USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 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= -5.56! C(o=-4.5!,f=-6!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= 0.00706 X(o=-4.5,f=-5) USER MOD Set 1.3: B 40 CYS SG : rot -143:sc= 0.358 USER MOD Set 1.4: B 43 CYS SG : rot 137:sc= 0.664 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -5.39! C(o=-4.4!,f=-6!) USER MOD Set 2.2: A 16 HIS : no HE2:sc= 0.0127 X(o=-4.4,f=-4.7) USER MOD Set 2.3: A 40 CYS SG : rot -143:sc= 0.36 USER MOD Set 2.4: A 43 CYS SG : rot 138:sc= 0.655 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.456 F(o=-1.3,f=-0.46) USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00266) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 61:sc= 1.13 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0256) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 35 GLN : amide:sc= -0.325 K(o=-0.33,f=-1.9!) USER MOD Single : A 38 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.7) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.2!) USER MOD Single : A 44 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.81) USER MOD Single : B 9 GLN :FLIP amide:sc= -0.467 F(o=-1.3,f=-0.47) USER MOD Single : B 14 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00178) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot 70:sc= 1.17 USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0238) USER MOD Single : B 30 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 35 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.8!) USER MOD Single : B 38 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.6) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.2!) USER MOD Single : B 44 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 6 -8.971 -8.107 -9.872 1.00 0.00 N ATOM 99 CA GLU A 6 -9.554 -7.890 -11.193 1.00 0.00 C ATOM 100 C GLU A 6 -11.078 -8.059 -11.151 1.00 0.00 C ATOM 101 O GLU A 6 -11.815 -7.119 -11.445 1.00 0.00 O ATOM 102 CB GLU A 6 -8.939 -8.848 -12.217 1.00 0.00 C ATOM 103 CG GLU A 6 -7.810 -8.231 -13.028 1.00 0.00 C ATOM 104 CD GLU A 6 -8.310 -7.237 -14.057 1.00 0.00 C ATOM 105 OE1 GLU A 6 -9.336 -7.520 -14.709 1.00 0.00 O ATOM 106 OE2 GLU A 6 -7.674 -6.172 -14.209 1.00 0.00 O ATOM 0 HA GLU A 6 -9.331 -6.867 -11.497 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.562 -9.729 -11.697 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.719 -9.189 -12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.114 -7.732 -12.354 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.255 -9.022 -13.532 1.00 0.00 H new ATOM 113 N PRO A 7 -11.577 -9.260 -10.775 1.00 0.00 N ATOM 114 CA PRO A 7 -13.021 -9.525 -10.692 1.00 0.00 C ATOM 115 C PRO A 7 -13.792 -8.386 -10.028 1.00 0.00 C ATOM 116 O PRO A 7 -14.934 -8.104 -10.387 1.00 0.00 O ATOM 117 CB PRO A 7 -13.090 -10.780 -9.823 1.00 0.00 C ATOM 118 CG PRO A 7 -11.818 -11.503 -10.099 1.00 0.00 C ATOM 119 CD PRO A 7 -10.782 -10.451 -10.400 1.00 0.00 C ATOM 0 HA PRO A 7 -13.471 -9.634 -11.679 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.179 -10.526 -8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.956 -11.391 -10.078 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.521 -12.105 -9.241 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.935 -12.184 -10.942 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.151 -10.253 -9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.122 -10.761 -11.210 1.00 0.00 H new ATOM 127 N ALA A 8 -13.155 -7.734 -9.058 1.00 0.00 N ATOM 128 CA ALA A 8 -13.780 -6.627 -8.348 1.00 0.00 C ATOM 129 C ALA A 8 -13.978 -5.431 -9.272 1.00 0.00 C ATOM 130 O ALA A 8 -15.006 -4.760 -9.221 1.00 0.00 O ATOM 131 CB ALA A 8 -12.945 -6.234 -7.136 1.00 0.00 C ATOM 0 H ALA A 8 -12.209 -7.954 -8.748 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.761 -6.954 -8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.426 -5.405 -6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.860 -7.086 -6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.951 -5.930 -7.462 1.00 0.00 H new ATOM 137 N GLN A 9 -12.990 -5.180 -10.123 1.00 0.00 N ATOM 138 CA GLN A 9 -13.064 -4.072 -11.067 1.00 0.00 C ATOM 139 C GLN A 9 -14.225 -4.277 -12.033 1.00 0.00 C ATOM 140 O GLN A 9 -14.898 -3.325 -12.424 1.00 0.00 O ATOM 141 CB GLN A 9 -11.752 -3.941 -11.842 1.00 0.00 C ATOM 142 CG GLN A 9 -10.691 -3.138 -11.109 1.00 0.00 C ATOM 143 CD GLN A 9 -9.307 -3.747 -11.239 1.00 0.00 C ATOM 144 OE1 GLN A 9 -9.042 -4.787 -10.458 1.00 0.00 O flip ATOM 145 NE2 GLN A 9 -8.487 -3.286 -12.032 1.00 0.00 N flip ATOM 0 H GLN A 9 -12.131 -5.727 -10.179 1.00 0.00 H new ATOM 0 HA GLN A 9 -13.231 -3.152 -10.507 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.362 -4.937 -12.051 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.953 -3.469 -12.804 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.675 -2.121 -11.501 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.956 -3.069 -10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.734 -2.485 -12.613 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.560 -3.705 -12.108 1.00 0.00 H new ATOM 154 N GLU A 10 -14.454 -5.531 -12.406 1.00 0.00 N ATOM 155 CA GLU A 10 -15.537 -5.873 -13.319 1.00 0.00 C ATOM 156 C GLU A 10 -16.890 -5.626 -12.663 1.00 0.00 C ATOM 157 O GLU A 10 -17.862 -5.270 -13.332 1.00 0.00 O ATOM 158 CB GLU A 10 -15.423 -7.338 -13.751 1.00 0.00 C ATOM 159 CG GLU A 10 -16.079 -7.632 -15.090 1.00 0.00 C ATOM 160 CD GLU A 10 -15.264 -8.590 -15.938 1.00 0.00 C ATOM 161 OE1 GLU A 10 -14.453 -9.348 -15.365 1.00 0.00 O ATOM 162 OE2 GLU A 10 -15.437 -8.586 -17.174 1.00 0.00 O ATOM 0 H GLU A 10 -13.903 -6.329 -12.089 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.457 -5.237 -14.200 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.369 -7.611 -13.805 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.877 -7.969 -12.987 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.070 -8.054 -14.921 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.219 -6.699 -15.635 1.00 0.00 H new ATOM 169 N GLU A 11 -16.947 -5.812 -11.350 1.00 0.00 N ATOM 170 CA GLU A 11 -18.177 -5.604 -10.596 1.00 0.00 C ATOM 171 C GLU A 11 -18.519 -4.123 -10.518 1.00 0.00 C ATOM 172 O GLU A 11 -19.665 -3.734 -10.740 1.00 0.00 O ATOM 173 CB GLU A 11 -18.043 -6.186 -9.186 1.00 0.00 C ATOM 174 CG GLU A 11 -19.304 -6.047 -8.348 1.00 0.00 C ATOM 175 CD GLU A 11 -20.409 -6.981 -8.797 1.00 0.00 C ATOM 176 OE1 GLU A 11 -20.162 -8.204 -8.866 1.00 0.00 O ATOM 177 OE2 GLU A 11 -21.521 -6.490 -9.083 1.00 0.00 O ATOM 0 H GLU A 11 -16.152 -6.108 -10.783 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.985 -6.119 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.781 -7.241 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.219 -5.689 -8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.066 -6.248 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.659 -5.018 -8.401 1.00 0.00 H new ATOM 184 N HIS A 12 -17.525 -3.296 -10.207 1.00 0.00 N ATOM 185 CA HIS A 12 -17.755 -1.863 -10.117 1.00 0.00 C ATOM 186 C HIS A 12 -18.166 -1.303 -11.477 1.00 0.00 C ATOM 187 O HIS A 12 -19.039 -0.446 -11.568 1.00 0.00 O ATOM 188 CB HIS A 12 -16.515 -1.118 -9.598 1.00 0.00 C ATOM 189 CG HIS A 12 -16.770 0.348 -9.456 1.00 0.00 C ATOM 190 ND1 HIS A 12 -16.831 1.017 -8.251 1.00 0.00 N ATOM 191 CD2 HIS A 12 -17.117 1.248 -10.402 1.00 0.00 C ATOM 192 CE1 HIS A 12 -17.229 2.274 -8.501 1.00 0.00 C ATOM 193 NE2 HIS A 12 -17.415 2.459 -9.792 1.00 0.00 N ATOM 0 H HIS A 12 -16.567 -3.590 -10.016 1.00 0.00 H new ATOM 0 HA HIS A 12 -18.564 -1.707 -9.403 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -16.219 -1.531 -8.634 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.682 -1.278 -10.282 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -16.613 0.626 -7.334 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -17.156 1.056 -11.464 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -17.377 3.032 -7.746 1.00 0.00 H new ATOM 201 N GLU A 13 -17.522 -1.781 -12.529 1.00 0.00 N ATOM 202 CA GLU A 13 -17.816 -1.316 -13.879 1.00 0.00 C ATOM 203 C GLU A 13 -19.250 -1.648 -14.304 1.00 0.00 C ATOM 204 O GLU A 13 -19.735 -1.124 -15.309 1.00 0.00 O ATOM 205 CB GLU A 13 -16.828 -1.929 -14.873 1.00 0.00 C ATOM 206 CG GLU A 13 -15.482 -1.222 -14.908 1.00 0.00 C ATOM 207 CD GLU A 13 -14.690 -1.543 -16.159 1.00 0.00 C ATOM 208 OE1 GLU A 13 -15.300 -1.636 -17.244 1.00 0.00 O ATOM 209 OE2 GLU A 13 -13.455 -1.703 -16.053 1.00 0.00 O ATOM 0 H GLU A 13 -16.792 -2.491 -12.477 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.714 -0.231 -13.878 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.672 -2.977 -14.618 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.267 -1.906 -15.870 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.639 -0.145 -14.848 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.902 -1.509 -14.031 1.00 0.00 H new ATOM 216 N LYS A 14 -19.923 -2.527 -13.562 1.00 0.00 N ATOM 217 CA LYS A 14 -21.286 -2.918 -13.907 1.00 0.00 C ATOM 218 C LYS A 14 -22.340 -2.190 -13.064 1.00 0.00 C ATOM 219 O LYS A 14 -23.392 -1.811 -13.580 1.00 0.00 O ATOM 220 CB LYS A 14 -21.450 -4.429 -13.753 1.00 0.00 C ATOM 221 CG LYS A 14 -22.315 -5.061 -14.831 1.00 0.00 C ATOM 222 CD LYS A 14 -22.618 -6.517 -14.518 1.00 0.00 C ATOM 223 CE LYS A 14 -21.612 -7.450 -15.170 1.00 0.00 C ATOM 224 NZ LYS A 14 -21.876 -7.624 -16.626 1.00 0.00 N ATOM 0 H LYS A 14 -19.550 -2.977 -12.726 1.00 0.00 H new ATOM 0 HA LYS A 14 -21.449 -2.629 -14.945 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.465 -4.896 -13.769 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -21.888 -4.641 -12.777 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -23.248 -4.505 -14.923 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -21.807 -4.992 -15.793 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.608 -6.667 -13.438 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.622 -6.763 -14.865 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -20.606 -7.055 -15.028 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -21.645 -8.421 -14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.188 -8.294 -17.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -22.839 -7.993 -16.