00 H new ATOM 1177 N ALA B 2 16.696 -2.638 -13.882 1.00 0.00 N ATOM 1178 CA ALA B 2 15.621 -1.721 -14.225 1.00 0.00 C ATOM 1179 C ALA B 2 14.356 -2.086 -13.461 1.00 0.00 C ATOM 1180 O ALA B 2 13.590 -2.955 -13.885 1.00 0.00 O ATOM 1181 CB ALA B 2 15.365 -1.731 -15.726 1.00 0.00 C ATOM 0 HA ALA B 2 15.920 -0.712 -13.940 1.00 0.00 H new ATOM 0 HB1 ALA B 2 14.557 -1.038 -15.962 1.00 0.00 H new ATOM 0 HB2 ALA B 2 16.270 -1.426 -16.251 1.00 0.00 H new ATOM 0 HB3 ALA B 2 15.085 -2.736 -16.041 1.00 0.00 H new ATOM 1187 N SER B 3 14.153 -1.443 -12.323 1.00 0.00 N ATOM 1188 CA SER B 3 13.018 -1.752 -11.467 1.00 0.00 C ATOM 1189 C SER B 3 11.958 -0.649 -11.515 1.00 0.00 C ATOM 1190 O SER B 3 12.192 0.441 -12.044 1.00 0.00 O ATOM 1191 CB SER B 3 13.489 -1.974 -10.026 1.00 0.00 C ATOM 1192 OG SER B 3 14.371 -3.084 -9.944 1.00 0.00 O ATOM 0 H SER B 3 14.760 -0.703 -11.970 1.00 0.00 H new ATOM 0 HA SER B 3 12.559 -2.668 -11.840 1.00 0.00 H new ATOM 0 HB2 SER B 3 13.992 -1.078 -9.662 1.00 0.00 H new ATOM 0 HB3 SER B 3 12.627 -2.141 -9.380 1.00 0.00 H new ATOM 0 HG SER B 3 14.659 -3.205 -9.015 1.00 0.00 H new ATOM 1198 N LYS B 4 10.791 -0.962 -10.968 1.00 0.00 N ATOM 1199 CA LYS B 4 9.656 -0.048 -10.937 1.00 0.00 C ATOM 1200 C LYS B 4 9.793 0.951 -9.789 1.00 0.00 C ATOM 1201 O LYS B 4 9.889 0.560 -8.623 1.00 0.00 O ATOM 1202 CB LYS B 4 8.375 -0.865 -10.762 1.00 0.00 C ATOM 1203 CG LYS B 4 7.090 -0.080 -10.940 1.00 0.00 C ATOM 1204 CD LYS B 4 5.890 -0.926 -10.546 1.00 0.00 C ATOM 1205 CE LYS B 4 4.600 -0.395 -11.145 1.00 0.00 C ATOM 1206 NZ LYS B 4 4.642 -0.411 -12.630 1.00 0.00 N ATOM 0 H LYS B 4 10.604 -1.864 -10.530 1.00 0.00 H new ATOM 0 HA LYS B 4 9.622 0.513 -11.871 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.384 -1.687 -11.478 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.378 -1.310 -9.767 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.121 0.823 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS B 4 6.993 0.239 -11.978 1.00 0.00 H new ATOM 0 HD2 LYS B 4 6.047 -1.953 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.803 -0.949 -9.460 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.761 -0.998 -10.797 1.00 0.00 H new ATOM 0 HE3 LYS B 4 4.428 0.623 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.729 -0.744 -13.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.828 0.550 -12.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 5.398 -1.049 -12.949 1.00 0.00 H new ATOM 1220 N ALA B 5 9.799 2.234 -10.117 1.00 0.00 N ATOM 1221 CA ALA B 5 9.903 3.281 -9.111 1.00 0.00 C ATOM 1222 C ALA B 5 8.684 4.193 -9.165 1.00 0.00 C ATOM 1223 O ALA B 5 8.521 4.971 -10.102 1.00 0.00 O ATOM 1224 CB ALA B 5 11.181 4.083 -9.309 1.00 0.00 C ATOM 0 H ALA B 5 9.733 2.576 -11.076 1.00 0.00 H new ATOM 0 HA ALA B 5 9.940 2.814 -8.127 1.00 0.00 H new ATOM 0 HB1 ALA B 5 11.243 4.862 -8.549 1.00 0.00 H new ATOM 0 HB2 ALA B 5 12.043 3.421 -9.222 1.00 0.00 H new ATOM 0 HB3 ALA B 5 11.173 4.541 -10.298 1.00 0.00 H new ATOM 1230 N ILE B 6 7.823 4.092 -8.169 1.00 0.00 N ATOM 1231 CA ILE B 6 6.588 4.863 -8.158 1.00 0.00 C ATOM 1232 C ILE B 6 6.731 6.094 -7.268 1.00 0.00 C ATOM 1233 O ILE B 6 7.255 6.011 -6.159 1.00 0.00 O ATOM 1234 CB ILE B 6 5.394 4.014 -7.670 1.00 0.00 C ATOM 1235 CG1 ILE B 6 5.354 2.674 -8.412 1.00 0.00 C ATOM 1236 CG2 ILE B 6 4.089 4.773 -7.882 1.00 0.00 C ATOM 1237 CD1 ILE B 6 4.268 1.740 -7.922 1.00 0.00 C ATOM 0 H ILE B 6 7.953 3.486 -7.359 1.00 0.00 H new ATOM 0 HA ILE B 6 6.394 5.176 -9.184 1.00 0.00 H new ATOM 0 HB ILE B 6 5.517 3.818 -6.605 1.00 0.00 H new ATOM 0 HG12 ILE B 6 5.207 2.862 -9.476 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.320 2.181 -8.306 1.00 0.00 H new ATOM 0 HG21 ILE B 6 3.254 4.165 -7.534 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.116 5.707 -7.321 1.00 0.00 H new ATOM 0 HG23 ILE B 6 3.963 4.990 -8.943 1.00 0.00 H new ATOM 0 HD11 ILE B 6 4.301 0.812 -8.493 1.00 0.00 H new ATOM 0 HD12 ILE B 6 4.425 1.521 -6.866 1.00 0.00 H new ATOM 0 HD13 ILE B 6 3.295 2.213 -8.054 1.00 0.00 H new ATOM 1249 N PHE B 7 6.270 7.233 -7.760 1.00 0.00 N ATOM 1250 CA PHE B 7 6.363 8.479 -7.016 1.00 0.00 C ATOM 1251 C PHE B 7 4.968 9.034 -6.740 1.00 0.00 C ATOM 1252 O PHE B 7 4.311 9.553 -7.639 1.00 0.00 O ATOM 1253 CB PHE B 7 7.197 9.498 -7.804 1.00 0.00 C ATOM 1254 CG PHE B 7 7.493 10.772 -7.056 1.00 0.00 C ATOM 1255 CD1 PHE B 7 6.627 11.852 -7.126 1.00 0.00 C ATOM 1256 CD2 PHE B 7 8.641 10.889 -6.292 1.00 0.00 C ATOM 1257 CE1 PHE B 7 6.900 13.022 -6.448 1.00 0.00 C ATOM 1258 CE2 PHE B 7 8.921 12.058 -5.612 1.00 0.00 C ATOM 1259 CZ PHE B 7 8.049 13.126 -5.688 1.00 0.00 C ATOM 0 H PHE B 7 5.826 7.320 -8.674 1.00 0.00 H new ATOM 0 HA PHE B 7 6.854 8.286 -6.062 1.00 0.00 H new ATOM 0 HB2 PHE B 7 8.140 9.033 -8.092 1.00 0.00 H new ATOM 0 HB3 PHE B 7 6.670 9.746 -8.725 1.00 0.00 H new ATOM 0 HD1 PHE B 7 5.727 11.777 -7.719 1.00 0.00 H new ATOM 0 HD2 PHE B 7 9.326 10.056 -6.227 1.00 0.00 H new ATOM 0 HE1 PHE B 7 6.216 13.856 -6.511 1.00 0.00 H new ATOM 0 HE2 PHE B 7 9.822 12.137 -5.021 1.00 0.00 H new ATOM 0 HZ PHE B 7 8.265 14.040 -5.155 1.00 0.00 H new ATOM 1269 N TYR B 8 4.515 8.909 -5.502 1.00 0.00 N ATOM 1270 CA TYR B 8 3.204 9.420 -5.118 1.00 0.00 C ATOM 1271 C TYR B 8 3.335 10.812 -4.520 1.00 0.00 C ATOM 1272 O TYR B 8 4.223 11.053 -3.705 1.00 0.00 O ATOM 1273 CB TYR B 8 2.533 8.501 -4.090 1.00 0.00 C ATOM 1274 CG TYR B 8 2.034 7.185 -4.642 1.00 0.00 C ATOM 1275 CD1 TYR B 8 0.827 7.114 -5.326 1.00 0.00 C ATOM 1276 CD2 TYR B 8 2.753 6.011 -4.455 1.00 0.00 C ATOM 1277 CE1 TYR B 8 0.353 5.911 -5.813 1.00 0.00 C ATOM 1278 CE2 TYR B 8 2.286 4.804 -4.942 1.00 0.00 C ATOM 1279 CZ TYR B 8 1.085 4.759 -5.617 1.00 0.00 C ATOM 1280 OH TYR B 8 0.616 3.559 -6.097 1.00 0.00 O ATOM 0 H TYR B 8 5.033 8.460 -4.746 1.00 0.00 H new ATOM 0 HA TYR B 8 2.589 9.458 -6.017 1.00 0.00 H new ATOM 0 HB2 TYR B 8 3.243 8.296 -3.289 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.693 9.033 -3.643 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.250 8.014 -5.480 1.00 0.00 H new ATOM 0 HD2 TYR B 8 3.691 6.042 -3.921 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -0.586 5.873 -6.345 1.00 0.00 H new ATOM 0 HE2 TYR B 8 2.860 3.901 -4.794 1.00 0.00 H new ATOM 0 HH TYR B 8 -0.011 3.723 -6.832 1.00 0.00 H new ATOM 1290 N HIS B 9 2.459 11.726 -4.918 1.00 0.00 N ATOM 1291 CA HIS B 9 2.442 13.057 -4.326 1.00 0.00 C ATOM 1292 C HIS B 9 1.027 13.633 -4.324 1.00 0.00 C ATOM 1293 O HIS B 9 0.177 13.206 -5.103 1.00 0.00 O ATOM 1294 CB HIS B 9 3.425 13.992 -5.037 1.00 0.00 C ATOM 1295 CG HIS B 9 3.069 14.345 -6.447 1.00 0.00 C ATOM 1296 ND1 HIS B 9 2.645 15.607 -6.774 1.00 0.00 N ATOM 1297 CD2 HIS B 9 3.132 13.592 -7.570 1.00 0.00 C ATOM 1298 CE1 HIS B 9 2.467 15.596 -8.082 1.00 0.00 C ATOM 1299 NE2 HIS B 9 2.747 14.397 -8.608 1.00 0.00 N ATOM 0 H HIS B 9 1.757 11.572 -5.642 1.00 0.00 H new ATOM 0 HA HIS B 9 2.767 12.969 -3.289 1.00 0.00 H new ATOM 0 HB2 HIS B 9 3.507 14.913 -4.459 1.00 0.00 H new ATOM 0 HB3 HIS B 9 4.410 13.526 -5.035 1.00 0.00 H new ATOM 0 HD2 HIS B 9 3.429 12.556 -7.635 1.00 0.00 H new ATOM 0 HE1 HIS B 9 2.136 16.449 -8.657 1.00 0.00 H new ATOM 0 HE2 HIS B 9 2.685 14.134 -9.592 1.00 0.00 H new ATOM 1307 N ALA B 10 0.777 14.594 -3.438 1.00 0.00 N ATOM 1308 CA ALA B 10 -0.578 15.092 -3.214 1.00 0.00 C ATOM 1309 C ALA B 10 -0.806 16.487 -3.795 1.00 0.00 C ATOM 1310 O ALA B 10 -1.758 16.694 -4.543 1.00 0.00 O ATOM 1311 CB ALA B 10 -0.897 15.089 -1.729 1.00 0.00 C ATOM 0 H ALA B 10 1.492 15.042 -2.865 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.252 14.416 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -1.909 15.462 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -0.822 14.073 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -0.189 15.730 -1.204 1.00 0.00 H new ATOM 1317 N GLY B 11 0.046 17.448 -3.444 1.00 0.00 N ATOM 1318 CA GLY B 11 -0.177 18.806 -3.882 1.00 0.00 C ATOM 1319 C GLY B 11 0.855 19.264 -4.883 1.00 0.00 C ATOM 1320 O GLY B 11 0.907 18.763 -6.007 1.00 0.00 O ATOM 0 H GLY B 11 0.877 17.308 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -1.169 18.883 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -0.162 19.471 -3.018 1.00 0.00 H new ATOM 1324 N CYS B 12 1.697 20.196 -4.462 1.00 0.00 N ATOM 1325 CA CYS B 12 2.687 20.787 -5.359 1.00 0.00 C ATOM 1326 C CYS B 12 3.977 21.200 -4.628 1.00 0.00 C ATOM 1327 O CYS B 12 5.024 20.618 -4.892 1.00 0.00 O ATOM 1328 CB CYS B 12 2.100 21.979 -6.139 1.00 0.00 C ATOM 1329 SG CYS B 12 0.766 21.545 -7.281 1.00 0.00 S ATOM 0 H CYS B 12 1.717 20.560 -3.509 1.00 0.00 H new ATOM 0 HA CYS B 12 2.957 20.008 -6.072 1.00 0.00 H new ATOM 0 HB2 CYS B 12 1.726 22.714 -5.427 1.00 0.00 H new ATOM 0 HB3 CYS B 12 2.901 22.459 -6.702 1.00 0.00 H new ATOM 0 HG CYS B 12 0.462 20.290 -7.136 1.00 0.00 H new ATOM 1335 N PRO B 13 3.945 22.167 -3.675 1.00 0.00 N ATOM 1336 CA PRO B 13 5.181 22.765 -3.130 1.00 0.00 C ATOM 1337 C PRO B 13 6.135 21.734 -2.525 1.00 0.00 C ATOM 1338 O PRO B 13 7.313 21.679 -2.881 1.00 0.00 O ATOM 1339 CB PRO B 13 4.678 23.727 -2.048 1.00 0.00 C ATOM 1340 CG PRO B 13 3.264 24.006 -2.417 1.00 0.00 C ATOM 1341 CD PRO B 13 2.746 22.733 -3.020 1.00 0.00 C ATOM 0 HA PRO B 13 5.761 23.249 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO B 13 4.747 23.279 -1.057 1.00 0.00 H new ATOM 0 HB3 PRO B 13 5.269 24.642 -2.026 1.00 0.00 H new ATOM 0 HG2 PRO B 13 2.680 24.292 -1.542 1.00 0.00 H new ATOM 0 HG3 PRO B 13 3.199 24.831 -3.127 1.00 0.00 H new ATOM 0 HD2 PRO B 13 2.344 22.061 -2.262 1.00 0.00 H new ATOM 0 HD3 PRO B 13 1.945 22.921 -3.735 1.00 0.00 H new ATOM 1349 N VAL B 14 5.617 20.914 -1.622 1.00 0.00 N ATOM 1350 CA VAL B 14 6.423 19.902 -0.946 1.00 0.00 C ATOM 1351 C VAL B 14 6.948 18.844 -1.920 1.00 0.00 C ATOM 1352 O VAL B 14 8.102 18.423 -1.832 1.00 0.00 O ATOM 1353 CB VAL B 14 5.606 19.210 0.171 1.00 0.00 C ATOM 1354 CG1 VAL B 14 6.353 18.014 0.745 1.00 0.00 C ATOM 1355 CG2 VAL B 14 5.266 20.201 1.273 1.00 0.00 C ATOM 0 H VAL B 14 4.637 20.928 -1.338 1.00 0.00 H new ATOM 0 HA VAL B 14 7.278 20.418 -0.508 1.00 0.00 H new ATOM 0 HB VAL B 14 4.679 18.845 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL B 14 5.752 17.551 1.527 1.00 0.00 H new ATOM 0 HG12 VAL B 14 6.541 17.288 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL B 14 7.302 18.346 1.166 1.00 0.00 H new ATOM 0 HG21 VAL B 14 4.691 19.698 2.050 1.00 0.00 H new ATOM 0 HG22 VAL B 14 6.186 20.598 1.702 1.00 0.00 H new ATOM 0 HG23 VAL B 14 4.677 21.019 0.858 1.00 0.00 H new ATOM 1365 N CYS B 15 6.113 18.436 -2.857 1.00 0.00 N ATOM 1366 CA CYS B 15 6.413 17.267 -3.671 1.00 0.00 C ATOM 1367 C CYS B 15 7.116 17.603 -4.986 1.00 0.00 C ATOM 1368 O CYS B 15 8.043 16.902 -5.373 1.00 0.00 O ATOM 1369 CB CYS B 15 5.138 16.482 -3.929 1.00 0.00 C ATOM 1370 SG CYS B 15 3.736 17.490 -4.457 1.00 0.00 S ATOM 0 H CYS B 15 5.227 18.891 -3.075 1.00 0.00 H new ATOM 0 HA CYS B 15 7.117 16.658 -3.104 1.00 0.00 H new ATOM 0 HB2 CYS B 15 5.337 15.730 -4.692 1.00 0.00 H new ATOM 0 HB3 CYS B 15 4.864 15.948 -3.019 1.00 0.00 H new ATOM 0 HG CYS B 15 3.200 16.966 -5.519 1.00 0.00 H new ATOM 1376 N VAL B 16 6.690 18.665 -5.669 1.00 0.00 N ATOM 1377 CA VAL B 16 7.238 18.996 -6.987 1.00 0.00 C ATOM 1378 C VAL B 16 8.741 19.265 -6.922 1.00 0.00 C ATOM 1379 O VAL B 16 9.490 18.874 -7.821 1.00 0.00 O ATOM 1380 CB VAL B 16 6.519 20.209 -7.625 1.00 0.00 C ATOM 1381 CG1 VAL B 16 7.194 20.626 -8.924 1.00 0.00 C ATOM 1382 CG2 VAL B 16 5.056 19.882 -7.881 1.00 0.00 C ATOM 0 H VAL B 16 5.972 19.308 -5.336 1.00 0.00 H new ATOM 0 HA VAL B 16 7.066 18.123 -7.617 1.00 0.00 H new ATOM 0 HB VAL B 16 6.581 21.042 -6.925 1.00 0.00 H new ATOM 0 HG11 VAL B 16 6.668 21.480 -9.350 1.00 0.00 H new ATOM 0 HG12 VAL B 16 8.230 20.901 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.169 19.796 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL B 16 4.564 20.745 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL B 16 4.987 19.031 -8.559 1.00 0.00 H new ATOM 0 HG23 VAL B 16 4.568 19.635 -6.938 1.00 0.00 H new ATOM 1392 N SER B 17 9.181 19.915 -5.853 1.00 0.00 N ATOM 1393 CA SER B 17 10.600 20.178 -5.661 1.00 0.00 C ATOM 1394 C SER B 17 11.382 18.863 -5.571 1.00 0.00 C ATOM 1395 O SER B 17 12.421 18.697 -6.217 1.00 0.00 O ATOM 1396 CB SER B 17 10.806 21.028 -4.404 1.00 0.00 C ATOM 1397 OG SER B 17 10.073 22.242 -4.491 1.00 0.00 O ATOM 0 H SER B 17 8.579 20.268 -5.109 1.00 0.00 H new ATOM 0 HA SER B 17 10.979 20.733 -6.519 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.488 20.468 -3.525 1.00 0.00 H new ATOM 0 HB3 SER B 17 11.866 21.246 -4.277 1.00 0.00 H new ATOM 0 HG SER B 17 9.225 22.147 -4.009 1.00 0.00 H new ATOM 1403 N ALA B 18 10.858 17.919 -4.797 1.00 0.00 N ATOM 1404 CA ALA B 18 11.477 16.605 -4.665 1.00 0.00 C ATOM 1405 C ALA B 18 11.357 15.825 -5.970 1.00 0.00 C ATOM 1406 O ALA B 18 12.270 15.100 -6.358 1.00 0.00 O ATOM 1407 CB ALA B 18 10.841 15.829 -3.522 1.00 0.00 C ATOM 0 H ALA B 18 10.005 18.039 -4.251 1.00 0.00 H new ATOM 0 HA ALA B 18 12.535 16.744 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA B 18 11.315 14.851 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.975 16.378 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.776 15.701 -3.717 1.00 0.00 H new ATOM 1413 N GLU B 19 10.222 15.996 -6.637 1.00 0.00 N ATOM 1414 CA GLU B 19 9.952 15.359 -7.919 1.00 0.00 C ATOM 1415 C GLU B 19 11.053 15.685 -8.920 1.00 0.00 C ATOM 1416 O GLU B 19 11.713 14.793 -9.447 1.00 0.00 O ATOM 1417 CB GLU B 19 8.598 15.839 -8.459 1.00 0.00 C ATOM 1418 CG GLU B 19 8.179 15.189 -9.767 1.00 0.00 C ATOM 1419 CD GLU B 19 6.974 15.866 -10.394 1.00 0.00 C ATOM 1420 OE1 GLU B 19 5.842 15.645 -9.924 1.00 0.00 O ATOM 1421 OE2 GLU B 19 7.157 16.628 -11.369 1.00 0.00 O ATOM 0 H GLU B 19 9.459 16.584 -6.301 1.00 0.00 H new ATOM 0 HA GLU B 19 9.923 14.279 -7.775 1.00 0.00 H new ATOM 0 HB2 GLU B 19 7.832 15.645 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU B 19 8.639 16.919 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU B 19 9.014 15.219 -10.467 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.950 14.138 -9.589 1.00 0.00 H new ATOM 1428 N GLN B 20 11.269 16.973 -9.148 1.00 0.00 N ATOM 1429 CA GLN B 20 12.233 17.424 -10.141 1.00 0.00 C ATOM 1430 C GLN B 20 13.670 17.160 -9.698 1.00 0.00 C ATOM 1431 O GLN B 20 14.576 17.111 -10.524 1.00 0.00 O ATOM 1432 CB GLN B 20 12.037 18.910 -10.433 1.00 0.00 C ATOM 1433 CG GLN B 20 10.675 19.237 -11.021 1.00 0.00 C ATOM 1434 CD GLN B 20 10.496 20.718 -11.271 1.00 0.00 C ATOM 1435 OE1 GLN B 20 11.069 21.548 -10.569 1.00 0.00 O ATOM 1436 NE2 GLN B 20 9.694 21.062 -12.264 1.00 0.00 N ATOM 0 H GLN B 20 10.788 17.726 -8.657 1.00 0.00 H new ATOM 0 HA GLN B 20 12.057 16.852 -11.052 1.00 0.00 H new ATOM 0 HB2 GLN B 20 12.171 19.474 -9.510 1.00 0.00 H new ATOM 0 HB3 GLN B 20 12.812 19.242 -11.124 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.547 18.695 -11.958 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.896 18.889 -10.342 1.00 0.00 H new ATOM 0 HE21 GLN B 20 9.237 20.342 -12.823 1.00 0.00 H new ATOM 0 HE22 GLN B 20 9.532 22.048 -12.471 1.00 0.00 H new ATOM 1445 N ALA B 21 13.883 16.997 -8.401 1.00 0.00 N ATOM 1446 CA ALA B 21 15.215 16.693 -7.899 1.00 0.00 C ATOM 1447 C ALA B 21 15.531 15.204 -8.041 1.00 0.00 C ATOM 1448 O ALA B 21 16.493 14.824 -8.708 1.00 0.00 O ATOM 1449 CB ALA B 21 15.355 17.130 -6.448 1.00 0.00 C ATOM 0 H ALA B 21 13.161 17.069 -7.684 1.00 0.00 H new ATOM 0 HA ALA B 21 15.934 17.250 -8.500 1.00 0.00 H new ATOM 0 HB1 ALA B 21 16.358 16.894 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA B 21 15.187 18.204 -6.374 1.00 0.00 H new ATOM 0 HB3 ALA B 21 14.620 16.605 -5.837 1.00 0.00 H new ATOM 1455 N VAL B 22 14.697 14.364 -7.440 1.00 0.00 N ATOM 1456 CA VAL B 22 14.963 12.931 -7.383 1.00 0.00 C ATOM 1457 C VAL B 22 14.792 12.268 -8.750 1.00 0.00 C ATOM 1458 O VAL B 22 15.587 11.408 -9.129 1.00 0.00 O ATOM 1459 CB VAL B 22 14.057 12.229 -6.347 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.417 10.757 -6.224 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.161 12.915 -4.992 1.00 0.00 C ATOM 0 H VAL B 22 13.830 14.650 -6.985 1.00 0.00 H new ATOM 0 HA VAL B 22 16.002 12.820 -7.073 1.00 0.00 H new ATOM 0 HB VAL B 22 13.026 12.302 -6.694 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.766 10.283 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL B 22 14.289 10.269 -7.190 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.455 10.662 -5.904 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.516 12.406 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.193 12.876 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL B 22 13.849 13.955 -5.086 1.00 0.00 H new ATOM 1471 N ALA B 23 13.778 12.685 -9.505 1.00 0.00 N ATOM 1472 CA ALA B 23 13.503 12.078 -10.806 1.00 0.00 C ATOM 1473 C ALA B 23 14.528 12.512 -11.854 1.00 0.00 C ATOM 1474 O ALA B 23 14.556 11.983 -12.963 1.00 0.00 O ATOM 1475 CB ALA B 23 12.094 12.411 -11.269 1.00 0.00 C ATOM 0 H ALA B 23 13.138 13.434 -9.242 1.00 0.00 H new ATOM 0 HA ALA B 23 13.583 10.997 -10.688 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.911 11.949 -12.239 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.374 12.031 -10.545 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.985 13.492 -11.356 1.00 0.00 H new ATOM 1481 N ASN B 24 15.355 13.488 -11.501 1.00 0.00 N ATOM 1482 CA ASN B 24 16.452 13.911 -12.366 1.00 0.00 C ATOM 1483 C ASN B 24 17.778 13.395 -11.826 1.00 0.00 C ATOM 1484 O ASN B 24 18.816 13.487 -12.484 1.00 0.00 O ATOM 1485 CB ASN B 24 16.487 15.437 -12.503 1.00 0.00 C ATOM 1486 CG ASN B 24 15.493 15.956 -13.528 1.00 0.00 C ATOM 1487 OD1 ASN B 24 15.212 15.298 -14.531 1.00 0.00 O ATOM 1488 ND2 ASN B 24 14.949 17.138 -13.286 1.00 0.00 N ATOM 0 H ASN B 24 15.288 14.002 -10.623 1.00 0.00 H new ATOM 0 HA ASN B 24 16.287 13.487 -13.357 1.00 0.00 H new ATOM 0 HB2 ASN B 24 16.274 15.890 -11.535 1.00 0.00 H new ATOM 0 HB3 ASN B 24 17.492 15.749 -12.787 1.00 0.00 H new ATOM 0 HD21 ASN B 24 14.273 17.532 -13.941 1.00 0.00 H new ATOM 0 HD22 ASN B 24 15.205 17.655 -12.445 1.00 0.00 H new ATOM 1495 N ALA B 25 17.736 12.858 -10.613 1.00 0.00 N ATOM 1496 CA ALA B 25 18.903 12.234 -10.012 1.00 0.00 C ATOM 1497 C ALA B 25 18.982 10.767 -10.416 1.00 0.00 C ATOM 1498 O ALA B 25 20.068 10.208 -10.562 1.00 0.00 O ATOM 1499 CB ALA B 25 18.859 12.367 -8.498 1.00 0.00 C ATOM 0 H ALA B 25 16.902 12.843 -10.026 1.00 0.00 H new ATOM 0 HA ALA B 25 19.795 12.744 -10.375 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.741 11.894 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA B 25 18.843 13.422 -8.226 1.00 0.00 H new ATOM 0 HB3 ALA B 25 17.962 11.880 -8.116 1.00 0.00 H new ATOM 1505 N ILE B 26 17.823 10.155 -10.598 1.00 0.00 N ATOM 1506 CA ILE B 26 17.747 8.769 -11.032 1.00 0.00 C ATOM 1507 C ILE B 26 17.339 8.702 -12.499 1.00 0.00 C ATOM 1508 O ILE B 26 16.384 9.355 -12.913 1.00 0.00 O ATOM 1509 CB ILE B 26 16.735 7.964 -10.183 1.00 0.00 C ATOM 1510 CG1 ILE B 26 17.123 8.019 -8.702 1.00 0.00 C ATOM 1511 CG2 ILE B 26 16.663 6.519 -10.659 1.00 0.00 C ATOM 1512 CD1 ILE B 26 16.145 7.313 -7.785 1.00 0.00 C ATOM 0 H ILE B 26 16.917 10.599 -10.451 1.00 0.00 H new ATOM 0 HA ILE B 26 18.735 8.327 -10.901 1.00 0.00 H new ATOM 0 HB ILE B 26 15.749 8.414 -10.304 1.00 0.00 H new ATOM 0 HG12 ILE B 26 18.110 7.572 -8.578 1.00 0.00 H new ATOM 0 HG13 ILE B 26 17.205 9.062 -8.396 1.00 0.00 H new ATOM 0 HG21 ILE B 26 15.946 5.970 -10.049 1.00 0.00 H new ATOM 0 HG22 ILE B 26 16.346 6.495 -11.702 1.00 0.00 H new ATOM 0 HG23 ILE B 26 17.646 6.056 -10.568 1.00 0.00 H new ATOM 0 HD11 ILE B 26 16.488 7.396 -6.754 1.00 0.00 H new ATOM 0 HD12 ILE B 26 15.162 7.774 -7.878 1.00 0.00 H new ATOM 0 HD13 ILE B 26 16.081 6.261 -8.063 1.00 0.00 H new ATOM 1524 N ASP B 27 18.080 7.929 -13.284 1.00 0.00 N ATOM 1525 CA ASP B 27 17.775 7.762 -14.700 1.00 0.00 C ATOM 1526 C ASP B 27 16.456 7.025 -14.881 1.00 0.00 C ATOM 1527 O ASP B 27 16.258 5.955 -14.309 1.00 0.00 O ATOM 1528 CB ASP B 27 18.880 6.980 -15.414 1.00 0.00 C ATOM 1529 CG ASP B 27 20.203 7.710 -15.434 1.00 0.00 C ATOM 1530 OD1 ASP B 27 20.993 7.545 -14.484 1.00 0.00 O ATOM 1531 OD2 ASP B 27 20.473 8.440 -16.409 1.00 0.00 O ATOM 0 H ASP B 27 18.896 7.408 -12.964 1.00 0.00 H new ATOM 0 HA ASP B 27 17.702 8.758 -15.136 1.00 0.00 H new ATOM 0 HB2 ASP B 27 19.011 6.016 -14.922 1.00 0.00 H new ATOM 0 HB3 ASP B 27 18.569 6.776 -16.438 1.00 0.00 H new ATOM 1536 N PRO B 28 15.543 7.581 -15.693 1.00 0.00 N ATOM 1537 CA PRO B 28 14.260 6.937 -16.000 1.00 0.00 C ATOM 1538 C PRO B 28 14.451 5.617 -16.741 1.00 0.00 C ATOM 1539 O PRO B 28 13.566 4.759 -16.752 1.00 0.00 O ATOM 1540 CB PRO B 28 13.542 7.955 -16.895 1.00 0.00 C ATOM 1541 CG PRO B 28 14.248 9.246 -16.664 1.00 0.00 C ATOM 1542 CD PRO B 28 15.672 8.888 -16.354 1.00 0.00 C ATOM 0 HA PRO B 28 13.702 6.688 -15.097 1.00 0.00 H new ATOM 0 HB2 PRO B 28 13.592 7.661 -17.944 1.00 0.00 H new ATOM 0 HB3 PRO B 28 12.486 8.032 -16.635 1.00 0.00 H new ATOM 0 HG2 PRO B 28 14.189 9.886 -17.544 1.00 0.00 H new ATOM 0 HG3 PRO B 28 13.795 9.796 -15.839 1.00 0.00 H new ATOM 0 HD2 PRO B 28 16.279 8.826 -17.257 1.00 0.00 H new ATOM 0 HD3 PRO B 28 16.142 9.626 -15.704 1.00 0.00 H new ATOM 1550 N SER B 29 15.611 5.472 -17.370 1.00 0.00 N ATOM 1551 CA SER B 29 15.976 4.235 -18.039 1.00 0.00 C ATOM 1552 C SER B 29 16.430 3.198 -17.015 1.00 0.00 C ATOM 1553 O SER B 29 16.170 2.005 -17.163 1.00 0.00 O ATOM 1554 CB SER B 29 17.099 4.500 -19.041 1.00 0.00 C ATOM 1555 OG SER B 29 16.770 5.582 -19.897 1.00 0.00 O ATOM 0 H SER B 29 16.319 6.204 -17.429 1.00 0.00 H new ATOM 0 HA SER B 29 15.105 3.850 -18.569 1.00 0.00 H new ATOM 0 HB2 SER B 29 18.023 4.722 -18.507 1.00 0.00 H new ATOM 0 HB3 SER B 29 17.281 3.604 -19.635 1.00 0.00 H new ATOM 0 HG SER B 29 17.504 5.734 -20.528 1.00 0.00 H new ATOM 1561 N LYS B 30 17.101 3.677 -15.971 1.00 0.00 N ATOM 1562 CA LYS B 30 17.631 2.815 -14.923 1.00 0.00 C ATOM 1563 C LYS B 30 16.490 2.300 -14.055 1.00 0.00 C ATOM 1564 O LYS B 30 16.390 1.109 -13.778 1.00 0.00 O ATOM 1565 CB LYS B 30 18.636 3.594 -14.073 1.00 0.00 C ATOM 1566 CG LYS B 30 19.381 2.748 -13.056 1.00 0.00 C ATOM 1567 CD LYS B 30 20.198 3.623 -12.121 1.00 0.00 C ATOM 1568 CE LYS B 30 20.997 2.799 -11.127 1.00 0.00 C ATOM 1569 NZ LYS B 30 22.084 2.029 -11.783 1.00 0.00 N ATOM 0 H LYS B 30 17.291 4.669 -15.829 1.00 0.00 H new ATOM 0 HA LYS B 30 18.139 1.964 -15.376 1.00 0.00 H new ATOM 0 HB2 LYS B 30 19.361 4.070 -14.733 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.110 4.392 -13.549 1.00 0.00 H new ATOM 0 HG2 LYS B 30 18.671 2.156 -12.479 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.037 2.046 -13.571 1.00 0.00 H new ATOM 0 HD2 LYS B 30 20.876 4.244 -12.706 1.00 0.00 H new ATOM 0 HD3 LYS B 30 19.533 4.298 -11.582 1.00 0.00 H new ATOM 0 HE2 LYS B 30 21.426 3.458 -10.372 1.00 0.00 H new ATOM 0 HE3 LYS B 30 20.329 2.112 -10.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 21.978 1.019 -11.559 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 22.032 2.163 -12.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 23.005 2.365 -11.437 1.00 0.00 H new ATOM 1583 N TYR B 31 15.636 3.213 -13.628 1.00 0.00 N ATOM 1584 CA TYR B 31 14.440 2.858 -12.885 1.00 0.00 C ATOM 1585 C TYR B 31 13.248 3.577 -13.488 1.00 0.00 C ATOM 1586 O TYR B 31 13.297 4.785 -13.715 1.00 0.00 O ATOM 1587 CB TYR B 31 14.582 3.213 -11.400 1.00 0.00 C ATOM 1588 CG TYR B 31 15.644 2.413 -10.680 1.00 0.00 C ATOM 1589 CD1 TYR B 31 15.428 1.085 -10.340 1.00 0.00 C ATOM 1590 CD2 TYR B 31 16.863 2.986 -10.346 1.00 0.00 C ATOM 1591 CE1 TYR B 31 16.400 0.349 -9.687 1.00 0.00 C ATOM 1592 CE2 TYR B 31 17.839 2.257 -9.695 1.00 0.00 C ATOM 1593 CZ TYR B 31 17.603 0.940 -9.368 1.00 0.00 C ATOM 1594 OH TYR B 31 18.576 0.211 -8.723 1.00 0.00 O ATOM 0 H TYR B 31 15.750 4.214 -13.785 1.00 0.00 H new ATOM 0 HA TYR B 31 14.292 1.780 -12.952 1.00 0.00 H new ATOM 0 HB2 TYR B 31 14.816 4.274 -11.310 1.00 0.00 H new ATOM 0 HB3 TYR B 31 13.624 3.055 -10.905 1.00 0.00 H new ATOM 0 HD1 TYR B 31 14.486 0.619 -10.589 1.00 0.00 H new ATOM 0 HD2 TYR B 31 17.052 4.019 -10.599 1.00 0.00 H new ATOM 0 HE1 TYR B 31 16.217 -0.684 -9.429 1.00 0.00 H new ATOM 0 HE2 TYR B 31 18.783 2.718 -9.444 1.00 0.00 H new ATOM 0 HH TYR B 31 19.363 0.776 -8.573 1.00 0.00 H new ATOM 1604 N THR B 32 12.190 2.836 -13.764 1.00 0.00 N ATOM 1605 CA THR B 32 11.019 3.407 -14.400 1.00 0.00 C ATOM 1606 C THR B 32 10.215 4.225 -13.396 1.00 0.00 C ATOM 1607 O THR B 32 9.466 3.675 -12.586 1.00 0.00 O