USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 594 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 12 HIS : no HE2:sc= -5.09! C(o=-4.1!,f=-5.7!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= -0.0461 X(o=-4.1,f=-4.3) USER MOD Set 1.3: B 40 CYS SG : rot -144:sc= 0.421 USER MOD Set 1.4: B 42 GLN : amide:sc= -0.0695 X(o=-4.1,f=-4.4) USER MOD Set 1.5: B 43 CYS SG : rot 139:sc= 0.635 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -5.07! C(o=-4.1!,f=-5.7!) USER MOD Set 2.2: A 16 HIS : no HE2:sc= -0.0491 X(o=-4.1,f=-4.4) USER MOD Set 2.3: A 40 CYS SG : rot -144:sc= 0.427 USER MOD Set 2.4: A 42 GLN : amide:sc= -0.0542 X(o=-4.1,f=-4.4) USER MOD Set 2.5: A 43 CYS SG : rot 140:sc= 0.679 USER MOD Single : A 9 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.6) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -0.0485 (180deg=-0.308) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -131:sc= 0.254 USER MOD Single : A 18 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.578 (180deg=-1.02) USER MOD Single : A 23 SER OG : rot 67:sc= 1.2 USER MOD Single : A 24 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 0.179 (180deg=0.156) USER MOD Single : A 30 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.39) USER MOD Single : A 35 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.24) USER MOD Single : A 38 ASN : amide:sc= -0.449 K(o=-0.45,f=-2.2!) USER MOD Single : A 39 SER OG : rot 83:sc= 0.344 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.78 F(o=-1.3,f=-0.78) USER MOD Single : B 9 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.5) USER MOD Single : B 14 LYS NZ :NH3+ -157:sc= -0.0551 (180deg=-0.36) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -131:sc= 0.337 USER MOD Single : B 18 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : B 20 LYS NZ :NH3+ 163:sc= -0.579 (180deg=-1.02) USER MOD Single : B 23 SER OG : rot 94:sc= 1.12 USER MOD Single : B 24 HIS : no HD1:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : B 25 LYS NZ :NH3+ -175:sc= 0.184 (180deg=0.18) USER MOD Single : B 30 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.39) USER MOD Single : B 35 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.24) USER MOD Single : B 38 ASN : amide:sc= -0.411 K(o=-0.41,f=-2.3!) USER MOD Single : B 39 SER OG : rot 83:sc= 0.352 USER MOD Single : B 44 GLN :FLIP amide:sc= -0.727 F(o=-1.3,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 6 -8.808 -6.693 -12.059 1.00 0.00 N ATOM 99 CA GLU A 6 -9.362 -5.917 -13.167 1.00 0.00 C ATOM 100 C GLU A 6 -10.891 -5.995 -13.177 1.00 0.00 C ATOM 101 O GLU A 6 -11.570 -4.968 -13.175 1.00 0.00 O ATOM 102 CB GLU A 6 -8.801 -6.406 -14.506 1.00 0.00 C ATOM 103 CG GLU A 6 -7.607 -5.603 -14.993 1.00 0.00 C ATOM 104 CD GLU A 6 -7.314 -5.832 -16.464 1.00 0.00 C ATOM 105 OE1 GLU A 6 -7.555 -6.955 -16.950 1.00 0.00 O ATOM 106 OE2 GLU A 6 -6.844 -4.885 -17.129 1.00 0.00 O ATOM 0 HA GLU A 6 -9.069 -4.877 -13.025 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.510 -7.452 -14.409 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.589 -6.363 -15.258 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.793 -4.542 -14.824 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.729 -5.870 -14.405 1.00 0.00 H new ATOM 113 N PRO A 7 -11.464 -7.221 -13.181 1.00 0.00 N ATOM 114 CA PRO A 7 -12.920 -7.415 -13.185 1.00 0.00 C ATOM 115 C PRO A 7 -13.632 -6.529 -12.166 1.00 0.00 C ATOM 116 O PRO A 7 -14.729 -6.032 -12.417 1.00 0.00 O ATOM 117 CB PRO A 7 -13.073 -8.888 -12.808 1.00 0.00 C ATOM 118 CG PRO A 7 -11.834 -9.536 -13.316 1.00 0.00 C ATOM 119 CD PRO A 7 -10.741 -8.511 -13.179 1.00 0.00 C ATOM 0 HA PRO A 7 -13.365 -7.152 -14.145 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.172 -9.013 -11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.963 -9.323 -13.263 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.601 -10.434 -12.743 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.953 -9.843 -14.355 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.175 -8.651 -12.258 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.030 -8.572 -14.003 1.00 0.00 H new ATOM 127 N ALA A 8 -12.997 -6.337 -11.014 1.00 0.00 N ATOM 128 CA ALA A 8 -13.564 -5.509 -9.957 1.00 0.00 C ATOM 129 C ALA A 8 -13.594 -4.042 -10.368 1.00 0.00 C ATOM 130 O ALA A 8 -14.514 -3.306 -10.011 1.00 0.00 O ATOM 131 CB ALA A 8 -12.772 -5.683 -8.670 1.00 0.00 C ATOM 0 H ALA A 8 -12.089 -6.744 -10.789 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.591 -5.832 -9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.206 -5.059 -7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.805 -6.728 -8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.736 -5.387 -8.837 1.00 0.00 H new ATOM 137 N GLN A 9 -12.583 -3.625 -11.124 1.00 0.00 N ATOM 138 CA GLN A 9 -12.496 -2.245 -11.588 1.00 0.00 C ATOM 139 C GLN A 9 -13.625 -1.930 -12.562 1.00 0.00 C ATOM 140 O GLN A 9 -14.181 -0.832 -12.551 1.00 0.00 O ATOM 141 CB GLN A 9 -11.143 -1.993 -12.256 1.00 0.00 C ATOM 142 CG GLN A 9 -9.990 -1.881 -11.271 1.00 0.00 C ATOM 143 CD GLN A 9 -8.668 -2.320 -11.869 1.00 0.00 C ATOM 144 OE1 GLN A 9 -8.537 -2.451 -13.086 1.00 0.00 O ATOM 145 NE2 GLN A 9 -7.678 -2.547 -11.015 1.00 0.00 N ATOM 0 H GLN A 9 -11.814 -4.222 -11.428 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.592 -1.589 -10.723 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.936 -2.803 -12.955 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.201 -1.075 -12.841 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.906 -0.849 -10.931 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.207 -2.489 -10.393 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.830 -2.426 -10.014 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.765 -2.842 -11.360 1.00 0.00 H new ATOM 154 N GLU A 10 -13.962 -2.905 -13.402 1.00 0.00 N ATOM 155 CA GLU A 10 -15.030 -2.734 -14.380 1.00 0.00 C ATOM 156 C GLU A 10 -16.391 -2.713 -13.693 1.00 0.00 C ATOM 157 O GLU A 10 -17.320 -2.045 -14.152 1.00 0.00 O ATOM 158 CB GLU A 10 -14.984 -3.858 -15.416 1.00 0.00 C ATOM 159 CG GLU A 10 -13.724 -3.852 -16.268 1.00 0.00 C ATOM 160 CD GLU A 10 -13.703 -4.966 -17.296 1.00 0.00 C ATOM 161 OE1 GLU A 10 -14.772 -5.560 -17.550 1.00 0.00 O ATOM 162 OE2 GLU A 10 -12.617 -5.246 -17.846 1.00 0.00 O ATOM 0 H GLU A 10 -13.511 -3.820 -13.424 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.882 -1.780 -14.885 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.061 -4.817 -14.903 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.853 -3.775 -16.068 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.640 -2.892 -16.778 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.853 -3.946 -15.620 1.00 0.00 H new ATOM 169 N GLU A 11 -16.504 -3.447 -12.589 1.00 0.00 N ATOM 170 CA GLU A 11 -17.749 -3.514 -11.834 1.00 0.00 C ATOM 171 C GLU A 11 -18.069 -2.169 -11.196 1.00 0.00 C ATOM 172 O GLU A 11 -19.215 -1.721 -11.224 1.00 0.00 O ATOM 173 CB GLU A 11 -17.658 -4.594 -10.754 1.00 0.00 C ATOM 174 CG GLU A 11 -18.970 -4.840 -10.026 1.00 0.00 C ATOM 175 CD GLU A 11 -20.065 -5.337 -10.949 1.00 0.00 C ATOM 176 OE1 GLU A 11 -19.734 -5.895 -12.017 1.00 0.00 O ATOM 177 OE2 GLU A 11 -21.253 -5.171 -10.605 1.00 0.00 O ATOM 0 H GLU A 11 -15.745 -4.005 -12.198 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.551 -3.769 -12.526 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.326 -5.526 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.898 -4.306 -10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.810 -5.570 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.295 -3.916 -9.548 1.00 0.00 H new ATOM 184 N HIS A 12 -17.058 -1.524 -10.623 1.00 0.00 N ATOM 185 CA HIS A 12 -17.262 -0.232 -9.987 1.00 0.00 C ATOM 186 C HIS A 12 -17.717 0.807 -11.010 1.00 0.00 C ATOM 187 O HIS A 12 -18.572 1.640 -10.727 1.00 0.00 O ATOM 188 CB HIS A 12 -15.991 0.259 -9.282 1.00 0.00 C ATOM 189 CG HIS A 12 -16.222 1.547 -8.563 1.00 0.00 C ATOM 190 ND1 HIS A 12 -16.252 1.678 -7.191 1.00 0.00 N ATOM 191 CD2 HIS A 12 -16.565 2.752 -9.067 1.00 0.00 C ATOM 192 CE1 HIS A 12 -16.625 2.936 -6.911 1.00 0.00 C ATOM 193 NE2 HIS A 12 -16.825 3.624 -8.016 1.00 0.00 N ATOM 0 H HIS A 12 -16.100 -1.872 -10.587 1.00 0.00 H new ATOM 0 HA HIS A 12 -18.041 -0.362 -9.235 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -15.652 -0.497 -8.574 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.195 0.389 -10.015 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -16.031 0.950 -6.512 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.627 2.998 -10.117 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.745 3.331 -5.913 1.00 0.00 H new ATOM 201 N GLU A 13 -17.131 0.762 -12.194 1.00 0.00 N ATOM 202 CA GLU A 13 -17.468 1.709 -13.251 1.00 0.00 C ATOM 203 C GLU A 13 -18.912 1.545 -13.739 1.00 0.00 C ATOM 204 O GLU A 13 -19.411 2.390 -14.483 1.00 0.00 O ATOM 205 CB GLU A 13 -16.505 1.543 -14.428 1.00 0.00 C ATOM 206 CG GLU A 13 -15.043 1.700 -14.044 1.00 0.00 C ATOM 207 CD GLU A 13 -14.505 3.083 -14.352 1.00 0.00 C ATOM 208 OE1 GLU A 13 -15.301 4.045 -14.341 1.00 0.00 O ATOM 209 OE2 GLU A 13 -13.287 3.204 -14.604 1.00 0.00 O ATOM 0 H GLU A 13 -16.418 0.080 -12.451 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.374 