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -21.786 -6.707 -17.107 1.00 0.00 H new ATOM 238 N TYR A 15 -22.075 -2.015 -11.770 1.00 0.00 N ATOM 239 CA TYR A 15 -23.039 -1.352 -10.884 1.00 0.00 C ATOM 240 C TYR A 15 -22.400 -0.247 -10.037 1.00 0.00 C ATOM 241 O TYR A 15 -22.958 0.152 -9.014 1.00 0.00 O ATOM 242 CB TYR A 15 -23.682 -2.382 -9.953 1.00 0.00 C ATOM 243 CG TYR A 15 -24.097 -3.661 -10.646 1.00 0.00 C ATOM 244 CD1 TYR A 15 -25.351 -3.771 -11.231 1.00 0.00 C ATOM 245 CD2 TYR A 15 -23.243 -4.756 -10.704 1.00 0.00 C ATOM 246 CE1 TYR A 15 -25.743 -4.938 -11.861 1.00 0.00 C ATOM 247 CE2 TYR A 15 -23.630 -5.926 -11.331 1.00 0.00 C ATOM 248 CZ TYR A 15 -24.879 -6.011 -11.906 1.00 0.00 C ATOM 249 OH TYR A 15 -25.266 -7.176 -12.528 1.00 0.00 O ATOM 0 H TYR A 15 -21.214 -2.317 -11.314 1.00 0.00 H new ATOM 0 HA TYR A 15 -23.790 -0.889 -11.524 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -22.980 -2.624 -9.155 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -24.558 -1.935 -9.482 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -26.031 -2.933 -11.194 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -22.264 -4.692 -10.253 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -26.720 -5.008 -12.315 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -22.956 -6.769 -11.370 1.00 0.00 H new ATOM 0 HH TYR A 15 -24.541 -7.833 -12.472 1.00 0.00 H new ATOM 259 N HIS A 16 -21.229 0.237 -10.455 1.00 0.00 N ATOM 260 CA HIS A 16 -20.501 1.289 -9.726 1.00 0.00 C ATOM 261 C HIS A 16 -20.507 1.045 -8.213 1.00 0.00 C ATOM 262 O HIS A 16 -20.713 1.965 -7.420 1.00 0.00 O ATOM 263 CB HIS A 16 -21.062 2.677 -10.040 1.00 0.00 C ATOM 264 CG HIS A 16 -20.809 3.126 -11.450 1.00 0.00 C ATOM 265 ND1 HIS A 16 -19.626 3.726 -11.835 1.00 0.00 N ATOM 266 CD2 HIS A 16 -21.626 3.039 -12.532 1.00 0.00 C ATOM 267 CE1 HIS A 16 -19.752 3.985 -13.124 1.00 0.00 C ATOM 268 NE2 HIS A 16 -20.945 3.588 -13.589 1.00 0.00 N ATOM 0 H HIS A 16 -20.758 -0.083 -11.301 1.00 0.00 H new ATOM 0 HA HIS A 16 -19.467 1.249 -10.069 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -22.136 2.675 -9.856 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -20.623 3.401 -9.353 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -18.819 3.928 -11.244 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.620 2.618 -12.556 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -18.990 4.457 -13.727 1.00 0.00 H new ATOM 276 N SER A 17 -20.287 -0.210 -7.831 1.00 0.00 N ATOM 277 CA SER A 17 -20.270 -0.606 -6.425 1.00 0.00 C ATOM 278 C SER A 17 -19.290 0.238 -5.614 1.00 0.00 C ATOM 279 O SER A 17 -18.291 0.727 -6.140 1.00 0.00 O ATOM 280 CB SER A 17 -19.900 -2.086 -6.307 1.00 0.00 C ATOM 281 OG SER A 17 -20.941 -2.915 -6.792 1.00 0.00 O ATOM 0 H SER A 17 -20.117 -0.977 -8.482 1.00 0.00 H new ATOM 0 HA SER A 17 -21.268 -0.442 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.986 -2.281 -6.868 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.693 -2.330 -5.265 1.00 0.00 H new ATOM 0 HG SER A 17 -20.677 -3.855 -6.706 1.00 0.00 H new ATOM 287 N ASN A 18 -19.585 0.406 -4.328 1.00 0.00 N ATOM 288 CA ASN A 18 -18.734 1.190 -3.442 1.00 0.00 C ATOM 289 C ASN A 18 -17.658 0.317 -2.802 1.00 0.00 C ATOM 290 O ASN A 18 -17.670 -0.905 -2.952 1.00 0.00 O ATOM 291 CB ASN A 18 -19.580 1.859 -2.358 1.00 0.00 C ATOM 292 CG ASN A 18 -20.613 2.805 -2.937 1.00 