ATOM 1608 CB THR B 32 10.139 2.307 -15.020 1.00 0.00 C ATOM 1609 OG1 THR B 32 10.960 1.436 -15.813 1.00 0.00 O ATOM 1610 CG2 THR B 32 9.050 2.912 -15.893 1.00 0.00 C ATOM 0 H THR B 32 12.118 1.840 -13.558 1.00 0.00 H new ATOM 0 HA THR B 32 11.355 4.066 -15.200 1.00 0.00 H new ATOM 0 HB THR B 32 9.664 1.745 -14.216 1.00 0.00 H new ATOM 0 HG1 THR B 32 10.404 0.733 -16.209 1.00 0.00 H new ATOM 0 HG21 THR B 32 8.441 2.115 -16.320 1.00 0.00 H new ATOM 0 HG22 THR B 32 8.421 3.565 -15.289 1.00 0.00 H new ATOM 0 HG23 THR B 32 9.507 3.490 -16.697 1.00 0.00 H new ATOM 1618 N VAL B 33 10.410 5.536 -13.434 1.00 0.00 N ATOM 1619 CA VAL B 33 9.758 6.438 -12.500 1.00 0.00 C ATOM 1620 C VAL B 33 8.340 6.767 -12.955 1.00 0.00 C ATOM 1621 O VAL B 33 8.139 7.479 -13.942 1.00 0.00 O ATOM 1622 CB VAL B 33 10.556 7.748 -12.325 1.00 0.00 C ATOM 1623 CG1 VAL B 33 9.909 8.638 -11.274 1.00 0.00 C ATOM 1624 CG2 VAL B 33 12.004 7.452 -11.959 1.00 0.00 C ATOM 0 H VAL B 33 11.020 5.999 -14.108 1.00 0.00 H new ATOM 0 HA VAL B 33 9.716 5.924 -11.540 1.00 0.00 H new ATOM 0 HB VAL B 33 10.546 8.281 -13.276 1.00 0.00 H new ATOM 0 HG11 VAL B 33 10.488 9.555 -11.167 1.00 0.00 H new ATOM 0 HG12 VAL B 33 8.893 8.884 -11.581 1.00 0.00 H new ATOM 0 HG13 VAL B 33 9.882 8.113 -10.319 1.00 0.00 H new ATOM 0 HG21 VAL B 33 12.548 8.389 -11.840 1.00 0.00 H new ATOM 0 HG22 VAL B 33 12.036 6.893 -11.024 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.466 6.862 -12.750 1.00 0.00 H new ATOM 1634 N GLU B 34 7.369 6.228 -12.239 1.00 0.00 N ATOM 1635 CA GLU B 34 5.967 6.499 -12.510 1.00 0.00 C ATOM 1636 C GLU B 34 5.412 7.455 -11.463 1.00 0.00 C ATOM 1637 O GLU B 34 5.210 7.080 -10.308 1.00 0.00 O ATOM 1638 CB GLU B 34 5.170 5.195 -12.525 1.00 0.00 C ATOM 1639 CG GLU B 34 5.563 4.267 -13.662 1.00 0.00 C ATOM 1640 CD GLU B 34 4.853 2.931 -13.605 1.00 0.00 C ATOM 1641 OE1 GLU B 34 3.616 2.899 -13.776 1.00 0.00 O ATOM 1642 OE2 GLU B 34 5.532 1.905 -13.401 1.00 0.00 O ATOM 0 H GLU B 34 7.528 5.593 -11.457 1.00 0.00 H new ATOM 0 HA GLU B 34 5.878 6.966 -13.491 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.314 4.678 -11.576 1.00 0.00 H new ATOM 0 HB3 GLU B 34 4.108 5.427 -12.604 1.00 0.00 H new ATOM 0 HG2 GLU B 34 5.340 4.751 -14.613 1.00 0.00 H new ATOM 0 HG3 GLU B 34 6.640 4.102 -13.634 1.00 0.00 H new ATOM 1649 N ILE B 35 5.193 8.695 -11.865 1.00 0.00 N ATOM 1650 CA ILE B 35 4.740 9.728 -10.945 1.00 0.00 C ATOM 1651 C ILE B 35 3.215 9.800 -10.928 1.00 0.00 C ATOM 1652 O ILE B 35 2.575 9.852 -11.977 1.00 0.00 O ATOM 1653 CB ILE B 35 5.322 11.103 -11.329 1.00 0.00 C ATOM 1654 CG1 ILE B 35 6.837 10.996 -11.536 1.00 0.00 C ATOM 1655 CG2 ILE B 35 5.005 12.129 -10.251 1.00 0.00 C ATOM 1656 CD1 ILE B 35 7.478 12.276 -12.026 1.00 0.00 C ATOM 0 H ILE B 35 5.322 9.013 -12.826 1.00 0.00 H new ATOM 0 HA ILE B 35 5.095 9.465 -9.949 1.00 0.00 H new ATOM 0 HB ILE B 35 4.865 11.429 -12.263 1.00 0.00 H new ATOM 0 HG12 ILE B 35 7.303 10.704 -10.595 1.00 0.00 H new ATOM 0 HG13 ILE B 35 7.041 10.201 -12.253 1.00 0.00 H new ATOM 0 HG21 ILE B 35 5.422 13.095 -10.535 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.924 12.218 -10.140 1.00 0.00 H new ATOM 0 HG23 ILE B 35 5.442 11.809 -9.305 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.550 12.122 -12.149 1.00 0.00 H new ATOM 0 HD12 ILE B 35 7.040 12.559 -12.983 1.00 0.00 H new ATOM 0 HD13 ILE B 35 7.306 13.070 -11.299 1.00 0.00 H new ATOM 1668 N VAL B 36 2.642 9.791 -9.732 1.00 0.00 N ATOM 1669 CA VAL B 36 1.198 9.755 -9.568 1.00 0.00 C ATOM 1670 C VAL B 36 0.707 10.922 -8.712 1.00 0.00 C ATOM 1671 O VAL B 36 1.105 11.065 -7.553 1.00 0.00 O ATOM 1672 CB VAL B 36 0.749 8.430 -8.917 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -0.756 8.411 -8.727 1.00 0.00 C ATOM 1674 CG2 VAL B 36 1.198 7.238 -9.750 1.00 0.00 C ATOM 0 H VAL B 36 3.162 9.808 -8.855 1.00 0.00 H new ATOM 0 HA VAL B 36 0.762 9.836 -10.564 1.00 0.00 H new ATOM 0 HB VAL B 36 1.221 8.357 -7.937 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.053 7.469 -8.267 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -1.052 9.239 -8.082 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -1.246 8.512 -9.695 1.00 0.00 H new ATOM 0 HG21 VAL B 36 0.870 6.315 -9.271 1.00 0.00 H new ATOM 0 HG22 VAL B 36 0.761 7.305 -10.746 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.285 7.239 -9.830 1.00 0.00 H new ATOM 1684 N HIS B 37 -0.161 11.746 -9.290 1.00 0.00 N ATOM 1685 CA HIS B 37 -0.745 12.876 -8.574 1.00 0.00 C ATOM 1686 C HIS B 37 -2.050 12.444 -7.900 1.00 0.00 C ATOM 1687 O HIS B 37 -3.013 12.070 -8.572 1.00 0.00 O ATOM 1688 CB HIS B 37 -1.014 14.038 -9.540 1.00 0.00 C ATOM 1689 CG HIS B 37 -1.206 15.363 -8.859 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -2.194 15.562 -7.931 1.00 0.00 N ATOM 1691 CD2 HIS B 37 -0.498 16.509 -8.997 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -2.058 16.811 -7.516 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -1.046 17.426 -8.137 1.00 0.00 N ATOM 0 H HIS B 37 -0.477 11.652 -10.255 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.041 13.211 -7.812 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.181 14.117 -10.239 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.903 13.810 -10.128 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.340 16.670 -9.659 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -2.685 17.275 -6.770 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -0.741 18.389 -7.998 1.00 0.00 H new ATOM 1701 N LEU B 38 -2.075 12.499 -6.576 1.00 0.00 N ATOM 1702 CA LEU B 38 -3.230 12.040 -5.805 1.00 0.00 C ATOM 1703 C LEU B 38 -4.335 13.087 -5.770 1.00 0.00 C ATOM 1704 O LEU B 38 -5.503 12.764 -5.557 1.00 0.00 O ATOM 1705 CB LEU B 38 -2.809 11.703 -4.379 1.00 0.00 C ATOM 1706 CG LEU B 38 -1.700 10.662 -4.257 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -1.349 10.446 -2.802 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -2.120 9.351 -4.902 1.00 0.00 C ATOM 0 H LEU B 38 -1.307 12.858 -6.008 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.619 11.149 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -2.481 12.619 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -3.683 11.345 -3.834 1.00 0.00 H new ATOM 0 HG LEU B 38 -0.818 11.031 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -0.557 9.701 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -1.008 11.385 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -2.229 10.096 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -1.315 8.623 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.014 8.972 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.332 9.517 -5.958 1.00 0.00 H new ATOM 1720 N GLY B 39 -3.961 14.342 -5.972 1.00 0.00 N ATOM 1721 CA GLY B 39 -4.932 15.416 -5.948 1.00 0.00 C ATOM 1722 C GLY B 39 -5.829 15.394 -7.167 1.00 0.00 C ATOM 1723 O GLY B 39 -6.972 15.852 -7.116 1.00 0.00 O ATOM 0 H GLY B 39 -3.001 14.636 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -5.541 15.335 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -4.413 16.373 -5.896 1.00 0.00 H new ATOM 1727 N THR B 40 -5.305 14.859 -8.264 1.00 0.00 N ATOM 1728 CA THR B 40 -6.066 14.747 -9.499 1.00 0.00 C ATOM 1729 C THR B 40 -7.052 13.582 -9.421 1.00 0.00 C ATOM 1730 O THR B 40 -8.216 13.715 -9.802 1.00 0.00 O ATOM 1731 CB THR B 40 -5.131 14.542 -10.708 1.00 0.00 C ATOM 1732 OG1 THR B 40 -4.113 15.553 -10.715 1.00 0.00 O ATOM 1733 CG2 THR B 40 -5.907 14.596 -12.017 1.00 0.00 C ATOM 0 H THR B 40 -4.354 14.496 -8.321 1.00 0.00 H new ATOM 0 HA THR B 40 -6.617 15.678 -9.631 1.00 0.00 H new ATOM 0 HB THR B 40 -4.673 13.557 -10.617 1.00 0.00 H new ATOM 0 HG1 THR B 40 -3.521 15.416 -11.484 1.00 0.00 H new ATOM 0 HG21 THR B 40 -5.222 14.448 -12.852 1.00 0.00 H new ATOM 0 HG22 THR B 40 -6.663 13.811 -12.024 1.00 0.00 H new ATOM 0 HG23 THR B 40 -6.392 15.567 -12.113 1.00 0.00 H new ATOM 1741 N ASP B 41 -6.586 12.453 -8.905 1.00 0.00 N ATOM 1742 CA ASP B 41 -7.401 11.246 -8.844 1.00 0.00 C ATOM 1743 C ASP B 41 -7.288 10.583 -7.477 1.00 0.00 C ATOM 1744 O ASP B 41 -6.218 10.107 -7.092 1.00 0.00 O ATOM 1745 CB ASP B 41 -6.972 10.268 -9.938 1.00 0.00 C ATOM 1746 CG ASP B 41 -7.733 8.960 -9.884 