2.710 -12.831 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.652 0.558 -14.871 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.752 2.277 -15.195 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.927 1.498 -12.979 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.450 0.956 -14.576 1.00 0.00 H new ATOM 216 N LYS A 14 -19.578 0.457 -13.349 1.00 0.00 N ATOM 217 CA LYS A 14 -20.950 0.215 -13.789 1.00 0.00 C ATOM 218 C LYS A 14 -21.978 0.440 -12.676 1.00 0.00 C ATOM 219 O LYS A 14 -23.162 0.628 -12.959 1.00 0.00 O ATOM 220 CB LYS A 14 -21.077 -1.210 -14.337 1.00 0.00 C ATOM 221 CG LYS A 14 -21.894 -1.300 -15.617 1.00 0.00 C ATOM 222 CD LYS A 14 -22.346 -2.726 -15.890 1.00 0.00 C ATOM 223 CE LYS A 14 -21.349 -3.472 -16.763 1.00 0.00 C ATOM 224 NZ LYS A 14 -21.310 -2.933 -18.152 1.00 0.00 N ATOM 0 H LYS A 14 -19.194 -0.262 -12.736 1.00 0.00 H new ATOM 0 HA LYS A 14 -21.167 0.939 -14.574 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.080 -1.609 -14.524 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -21.536 -1.843 -13.578 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -22.765 -0.649 -15.540 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -21.299 -0.939 -16.456 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.471 -3.256 -14.946 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.320 -2.712 -16.379 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -20.356 -3.403 -16.319 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -21.612 -4.529 -16.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.915 -3.651 -18.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -22.274 -2.689 -18.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -20.713 -2.082 -18.177 1.00 0.00 H new ATOM 238 N TYR A 15 -21.545 0.411 -11.416 1.00 0.00 N ATOM 239 CA TYR A 15 -22.476 0.604 -10.299 1.00 0.00 C ATOM 240 C TYR A 15 -21.827 1.300 -9.097 1.00 0.00 C ATOM 241 O TYR A 15 -22.376 1.264 -7.995 1.00 0.00 O ATOM 242 CB TYR A 15 -23.031 -0.748 -9.851 1.00 0.00 C ATOM 243 CG TYR A 15 -23.604 -1.580 -10.976 1.00 0.00 C ATOM 244 CD1 TYR A 15 -24.913 -1.394 -11.403 1.00 0.00 C ATOM 245 CD2 TYR A 15 -22.839 -2.556 -11.605 1.00 0.00 C ATOM 246 CE1 TYR A 15 -25.444 -2.156 -12.426 1.00 0.00 C ATOM 247 CE2 TYR A 15 -23.364 -3.321 -12.630 1.00 0.00 C ATOM 248 CZ TYR A 15 -24.665 -3.116 -13.037 1.00 0.00 C ATOM 249 OH TYR A 15 -25.191 -3.877 -14.055 1.00 0.00 O ATOM 0 H TYR A 15 -20.574 0.259 -11.143 1.00 0.00 H new ATOM 0 HA TYR A 15 -23.275 1.250 -10.662 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -22.236 -1.312 -9.364 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -23.807 -0.581 -9.104 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -25.525 -0.642 -10.928 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -21.819 -2.719 -11.288 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -26.464 -2.001 -12.745 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -22.758 -4.075 -13.109 1.00 0.00 H new ATOM 0 HH TYR A 15 -24.512 -4.506 -14.378 1.00 0.00 H new ATOM 259 N HIS A 16 -20.663 1.921 -9.303 1.00 0.00 N ATOM 260 CA HIS A 16 -19.930 2.615 -8.232 1.00 0.00 C ATOM 261 C HIS A 16 -19.956 1.834 -6.913 1.00 0.00 C ATOM 262 O HIS A 16 -20.128 2.410 -5.838 1.00 0.00 O ATOM 263 CB HIS A 16 -20.474 4.030 -8.012 1.00 0.00 C ATOM 264 CG HIS A 16 -20.230 4.960 -9.165 1.00 0.00 C ATOM 265 ND1 HIS A 16 -19.031 5.625 -9.330 1.00 0.00 N ATOM 266 CD2 HIS A 16 -21.061 5.304 -10.177 1.00 0.00 C ATOM 267 CE1 HIS A 16 -19.163 6.348 -10.425 1.00 0.00 C ATOM 268 NE2 HIS A 16 -20.377 6.188 -10.975 1.00 0.00 N ATOM 0 H HIS A 16 -20.201 1.959 -10.211 1.00 0.00 H new ATOM 0 HA HIS A 16 -18.893 2.683 -8.561 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.546 3.972 -7.825 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -20.017 4.450 -7.116 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -18.210 5.568 -8.727 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.070 4.950 -10.328 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -18.392 6.988 -10.828 1.00 0.00 H new ATOM 276 N SER A 17 -19.787 0.519 -7.009 1.00 0.00 N ATOM 277 CA SER A 17 -19.794 -0.344 -5.833 1.00 0.00 C ATOM 278 C SER A 17 -18.712 0.068 -4.842 1.00 0.00 C ATOM 279 O SER A 17 -17.676 0.609 -5.226 1.00 0.00 O ATOM 280 CB SER A 17 -19.595 -1.804 -6.243 1.00 0.00 C ATOM 281 OG SER A 17 -20.572 -2.208 -7.185 1.00 0.00 O ATOM 0 H SER A 17 -19.643 0.027 -7.891 1.00 0.00 H new ATOM 0 HA SER A 17 -20.764 -0.238 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.600 -1.933 -6.669 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.649 -2.443 -5.362 1.00 0.00 H new ATOM 0 HG SER A 17 -20.972 -3.056 -6.899 1.00 0.00 H new ATOM 287 N ASN A 18 -18.960 -0.190 -3.561 1.00 0.00 N ATOM 288 CA ASN A 18 -18.009 0.154 -2.514 1.00 0.00 C ATOM 289 C ASN A 18 -16.932 -0.921 -2.388 1.00 0.00 C ATOM 290 O ASN A 18 -16.806 -1.791 -3.252 1.00 0.00 O ATOM 291 CB ASN A 18 -18.731 0.328 -1.174 1.00 0.00 C ATOM 292 CG ASN A 18 -19.980 1.180 -1.292 1.00 0.00 C ATOM 293 OD1 ASN A 18 -19.930 2.399 -1.139 1.00 0.00 O ATOM 294 ND2 ASN A 18 -21.110 0.536 -1.560 1.00 0.00 N ATOM 0 H ASN A 18 -19.813 -0.637 -3.225 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.532 1.096 -2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.000 -0.652 -0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.051 0.785 -0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -21.984 1.054 -1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -21.104 -0.477 -1.679 1.00 0.00 H new ATOM 301 N VAL A 19 -16.162 -0.859 -1.307 1.00 0.00 N ATOM 302 CA VAL A 19 -15.099 -1.828 -1.067 1.00 0.00 C ATOM 303 C VAL A 19 -15.674 -3.172 -0.637 1.00 0.00 C ATOM 304 O VAL A 19 -15.295 -4.219 -1.159 1.00 0.00 O ATOM 305 CB VAL A 19 -14.122 -1.332 0.018 1.00 0.00 C ATOM 306 CG1 VAL A 19 -12.932 -2.272 0.138 1.00 0.00 C ATOM 307 CG2 VAL A 19 -13.661 0.085 -0.280 1.00 0.00 C ATOM 0 H VAL A 19 -16.254 -0.147 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.558 -1.947 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.648 -1.324 0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.254 -1.905 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.281 -3.269 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.406 -2.317 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.973 0.415 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.155 0.108 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.524 0.750 -0.307 1.00 0.00 H new ATOM 317 N LYS A 20 -16.590 -3.133 0.326 1.00 0.00 N ATOM 318 CA LYS A 20 -17.221 -4.346 0.837 1.00 0.00 C ATOM 319 C LYS A 20 -17.911 -5.125 -0.279 1.00 0.00 C ATOM 320 O LYS A 20 -17.812 -6.349 -0.348 1.00 0.00 O ATOM 321 CB LYS A 20 -18.233 -3.998 1.932 1.00 0.00 C ATOM 322 CG LYS A 20 -18.296 -5.025 3.050 1.00 0.00 C ATOM 323 CD LYS A 20 -19.248 -6.161 2.711 1.00 0.00 C ATOM 324 CE LYS A 20 -20.653 -5.882 3.221 1.00 0.00 C ATOM 325 NZ LYS A 20 -21.305 -4.772 2.473 1.00 0.00 N ATOM 0 H LYS A 20 -16.913 -2.273 0.769 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.438 -4.976 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.978 -3.027 2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.222 -3.900 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.299 -5.427 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.619 -4.541 3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.274 -6.305 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.879 -7.089 3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.258 -6.784 3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.611 -5.630 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.333 -4.808 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.936 -3.861 2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.102 -4.871 1.458 1.00 0.00 H new ATOM 339 N GLU A 21 -18.611 -4.405 -1.151 1.00 0.00 N ATOM 340 CA GLU A 21 -19.318 -5.033 -2.263 1.00 0.00 C ATOM 341 C GLU A 21 -18.340 -5.718 -3.211 1.00 0.00 C ATOM 342 O GLU A 21 -18.548 -6.865 -3.610 1.00 0.00 O ATOM 343 CB GLU A 21 -20.138 -3.991 -3.025 1.00 0.00 C ATOM 344 CG GLU A 21 -20.935 -4.571 -4.182 1.00 0.00 C ATOM 345 CD GLU A 21 -21.850 -3.552 -4.829 1.00 0.00 C ATOM 346 OE1 GLU A 21 -22.153 -2.527 -4.181 1.00 0.00 O ATOM 347 OE2 GLU A 21 -22.266 -3.777 -5.986 1.00 0.00 O ATOM 0 H GLU A 21 -18.704 -3.390 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.990 -5.788 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.823 -3.502 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.467 -3.221 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.247 -4.963 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.529 -5.411 -3.823 1.00 0.00 H new ATOM 354 N LEU A 22 -17.276 -5.008 -3.569 1.00 0.00 N ATOM 355 CA LEU A 22 -16.267 -5.548 -4.472 1.00 0.00 C ATOM 356 C LEU A 22 -15.496 -6.684 -3.808 1.00 0.00 C ATOM 357 O LEU A 22 -15.233 -7.715 -4.426 1.00 0.00 O ATOM 358 CB LEU A 22 -15.299 -4.445 -4.906 1.00 0.00 C ATOM 359 CG LEU A 22 -15.936 -3.299 -5.694 1.00 0.00 C ATOM 360 CD1 LEU A 22 -14.992 -2.106 -5.756 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.310 -3.757 -7.094 1.00 0.00 C ATOM 0 H LEU A 22 -17.090 -4.058 -3.248 