0.00 C ATOM 293 OD1 ASN A 18 -20.299 3.638 -3.785 1.00 0.00 O ATOM 294 ND2 ASN A 18 -21.854 2.678 -2.482 1.00 0.00 N ATOM 0 H ASN A 18 -20.409 0.008 -3.877 1.00 0.00 H new ATOM 0 HA ASN A 18 -18.240 1.959 -4.037 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -20.083 1.093 -1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.928 2.408 -1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -22.592 3.286 -2.837 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -22.069 1.972 -1.778 1.00 0.00 H new ATOM 301 N VAL A 19 -16.731 0.951 -2.088 1.00 0.00 N ATOM 302 CA VAL A 19 -15.647 0.230 -1.424 1.00 0.00 C ATOM 303 C VAL A 19 -16.193 -0.830 -0.474 1.00 0.00 C ATOM 304 O VAL A 19 -15.809 -1.996 -0.544 1.00 0.00 O ATOM 305 CB VAL A 19 -14.732 1.193 -0.638 1.00 0.00 C ATOM 306 CG1 VAL A 19 -13.536 0.452 -0.053 1.00 0.00 C ATOM 307 CG2 VAL A 19 -14.277 2.346 -1.526 1.00 0.00 C ATOM 0 H VAL A 19 -16.708 1.962 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 19 -15.063 -0.256 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.306 1.608 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.907 1.153 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.886 -0.328 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.958 0.000 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.633 3.014 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.725 1.952 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.148 2.898 -1.881 1.00 0.00 H new ATOM 317 N LYS A 20 -17.093 -0.415 0.412 1.00 0.00 N ATOM 318 CA LYS A 20 -17.699 -1.332 1.378 1.00 0.00 C ATOM 319 C LYS A 20 -18.325 -2.535 0.675 1.00 0.00 C ATOM 320 O LYS A 20 -18.422 -3.621 1.248 1.00 0.00 O ATOM 321 CB LYS A 20 -18.754 -0.605 2.210 1.00 0.00 C ATOM 322 CG LYS A 20 -18.854 -1.110 3.644 1.00 0.00 C ATOM 323 CD LYS A 20 -20.060 -2.017 3.838 1.00 0.00 C ATOM 324 CE LYS A 20 -20.339 -2.264 5.311 1.00 0.00 C ATOM 325 NZ LYS A 20 -21.021 -3.567 5.539 1.00 0.00 N ATOM 0 H LYS A 20 -17.420 0.549 0.483 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.911 -1.694 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.523 0.460 2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.725 -0.714 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.945 -1.653 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.923 -0.262 4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.935 -1.565 3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.886 -2.968 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.401 -2.244 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.958 -1.457 5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.193 -3.696 6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.928 -3.578 5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.419 -4.340 5.189 1.00 0.00 H new ATOM 339 N GLU A 21 -18.738 -2.338 -0.575 1.00 0.00 N ATOM 340 CA GLU A 21 -19.341 -3.409 -1.355 1.00 0.00 C ATOM 341 C GLU A 21 -18.262 -4.322 -1.928 1.00 0.00 C ATOM 342 O GLU A 21 -18.358 -5.547 -1.834 1.00 0.00 O ATOM 343 CB GLU A 21 -20.188 -2.828 -2.485 1.00 0.00 C ATOM 344 CG GLU A 21 -21.333 -3.733 -2.916 1.00 0.00 C ATOM 345 CD GLU A 21 -22.622 -3.435 -2.177 1.00 0.00 C ATOM 346 OE1 GLU A 21 -22.741 -2.326 -1.613 1.00 0.00 O ATOM 347 OE2 GLU A 21 -23.512 -4.310 -2.162 1.00 0.00 O ATOM 0 H GLU A 21 -18.665 -1.447 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.983 -3.995 