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -8.909 8.934 -10.296 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -7.148 7.949 -9.451 1.00 0.00 O ATOM 0 H ASP B 41 -5.647 12.347 -8.522 1.00 0.00 H new ATOM 0 HA ASP B 41 -8.442 11.527 -9.003 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -7.123 10.731 -10.913 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -5.905 10.067 -9.842 1.00 0.00 H new ATOM 1753 N LYS B 42 -8.398 10.547 -6.747 1.00 0.00 N ATOM 1754 CA LYS B 42 -8.407 9.999 -5.395 1.00 0.00 C ATOM 1755 C LYS B 42 -8.410 8.472 -5.395 1.00 0.00 C ATOM 1756 O LYS B 42 -8.225 7.848 -4.350 1.00 0.00 O ATOM 1757 CB LYS B 42 -9.610 10.517 -4.607 1.00 0.00 C ATOM 1758 CG LYS B 42 -9.592 12.021 -4.390 1.00 0.00 C ATOM 1759 CD LYS B 42 -10.712 12.459 -3.465 1.00 0.00 C ATOM 1760 CE LYS B 42 -10.738 13.968 -3.304 1.00 0.00 C ATOM 1761 NZ LYS B 42 -11.763 14.403 -2.320 1.00 0.00 N ATOM 0 H LYS B 42 -9.303 10.891 -7.069 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.489 10.334 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -10.524 10.245 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -9.641 10.019 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -8.632 12.318 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -9.690 12.530 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -11.668 12.117 -3.861 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -10.585 11.989 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -9.756 14.316 -2.983 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -10.941 14.433 -4.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -11.749 15.440 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -12.703 14.094 -2.639 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -11.555 13.981 -1.393 1.00 0.00 H new ATOM 1775 N ALA B 43 -8.609 7.866 -6.559 1.00 0.00 N ATOM 1776 CA ALA B 43 -8.575 6.412 -6.664 1.00 0.00 C ATOM 1777 C ALA B 43 -7.155 5.909 -6.431 1.00 0.00 C ATOM 1778 O ALA B 43 -6.941 4.787 -5.972 1.00 0.00 O ATOM 1779 CB ALA B 43 -9.099 5.953 -8.018 1.00 0.00 C ATOM 0 H ALA B 43 -8.794 8.353 -7.436 1.00 0.00 H new ATOM 0 HA ALA B 43 -9.226 5.990 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -9.064 4.865 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -10.128 6.289 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -8.481 6.376 -8.810 1.00 0.00 H new ATOM 1785 N ARG B 44 -6.189 6.765 -6.736 1.00 0.00 N ATOM 1786 CA ARG B 44 -4.785 6.463 -6.506 1.00 0.00 C ATOM 1787 C ARG B 44 -4.442 6.507 -5.019 1.00 0.00 C ATOM 1788 O ARG B 44 -3.444 5.930 -4.591 1.00 0.00 O ATOM 1789 CB ARG B 44 -3.901 7.442 -7.274 1.00 0.00 C ATOM 1790 CG ARG B 44 -3.978 7.274 -8.779 1.00 0.00 C ATOM 1791 CD ARG B 44 -3.414 5.933 -9.217 1.00 0.00 C ATOM 1792 NE ARG B 44 -3.438 5.784 -10.669 1.00 0.00 N ATOM 1793 CZ ARG B 44 -2.556 5.067 -11.367 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -1.583 4.403 -10.747 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -2.662 4.996 -12.686 1.00 0.00 N ATOM 0 H ARG B 44 -6.356 7.683 -7.148 1.00 0.00 H new ATOM 0 HA ARG B 44 -4.599 5.451 -6.866 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -4.190 8.460 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -2.867 7.313 -6.954 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -5.015 7.357 -9.103 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -3.426 8.079 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -2.389 5.835 -8.858 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -3.990 5.129 -8.759 1.00 0.00 H new ATOM 0 HE ARG B 44 -4.179 6.260 -11.184 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -1.508 4.440 -9.730 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -0.913 3.857 -11.288 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -3.416 5.489 -13.164 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -1.989 4.449 -13.223 1.00 0.00 H new ATOM 1809 N ILE B 45 -5.268 7.191 -4.230 1.00 0.00 N ATOM 1810 CA ILE B 45 -5.067 7.232 -2.785 1.00 0.00 C ATOM 1811 C ILE B 45 -5.249 5.834 -2.206 1.00 0.00 C ATOM 1812 O ILE B 45 -4.443 5.373 -1.398 1.00 0.00 O ATOM 1813 CB ILE B 45 -6.037 8.212 -2.085 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -5.804 9.642 -2.582 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -5.873 8.140 -0.572 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -6.731 10.664 -1.956 1.00 0.00 C ATOM 0 H ILE B 45 -6.075 7.719 -4.563 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.053 7.589 -2.604 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.058 7.921 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -4.772 9.926 -2.375 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.930 9.666 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -6.564 8.837 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.087 7.127 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -4.850 8.404 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -6.506 11.653 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -7.765 10.406 -2.185 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -6.590 10.670 -0.875 1.00 0.00 H new ATOM 1828 N ALA B 46 -6.300 5.156 -2.653 1.00 0.00 N ATOM 1829 CA ALA B 46 -6.559 3.785 -2.239 1.00 0.00 C ATOM 1830 C ALA B 46 -5.452 2.866 -2.736 1.00 0.00 C ATOM 1831 O ALA B 46 -5.070 1.913 -2.061 1.00 0.00 O ATOM 1832 CB ALA B 46 -7.911 3.320 -2.761 1.00 0.00 C ATOM 0 H ALA B 46 -6.987 5.536 -3.304 1.00 0.00 H new ATOM 0 HA ALA B 46 -6.578 3.748 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -8.090 2.293 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -8.695 3.965 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -7.917 3.369 -3.850 1.00 0.00 H new ATOM 1838 N GLU B 47 -4.930 3.175 -3.917 1.00 0.00 N ATOM 1839 CA GLU B 47 -3.833 2.417 -4.507 1.00 0.00 C ATOM 1840 C GLU B 47 -2.594 2.486 -3.616 1.00 0.00 C ATOM 1841 O GLU B 47 -1.999 1.459 -3.281 1.00 0.00 O ATOM 1842 CB GLU B 47 -3.519 2.965 -5.901 1.00 0.00 C ATOM 1843 CG GLU B 47 -2.383 2.248 -6.609 1.00 0.00 C ATOM 1844 CD GLU B 47 -2.101 2.836 -7.974 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -1.298 3.791 -8.065 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -2.688 2.352 -8.964 1.00 0.00 O ATOM 0 H GLU B 47 -5.253 3.954 -4.490 1.00 0.00 H new ATOM 0 HA GLU B 47 -4.132 1.372 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -4.416 2.898 -6.516 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -3.269 4.023 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -1.482 2.304 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -2.631 1.192 -6.714 1.00 0.00 H new ATOM 1853 N ALA B 48 -2.221 3.700 -3.222 1.00 0.00 N ATOM 1854 CA ALA B 48 -1.076 3.908 -2.341 1.00 0.00 C ATOM 1855 C ALA B 48 -1.319 3.266 -0.981 1.00 0.00 C ATOM 1856 O ALA B 48 -0.409 2.688 -0.379 1.00 0.00 O ATOM 1857 CB ALA B 48 -0.792 5.396 -2.184 1.00 0.00 C ATOM 0 H ALA B 48 -2.697 4.558 -3.500 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.205 3.433 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.064 5.535 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.573 5.830 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -1.664 5.890 -1.755 1.00 0.00 H new ATOM 1863 N GLU B 49 -2.558 3.362 -0.512 1.00 0.00 N ATOM 1864 CA GLU B 49 -2.957 2.773 0.759 1.00 0.00 C ATOM 1865 C GLU B 49 -2.748 1.259 0.727 1.00 0.00 C ATOM 1866 O GLU B 49 -2.178 0.684 1.656 1.00 0.00 O ATOM 1867 CB GLU B 49 -4.424 3.135 1.049 1.00 0.00 C ATOM 1868 CG GLU B 49 -4.935 2.710 2.420 1.00 0.00 C ATOM 1869 CD GLU B 49 -5.511 1.309 2.431 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -6.596 1.104 1.845 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -4.891 0.407 3.026 1.00 0.00 O ATOM 0 H GLU B 49 -3.310 3.848 -1.000 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.338 3.173 1.563 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.542 4.214 0.953 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -5.053 2.677 0.286 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -4.118 2.766 3.139 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -5.699 3.413 2.750 1.00 0.00 H new ATOM 1878 N LYS B 50 -3.182 0.628 -0.360 1.00 0.00 N ATOM 1879 CA LYS B 50 -3.008 -0.811 -0.538 1.00 0.00 C ATOM 1880 C LYS B 50 -1.528 -1.172 -0.641 1.00 0.00 C ATOM 1881 O LYS B 50 -1.091 -2.198 -0.116 1.00 0.00 O ATOM 1882 CB LYS B 50 -3.743 -1.287 -1.792 1.00 0.00 C ATOM 1883 CG LYS B 50 -5.249 -1.099 -1.731 1.00 0.00 C ATOM 1884 CD LYS B 50 -5.895 -1.404 -3.071 1.00 0.00 C ATOM 1885 CE LYS B 50 -7.398 -1.185 -3.030 1.00 0.00 C ATOM 1886 NZ LYS B 50 -8.026 -1.438 -4.352 1.00 0.00 N ATOM 0 H LYS B 50 -3.658 1.092 -1.134 1.00 0.00 H new ATOM 0 HA LYS B 50 -3.429 -1.310 0.335 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -3.354 -0.748 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -3.525 -2.343 -1.950 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -5.669 -1.751 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -5.479 -0.074 -1.438 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.455 -0.770 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -5.685 -2.436 -3.350 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.842 -1.844 -2.284 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.608 -0.162 -2.