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.776 -5.943 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.820 -4.033 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.513 -4.891 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 22 -16.846 -2.991 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -15.461 -1.300 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -14.773 -1.762 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -14.065 -2.401 -6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.762 -2.928 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.415 -4.092 -7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -17.022 -4.580 -7.030 1.00 0.00 H new ATOM 373 N SER A 23 -15.135 -6.486 -2.544 1.00 0.00 N ATOM 374 CA SER A 23 -14.395 -7.494 -1.795 1.00 0.00 C ATOM 375 C SER A 23 -15.277 -8.697 -1.474 1.00 0.00 C ATOM 376 O SER A 23 -14.802 -9.829 -1.426 1.00 0.00 O ATOM 377 CB SER A 23 -13.842 -6.890 -0.501 1.00 0.00 C ATOM 378 OG SER A 23 -13.351 -7.899 0.363 1.00 0.00 O ATOM 0 H SER A 23 -15.343 -5.637 -2.018 1.00 0.00 H new ATOM 0 HA SER A 23 -13.566 -7.835 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.042 -6.188 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.625 -6.324 0.004 1.00 0.00 H new ATOM 0 HG SER A 23 -12.562 -8.318 -0.039 1.00 0.00 H new ATOM 384 N HIS A 24 -16.561 -8.443 -1.249 1.00 0.00 N ATOM 385 CA HIS A 24 -17.507 -9.507 -0.931 1.00 0.00 C ATOM 386 C HIS A 24 -17.960 -10.238 -2.192 1.00 0.00 C ATOM 387 O HIS A 24 -18.211 -11.442 -2.169 1.00 0.00 O ATOM 388 CB HIS A 24 -18.721 -8.934 -0.194 1.00 0.00 C ATOM 389 CG HIS A 24 -19.718 -9.973 0.221 1.00 0.00 C ATOM 390 ND1 HIS A 24 -21.044 -9.661 0.400 1.00 0.00 N ATOM 391 CD2 HIS A 24 -19.534 -11.291 0.479 1.00 0.00 C ATOM 392 CE1 HIS A 24 -21.634 -10.786 0.760 1.00 0.00 C ATOM 393 NE2 HIS A 24 -20.760 -11.802 0.822 1.00 0.00 N ATOM 0 H HIS A 24 -16.971 -7.510 -1.281 1.00 0.00 H new ATOM 0 HA HIS A 24 -17.001 -10.224 -0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.378 -8.398 0.691 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.215 -8.205 -0.837 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -18.602 -11.834 0.425 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -22.688 -10.877 0.977 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -20.967 -12.768 1.075 1.00 0.00 H new ATOM 401 N LYS A 25 -18.069 -9.496 -3.291 1.00 0.00 N ATOM 402 CA LYS A 25 -18.501 -10.070 -4.562 1.00 0.00 C ATOM 403 C LYS A 25 -17.355 -10.793 -5.263 1.00 0.00 C ATOM 404 O LYS A 25 -17.545 -11.868 -5.834 1.00 0.00 O ATOM 405 CB LYS A 25 -19.058 -8.973 -5.473 1.00 0.00 C ATOM 406 CG LYS A 25 -19.590 -9.492 -6.800 1.00 0.00 C ATOM 407 CD LYS A 25 -19.854 -8.355 -7.775 1.00 0.00 C ATOM 408 CE LYS A 25 -20.642 -8.826 -8.989 1.00 0.00 C ATOM 409 NZ LYS A 25 -21.800 -7.934 -9.280 1.00 0.00 N ATOM 0 H LYS A 25 -17.864 -8.497 -3.327 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.284 -10.799 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.859 -8.451 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.274 -8.241 -5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.872 -10.187 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.511 -10.050 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.405 -7.562 -7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.906 -7.927 -8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.984 -8.862 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.000 -9.841 -8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.291 -8.269 -10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.458 -7.946 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.460 -6.963 -9.435 1.00 0.00 H new ATOM 423 N PHE A 26 -16.170 -10.195 -5.227 1.00 0.00 N ATOM 424 CA PHE A 26 -15.000 -10.783 -5.871 1.00 0.00 C ATOM 425 C PHE A 26 -14.133 -11.541 -4.868 1.00 0.00 C ATOM 426 O PHE A 26 -13.714 -12.669 -5.128 1.00 0.00 O ATOM 427 CB PHE A 26 -14.177 -9.693 -6.559 1.00 0.00 C ATOM 428 CG PHE A 26 -14.878 -9.069 -7.732 1.00 0.00 C ATOM 429 CD1 PHE A 26 -14.824 -9.659 -8.985 1.00 0.00 C ATOM 430 CD2 PHE A 26 -15.598 -7.893 -7.582 1.00 0.00 C ATOM 431 CE1 PHE A 26 -15.472 -9.090 -10.064 1.00 0.00 C ATOM 432 CE2 PHE A 26 -16.248 -7.318 -8.657 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.185 -7.918 -9.900 1.00 0.00 C ATOM 0 H PHE A 26 -15.993 -9.306 -4.760 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.350 -11.496 -6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.937 -8.916 -5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.231 -10.119 -6.894 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.268 -10.575 -9.119 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.651 -7.421 -6.612 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.421 -9.561 -11.035 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.804 -6.402 -8.526 1.00 0.00 H new ATOM 0 HZ PHE A 26 -16.692 -7.471 -10.742 1.00 0.00 H new ATOM 443 N GLY A 27 -13.866 -10.919 -3.723 1.00 0.00 N ATOM 444 CA GLY A 27 -13.047 -11.563 -2.706 1.00 0.00 C ATOM 445 C GLY A 27 -11.796 -10.772 -2.357 1.00 0.00 C ATOM 446 O GLY A 27 -11.162 -11.031 -1.333 1.00 0.00 O ATOM 0 H GLY A 27 -14.199 -9.986 -3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.643 -11.705 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.757 -12.554 -3.056 1.00 0.00 H new ATOM 450 N ILE A 28 -11.431 -9.811 -3.206 1.00 0.00 N ATOM 451 CA ILE A 28 -10.245 -8.992 -2.973 1.00 0.00 C ATOM 452 C ILE A 28 -10.303 -8.301 -1.607 1.00 0.00 C ATOM 453 O ILE A 28 -11.375 -7.889 -1.164 1.00 0.00 O ATOM 454 CB ILE A 28 -10.077 -7.919 -4.068 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.400 -7.186 -4.304 1.00 0.00 C ATOM 456 CG2 ILE A 28 -9.575 -8.549 -5.357 1.00 0.00 C ATOM 457 CD1 ILE A 28 -11.252 -5.919 -5.118 1.00 0.00 C ATOM 0 H ILE A 28 -11.940 -9.582 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.390 -9.668 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.337 -7.193 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.092 -7.857 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.846 -6.939 -3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.462 -7.778 -6.119 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.611 -9.026 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.291 -9.296 -5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.229 -5.452 -5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.585 -5.229 -4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.835 -6.161 -6.096 1.00 0.00 H new ATOM 469 N PRO A 29 -9.150 -8.162 -0.915 1.00 0.00 N ATOM 470 CA PRO A 29 -9.100 -7.516 0.402 1.00 0.00 C ATOM 471 C PRO A 29 -9.673 -6.104 0.380 1.00 0.00 C ATOM 472 O PRO A 29 -10.342 -5.706 -0.573 1.00 0.00 O ATOM 473 CB PRO A 29 -7.603 -7.476 0.729 1.00 0.00 C ATOM 474 CG PRO A 29 -7.001 -8.562 -0.093 1.00 0.00 C ATOM 475 CD PRO A 29 -7.817 -8.622 -1.353 1.00 0.00 C ATOM 0 HA PRO A 29 -9.697 -8.056 1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.170 -6.507 0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.426 -7.641 1.792 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.955 -8.351 -0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.029 -9.514 0.437 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.405 -7.979 -2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.854 -9.632 -1.761 1.00 0.00 H new ATOM 483 N ASN A 30 -9.404 -5.346 1.441 1.00 0.00 N ATOM 484 CA ASN A 30 -9.891 -3.977 1.550 1.00 0.00 C ATOM 485 C ASN A 30 -8.919 -3.001 0.896 1.00 0.00 C ATOM 486 O ASN A 30 -9.328 -2.027 0.264 1.00 0.00 O ATOM 487 CB ASN A 30 -10.096 -3.609 3.022 1.00 0.00 C ATOM 488 CG ASN A 30 -11.389 -2.853 3.258 1.00 0.00 C ATOM 489 OD1 ASN A 30 -11.388 -1.633 3.422 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.503 -3.575 3.275 1.00 0.00 N ATOM 0 H ASN A 30 -8.850 -5.660 2.238 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.846 -3.910 1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.096 -4.518 3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.257 -3.002 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.403 -3.120 3.428 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.459 -4.584 3.135 1.00 0.00 H new ATOM 497 N LEU A 31 -7.627 -3.268 1.056 1.00 0.00 N ATOM 498 CA LEU A 31 -6.592 -2.415 0.484 1.00 0.00 C ATOM 499 C LEU A 31 -6.699 -2.363 -1.037 1.00 0.00 C ATOM 500 O LEU A 31 -6.637 -1.291 -1.637 1.00 0.00 O ATOM 501 CB LEU A 31 -5.206 -2.919 0.896 1.00 0.00 C ATOM 502 CG LEU A 31 -4.027 -2.145 0.305 1.00 0.00 C ATOM 503 CD1 LEU A 31 -3.657 -0.971 1.198 1.00 0.00 C ATOM 504 CD2 LEU A 31 -2.831 -3.066 0.106 1.00 0.00 C ATOM 0 H LEU A 31 -7.272 -4.069 1.578 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.736 -1.405 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.133 -2.885 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.116 -3.965 0.603 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.325 -1.754 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.816 -0.432 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.511 -0.299 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.379 -1.339 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.001 -2.499 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.532 -3.487 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.102 -3.872 -0.575 1.00 0.00 H new ATOM 516 N VAL A 32 -6.861 -3.530 -1.656 1.00 0.00 N ATOM 517 CA VAL A 32 -6.977 -3.611 -3.107 1.00 0.00 C ATOM 518 C VAL A 32 -8.300 -3.021 -3.582 1.00 0.00 C ATOM 519 O VAL A 32 -8.351 -2.321 -4.594 1.00 0.00 O ATOM 520 CB VAL A 32 -6.870 -5.070 -3.599 1.00 0.00 C ATOM 521 CG1 VAL A 32 -6.855 -5.125 -5.121 1.00 0.00 C ATOM 522 CG2 VAL A 32 -5.630 -5.739 -3.024 1.00 0.00 C ATOM 0 H VAL A 32 -6.915 -4.429 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.152 -3.034 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.746 -5.615 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.779 -6.162 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.775 -4.689 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.000 -4.563 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.572 -6.767 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.742 -5.193 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.687 -5.737 -1.935 1.00 0.00 H new ATOM 532 N ALA A 33 -9.367 -3.307 -2.846 1.00 0.00 N ATOM 533 CA ALA A 33 -10.690 -2.805 -3.190 1.00 0.00 C ATOM 534 C ALA A 33 -10.761 -1.292 -3.031 1.00 0.00 C ATOM 535 O ALA A 33 -11.478 -0.613 -3.768 1.00 0.00 O ATOM 536 CB ALA A 33 -11.749 -3.479 -2.333 1.00 0.00 C ATOM 0 H ALA A 33 -9.341 -3.885 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.881 -3.043 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.733 -3.094 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.722 -4.556 -2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.552 -3.271 -1.281 1.00 0.00 H new ATOM 542 N ARG A 34 -10.013 -0.764 -2.067 1.00 0.00 N ATOM 543 CA ARG A 34 -9.996 0.673 -1.817 1.00 0.00 C ATOM 544 C ARG A 34 -9.359 1.416 -2.986 1.00 0.00 C ATOM 545 O ARG A 34 -9.762 2.530 -3.320 1.00 0.00 O ATOM 546 CB ARG A 34 -9.237 0.979 -0.526 1.00 0.00 C ATOM 547 CG ARG A 34 -10.112 0.963 0.715 1.00 0.00 C ATOM 548 CD ARG A 34 -9.379 1.529 1.919 1.00 0.00 C ATOM 549 NE ARG A 34 -9.068 2.948 1.751 1.00 0.00 N ATOM 550 CZ ARG A 34 -8.653 3.743 2.738 1.00 0.00 C ATOM 551 NH1 ARG A 34 -8.489 3.268 3.968 1.00 0.00 N ATOM 552 NH2 ARG A 34 -8.398 5.021 2.492 1.00 0.00 N ATOM 0 H ARG A 34 -9.412 -1.308 -1.448 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.026 1.013 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.436 0.250 -0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.766 1.958 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.016 1.544 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.427 -0.059 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.990 1.394 2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.456 0.971 2.077 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.175 3.355 0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.681 2.286 4.165 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.171 3.886 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.519 5.393 1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.080 5.632 3.245 1.00 0.00 H new ATOM 566 N GLN A 35 -8.362 0.793 -3.607 1.00 0.00 N ATOM 567 CA GLN A 35 -7.671 1.396 -4.741 1.00 0.00 C ATOM 568 C GLN A 35 -8.638 1.647 -5.892 1.00 0.00 C ATOM 569 O GLN A 35 -8.514 2.630 -6.620 1.00 0.00 O ATOM 570 CB GLN A 35 -6.527 0.495 -5.209 1.00 0.00 C ATOM 571 CG GLN A 35 -5.328 0.500 -4.277 1.00 0.00 C ATOM 572 CD GLN A 35 -4.622 1.841 -4.244 1.00 0.00 C ATOM 573 OE1 GLN A 35 -4.902 2.681 -3.389 1.00 0.00 O ATOM 574 NE2 GLN A 35 -3.698 2.047 -5.175 1.00 0.00 N ATOM 0 H GLN A 35 -8.015 -0.129 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.260 2.352 -4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.896 -0.526 -5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.207 0.814 -6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.654 0.240 -3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.624 -0.270 -4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.498 1.322 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.188 2.930 -5.201 1.00 0.00 H new ATOM 583 N ILE A 36 -9.606 0.748 -6.049 1.00 0.00 N ATOM 584 CA ILE A 36 -10.598 0.871 -7.110 1.00 0.00 C ATOM 585 C ILE A 36 -11.507 2.068 -6.858 1.00 0.00 C ATOM 586 O ILE A 36 -11.658 2.937 -7.718 1.00 0.00 O ATOM 587 CB ILE A 36 -11.458 -0.405 -7.229 1.00 0.00 C ATOM 588 CG1 ILE A 36 -10.563 -1.643 -7.324 1.00 0.00 C ATOM 589 CG2 ILE A 36 -12.376 -0.317 -8.439 1.00 0.00 C ATOM 590 CD1 ILE A 36 -11.334 -2.940 -7.430 1.00 0.00 C ATOM 0 H ILE A 36 -9.723 -0.073 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.056 1.015 -8.045 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.075 -0.492 -6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.912 -1.545 -8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.919 -1.684 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.975 -1.225 -8.508 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.034 0.545 -8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.777 -0.208 -9.343 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.635 -3.774 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.965 -3.061 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.958 -2.920 -8.323 1.00 0.00 H new ATOM 602 N VAL A 37 -12.104 2.113 -5.671 1.00 0.00 N ATOM 603 CA VAL A 37 -12.989 3.209 -5.304 1.00 0.00 C ATOM 604 C VAL A 37 -12.211 4.518 -5.220 1.00 0.00 C ATOM 605 O VAL A 37 -12.707 5.573 -5.616 1.00 0.00 O ATOM 606 CB VAL A 37 -13.687 2.937 -3.955 1.00 0.00 C ATOM 607 CG1 VAL A 37 -14.679 4.044 -3.627 1.00 0.00 C ATOM 608 CG2 VAL A 37 -14.382 1.585 -3.979 1.00 0.00 C ATOM 0 H VAL A 37 -11.990 1.402 -4.948 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.751 3.290 -6.079 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.927 2.921 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.159 3.831 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.153 4.997 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -15.436 4.098 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.869 1.409 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.129 1.574 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.647 0.801 -4.162 1.00 0.00 H new ATOM 618 N ASN A 38 -10.985 4.437 -4.711 1.00 0.00 N ATOM 619 CA ASN A 38 -10.133 5.613 -4.584 1.00 0.00 C ATOM 620 C ASN A 38 -9.827 6.199 -5.958 1.00 0.00 C ATOM 621 O ASN A 38 -9.767 7.418 -6.126 1.00 0.00 O ATOM 622 CB ASN A 38 -8.827 5.250 -3.873 1.00 0.00 C ATOM 623 CG ASN A 38 -8.990 5.177 -2.368 1.00 0.00 C ATOM 624 OD1 ASN A 38 -9.970 5.671 -1.812 1.00 0.00 O ATOM 625 ND2 ASN A 38 -8.022 4.561 -1.698 1.00 0.00 N ATOM 0 H ASN A 38 -10.561 3.570 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.664 6.359 -3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.469 4.290 -4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.065 5.990 -4.118 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.074 4.484 -0.682 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.227 4.165 -2.199 1.00 0.00 H new ATOM 632 N SER A 39 -9.638 5.322 -6.938 1.00 0.00 N ATOM 633 CA SER A 39 -9.343 5.751 -8.300 1.00 0.00 C ATOM 634 C SER A 39 -10.516 6.528 -8.884 1.00 0.00 C ATOM 635 O SER A 39 -10.329 7.447 -9.681 1.00 0.00 O ATOM 636 CB SER A 39 -9.026 4.538 -9.179 1.00 0.00 C ATOM 637 OG SER A 39 -7.678 4.135 -9.022 1.00 0.00 O ATOM 0 H SER A 39 -9.684 4.311 -6.815 1.00 0.00 H new ATOM 0 HA SER A 39 -8.473 6.407 -8.273 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.689 3.713 -8.918 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.217 4.782 -10.224 1.00 0.00 H new ATOM 0 HG SER A 39 -7.598 3.564 -8.230 1.00 0.00 H new ATOM 643 N CYS A 40 -11.726 6.157 -8.478 1.00 0.00 N ATOM 644 CA CYS A 40 -12.931 6.825 -8.957 1.00 0.00 C ATOM 645 C CYS A 40 -12.954 8.282 -8.505 1.00 0.00 C ATOM 646 O CYS A 40 -12.991 8.570 -7.308 1.00 0.00 O ATOM 647 CB CYS A 40 -14.181 6.102 -8.456 1.00 0.00 C ATOM 648 SG CYS A 40 -15.727 6.796 -9.091 1.00 0.00 S ATOM 0 H CYS A 40 -11.898 5.398 -7.819 1.00 0.00 H new ATOM 0 HA CYS A 40 -12.923 6.798 -10.047 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -14.121 5.052 -8.741 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.198 6.137 -7.367 1.00 0.00 H new ATOM 0 HG CYS A 40 -16.643 6.730 -8.171 1.00 0.00 H new ATOM 653 N ALA A 41 -12.927 9.195 -9.468 1.00 0.00 N ATOM 654 CA ALA A 41 -12.940 10.624 -9.169 1.00 0.00 C ATOM 655 C ALA A 41 -14.301 11.076 -8.649 1.00 0.00 C ATOM 656 O ALA A 41 -14.396 12.049 -7.899 1.00 0.00 O ATOM 657 CB ALA A 41 -12.559 11.422 -10.408 1.00 0.00 C ATOM 0 H ALA A 41 -12.896 8.973 -10.463 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.207 10.807 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.572 12.486 -10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.559 11.134 -10.733 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.273 11.218 -11.206 1.00 0.00 H new ATOM 663 N GLN A 42 -15.352 10.373 -9.053 1.00 0.00 N ATOM 664 CA GLN A 42 -16.708 10.712 -8.632 1.00 0.00 C ATOM 665 C GLN A 42 -16.998 10.223 -7.213 1.00 0.00 C ATOM 666 O GLN A 42 -17.885 10.750 -6.541 1.00 0.00 O ATOM 667 CB GLN A 42 -17.725 10.112 -9.604 1.00 0.00 C ATOM 668 CG GLN A 42 -17.580 10.618 -11.028 1.00 0.00 C ATOM 669 CD GLN A 42 -18.637 10.056 -11.958 1.00 0.00 C ATOM 670 OE1 GLN A 42 -18.706 8.847 -12.178 1.00 0.00 O ATOM 671 NE2 GLN A 42 -19.467 10.933 -12.509 1.00 0.00 N ATOM 0 H GLN A 42 -15.293 9.564 -9.672 1.00 0.00 H new ATOM 0 HA GLN A 42 -16.793 11.799 -8.637 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -17.621 9.027 -9.601 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -18.731 10.337 -9.249 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -17.641 11.706 -11.031 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -16.592 10.353 -11.405 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -19.373 11.926 -12.298 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -20.199 10.613 -13.143 1.00 0.00 H new ATOM 680 N CYS A 43 -16.263 9.210 -6.763 1.00 0.00 N ATOM 681 CA CYS A 43 -16.468 8.658 -5.430 1.00 0.00 C ATOM 682 C CYS A 43 -15.446 9.198 -4.429 1.00 0.00 C ATOM 683 O CYS A 43 -15.716 9.250 -3.229 1.00 0.00 O ATOM 684 CB CYS A 43 -16.400 7.129 -5.477 1.00 0.00 C ATOM 685 SG CYS A 43 -17.916 6.340 -6.066 1.00 0.00 S ATOM 0 H CYS A 43 -15.523 8.757 -7.300 1.00 0.00 H new ATOM 0 HA CYS A 43 -17.457 8.967 -5.093 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -15.574 6.833 -6.124 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -16.173 6.755 -4.479 1.00 0.00 H new ATOM 0 HG CYS A 43 -17.613 5.341 -6.840 1.00 0.00 H new ATOM 690 N GLN A 44 -14.276 9.592 -4.921 1.00 0.00 N ATOM 691 CA GLN A 44 -13.228 10.120 -4.051 1.00 0.00 C ATOM 692 C GLN A 44 -13.673 11.410 -3.366 1.00 0.00 C ATOM 693 O GLN A 44 -13.428 11.611 -2.177 1.00 0.00 O ATOM 694 CB GLN A 44 -11.936 10.355 -4.847 1.00 0.00 C ATOM 695 CG GLN A 44 -12.003 11.529 -5.813 1.00 0.00 C ATOM 696 CD GLN A 44 -10.677 11.794 -6.499 1.00 0.00 C ATOM 697 OE1 GLN A 44 -10.153 10.787 -7.186 1.00 0.00 O flip ATOM 698 NE2 GLN A 44 -10.127 12.892 -6.410 1.00 0.00 N flip ATOM 0 H GLN A 44 -14.029 9.557 -5.910 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.033 9.379 -3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.117 10.521 -4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.698 9.451 -5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.765 11.332 -6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.313 12.423 -5.272 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.565 13.639 -5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.234 13.054 -6.875 1.00 0.00 H new ATOM 845 N GLU B 6 3.300 -6.684 4.226 1.00 0.00 N ATOM 846 CA GLU B 6 3.868 -5.905 5.325 1.00 0.00 C ATOM 847 C GLU B 6 5.398 -5.993 5.324 1.00 0.00 C ATOM 848 O GLU B 6 6.082 -4.969 5.313 1.00 0.00 O ATOM 849 CB GLU B 6 3.314 -6.385 6.671 1.00 0.00 C ATOM 850 CG GLU B 6 2.128 -5.571 7.163 1.00 0.00 C ATOM 851 CD GLU B 6 1.843 -5.791 8.636 1.00 0.00 C ATOM 852 OE1 GLU B 6 2.081 -6.913 9.127 1.00 0.00 O ATOM 853 OE2 GLU B 6 1.383 -4.838 9.299 1.00 0.00 O ATOM 0 HA GLU B 6 3.582 -4.863 5.180 1.00 0.00 H new ATOM 0 HB2 GLU B 6 3.015 -7.429 6.580 1.00 0.00 H new ATOM 0 HB3 GLU B 6 4.108 -6.344 7.417 1.00 0.00 H new ATOM 0 HG2 GLU B 6 2.320 -4.513 6.988 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.244 -5.835 6.582 1.00 0.00 H new ATOM 860 N PRO B 7 5.963 -7.221 5.329 1.00 0.00 N ATOM 861 CA PRO B 7 7.418 -7.425 5.324 1.00 0.00 C ATOM 862 C PRO B 7 8.127 -6.550 4.295 1.00 0.00 C ATOM 863 O PRO B 7 9.228 -6.058 4.536 1.00 0.00 O ATOM 864 CB PRO B 7 7.559 -8.900 4.955 1.00 0.00 C ATOM 865 CG PRO B 7 6.319 -9.538 5.474 1.00 0.00 C ATOM 866 CD PRO B 7 5.232 -8.505 5.341 1.00 0.00 C ATOM 0 HA PRO B 7 7.871 -7.160 6.279 1.00 0.00 H new ATOM 0 HB2 PRO B 7 7.651 -9.032 3.877 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.449 -9.338 5.407 1.00 0.00 H new ATOM 0 HG2 PRO B 7 6.075 -10.436 4.906 1.00 0.00 H new ATOM 0 HG3 PRO B 7 6.443 -9.842 6.513 1.00 0.00 H new ATOM 0 HD2 PRO B 7 4.657 -8.646 4.426 1.00 0.00 H new ATOM 0 HD3 PRO B 7 4.528 -8.556 6.172 1.00 0.00 H new ATOM 874 N ALA B 8 7.484 -6.359 3.147 1.00 0.00 N ATOM 875 CA ALA B 8 8.049 -5.540 2.082 1.00 0.00 C ATOM 876 C ALA B 8 8.090 -4.070 2.486 1.00 0.00 C ATOM 877 O ALA B 8 9.012 -3.342 2.119 1.00 0.00 O ATOM 878 CB ALA B 8 7.247 -5.716 0.801 1.00 0.00 C ATOM 0 H ALA B 8 6.572 -6.761 2.931 1.00 0.00 H new ATOM 0 HA ALA B 8 9.073 -5.870 1.905 1.00 0.00 H new ATOM 0 HB1 ALA B 8 7.679 -5.099 0.013 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.272 -6.762 0.497 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.214 -5.413 0.974 1.00 0.00 H new ATOM 884 N GLN B 9 7.086 -3.643 3.247 1.00 0.00 N ATOM 885 CA GLN B 9 7.011 -2.260 3.704 1.00 0.00 C ATOM 886 C GLN B 9 8.149 -1.947 4.668 1.00 0.00 C ATOM 887 O GLN B 9 8.711 -0.851 4.647 1.00 0.00 O ATOM 888 CB GLN B 9 5.663 -1.998 4.381 1.00 0.00 C ATOM 889 CG GLN B 9 4.506 -1.884 3.403 1.00 0.00 C ATOM 890 CD GLN B 9 3.185 -2.310 4.013 1.00 0.00 C ATOM 891 OE1 GLN B 9 3.062 -2.434 5.231 1.00 0.00 O ATOM 892 NE2 GLN B 9 2.187 -2.537 3.167 1.00 0.00 N ATOM 0 H GLN B 9 6.315 -4.234 3.559 1.00 0.00 H new ATOM 0 HA GLN B 9 7.105 -1.608 2.836 1.00 0.00 H new ATOM 0 HB2 GLN B 9 5.456 -2.804 5.084 1.00 0.00 H new ATOM 0 HB3 GLN B 9 5.730 -1.078 4.962 1.00 0.00 H new ATOM 0 HG2 GLN B 9 4.427 -0.853 3.057 1.00 0.00 H new ATOM 0 HG3 GLN B 9 4.713 -2.499 2.527 1.00 0.00 H new ATOM 0 HE21 GLN B 9 2.333 -2.422 2.164 1.00 0.00 H new ATOM 0 HE22 GLN B 9 1.275 -2.826 3.520 1.00 0.00 H new ATOM 901 N GLU B 10 8.487 -2.917 5.510 1.00 0.00 N ATOM 902 CA GLU B 10 9.563 -2.749 6.478 1.00 0.00 C ATOM 903 C GLU B 10 10.919 -2.740 5.782 1.00 0.00 C ATOM 904 O GLU B 10 11.854 -2.075 6.230 1.00 0.00 O ATOM 905 CB GLU B 10 9.517 -3.867 7.521 1.00 0.00 C ATOM 906 CG GLU B 10 8.263 -3.849 8.381 1.00 0.00 C ATOM 907 CD GLU B 10 8.244 -4.959 9.416 1.00 0.00 C ATOM 908 OE1 GLU B 10 9.311 -5.559 9.665 1.00 0.00 O ATOM 909 OE2 GLU B 10 7.161 -5.229 9.978 1.00 0.00 O ATOM 0 H GLU B 10 8.031 -3.829 5.541 1.00 0.00 H new ATOM 0 HA GLU B 10 9.425 -1.791 6.979 1.00 0.00 H new ATOM 0 HB2 GLU B 10 9.585 -4.829 7.013 1.00 0.00 H new ATOM 0 HB3 GLU B 10 10.391 -3.785 8.167 1.00 0.00 H new ATOM 0 HG2 GLU B 10 8.188 -2.886 8.886 1.00 0.00 H new ATOM 0 HG3 GLU B 10 7.387 -3.941 7.740 1.00 0.00 H new ATOM 916 N GLU B 11 11.018 -3.481 4.683 1.00 0.00 N ATOM 917 CA GLU B 11 12.258 -3.558 3.918 1.00 0.00 C ATOM 918 C GLU B 11 12.584 -2.219 3.272 1.00 0.00 C ATOM 919 O GLU B 11 13.731 -1.777 3.287 1.00 0.00 O ATOM 920 CB GLU B 11 12.153 -4.644 2.846 1.00 0.00 C ATOM 921 CG GLU B 11 13.459 -4.900 2.110 1.00 0.00 C ATOM 922 CD GLU B 11 14.558 -5.399 3.026 1.00 0.00 C ATOM 923 OE1 GLU B 11 14.231 -5.948 4.100 1.00 0.00 O ATOM 924 OE2 GLU B 11 15.745 -5.242 2.671 1.00 0.00 O ATOM 0 H GLU B 11 10.253 -4.038 4.302 1.00 0.00 H new ATOM 0 HA GLU B 11 13.064 -3.813 4.606 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.820 -5.572 3.312 1.00 0.00 H new ATOM 0 HB3 GLU B 11 11.389 -4.357 2.124 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.289 -5.632 1.321 1.00 0.00 H new ATOM 0 HG3 GLU B 11 13.785 -3.979 1.626 1.00 0.00 H new ATOM 931 N HIS B 12 11.571 -1.572 2.702 1.00 0.00 N ATOM 932 CA HIS B 12 11.779 -0.283 2.058 1.00 0.00 C ATOM 933 C HIS B 12 12.247 0.758 3.073 1.00 0.00 C ATOM 934 O HIS B 12 13.105 1.583 2.777 1.00 0.00 O ATOM 935 CB HIS B 12 10.503 0.211 1.360 1.00 0.00 C ATOM 936 CG HIS B 12 10.736 1.493 0.631 1.00 0.00 C ATOM 937 ND1 HIS B 12 10.758 1.616 -0.743 1.00 0.00 N ATOM 938 CD2 HIS B 12 11.090 2.699 1.124 1.00 0.00 C ATOM 939 CE1 HIS B 12 11.137 2.871 -1.031 1.00 0.00 C ATOM 940 NE2 HIS B 12 11.348 3.563 0.069 1.00 0.00 N ATOM 0 H HIS B 12 10.611 -1.915 2.674 1.00 0.00 H new ATOM 0 HA HIS B 12 12.552 -0.419 1.302 1.00 0.00 H new ATOM 0 HB2 HIS B 12 10.154 -0.548 0.660 1.00 0.00 H new ATOM 0 HB3 HIS B 12 9.714 0.350 2.099 1.00 0.00 H new ATOM 0 HD1 HIS B 12 10.528 0.886 -1.417 1.00 0.00 H new ATOM 0 HD2 HIS B 12 11.161 2.951 2.172 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.253 3.261 -2.031 1.00 0.00 H new ATOM 948 N GLU B 13 11.667 0.724 4.260 1.00 0.00 N ATOM 949 CA GLU B 13 12.018 1.672 5.308 1.00 0.00 C ATOM 950 C GLU B 13 13.464 1.503 5.788 1.00 0.00 C ATOM 951 O GLU B 13 13.973 2.349 6.524 1.00 0.00 O ATOM 952 CB GLU B 13 11.062 1.519 6.493 1.00 0.00 C ATOM 953 CG GLU B 13 9.600 1.680 6.119 1.00 0.00 C ATOM 954 CD GLU B 13 9.072 3.068 6.423 1.00 0.00 C ATOM 955 OE1 GLU B 13 9.873 4.026 6.400 1.00 0.00 O ATOM 956 OE2 GLU B 13 7.856 3.199 6.683 1.00 0.00 O ATOM 0 H GLU B 13 10.949 0.049 4.524 1.00 0.00 H new ATOM 0 HA GLU B 13 11.928 2.671 4.881 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.207 0.536 6.942 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.317 2.258 7.253 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.475 1.472 5.056 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.007 0.943 6.660 1.00 0.00 H new ATOM 963 N LYS B 14 14.123 0.408 5.399 1.00 0.00 N ATOM 964 CA LYS B 14 15.496 0.161 5.831 1.00 0.00 C ATOM 965 C LYS B 14 16.518 0.374 4.707 1.00 0.00 C ATOM 966 O LYS B 14 17.704 0.555 4.981 1.00 0.00 O ATOM 967 CB LYS B 14 15.618 -1.262 6.386 1.00 0.00 C ATOM 968 CG LYS B 14 16.442 -1.349 7.659 1.00 0.00 C ATOM 969 CD LYS B 14 16.889 -2.775 7.937 1.00 0.00 C ATOM 970 CE LYS B 14 15.894 -3.511 8.821 1.00 0.00 C ATOM 971 NZ LYS B 14 15.869 -2.966 10.207 1.00 0.00 N ATOM 0 H LYS B 14 13.731 -0.313 4.793 1.00 0.00 H new ATOM 0 HA LYS B 14 15.723 0.888 6.611 1.00 0.00 H new ATOM 0 HB2 LYS B 14 14.620 -1.654 6.582 1.00 0.00 H new ATOM 0 HB3 LYS B 14 16.068 -1.902 5.627 1.00 0.00 H new ATOM 0 HG2 LYS B 14 17.316 -0.703 7.573 1.00 0.00 H new ATOM 0 HG3 LYS B 14 15.855 -0.980 8.500 1.00 0.00 H new ATOM 0 HD2 LYS B 14 17.005 -3.311 6.995 1.00 0.00 H new ATOM 0 HD3 LYS B 14 17.866 -2.763 8.420 1.00 0.00 H new ATOM 0 HE2 LYS B 14 14.898 -3.438 8.385 1.00 0.00 H new ATOM 0 HE3 LYS B 14 16.151 -4.570 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 15.507 -3.691 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 16.832 -2.696 10.491 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 15.251 -2.130 10.240 1.00 0.00 H new ATOM 985 N TYR B 15 16.074 0.342 3.450 1.00 0.00 N ATOM 986 CA TYR B 15 16.998 0.522 2.327 1.00 0.00 C ATOM 987 C TYR B 15 16.345 1.217 1.125 1.00 0.00 C ATOM 988 O TYR B 15 16.887 1.173 0.022 1.00 0.00 O ATOM 989 CB TYR B 15 17.542 -0.833 1.881 1.00 0.00 C ATOM 990 CG TYR B 15 18.119 -1.663 3.006 1.00 0.00 C ATOM 991 CD1 TYR B 15 19.432 -1.484 3.423 1.00 0.00 C ATOM 992 CD2 TYR B 15 17.353 -2.632 3.646 1.00 0.00 C ATOM 993 CE1 TYR B 15 19.965 -2.242 4.447 1.00 0.00 C ATOM 994 CE2 TYR B 15 17.880 -3.394 4.671 1.00 0.00 C ATOM 995 CZ TYR B 15 19.187 -3.196 5.068 1.00 0.00 C ATOM 996 OH TYR B 15 19.715 -3.953 6.086 1.00 0.00 O ATOM 0 H TYR B 15 15.100 0.196 3.185 1.00 0.00 H new ATOM 0 HA TYR B 15 17.804 1.164 2.683 1.00 0.00 H new ATOM 0 HB2 TYR B 15 16.740 -1.395 1.402 1.00 0.00 H new ATOM 0 HB3 TYR B 15 18.314 -0.674 1.128 1.00 0.00 H new ATOM 0 HD1 TYR B 15 20.046 -0.740 2.938 1.00 0.00 H new ATOM 0 HD2 TYR B 15 16.331 -2.791 3.337 1.00 0.00 H new ATOM 0 HE1 TYR B 15 20.987 -2.088 4.760 1.00 0.00 H new ATOM 0 HE2 TYR B 15 17.272 -4.141 5.159 1.00 0.00 H new ATOM 0 HH TYR B 15 19.035 -4.577 6.416 1.00 0.00 H new ATOM 1006 N HIS B 16 15.186 1.845 1.337 1.00 0.00 N ATOM 1007 CA HIS B 16 14.449 2.540 0.267 1.00 0.00 C ATOM 1008 C HIS B 16 14.461 1.752 -1.047 1.00 0.00 C ATOM 1009 O HIS B 16 14.629 2.321 -2.126 1.00 0.00 O ATOM 1010 CB HIS B 16 14.999 3.950 0.035 1.00 0.00 C ATOM 1011 CG HIS B 16 14.768 4.887 1.186 1.00 0.00 C ATOM 1012 ND1 HIS B 16 13.575 5.559 1.356 1.00 0.00 N ATOM 1013 CD2 HIS B 16 15.612 5.231 2.191 1.00 0.00 C ATOM 1014 CE1 HIS B 16 13.722 6.288 2.447 1.00 0.00 C ATOM 1015 NE2 HIS B 16 14.937 6.123 2.987 1.00 0.00 N ATOM 0 H HIS B 16 14.730 1.889 2.248 1.00 0.00 H new ATOM 0 HA HIS B 16 13.415 2.618 0.604 1.00 0.00 H new ATOM 0 HB2 HIS B 16 16.070 3.885 -0.159 1.00 0.00 H new ATOM 0 HB3 HIS B 16 14.537 4.368 -0.860 1.00 0.00 H new ATOM 0 HD1 HIS B 16 12.749 5.504 0.761 1.00 0.00 H new ATOM 0 HD2 HIS B 16 16.620 4.872 2.337 1.00 0.00 H new ATOM 0 HE1 HIS B 16 12.959 6.936 2.853 1.00 0.00 H new ATOM 1023 N SER B 17 14.285 0.437 -0.942 1.00 0.00 N ATOM 1024 CA SER B 17 14.279 -0.433 -2.115 1.00 0.00 C ATOM 1025 C SER B 17 13.192 -0.018 -3.101 1.00 0.00 C ATOM 1026 O SER B 17 12.162 0.530 -2.711 1.00 0.00 O ATOM 1027 CB SER B 17 14.073 -1.889 -1.695 1.00 0.00 C ATOM 1028 OG SER B 17 15.054 -2.294 -0.757 1.00 0.00 O ATOM 0 H SER B 17 14.145 -0.049 -0.056 1.00 0.00 H new ATOM 0 HA SER B 17 15.246 -0.336 -2.609 1.00 0.00 H new ATOM 0 HB2 SER B 17 13.080 -2.008 -1.262 1.00 0.00 H new ATOM 0 HB3 SER B 17 14.117 -2.533 -2.573 1.00 0.00 H new ATOM 0 HG SER B 17 15.448 -3.145 -1.042 1.00 0.00 H new ATOM 1034 N ASN B 18 13.429 -0.285 -4.381 1.00 0.00 N ATOM 1035 CA ASN B 18 12.470 0.057 -5.424 1.00 0.00 C ATOM 1036 C ASN B 18 11.387 -1.012 -5.536 1.00 0.00 C ATOM 1037 O ASN B 18 11.262 -1.874 -4.667 1.00 0.00 O ATOM 1038 CB ASN B 18 13.185 0.222 -6.770 1.00 0.00 C ATOM 1039 CG ASN B 18 14.441 1.066 -6.666 1.00 0.00 C ATOM 1040 OD1 ASN B 18 14.397 2.286 -6.825 1.00 0.00 O ATOM 1041 ND2 ASN B 18 15.568 0.417 -6.401 1.00 0.00 N ATOM 0 H ASN B 18 14.278 -0.737 -4.721 1.00 0.00 H new ATOM 0 HA ASN B 18 11.997 1.001 -5.155 1.00 0.00 H new ATOM 0 HB2 ASN B 18 13.444 -0.761 -7.162 1.00 0.00 H new ATOM 0 HB3 ASN B 18 12.502 0.680 -7.486 1.00 0.00 H new ATOM 0 HD21 ASN B 18 16.446 0.931 -6.321 1.00 0.00 H new ATOM 0 HD22 ASN B 18 15.556 -0.595 -6.277 1.00 0.00 H new ATOM 1048 N VAL B 19 10.610 -0.949 -6.612 1.00 0.00 N ATOM 1049 CA VAL B 19 9.540 -1.913 -6.840 1.00 0.00 C ATOM 1050 C VAL B 19 10.104 -3.264 -7.266 1.00 0.00 C ATOM 1051 O VAL B 19 9.721 -4.306 -6.734 1.00 0.00 O ATOM 1052 CB VAL B 19 8.558 -1.419 -7.919 1.00 0.00 C ATOM 1053 CG1 VAL B 19 7.361 -2.351 -8.025 1.00 0.00 C ATOM 1054 CG2 VAL B 19 8.106 0.004 -7.625 1.00 0.00 C ATOM 0 H VAL B 19 10.701 -0.240 -7.340 1.00 0.00 H new ATOM 0 HA VAL B 19 9.006 -2.023 -5.896 1.00 0.00 H new ATOM 0 HB VAL B 19 9.077 -1.421 -8.877 1.00 0.00 H new ATOM 0 HG11 VAL B 19 6.680 -1.983 -8.793 1.00 0.00 H new ATOM 0 HG12 VAL B 19 7.701 -3.352 -8.291 1.00 0.00 H new ATOM 0 HG13 VAL B 19 6.842 -2.387 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL B 19 7.413 0.333 -8.399 1.00 0.00 H new ATOM 0 HG22 VAL B 19 7.608 0.035 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL B 19 8.973 0.665 -7.609 1.00 0.00 H new ATOM 1064 N LYS B 20 11.013 -3.234 -8.235 1.00 0.00 N ATOM 1065 CA LYS B 20 11.632 -4.454 -8.744 1.00 0.00 C ATOM 1066 C LYS B 20 12.327 -5.231 -7.630 1.00 0.00 C ATOM 1067 O LYS B 20 12.223 -6.455 -7.554 1.00 0.00 O ATOM 1068 CB LYS B 20 12.637 -4.118 -9.848 1.00 0.00 C ATOM 1069 CG LYS B 20 12.687 -5.151 -10.962 1.00 0.00 C ATOM 1070 CD LYS B 20 13.634 -6.291 -10.625 1.00 0.00 C ATOM 1071 CE LYS B 20 15.038 -6.021 -11.144 1.00 0.00 C ATOM 1072 NZ LYS B 20 15.704 -4.913 -10.405 1.00 0.00 N ATOM 0 H LYS B 20 11.338 -2.378 -8.684 1.00 0.00 H new ATOM 0 HA LYS B 20 10.841 -5.082 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.384 -3.148 -10.275 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.629 -4.023 -9.407 1.00 0.00 H new ATOM 0 HG2 LYS B 20 11.687 -5.548 -11.137 1.00 0.00 H new ATOM 0 HG3 LYS B 20 13.007 -4.673 -11.888 1.00 0.00 H new ATOM 0 HD2 LYS B 20 13.665 -6.432 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS B 20 13.257 -7.218 -11.057 1.00 0.00 H new ATOM 0 HE2 LYS B 20 15.637 -6.927 -11.056 1.00 0.00 H new ATOM 0 HE3 LYS B 20 14.991 -5.772 -12.204 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 16.729 -4.947 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 15.327 -4.001 -10.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 15.522 -5.016 -9.386 1.00 0.00 H new ATOM 1086 N GLU B 21 13.037 -4.512 -6.766 1.00 0.00 N ATOM 1087 CA GLU B 21 13.747 -5.136 -5.657 1.00 0.00 C ATOM 1088 C GLU B 21 12.774 -5.811 -4.698 1.00 0.00 C ATOM 1089 O GLU B 21 12.976 -6.958 -4.297 1.00 0.00 O ATOM 1090 CB GLU B 21 14.580 -4.094 -4.906 1.00 0.00 C ATOM 1091 CG GLU B 21 15.382 -4.675 -3.751 1.00 0.00 C ATOM 1092 CD GLU B 21 16.308 -3.658 -3.117 1.00 0.00 C ATOM 1093 OE1 GLU B 21 16.610 -2.639 -3.773 1.00 0.00 O ATOM 1094 OE2 GLU B 21 16.732 -3.879 -1.964 1.00 0.00 O ATOM 0 H GLU B 21 13.135 -3.498 -6.813 1.00 0.00 H new ATOM 0 HA GLU B 21 14.411 -5.897 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU B 21 15.263 -3.613 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU B 21 13.917 -3.318 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU B 21 14.697 -5.059 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.968 -5.521 -4.110 1.00 0.00 H new ATOM 1101 N LEU B 22 11.717 -5.094 -4.336 1.00 0.00 N ATOM 1102 CA LEU B 22 10.710 -5.624 -3.423 1.00 0.00 C ATOM 1103 C LEU B 22 9.927 -6.758 -4.076 1.00 0.00 C ATOM 1104 O LEU B 22 9.663 -7.784 -3.452 1.00 0.00 O ATOM 1105 CB LEU B 22 9.752 -4.513 -2.986 1.00 0.00 C ATOM 1106 CG LEU B 22 10.400 -3.365 -2.210 1.00 0.00 C ATOM 1107 CD1 LEU B 22 9.464 -2.169 -2.148 1.00 0.00 C ATOM 1108 CD2 LEU B 22 10.782 -3.820 -0.810 1.00 0.00 C ATOM 0 H LEU B 22 11.534 -4.144 -4.660 1.00 0.00 H new ATOM 0 HA LEU B 22 11.223 -6.018 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.267 -4.104 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU B 22 8.969 -4.952 -2.368 1.00 0.00 H new ATOM 0 HG LEU B 22 11.307 -3.062 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU B 22 9.941 -1.362 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.239 -1.830 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU B 22 8.539 -2.456 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.242 -2.992 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU B 22 9.889 -4.148 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.489 -4.647 -0.876 1.00 0.00 H new ATOM 1120 N SER B 23 9.560 -6.565 -5.338 1.00 0.00 N ATOM 1121 CA SER B 23 8.806 -7.571 -6.077 1.00 0.00 C ATOM 1122 C SER B 23 9.679 -8.781 -6.399 1.00 0.00 C ATOM 1123 O SER B 23 9.199 -9.911 -6.435 1.00 0.00 O ATOM 1124 CB SER B 23 8.249 -6.972 -7.369 1.00 0.00 C ATOM 1125 OG SER B 23 7.745 -7.983 -8.224 1.00 0.00 O ATOM 0 H SER B 23 9.772 -5.721 -5.871 1.00 0.00 H new ATOM 0 HA SER B 23 7.978 -7.901 -5.450 1.00 0.00 H new ATOM 0 HB2 SER B 23 7.456 -6.263 -7.132 1.00 0.00 H new ATOM 0 HB3 SER B 23 9.032 -6.414 -7.882 1.00 0.00 H new ATOM 0 HG SER B 23 6.784 -8.094 -8.069 1.00 0.00 H new ATOM 1131 N HIS B 24 10.964 -8.535 -6.631 1.00 0.00 N ATOM 1132 CA HIS B 24 11.901 -9.608 -6.951 1.00 0.00 C ATOM 1133 C HIS B 24 12.359 -10.333 -5.689 1.00 