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -9.052 -1.279 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -7.620 -0.792 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.846 -2.421 -4.639 1.00 0.00 H new ATOM 1900 N ALA B 51 -0.762 -0.317 -1.311 1.00 0.00 N ATOM 1901 CA ALA B 51 0.671 -0.535 -1.480 1.00 0.00 C ATOM 1902 C ALA B 51 1.401 -0.488 -0.140 1.00 0.00 C ATOM 1903 O ALA B 51 2.395 -1.184 0.064 1.00 0.00 O ATOM 1904 CB ALA B 51 1.250 0.494 -2.438 1.00 0.00 C ATOM 0 H ALA B 51 -1.111 0.536 -1.747 1.00 0.00 H new ATOM 0 HA ALA B 51 0.814 -1.530 -1.902 1.00 0.00 H new ATOM 0 HB1 ALA B 51 2.320 0.320 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA B 51 0.759 0.405 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA B 51 1.087 1.495 -2.039 1.00 0.00 H new ATOM 1910 N GLY B 52 0.899 0.333 0.771 1.00 0.00 N ATOM 1911 CA GLY B 52 1.492 0.421 2.089 1.00 0.00 C ATOM 1912 C GLY B 52 2.053 1.795 2.386 1.00 0.00 C ATOM 1913 O GLY B 52 2.734 1.990 3.394 1.00 0.00 O ATOM 0 H GLY B 52 0.092 0.939 0.621 1.00 0.00 H new ATOM 0 HA2 GLY B 52 0.741 0.170 2.838 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.288 -0.318 2.175 1.00 0.00 H new ATOM 1917 N VAL B 53 1.765 2.749 1.516 1.00 0.00 N ATOM 1918 CA VAL B 53 2.244 4.110 1.697 1.00 0.00 C ATOM 1919 C VAL B 53 1.353 4.845 2.690 1.00 0.00 C ATOM 1920 O VAL B 53 0.228 5.222 2.367 1.00 0.00 O ATOM 1921 CB VAL B 53 2.277 4.883 0.360 1.00 0.00 C ATOM 1922 CG1 VAL B 53 2.900 6.258 0.546 1.00 0.00 C ATOM 1923 CG2 VAL B 53 3.029 4.092 -0.700 1.00 0.00 C ATOM 0 H VAL B 53 1.202 2.606 0.677 1.00 0.00 H new ATOM 0 HA VAL B 53 3.262 4.056 2.082 1.00 0.00 H new ATOM 0 HB VAL B 53 1.250 5.018 0.021 1.00 0.00 H new ATOM 0 HG11 VAL B 53 2.913 6.784 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL B 53 2.314 6.828 1.267 1.00 0.00 H new ATOM 0 HG13 VAL B 53 3.920 6.148 0.913 1.00 0.00 H new ATOM 0 HG21 VAL B 53 3.040 4.654 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL B 53 4.053 3.920 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.533 3.134 -0.859 1.00 0.00 H new ATOM 1933 N LYS B 54 1.848 5.017 3.908 1.00 0.00 N ATOM 1934 CA LYS B 54 1.072 5.662 4.959 1.00 0.00 C ATOM 1935 C LYS B 54 1.269 7.173 4.917 1.00 0.00 C ATOM 1936 O LYS B 54 0.314 7.943 5.037 1.00 0.00 O ATOM 1937 CB LYS B 54 1.460 5.106 6.331 1.00 0.00 C ATOM 1938 CG LYS B 54 1.303 3.599 6.441 1.00 0.00 C ATOM 1939 CD LYS B 54 1.555 3.088 7.857 1.00 0.00 C ATOM 1940 CE LYS B 54 2.963 3.402 8.350 1.00 0.00 C ATOM 1941 NZ LYS B 54 3.053 4.736 9.010 1.00 0.00 N ATOM 0 H LYS B 54 2.781 4.720 4.193 1.00 0.00 H new ATOM 0 HA LYS B 54 0.017 5.448 4.789 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.496 5.372 6.542 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.846 5.584 7.095 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.297 3.318 6.130 1.00 0.00 H new ATOM 0 HG3 LYS B 54 1.996 3.113 5.754 1.00 0.00 H new ATOM 0 HD2 LYS B 54 0.828 3.535 8.535 1.00 0.00 H new ATOM 0 HD3 LYS B 54 1.396 2.010 7.884 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.279 2.631 9.052 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.655 3.369 7.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.783 5.308 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 2.135 5.220 8.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 3.304 4.612 10.012 1.00 0.00 H new ATOM 1955 N SER B 55 2.513 7.594 4.748 1.00 0.00 N ATOM 1956 CA SER B 55 2.809 9.002 4.558 1.00 0.00 C ATOM 1957 C SER B 55 3.103 9.256 3.087 1.00 0.00 C ATOM 1958 O SER B 55 4.106 8.788 2.554 1.00 0.00 O ATOM 1959 CB SER B 55 3.997 9.430 5.423 1.00 0.00 C ATOM 1960 OG SER B 55 3.776 9.114 6.788 1.00 0.00 O ATOM 0 H SER B 55 3.329 6.982 4.739 1.00 0.00 H new ATOM 0 HA SER B 55 1.945 9.593 4.864 1.00 0.00 H new ATOM 0 HB2 SER B 55 4.902 8.934 5.074 1.00 0.00 H new ATOM 0 HB3 SER B 55 4.160 10.502 5.317 1.00 0.00 H new ATOM 0 HG SER B 55 3.520 9.925 7.274 1.00 0.00 H new ATOM 1966 N VAL B 56 2.216 9.970 2.420 1.00 0.00 N ATOM 1967 CA VAL B 56 2.389 10.223 1.003 1.00 0.00 C ATOM 1968 C VAL B 56 3.461 11.302 0.761 1.00 0.00 C ATOM 1969 O VAL B 56 4.246 11.579 1.668 1.00 0.00 O ATOM 1970 CB VAL B 56 1.050 10.515 0.297 1.00 0.00 C ATOM 1971 CG1 VAL B 56 0.567 9.252 -0.397 1.00 0.00 C ATOM 1972 CG2 VAL B 56 -0.003 10.988 1.281 1.00 0.00 C ATOM 0 H VAL B 56 1.378 10.381 2.831 1.00 0.00 H new ATOM 0 HA VAL B 56 2.762 9.309 0.540 1.00 0.00 H new ATOM 0 HB VAL B 56 1.211 11.309 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -0.380 9.452 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL B 56 1.307 8.935 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL B 56 0.427 8.462 0.341 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.935 11.185 0.750 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.170 10.217 2.034 1.00 0.00 H new ATOM 0 HG23 VAL B 56 0.338 11.902 1.767 1.00 0.00 H new ATOM 1982 N PRO B 57 3.429 12.056 -0.362 1.00 0.00 N ATOM 1983 CA PRO B 57 4.617 12.360 -1.134 1.00 0.00 C ATOM 1984 C PRO B 57 5.846 11.538 -0.731 1.00 0.00 C ATOM 1985 O PRO B 57 6.612 11.889 0.167 1.00 0.00 O ATOM 1986 CB PRO B 57 4.707 13.852 -0.882 1.00 0.00 C ATOM 1987 CG PRO B 57 3.252 14.280 -0.924 1.00 0.00 C ATOM 1988 CD PRO B 57 2.411 13.008 -0.764 1.00 0.00 C ATOM 0 HA PRO B 57 4.571 12.098 -2.191 1.00 0.00 H new ATOM 0 HB2 PRO B 57 5.168 14.074 0.081 1.00 0.00 H new ATOM 0 HB3 PRO B 57 5.301 14.357 -1.644 1.00 0.00 H new ATOM 0 HG2 PRO B 57 3.035 14.990 -0.126 1.00 0.00 H new ATOM 0 HG3 PRO B 57 3.023 14.779 -1.866 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.631 13.121 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO B 57 1.919 12.719 -1.693 1.00 0.00 H new ATOM 1996 N ALA B 58 5.996 10.415 -1.425 1.00 0.00 N ATOM 1997 CA ALA B 58 7.002 9.420 -1.098 1.00 0.00 C ATOM 1998 C ALA B 58 7.516 8.736 -2.359 1.00 0.00 C ATOM 1999 O ALA B 58 6.878 8.799 -3.416 1.00 0.00 O ATOM 2000 CB ALA B 58 6.421 8.390 -0.140 1.00 0.00 C ATOM 0 H ALA B 58 5.420 10.172 -2.231 1.00 0.00 H new ATOM 0 HA ALA B 58 7.841 9.922 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA B 58 7.182 7.647 0.101 1.00 0.00 H new ATOM 0 HB2 ALA B 58 6.096 8.886 0.775 1.00 0.00 H new ATOM 0 HB3 ALA B 58 5.568 7.898 -0.608 1.00 0.00 H new ATOM 2006 N LEU B 59 8.659 8.079 -2.238 1.00 0.00 N ATOM 2007 CA LEU B 59 9.287 7.405 -3.365 1.00 0.00 C ATOM 2008 C LEU B 59 9.310 5.898 -3.137 1.00 0.00 C ATOM 2009 O LEU B 59 9.934 5.415 -2.193 1.00 0.00 O ATOM 2010 CB LEU B 59 10.712 7.930 -3.556 1.00 0.00 C ATOM 2011 CG LEU B 59 11.498 7.301 -4.708 1.00 0.00 C ATOM 2012 CD1 LEU B 59 10.848 7.622 -6.045 1.00 0.00 C ATOM 2013 CD2 LEU B 59 12.940 7.782 -4.687 1.00 0.00 C ATOM 0 H LEU B 59 9.175 7.998 -1.362 1.00 0.00 H new ATOM 0 HA LEU B 59 8.707 7.611 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU B 59 10.665 9.007 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU B 59 11.266 7.770 -2.631 1.00 0.00 H new ATOM 0 HG LEU B 59 11.489 6.219 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU B 59 11.424 7.164 