0.00 C ATOM 1134 O HIS B 24 12.604 -11.540 -5.706 1.00 0.00 O ATOM 1135 CB HIS B 24 13.113 -9.047 -7.700 1.00 0.00 C ATOM 1136 CG HIS B 24 14.101 -10.092 -8.116 1.00 0.00 C ATOM 1137 ND1 HIS B 24 15.427 -9.789 -8.306 1.00 0.00 N ATOM 1138 CD2 HIS B 24 13.908 -11.411 -8.366 1.00 0.00 C ATOM 1139 CE1 HIS B 24 16.009 -10.919 -8.664 1.00 0.00 C ATOM 1140 NE2 HIS B 24 15.129 -11.930 -8.716 1.00 0.00 N ATOM 0 H HIS B 24 11.381 -7.604 -6.604 1.00 0.00 H new ATOM 0 HA HIS B 24 11.385 -10.325 -7.589 1.00 0.00 H new ATOM 0 HB2 HIS B 24 12.767 -8.514 -8.586 1.00 0.00 H new ATOM 0 HB3 HIS B 24 13.615 -8.317 -7.065 1.00 0.00 H new ATOM 0 HD2 HIS B 24 12.974 -11.949 -8.302 1.00 0.00 H new ATOM 0 HE1 HIS B 24 17.061 -11.017 -8.887 1.00 0.00 H new ATOM 0 HE2 HIS B 24 15.329 -12.898 -8.967 1.00 0.00 H new ATOM 1148 N LYS B 25 12.483 -9.587 -4.595 1.00 0.00 N ATOM 1149 CA LYS B 25 12.919 -10.157 -3.325 1.00 0.00 C ATOM 1150 C LYS B 25 11.775 -10.870 -2.611 1.00 0.00 C ATOM 1151 O LYS B 25 11.961 -11.941 -2.036 1.00 0.00 O ATOM 1152 CB LYS B 25 13.488 -9.060 -2.424 1.00 0.00 C ATOM 1153 CG LYS B 25 14.027 -9.574 -1.099 1.00 0.00 C ATOM 1154 CD LYS B 25 14.305 -8.435 -0.130 1.00 0.00 C ATOM 1155 CE LYS B 25 15.100 -8.901 1.079 1.00 0.00 C ATOM 1156 NZ LYS B 25 16.265 -8.015 1.356 1.00 0.00 N ATOM 0 H LYS B 25 12.288 -8.586 -4.563 1.00 0.00 H new ATOM 0 HA LYS B 25 13.695 -10.892 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.288 -8.544 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.709 -8.323 -2.228 1.00 0.00 H new ATOM 0 HG2 LYS B 25 13.308 -10.263 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS B 25 14.944 -10.138 -1.272 1.00 0.00 H new ATOM 0 HD2 LYS B 25 14.855 -7.647 -0.644 1.00 0.00 H new ATOM 0 HD3 LYS B 25 13.361 -8.001 0.201 1.00 0.00 H new ATOM 0 HE2 LYS B 25 14.449 -8.928 1.953 1.00 0.00 H new ATOM 0 HE3 LYS B 25 15.451 -9.919 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 16.828 -8.414 2.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 16.856 -7.942 0.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 15.926 -7.069 1.624 1.00 0.00 H new ATOM 1170 N PHE B 26 10.591 -10.264 -2.642 1.00 0.00 N ATOM 1171 CA PHE B 26 9.423 -10.842 -1.987 1.00 0.00 C ATOM 1172 C PHE B 26 8.545 -11.600 -2.979 1.00 0.00 C ATOM 1173 O PHE B 26 8.121 -12.725 -2.709 1.00 0.00 O ATOM 1174 CB PHE B 26 8.611 -9.744 -1.297 1.00 0.00 C ATOM 1175 CG PHE B 26 9.326 -9.118 -0.133 1.00 0.00 C ATOM 1176 CD1 PHE B 26 9.277 -9.703 1.122 1.00 0.00 C ATOM 1177 CD2 PHE B 26 10.049 -7.947 -0.297 1.00 0.00 C ATOM 1178 CE1 PHE B 26 9.937 -9.132 2.194 1.00 0.00 C ATOM 1179 CE2 PHE B 26 10.712 -7.372 0.771 1.00 0.00 C ATOM 1180 CZ PHE B 26 10.655 -7.964 2.018 1.00 0.00 C ATOM 0 H PHE B 26 10.416 -9.376 -3.112 1.00 0.00 H new ATOM 0 HA PHE B 26 9.775 -11.554 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.369 -8.969 -2.025 1.00 0.00 H new ATOM 0 HB3 PHE B 26 7.666 -10.163 -0.951 1.00 0.00 H new ATOM 0 HD1 PHE B 26 8.717 -10.615 1.264 1.00 0.00 H new ATOM 0 HD2 PHE B 26 10.095 -7.479 -1.269 1.00 0.00 H new ATOM 0 HE1 PHE B 26 9.892 -9.598 3.167 1.00 0.00 H new ATOM 0 HE2 PHE B 26 11.274 -6.461 0.631 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.171 -7.515 2.854 1.00 0.00 H new ATOM 1190 N GLY B 27 8.272 -10.984 -4.125 1.00 0.00 N ATOM 1191 CA GLY B 27 7.443 -11.629 -5.133 1.00 0.00 C ATOM 1192 C GLY B 27 6.193 -10.832 -5.477 1.00 0.00 C ATOM 1193 O GLY B 27 5.551 -11.092 -6.494 1.00 0.00 O ATOM 0 H GLY B 27 8.607 -10.054 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.032 -11.778 -6.038 1.00 0.00 H new ATOM 0 HA3 GLY B 27 7.150 -12.617 -4.777 1.00 0.00 H new ATOM 1197 N ILE B 28 5.841 -9.863 -4.630 1.00 0.00 N ATOM 1198 CA ILE B 28 4.658 -9.040 -4.860 1.00 0.00 C ATOM 1199 C ILE B 28 4.711 -8.356 -6.228 1.00 0.00 C ATOM 1200 O ILE B 28 5.781 -7.953 -6.682 1.00 0.00 O ATOM 1201 CB ILE B 28 4.504 -7.960 -3.770 1.00 0.00 C ATOM 1202 CG1 ILE B 28 5.833 -7.233 -3.547 1.00 0.00 C ATOM 1203 CG2 ILE B 28 4.008 -8.580 -2.474 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.699 -5.960 -2.739 1.00 0.00 C ATOM 0 H ILE B 28 6.358 -9.631 -3.782 1.00 0.00 H new ATOM 0 HA ILE B 28 3.800 -9.711 -4.826 1.00 0.00 H new ATOM 0 HB ILE B 28 3.766 -7.231 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE B 28 6.524 -7.905 -3.039 1.00 0.00 H new ATOM 0 HG13 ILE B 28 6.274 -6.994 -4.515 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.905 -7.804 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE B 28 3.040 -9.052 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE B 28 4.722 -9.329 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.680 -5.499 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE B 28 5.033 -5.269 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.288 -6.194 -1.757 1.00 0.00 H new ATOM 1216 N PRO B 29 3.554 -8.214 -6.913 1.00 0.00 N ATOM 1217 CA PRO B 29 3.496 -7.575 -8.233 1.00 0.00 C ATOM 1218 C PRO B 29 4.079 -6.165 -8.224 1.00 0.00 C ATOM 1219 O PRO B 29 4.758 -5.768 -7.277 1.00 0.00 O ATOM 1220 CB PRO B 29 1.999 -7.528 -8.550 1.00 0.00 C ATOM 1221 CG PRO B 29 1.395 -8.605 -7.718 1.00 0.00 C ATOM 1222 CD PRO B 29 2.220 -8.665 -6.463 1.00 0.00 C ATOM 0 HA PRO B 29 4.083 -8.123 -8.970 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.574 -6.555 -8.305 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.815 -7.698 -9.611 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.352 -8.385 -7.490 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.412 -9.560 -8.243 1.00 0.00 H new ATOM 0 HD2 PRO B 29 1.817 -8.017 -5.685 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.254 -9.674 -6.051 1.00 0.00 H new ATOM 1230 N ASN B 30 3.806 -5.413 -9.285 1.00 0.00 N ATOM 1231 CA ASN B 30 4.300 -4.046 -9.407 1.00 0.00 C ATOM 1232 C ASN B 30 3.339 -3.060 -8.750 1.00 0.00 C ATOM 1233 O ASN B 30 3.759 -2.085 -8.126 1.00 0.00 O ATOM 1234 CB ASN B 30 4.496 -3.684 -10.883 1.00 0.00 C ATOM 1235 CG ASN B 30 5.793 -2.939 -11.131 1.00 0.00 C ATOM 1236 OD1 ASN B 30 5.797 -1.720 -11.303 1.00 0.00 O ATOM 1237 ND2 ASN B 30 6.901 -3.669 -11.151 1.00 0.00 N ATOM 0 H ASN B 30 3.243 -5.728 -10.075 1.00 0.00 H new ATOM 0 HA ASN B 30 5.260 -3.984 -8.894 1.00 0.00 H new ATOM 0 HB2 ASN B 30 4.484 -4.595 -11.482 1.00 0.00 H new ATOM 0 HB3 ASN B 30 3.659 -3.071 -11.218 1.00 0.00 H new ATOM 0 HD21 ASN B 30 7.803 -3.222 -11.314 1.00 0.00 H new ATOM 0 HD22 ASN B 30 6.850 -4.677 -11.004 1.00 0.00 H new ATOM 1244 N LEU B 31 2.044 -3.322 -8.898 1.00 0.00 N ATOM 1245 CA LEU B 31 1.017 -2.459 -8.324 1.00 0.00 C ATOM 1246 C LEU B 31 1.137 -2.402 -6.803 1.00 0.00 C ATOM 1247 O LEU B 31 1.086 -1.326 -6.209 1.00 0.00 O ATOM 1248 CB LEU B 31 -0.374 -2.957 -8.723 1.00 0.00 C ATOM 1249 CG LEU B 31 -1.544 -2.172 -8.127 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -1.913 -1.003 -9.024 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -2.742 -3.086 -7.914 1.00 0.00 C ATOM 0 H LEU B 31 1.681 -4.125 -9.411 1.00 0.00 H new ATOM 0 HA LEU B 31 1.162 -1.452 -8.716 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -0.454 -2.928 -9.810 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -0.468 -4.001 -8.424 1.00 0.00 H new ATOM 0 HG LEU B 31 -1.238 -1.775 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -2.747 -0.456 -8.584 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -1.056 -0.337 -9.125 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -2.201 -1.375 -10.007 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -3.566 -2.513 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -3.050 -3.511 -8.869 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -2.469 -3.890 -7.230 1.00 0.00 H new ATOM 1263 N VAL B 32 1.297 -3.564 -6.180 1.00 0.00 N ATOM 1264 CA VAL B 32 1.422 -3.639 -4.730 1.00 0.00 C ATOM 1265 C VAL B 32 2.752 -3.053 -4.267 1.00 0.00 C ATOM 1266 O VAL B 32 2.817 -2.349 -3.260 1.00 0.00 O ATOM 1267 CB VAL B 32 1.310 -5.094 -4.228 1.00 0.00 C ATOM 1268 CG1 VAL B 32 1.305 -5.142 -2.707 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.063 -5.759 -4.793 1.00 0.00 C ATOM 0 H VAL B 32 1.343 -4.465 -6.656 1.00 0.00 H new ATOM 0 HA VAL B 32 0.602 -3.056 -4.309 1.00 0.00 H new ATOM 0 HB VAL B 32 2.182 -5.645 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL B 32 1.225 -6.177 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL B 32 2.230 -4.709 -2.326 1.00 0.00 H new ATOM 0 HG13 VAL B 32 0.456 -4.573 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL B 32 0.000 -6.784 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.820 -5.206 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.115 -5.764 -5.882 1.00 0.00 H new ATOM 1279 N ALA B 33 3.811 -3.350 -5.011 1.00 0.00 N ATOM 1280 CA ALA B 33 5.142 -2.853 -4.678 1.00 0.00 C ATOM 1281 C ALA B 33 5.220 -1.340 -4.845 1.00 0.00 C ATOM 1282 O ALA B 33 5.945 -0.665 -4.116 1.00 0.00 O ATOM 1283 CB ALA B 33 6.190 -3.539 -5.539 1.00 0.00 C ATOM 0 H ALA B 33 3.775 -3.932 -5.848 1.00 0.00 H new ATOM 0 HA ALA B 33 5.340 -3.085 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.179 -3.159 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.157 -4.614 -5.364 1.00 0.00 H new ATOM 0 HB3 ALA B 33 5.987 -3.336 -6.590 1.00 0.00 H new ATOM 1289 N ARG B 34 4.468 -0.815 -5.808 1.00 0.00 N ATOM 1290 CA ARG B 34 4.456 0.620 -6.065 1.00 0.00 C ATOM 1291 C ARG B 34 3.832 1.375 -4.896 1.00 0.00 C ATOM 1292 O ARG B 34 4.244 2.488 -4.571 1.00 0.00 O ATOM 1293 CB ARG B 34 3.690 0.923 -7.350 1.00 0.00 C ATOM 1294 CG ARG B 34 4.557 0.897 -8.599 1.00 0.00 C ATOM 1295 CD ARG B 34 3.818 1.461 -9.800 1.00 0.00 C ATOM 1296 NE ARG B 34 3.515 2.883 -9.638 1.00 0.00 N ATOM 1297 CZ ARG B 34 3.097 3.676 -10.624 1.00 0.00 C ATOM 1298 NH1 ARG B 34 2.922 3.192 -11.851 1.00 0.00 N ATOM 1299 NH2 ARG B 34 2.854 4.957 -10.384 1.00 0.00 N ATOM 0 H ARG B 34 3.861 -1.360 -6.421 1.00 0.00 H new ATOM 0 HA ARG B 34 5.488 0.952 -6.180 1.00 0.00 H new ATOM 0 HB2 ARG B 34 2.885 0.197 -7.462 1.00 0.00 H new ATOM 0 HB3 ARG B 34 3.224 1.905 -7.262 1.00 0.00 H new ATOM 0 HG2 ARG B 34 5.465 1.474 -8.425 1.00 0.00 H new ATOM 0 HG3 ARG B 34 4.865 -0.127 -8.808 1.00 0.00 H new ATOM 0 HD2 ARG B 34 4.421 1.319 -10.697 1.00 0.00 H new ATOM 0 HD3 ARG B 34 2.891 0.907 -9.948 1.00 0.00 H new ATOM 0 HE ARG B 34 3.631 3.294 -8.712 1.00 0.00 H new ATOM 0 HH11 ARG B 34 3.108 2.208 -12.042 1.00 0.00 H new ATOM 0 HH12 ARG B 34 2.602 3.805 -12.600 1.00 0.00 H new ATOM 0 HH21 ARG B 34 2.987 5.334 -9.446 1.00 0.00 H new ATOM 0 HH22 ARG B 34 2.534 5.565 -11.138 1.00 0.00 H new ATOM 1313 N GLN B 35 2.837 0.760 -4.262 1.00 0.00 N ATOM 1314 CA GLN B 35 2.158 1.374 -3.127 1.00 0.00 C ATOM 1315 C GLN B 35 3.136 1.624 -1.984 1.00 0.00 C ATOM 1316 O GLN B 35 3.021 2.613 -1.261 1.00 0.00 O ATOM 1317 CB GLN B 35 1.012 0.482 -2.646 1.00 0.00 C ATOM 1318 CG GLN B 35 -0.193 0.489 -3.570 1.00 0.00 C ATOM 1319 CD GLN B 35 -0.893 1.833 -3.604 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -0.613 2.669 -4.465 1.00 0.00 O ATOM 1321 NE2 GLN B 35 -1.808 2.050 -2.668 1.00 0.00 N ATOM 0 H GLN B 35 2.484 -0.163 -4.516 1.00 0.00 H new ATOM 0 HA GLN B 35 1.750 2.331 -3.452 1.00 0.00 H new ATOM 0 HB2 GLN B 35 1.376 -0.540 -2.545 1.00 0.00 H new ATOM 0 HB3 GLN B 35 0.700 0.809 -1.654 1.00 0.00 H new ATOM 0 HG2 GLN B 35 0.125 0.224 -4.578 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -0.899 -0.276 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -2.008 1.330 -1.974 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -2.311 2.937 -2.642 1.00 0.00 H new ATOM 1330 N ILE B 36 4.098 0.721 -1.830 1.00 0.00 N ATOM 1331 CA ILE B 36 5.099 0.843 -0.778 1.00 0.00 C ATOM 1332 C ILE B 36 6.013 2.033 -1.042 1.00 0.00 C ATOM 1333 O ILE B 36 6.176 2.906 -0.188 1.00 0.00 O ATOM 1334 CB ILE B 36 5.951 -0.437 -0.657 1.00 0.00 C ATOM 1335 CG1 ILE B 36 5.049 -1.669 -0.550 1.00 0.00 C ATOM 1336 CG2 ILE B 36 6.879 -0.349 0.547 1.00 0.00 C ATOM 1337 CD1 ILE B 36 5.814 -2.970 -0.440 1.00 0.00 C ATOM 0 H ILE B 36 4.205 -0.104 -2.421 1.00 0.00 H new ATOM 0 HA ILE B 36 4.565 0.995 0.160 1.00 0.00 H new ATOM 0 HB ILE B 36 6.562 -0.532 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.403 -1.562 0.321 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.400 -1.711 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.472 -1.261 0.617 1.00 0.00 H new ATOM 0 HG22 ILE B 36 7.543 0.508 0.433 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.287 -0.231 1.455 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.111 -3.800 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE B 36 6.440 -3.100 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.443 -2.948 0.450 1.00 0.00 H new ATOM 1349 N VAL B 37 6.602 2.068 -2.233 1.00 0.00 N ATOM 1350 CA VAL B 37 7.490 3.156 -2.612 1.00 0.00 C ATOM 1351 C VAL B 37 6.719 4.471 -2.697 1.00 0.00 C ATOM 1352 O VAL B 37 7.223 5.526 -2.311 1.00 0.00 O ATOM 1353 CB VAL B 37 8.177 2.876 -3.966 1.00 0.00 C ATOM 1354 CG1 VAL B 37 9.173 3.974 -4.309 1.00 0.00 C ATOM 1355 CG2 VAL B 37 8.863 1.519 -3.938 1.00 0.00 C ATOM 0 H VAL B 37 6.479 1.354 -2.951 1.00 0.00 H new ATOM 0 HA VAL B 37 8.258 3.234 -1.842 1.00 0.00 H new ATOM 0 HB VAL B 37 7.412 2.864 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL B 37 9.643 3.753 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL B 37 8.653 4.930 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL B 37 9.937 4.027 -3.534 1.00 0.00 H new ATOM 0 HG21 VAL B 37 9.343 1.334 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL B 37 9.614 1.507 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL B 37 8.124 0.741 -3.747 1.00 0.00 H new ATOM 1365 N ASN B 38 5.490 4.395 -3.197 1.00 0.00 N ATOM 1366 CA ASN B 38 4.642 5.573 -3.324 1.00 0.00 C ATOM 1367 C ASN B 38 4.351 6.170 -1.952 1.00 0.00 C ATOM 1368 O ASN B 38 4.298 7.390 -1.791 1.00 0.00 O ATOM 1369 CB ASN B 38 3.330 5.216 -4.024 1.00 0.00 C ATOM 1370 CG ASN B 38 3.480 5.134 -5.530 1.00 0.00 C ATOM 1371 OD1 ASN B 38 4.460 5.618 -6.095 1.00 0.00 O ATOM 1372 ND2 ASN B 38 2.505 4.520 -6.189 1.00 0.00 N ATOM 0 H ASN B 38 5.059 3.529 -3.521 1.00 0.00 H new ATOM 0 HA ASN B 38 5.172 6.312 -3.925 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.968 4.260 -3.645 1.00 0.00 H new ATOM 0 HB3 ASN B 38 2.575 5.963 -3.777 1.00 0.00 H new ATOM 0 HD21 ASN B 38 2.550 4.435 -7.204 1.00 0.00 H new ATOM 0 HD22 ASN B 38 1.710 4.133 -5.680 1.00 0.00 H new ATOM 1379 N SER B 39 4.164 5.299 -0.965 1.00 0.00 N ATOM 1380 CA SER B 39 3.881 5.736 0.396 1.00 0.00 C ATOM 1381 C SER B 39 5.062 6.510 0.967 1.00 0.00 C ATOM 1382 O SER B 39 4.887 7.434 1.762 1.00 0.00 O ATOM 1383 CB SER B 39 3.564 4.532 1.284 1.00 0.00 C ATOM 1384 OG SER B 39 2.212 4.131 1.140 1.00 0.00 O ATOM 0 H SER B 39 4.204 4.287 -1.083 1.00 0.00 H new ATOM 0 HA SER B 39 3.013 6.395 0.371 1.00 0.00 H new ATOM 0 HB2 SER B 39 4.222 3.702 1.025 1.00 0.00 H new ATOM 0 HB3 SER B 39 3.763 4.783 2.326 1.00 0.00 H new ATOM 0 HG SER B 39 2.124 3.556 0.351 1.00 0.00 H new ATOM 1390 N CYS B 40 6.269 6.130 0.555 1.00 0.00 N ATOM 1391 CA CYS B 40 7.480 6.792 1.022 1.00 0.00 C ATOM 1392 C CYS B 40 7.508 8.247 0.561 1.00 0.00 C ATOM 1393 O CYS B 40 7.538 8.528 -0.637 1.00 0.00 O ATOM 1394 CB CYS B 40 8.723 6.059 0.516 1.00 0.00 C ATOM 1395 SG CYS B 40 10.277 6.748 1.135 1.00 0.00 S ATOM 0 H CYS B 40 6.432 5.367 -0.102 1.00 0.00 H new ATOM 0 HA CYS B 40 7.480 6.770 2.112 1.00 0.00 H new ATOM 0 HB2 CYS B 40 8.659 5.011 0.807 1.00 0.00 H new ATOM 0 HB3 CYS B 40 8.732 6.087 -0.574 1.00 0.00 H new ATOM 0 HG CYS B 40 11.185 6.671 0.208 1.00 0.00 H new ATOM 1400 N ALA B 41 7.493 9.167 1.519 1.00 0.00 N ATOM 1401 CA ALA B 41 7.512 10.593 1.214 1.00 0.00 C ATOM 1402 C ALA B 41 8.872 11.034 0.680 1.00 0.00 C ATOM 1403 O ALA B 41 8.968 12.001 -0.074 1.00 0.00 O ATOM 1404 CB ALA B 41 7.145 11.400 2.448 1.00 0.00 C ATOM 0 H ALA B 41 7.468 8.950 2.515 1.00 0.00 H new ATOM 0 HA ALA B 41 6.773 10.776 0.434 1.00 0.00 H new ATOM 0 HB1 ALA B 41 7.163 12.463 2.206 1.00 0.00 H new ATOM 0 HB2 ALA B 41 6.146 11.121 2.782 1.00 0.00 H new ATOM 0 HB3 ALA B 41 7.863 11.196 3.243 1.00 0.00 H new ATOM 1410 N GLN B 42 9.923 10.326 1.081 1.00 0.00 N ATOM 1411 CA GLN B 42 11.277 10.656 0.648 1.00 0.00 C ATOM 1412 C GLN B 42 11.555 10.158 -0.769 1.00 0.00 C ATOM 1413 O GLN B 42 12.440 10.675 -1.451 1.00 0.00 O ATOM 1414 CB GLN B 42 12.298 10.055 1.616 1.00 0.00 C ATOM 1415 CG GLN B 42 12.167 10.570 3.039 1.00 0.00 C ATOM 1416 CD GLN B 42 13.226 10.006 3.964 1.00 0.00 C ATOM 1417 OE1 GLN B 42 13.290 8.798 4.189 1.00 0.00 O ATOM 1418 NE2 GLN B 42 14.065 10.881 4.504 1.00 0.00 N ATOM 0 H GLN B 42 9.864 9.521 1.704 1.00 0.00 H new ATOM 0 HA GLN B 42 11.367 11.742 0.646 1.00 0.00 H new ATOM 0 HB2 GLN B 42 12.187 8.971 1.620 1.00 0.00 H new ATOM 0 HB3 GLN B 42 13.302 10.272 1.252 1.00 0.00 H new ATOM 0 HG2 GLN B 42 12.236 11.658 3.035 1.00 0.00 H new ATOM 0 HG3 GLN B 42 11.180 10.314 3.424 1.00 0.00 H new ATOM 0 HE21 GLN B 42 13.975 11.874 4.289 1.00 0.00 H new ATOM 0 HE22 GLN B 42 14.800 10.561 5.134 1.00 0.00 H new ATOM 1427 N CYS B 43 10.809 9.148 -1.209 1.00 0.00 N ATOM 1428 CA CYS B 43 11.003 8.586 -2.542 1.00 0.00 C ATOM 1429 C CYS B 43 9.978 9.127 -3.538 1.00 0.00 C ATOM 1430 O CYS B 43 10.239 9.172 -4.740 1.00 0.00 O ATOM 1431 CB CYS B 43 10.924 7.060 -2.488 1.00 0.00 C ATOM 1432 SG CYS B 43 12.442 6.264 -1.903 1.00 0.00 S ATOM 0 H CYS B 43 10.069 8.704 -0.665 1.00 0.00 H new ATOM 0 HA CYS B 43 11.993 8.886 -2.886 1.00 0.00 H new ATOM 0 HB2 CYS B 43 10.100 6.772 -1.835 1.00 0.00 H new ATOM 0 HB3 CYS B 43 10.689 6.683 -3.483 1.00 0.00 H new ATOM 0 HG CYS B 43 12.138 5.284 -1.105 1.00 0.00 H new ATOM 1437 N GLN B 44 8.812 9.532 -3.039 1.00 0.00 N ATOM 1438 CA GLN B 44 7.760 10.059 -3.905 1.00 0.00 C ATOM 1439 C GLN B 44 8.208 11.346 -4.597 1.00 0.00 C ATOM 1440 O GLN B 44 7.956 11.540 -5.787 1.00 0.00 O ATOM 1441 CB GLN B 44 6.475 10.307 -3.101 1.00 0.00 C ATOM 1442 CG GLN B 44 6.555 11.484 -2.140 1.00 0.00 C ATOM 1443 CD GLN B 44 5.236 11.761 -1.448 1.00 0.00 C ATOM 1444 OE1 GLN B 44 4.712 10.760 -0.751 1.00 0.00 O flip ATOM 1445 NE2 GLN B 44 4.694 12.862 -1.537 1.00 0.00 N flip ATOM 0 H GLN B 44 8.573 9.506 -2.048 1.00 0.00 H new ATOM 0 HA GLN B 44 7.555 9.314 -4.674 1.00 0.00 H new ATOM 0 HB2 GLN B 44 5.652 10.476 -3.796 1.00 0.00 H new ATOM 0 HB3 GLN B 44 6.235 9.407 -2.535 1.00 0.00 H new ATOM 0 HG2 GLN B 44 7.320 11.284 -1.390 1.00 0.00 H new ATOM 0 HG3 GLN B 44 6.869 12.374 -2.686 1.00 0.00 H new ATOM 0 HE21 GLN B 44 5.132 13.603 -2.084 1.00 0.00 H new ATOM 0 HE22 GLN B 44 3.807 13.033 -1.064 1.00 0.00 H new