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU B 59 9.831 7.230 -6.059 1.00 0.00 H new ATOM 0 HD13 LEU B 59 10.822 8.702 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU B 59 13.488 7.326 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU B 59 12.963 8.867 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU B 59 13.405 7.498 -3.743 1.00 0.00 H new ATOM 2025 N VAL B 60 8.624 5.165 -3.993 1.00 0.00 N ATOM 2026 CA VAL B 60 8.565 3.717 -3.881 1.00 0.00 C ATOM 2027 C VAL B 60 9.616 3.070 -4.776 1.00 0.00 C ATOM 2028 O VAL B 60 9.427 2.945 -5.987 1.00 0.00 O ATOM 2029 CB VAL B 60 7.171 3.169 -4.254 1.00 0.00 C ATOM 2030 CG1 VAL B 60 7.098 1.667 -4.014 1.00 0.00 C ATOM 2031 CG2 VAL B 60 6.083 3.890 -3.474 1.00 0.00 C ATOM 0 H VAL B 60 8.097 5.549 -4.777 1.00 0.00 H new ATOM 0 HA VAL B 60 8.764 3.468 -2.839 1.00 0.00 H new ATOM 0 HB VAL B 60 7.008 3.352 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL B 60 6.107 1.303 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL B 60 7.848 1.164 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL B 60 7.287 1.457 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL B 60 5.109 3.488 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL B 60 6.244 3.744 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL B 60 6.115 4.955 -3.704 1.00 0.00 H new ATOM 2041 N ILE B 61 10.729 2.677 -4.177 1.00 0.00 N ATOM 2042 CA ILE B 61 11.790 2.005 -4.905 1.00 0.00 C ATOM 2043 C ILE B 61 11.572 0.500 -4.865 1.00 0.00 C ATOM 2044 O ILE B 61 11.974 -0.173 -3.914 1.00 0.00 O ATOM 2045 CB ILE B 61 13.191 2.352 -4.345 1.00 0.00 C ATOM 2046 CG1 ILE B 61 13.458 3.855 -4.470 1.00 0.00 C ATOM 2047 CG2 ILE B 61 14.278 1.560 -5.066 1.00 0.00 C ATOM 2048 CD1 ILE B 61 13.475 4.356 -5.900 1.00 0.00 C ATOM 0 H ILE B 61 10.920 2.813 -3.184 1.00 0.00 H new ATOM 0 HA ILE B 61 11.754 2.356 -5.936 1.00 0.00 H new ATOM 0 HB ILE B 61 13.212 2.078 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.694 4.398 -3.914 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.416 4.085 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE B 61 15.253 1.822 -4.654 1.00 0.00 H new ATOM 0 HG22 ILE B 61 14.101 0.493 -4.930 1.00 0.00 H new ATOM 0 HG23 ILE B 61 14.257 1.799 -6.129 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.670 5.428 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.258 3.841 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE B 61 12.509 4.159 -6.366 1.00 0.00 H new ATOM 2060 N ASP B 62 10.886 0.005 -5.889 1.00 0.00 N ATOM 2061 CA ASP B 62 10.584 -1.417 -6.048 1.00 0.00 C ATOM 2062 C ASP B 62 10.041 -2.036 -4.761 1.00 0.00 C ATOM 2063 O ASP B 62 10.755 -2.728 -4.034 1.00 0.00 O ATOM 2064 CB ASP B 62 11.809 -2.194 -6.534 1.00 0.00 C ATOM 2065 CG ASP B 62 11.452 -3.607 -6.950 1.00 0.00 C ATOM 2066 OD1 ASP B 62 10.563 -3.769 -7.813 1.00 0.00 O ATOM 2067 OD2 ASP B 62 12.049 -4.563 -6.417 1.00 0.00 O ATOM 0 H ASP B 62 10.518 0.585 -6.643 1.00 0.00 H new ATOM 0 HA ASP B 62 9.804 -1.488 -6.806 1.00 0.00 H new ATOM 0 HB2 ASP B 62 12.261 -1.670 -7.377 1.00 0.00 H new ATOM 0 HB3 ASP B 62 12.557 -2.227 -5.741 1.00 0.00 H new ATOM 2072 N GLY B 63 8.782 -1.747 -4.466 1.00 0.00 N ATOM 2073 CA GLY B 63 8.137 -2.325 -3.303 1.00 0.00 C ATOM 2074 C GLY B 63 8.415 -1.565 -2.016 1.00 0.00 C ATOM 2075 O GLY B 63 7.578 -1.543 -1.111 1.00 0.00 O ATOM 0 H GLY B 63 8.193 -1.120 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY B 63 7.061 -2.356 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY B 63 8.471 -3.356 -3.187 1.00 0.00 H new ATOM 2079 N ALA B 64 9.587 -0.952 -1.920 1.00 0.00 N ATOM 2080 CA ALA B 64 9.969 -0.221 -0.719 1.00 0.00 C ATOM 2081 C ALA B 64 9.542 1.237 -0.812 1.00 0.00 C ATOM 2082 O ALA B 64 10.077 1.999 -1.615 1.00 0.00 O ATOM 2083 CB ALA B 64 11.469 -0.324 -0.490 1.00 0.00 C ATOM 0 H ALA B 64 10.290 -0.946 -2.659 1.00 0.00 H new ATOM 0 HA ALA B 64 9.456 -0.670 0.131 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.738 0.227 0.411 1.00 0.00 H new ATOM 0 HB2 ALA B 64 11.748 -1.371 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA B 64 11.997 0.098 -1.345 1.00 0.00 H new ATOM 2089 N ALA B 65 8.580 1.622 0.012 1.00 0.00 N ATOM 2090 CA ALA B 65 8.063 2.981 -0.005 1.00 0.00 C ATOM 2091 C ALA B 65 8.813 3.863 0.985 1.00 0.00 C ATOM 2092 O ALA B 65 8.650 3.734 2.198 1.00 0.00 O ATOM 2093 CB ALA B 65 6.574 2.986 0.305 1.00 0.00 C ATOM 0 H ALA B 65 8.141 1.012 0.702 1.00 0.00 H new ATOM 0 HA ALA B 65 8.214 3.388 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA B 65 6.202 4.011 0.288 1.00 0.00 H new ATOM 0 HB2 ALA B 65 6.045 2.396 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.406 2.555 1.292 1.00 0.00 H new ATOM 2099 N PHE B 66 9.645 4.747 0.461 1.00 0.00 N ATOM 2100 CA PHE B 66 10.386 5.677 1.294 1.00 0.00 C ATOM 2101 C PHE B 66 9.633 6.995 1.397 1.00 0.00 C ATOM 2102 O PHE B 66 9.580 7.766 0.438 1.00 0.00 O ATOM 2103 CB PHE B 66 11.789 5.908 0.729 1.00 0.00 C ATOM 2104 CG PHE B 66 12.628 4.661 0.681 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.999 4.017 1.851 1.00 0.00 C ATOM 2106 CD2 PHE B 66 13.042 4.133 -0.531 1.00 0.00 C ATOM 2107 CE1 PHE B 66 13.767 2.870 1.812 1.00 0.00 C ATOM 2108 CE2 PHE B 66 13.811 2.985 -0.575 1.00 0.00 C ATOM 2109 CZ PHE B 66 14.173 2.354 0.599 1.00 0.00 C ATOM 0 H PHE B 66 9.824 4.840 -0.539 1.00 0.00 H new ATOM 0 HA PHE B 66 10.487 5.248 2.291 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.704 6.318 -0.277 1.00 0.00 H new ATOM 0 HB3 PHE B 66 12.298 6.656 1.336 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.684 4.417 2.804 1.00 0.00 H new ATOM 0 HD2 PHE B 66 12.761 4.623 -1.451 1.00 0.00 H new ATOM 0 HE1 PHE B 66 14.050 2.377 2.731 1.00 0.00 H new ATOM 0 HE2 PHE B 66 14.128 2.582 -1.526 1.00 0.00 H new ATOM 0 HZ PHE B 66 14.774 1.457 0.567 1.00 0.00 H new ATOM 2119 N HIS B 67 9.034 7.227 2.558 1.00 0.00 N ATOM 2120 CA HIS B 67 8.242 8.433 2.801 1.00 0.00 C ATOM 2121 C HIS B 67 9.124 9.681 2.720 1.00 0.00 C ATOM 2122 O HIS B 67 9.970 9.893 3.583 1.00 0.00 O ATOM 2123 CB HIS B 67 7.585 8.352 4.185 1.00 0.00 C ATOM 2124 CG HIS B 67 6.760 7.113 4.414 1.00 0.00 C ATOM 2125 ND1 HIS B 67 7.183 6.030 5.154 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.498 6.817 4.018 1.00 0.00 C ATOM 2127 CE1 HIS B 67 6.183 5.136 5.186 1.00 0.00 C ATOM 2128 NE2 HIS B 67 5.134 5.570 4.512 1.00 0.00 N ATOM 0 H HIS B 67 9.081 6.592 3.355 1.00 0.00 H new ATOM 0 HA HIS B 67 7.469 8.502 2.035 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.364 8.400 4.946 1.00 0.00 H new ATOM 0 HB3 HIS B 67 6.950 9.227 4.323 1.00 0.00 H new ATOM 0 HD1 HIS B 67 8.095 5.926 5.599 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.871 7.453 3.411 1.00 0.00 H new ATOM 0 HE1 HIS B 67 6.230 4.185 5.696 1.00 0.00 H new ATOM 2136 N ILE B 68 8.930 10.512 1.698 1.00 0.00 N ATOM 2137 CA ILE B 68 9.799 11.666 1.502 1.00 0.00 C ATOM 2138 C ILE B 68 9.365 12.798 2.421 1.00 0.00 C ATOM 2139 O ILE B 68 8.409 13.519 2.129 1.00 0.00 O ATOM 2140 CB ILE B 68 9.805 12.150 0.033 1.00 0.00 C ATOM 2141 CG1 ILE B 68 10.240 11.014 -0.897 1.00 0.00 C ATOM 2142 CG2 ILE B 68 10.729 13.350 -0.133 1.00 0.00 C ATOM 2143 CD1 ILE B 68 10.264 11.402 -2.361 1.00 0.00 C ATOM 0 H ILE B 68 8.190 10.409 1.003 1.00 0.00 H new ATOM 0 HA ILE B 68 10.816 11.358 1.747 1.00 0.00 H new ATOM 0 HB ILE B 68 8.793 12.455 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE B 68 11.234 10.676 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE B 68 9.564 10.169 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE B 68 10.719 13.675 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE B 68 10.386 14.164 0.505 1.00 0.00 H new ATOM 0 HG23 ILE B 68 11.744 13.070 0.150 1.00 0.00 H new ATOM 0 HD11 ILE B 68 10.581 10.548 -2.959 1.00 0.00 H new ATOM 0 HD12 ILE B 68 9.266 11.712 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE B 68 10.962 12.226 -2.508 1.00 0.00 H new ATOM 2155 N ASN B 69 10.084 12.942 3.534 1.00 0.00 N ATOM 2156 CA ASN B 69 9.682 13.839 4.612 1.00 0.00 C ATOM 2157 C ASN B 69 8.307 13.405 5.097 1.00 0.00 C ATOM 2158 O ASN B 69 7.965 12.225 5.040 1.00 0.00 O ATOM 2159 CB ASN B 69 9.627 15.307 4.143 1.00 0.00 C ATOM 2160 CG ASN B 69 10.878 15.762 3.417 1.00 0.00 C ATOM 2161 OD1 ASN B 69 11.852 16.187 4.032 1.00 0.00 O ATOM 2162 ND2 ASN B 69 10.846 15.707 2.097 1.00 0.00 N ATOM 0 H ASN B 69 10.956 12.443 3.711 1.00 0.00 H new ATOM 0 HA ASN B 69 10.418 13.782 5.414 1.00 0.00 H new ATOM 0 HB2 ASN B 69 8.768 15.437 3.485 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.466 15.950 5.008 1.00 0.00 H new ATOM 0 HD21 ASN B 69 11.649 16.024 1.554 1.00 0.00 H new ATOM 0 HD22 ASN B 69 10.018 15.347 1.621 1.00 0.00 H new ATOM 2169 N PHE B 70 7.532 14.346 5.592 1.00 0.00 N ATOM 2170 CA PHE B 70 6.119 14.111 5.778 1.00 0.00 C ATOM 2171 C PHE B 70 5.368 14.958 4.767 1.00 0.00 C ATOM 2172 O PHE B 70 4.932 16.069 5.072 1.00 0.00 O ATOM 2173 CB PHE B 70 5.664 14.433 7.205 1.00 0.00 C ATOM 2174 CG PHE B 70 4.228 14.059 7.466 1.00 0.00 C ATOM 2175 CD1 PHE B 70 3.860 12.728 7.586 1.00 0.00 C ATOM 2176 CD2 PHE B 70 3.249 15.034 7.575 1.00 0.00 C ATOM 2177 CE1 PHE B 70 2.543 12.377 7.815 1.00 0.00 C ATOM 2178 CE2 PHE B 70 1.930 14.688 7.802 1.00 0.00 C ATOM 2179 CZ PHE B 70 1.577 13.358 7.920 1.00 0.00 C ATOM 0 H PHE B 70 7.854 15.273 5.870 1.00 0.00 H new ATOM 0 HA PHE B 70 5.907 13.053 5.623 1.00 0.00 H new ATOM 0 HB2 PHE B 70 6.305 13.906 7.912 1.00 0.00 H new ATOM 0 HB3 PHE B 70 5.795 15.499 7.390 1.00 0.00 H new ATOM 0 HD1 PHE B 70 4.611 11.957 7.500 1.00 0.00 H new ATOM 0 HD2 PHE B 70 3.520 16.075 7.482 1.00 0.00 H new ATOM 0 HE1 PHE B 70 2.270 11.337 7.912 1.00 0.00 H new ATOM 0 HE2 PHE B 70 1.176 15.457 7.887 1.00 0.00 H new ATOM 0 HZ PHE B 70 0.547 13.086 8.094 1.00 0.00 H new ATOM 2189 N GLY B 71 5.298 14.460 3.538 1.00 0.00 N ATOM 2190 CA GLY B 71 4.630 15.189 2.485 1.00 0.00 C ATOM 2191 C GLY B 71 3.158 15.322 2.764 1.00 0.00 C ATOM 2192 O GLY B 71 2.644 16.426 2.959 1.00 0.00 O ATOM 0 H GLY B 71 5.693 13.563 3.255 1.00 0.00 H new ATOM 0 HA2 GLY B 71 5.075 16.179 2.386 1.00 0.00 H new ATOM 0 HA3 GLY B 71 4.778 14.677 1.534 1.00 0.00 H new ATOM 2196 N ALA B 72 2.468 14.201 2.753 1.00 0.00 N ATOM 2197 CA ALA B 72 1.077 14.171 3.158 1.00 0.00 C ATOM 2198 C ALA B 72 0.812 12.923 3.983 1.00 0.00 C ATOM 2199 O ALA B 72 1.705 12.097 4.162 1.00 0.00 O ATOM 2200 CB ALA B 72 0.158 14.259 1.948 1.00 0.00 C ATOM 0 H ALA B 72 2.847 13.298 2.468 1.00 0.00 H new ATOM 0 HA ALA B 72 0.864 15.040 3.780 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -0.881 14.235 2.277 1.00 0.00 H new ATOM 0 HB2 ALA B 72 0.348 15.190 1.414 1.00 0.00 H new ATOM 0 HB3 ALA B 72 0.348 13.415 1.285 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.402 12.774 4.474 1.00 0.00 N ATOM 2207 CA GLY B 73 -0.735 11.603 5.258 1.00 0.00 C ATOM 2208 C GLY B 73 -2.084 11.041 4.878 1.00 0.00 C ATOM 2209 O GLY B 73 -3.012 11.800 4.603 1.00 0.00 O ATOM 0 H GLY B 73 -1.165 13.439 4.346 1.00 0.00 H new ATOM 0 HA2 GLY B 73 0.030 10.840 5.115 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -0.734 11.862 6.317 1.00 0.00 H new ATOM 2213 N ILE B 74 -2.193 9.717 4.854 1.00 0.00 N ATOM 2214 CA ILE B 74 -3.457 9.061 4.529 1.00 0.00 C ATOM 2215 C ILE B 74 -4.541 9.478 5.519 1.00 0.00 C ATOM 2216 O ILE B 74 -5.681 9.742 5.135 1.00 0.00 O ATOM 2217 CB ILE B 74 -3.314 7.521 4.525 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -2.309 7.083 3.454 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -4.661 6.845 4.300 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -2.684 7.509 2.049 1.00 0.00 C ATOM 0 H ILE B 74 -1.424 9.077 5.055 1.00 0.00 H new ATOM 0 HA ILE B 74 -3.743 9.377 3.526 1.00 0.00 H new ATOM 0 HB ILE B 74 -2.943 7.213 5.502 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.330 7.495 3.699 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -2.214 5.997 3.481 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -4.530 5.763 4.302 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -5.348 7.129 5.097 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -5.070 7.159 3.340 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -1.924 7.162 1.349 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -3.648 7.076 1.783 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.750 8.596 2.004 1.00 0.00 H new ATOM 2232 N ASP B 75 -4.161 9.567 6.791 1.00 0.00 N ATOM 2233 CA ASP B 75 -5.072 9.996 7.851 1.00 0.00 C ATOM 2234 C ASP B 75 -5.623 11.384 7.560 1.00 0.00 C ATOM 2235 O ASP B 75 -6.777 11.690 7.862 1.00 0.00 O ATOM 2236 CB ASP B 75 -4.343 10.036 9.197 1.00 0.00 C ATOM 2237 CG ASP B 75 -3.648 8.737 9.536 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -2.484 8.558 9.119 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -4.251 7.900 10.235 1.00 0.00 O ATOM 0 H ASP B 75 -3.220 9.346 7.116 1.00 0.00 H new ATOM 0 HA ASP B 75 -5.892 9.279 7.892 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -3.608 10.841 9.181 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -5.059 10.274 9.984 1.00 0.00 H new ATOM 2244 N ASP B 76 -4.788 12.219 6.961 1.00 0.00 N ATOM 2245 CA ASP B 76 -5.135 13.611 6.718 1.00 0.00 C ATOM 2246 C ASP B 76 -5.959 13.755 5.444 1.00 0.00 C ATOM 2247 O ASP B 76 -6.862 14.591 5.369 1.00 0.00 O ATOM 2248 CB ASP B 76 -3.866 14.458 6.626 1.00 0.00 C ATOM 2249 CG ASP B 76 -4.165 15.937 6.515 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -4.569 16.540 7.532 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -3.986 16.505 5.418 1.00 0.00 O ATOM 0 H ASP B 76 -3.859 11.955 6.632 1.00 0.00 H new ATOM 0 HA ASP B 76 -5.740 13.964 7.553 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -3.249 14.280 7.507 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -3.284 14.142 5.760 1.00 0.00 H new ATOM 2256 N LEU B 77 -5.649 12.931 4.448 1.00 0.00 N ATOM 2257 CA LEU B 77 -6.370 12.952 3.179 1.00 0.00 C ATOM 2258 C LEU B 77 -7.766 12.356 3.339 1.00 0.00 C ATOM 2259 O LEU B 77 -8.673 12.654 2.559 1.00 0.00 O ATOM 2260 CB LEU B 77 -5.596 12.183 2.105 1.00 0.00 C ATOM 2261 CG LEU B 77 -4.226 12.764 1.742 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -3.553 11.913 0.678 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -4.364 14.203 1.265 1.00 0.00 C ATOM 0 H LEU B 77 -4.901 12.239 4.495 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.467 13.992 2.866 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -5.458 11.157 2.445 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -6.205 12.141 1.202 1.00 0.00 H new ATOM 0 HG LEU B 77 -3.602 12.757 2.636 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.581 12.340 0.432 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -3.419 10.899 1.054 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -4.176 11.889 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -3.380 14.598 1.012 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -5.005 14.234 0.384 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -4.805 14.808 2.057 1.00 0.00 H new ATOM 2275 N LYS B 78 -7.925 11.506 4.347 1.00 0.00 N ATOM 2276 CA LYS B 78 -9.219 10.910 4.652 1.00 0.00 C ATOM 2277 C LYS B 78 -10.166 11.940 5.257 1.00 0.00 C ATOM 2278 O LYS B 78 -10.205 12.132 6.472 1.00 0.00 O ATOM 2279 CB LYS B 78 -9.058 9.720 5.605 1.00 0.00 C ATOM 2280 CG LYS B 78 -8.643 8.423 4.921 1.00 0.00 C ATOM 2281 CD LYS B 78 -9.849 7.600 4.480 1.00 0.00 C ATOM 2282 CE LYS B 78 -10.700 8.328 3.450 1.00 0.00 C ATOM 2283 NZ LYS B 78 -11.924 7.563 3.101 1.00 0.00 N ATOM 0 H LYS B 78 -7.171 11.214 4.968 1.00 0.00 H new ATOM 0 HA LYS B 78 -9.649 10.553 3.716 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -8.315 9.973 6.361 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -10.001 9.557 6.127 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -8.024 8.652 4.054 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -8.031 7.833 5.603 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -9.507 6.654 4.062 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -10.461 7.361 5.350 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -10.982 9.306 3.839 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -10.111 8.501 2.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -12.476 8.093 2.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -11.655 6.639 2.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -12.499 7.420 3.955 1.00 0.00 H new