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.595 -1.868 -2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.547 -2.633 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -21.498 -3.618 -3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.053 -4.773 -2.746 1.00 0.00 H new ATOM 354 N LEU A 22 -17.232 -3.721 -2.514 1.00 0.00 N ATOM 355 CA LEU A 22 -16.132 -4.486 -3.090 1.00 0.00 C ATOM 356 C LEU A 22 -15.360 -5.224 -2.000 1.00 0.00 C ATOM 357 O LEU A 22 -14.848 -6.320 -2.224 1.00 0.00 O ATOM 358 CB LEU A 22 -15.175 -3.568 -3.861 1.00 0.00 C ATOM 359 CG LEU A 22 -15.609 -3.177 -5.281 1.00 0.00 C ATOM 360 CD1 LEU A 22 -16.044 -4.401 -6.074 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.721 -2.142 -5.237 1.00 0.00 C ATOM 0 H LEU A 22 -17.136 -2.709 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.559 -5.213 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -15.035 -2.655 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.204 -4.059 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.750 -2.735 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.346 -4.097 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.214 -5.104 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -16.884 -4.881 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -17.014 -1.879 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -17.580 -2.553 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -16.368 -1.250 -4.719 1.00 0.00 H new ATOM 373 N SER A 23 -15.273 -4.609 -0.824 1.00 0.00 N ATOM 374 CA SER A 23 -14.555 -5.202 0.299 1.00 0.00 C ATOM 375 C SER A 23 -15.365 -6.313 0.962 1.00 0.00 C ATOM 376 O SER A 23 -14.809 -7.331 1.380 1.00 0.00 O ATOM 377 CB SER A 23 -14.211 -4.126 1.330 1.00 0.00 C ATOM 378 OG SER A 23 -13.826 -4.705 2.566 1.00 0.00 O ATOM 0 H SER A 23 -15.691 -3.700 -0.624 1.00 0.00 H new ATOM 0 HA SER A 23 -13.637 -5.642 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.403 -3.500 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.073 -3.476 1.483 1.00 0.00 H new ATOM 0 HG SER A 23 -13.030 -5.261 2.433 1.00 0.00 H new ATOM 384 N HIS A 24 -16.673 -6.115 1.063 1.00 0.00 N ATOM 385 CA HIS A 24 -17.547 -7.101 1.687 1.00 0.00 C ATOM 386 C HIS A 24 -17.864 -8.244 0.726 1.00 0.00 C ATOM 387 O HIS A 24 -18.098 -9.375 1.151 1.00 0.00 O ATOM 388 CB HIS A 24 -18.838 -6.428 2.164 1.00 0.00 C ATOM 389 CG HIS A 24 -19.819 -7.369 2.796 1.00 0.00 C ATOM 390 ND1 HIS A 24 -19.519 -8.053 3.949 1.00 0.00 N ATOM 391 CD2 HIS A 24 -21.069 -7.698 2.397 1.00 0.00 C ATOM 392 CE1 HIS A 24 -20.589 -8.778 4.227 1.00 0.00 C ATOM 393 NE2 HIS A 24 -21.555 -8.595 3.313 1.00 0.00 N ATOM 0 H HIS A 24 -17.152 -5.282 0.721 1.00 0.00 H new ATOM 0 HA HIS A 24 -17.027 -7.524 2.547 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.585 -5.647 2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.315 -5.938 1.315 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -21.585 -7.326 1.524 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -20.675 -9.434 5.081 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -22.474 -9.038 3.302 1.00 0.00 H new ATOM 401 N LYS A 25 -17.876 -7.943 -0.570 1.00 0.00 N ATOM 402 CA LYS A 25 -18.170 -8.954 -1.580 1.00 0.00 C ATOM 403 C LYS A 25 -16.945 -9.815 -1.879 1.00 0.00 C ATOM 404 O LYS A 25 -16.993 -11.038 -1.759 1.00 0.00 O ATOM 405 CB LYS A 25 -18.666 -8.296 -2.868 1.00 0.00 C ATOM 406 CG LYS A 25 -19.498 -9.227 -3.739 1.00 0.00 C ATOM 407 CD LYS A 25 -19.109 -9.122 -5.205 1.00 0.00 C ATOM 408 CE LYS A 25 -19.878 -10.121 -6.055 1.00 0.00 C ATOM 409 NZ LYS A 25 -21.325 -9.785 -6.135 1.00 0.00 N ATOM 0 H LYS A 25 -17.687 -7.013 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.953 -9.599 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.262 -7.419 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.808 -7.944 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.368 -10.255 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.555 -8.985 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.304 -8.111 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.039 -9.298 -5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.455 -10.144 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.760 -11.120 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.794 -10.429 -6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.757 -9.887 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.436 -8.804 -6.463 1.00 0.00 H new ATOM 423 N PHE A 26 -15.854 -9.171 -2.278 1.00 0.00 N ATOM 424 CA PHE A 26 -14.624 -9.884 -2.604 1.00 0.00 C ATOM 425 C PHE A 26 -13.690 -10.009 -1.395 1.00 0.00 C ATOM 426 O PHE A 26 -12.535 -10.406 -1.539 1.00 0.00 O ATOM 427 CB PHE A 26 -13.902 -9.183 -3.754 1.00 0.00 C ATOM 428 CG PHE A 26 -14.756 -9.036 -4.980 1.00 0.00 C ATOM 429 CD1 PHE A 26 -14.777 -10.026 -5.949 1.00 0.00 C ATOM 430 CD2 PHE A 26 -15.545 -7.911 -5.159 1.00 0.00 C ATOM 431 CE1 PHE A 26 -15.570 -9.898 -7.074 1.00 0.00 C ATOM 432 CE2 PHE A 26 -16.339 -7.777 -6.282 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.351 -8.771 -7.241 1.00 0.00 C ATOM 0 H PHE A 26 -15.796 -8.158 -2.383 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.902 -10.894 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.577 -8.196 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.004 -9.746 -4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.167 -10.908 -5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.539 -7.130 -4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.579 -10.678 -7.821 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.950 -6.896 -6.410 1.00 0.00 H new ATOM 0 HZ PHE A 26 -16.970 -8.667 -8.120 1.00 0.00 H new ATOM 443 N GLY A 27 -14.194 -9.682 -0.203 1.00 0.00 N ATOM 444 CA GLY A 27 -13.386 -9.780 1.005 1.00 0.00 C ATOM 445 C GLY A 27 -12.044 -9.075 0.894 1.00 0.00 C ATOM 446 O GLY A 27 -11.053 -9.530 1.467 1.00 0.00 O ATOM 0 H GLY A 27 -15.147 -9.351 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.943 -9.356 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.217 -10.832 1.236 1.00 0.00 H new ATOM 450 N ILE A 28 -12.006 -7.964 0.167 1.00 0.00 N ATOM 451 CA ILE A 28 -10.770 -7.209 0.000 1.00 0.00 C ATOM 452 C ILE A 28 -10.738 -5.991 0.924 1.00 0.00 C ATOM 453 O ILE A 28 -11.776 -5.384 1.190 1.00 0.00 O ATOM 454 CB ILE A 28 -10.576 -6.740 -1.454 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.794 -5.950 -1.931 1.00 0.00 C ATOM 456 CG2 ILE A 28 -10.320 -7.929 -2.366 1.00 0.00 C ATOM 457 CD1 ILE A 28 -11.599 -5.295 -3.283 1.00 0.00 C ATOM 0 H ILE A 28 -12.813 -7.568 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.957 -7.886 0.262 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.707 -6.084 -1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.654 -6.618 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.030 -5.182 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.185 -7.580 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.421 -8.451 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.170 -8.610 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.503 -4.752 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.760 -4.601 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.394 -6.060 -4.032 1.00 0.00 H new ATOM 469 N PRO A 29 -9.547 -5.610 1.430 1.00 0.00 N ATOM 470 CA PRO A 29 -9.410 -4.455 2.325 1.00 0.00 C ATOM 471 C PRO A 29 -9.897 -3.164 1.673 1.00 0.00 C ATOM 472 O PRO A 29 -9.994 -3.073 0.450 1.00 0.00 O ATOM 473 CB PRO A 29 -7.903 -4.375 2.598 1.00 0.00 C ATOM 474 CG PRO A 29 -7.378 -5.732 2.280 1.00 0.00 C ATOM 475 CD PRO A 29 -8.247 -6.262 1.178 1.00 0.00 C ATOM 0 HA PRO A 29 -10.009 -4.572 3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.430 -3.614 1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.704 -4.109 3.636 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.335 -5.684 1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.418 -6.381 3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.852 -6.006 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.327 -7.348 1.216 1.00 0.00 H new ATOM 483 N ASN A 30 -10.197 -2.165 2.499 1.00 0.00 N ATOM 484 CA ASN A 30 -10.669 -0.877 1.999 1.00 0.00 C ATOM 485 C ASN A 30 -9.648 -0.249 1.055 1.00 0.00 C ATOM 486 O ASN A 30 -10.005 0.487 0.137 1.00 0.00 O ATOM 487 CB ASN A 30 -10.951 0.075 3.164 1.00 0.00 C ATOM 488 CG ASN A 30 -12.171 -0.336 3.965 1.00 0.00 C ATOM 489 OD1 ASN A 30 -12.175 -1.376 4.624 1.00 0.00 O ATOM 490 ND2 ASN A 30 -13.215 0.484 3.914 1.00 0.00 N ATOM 0 H ASN A 30 -10.122 -2.222 3.515 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.592 -1.050 1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.082 0.107 3.821 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.096 1.084 2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.064 0.262 4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.168 1.336 3.355 1.00 0.00 H new ATOM 497 N LEU A 31 -8.372 -0.550 1.287 1.00 0.00 N ATOM 498 CA LEU A 31 -7.295 -0.017 0.458 1.00 0.00 C ATOM 499 C LEU A 31 -7.476 -0.428 -0.999 1.00 0.00 C ATOM 500 O LEU A 31 -7.591 0.417 -1.884 1.00 0.00 O ATOM 501 CB LEU A 31 -5.939 -0.508 0.972 1.00 0.00 C ATOM 502 CG LEU A 31 -4.730 -0.065 0.140 1.00 0.00 C ATOM 503 CD1 LEU A 31 -4.047 1.132 0.783 1.00 0.00 C ATOM 504 CD2 LEU A 31 -3.743 -1.212 -0.032 1.00 0.00 C ATOM 0 H LEU A 31 -8.059 -1.160 2.042 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.328 1.071 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.806 -0.155 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.955 -1.597 1.010 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.087 0.230 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.191 1.431 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.752 1.961 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.707 0.863 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.893 -0.875 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.394 -1.542 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.234 -2.042 -0.540 1.00 0.00 H new ATOM 516 N VAL A 32 -7.501 -1.736 -1.239 1.00 0.00 N ATOM 517 CA VAL A 32 -7.670 -2.262 -2.590 1.00 0.00 C ATOM 518 C VAL A 32 -8.980 -1.772 -3.199 1.00 0.00 C ATOM 519 O VAL A 32 -9.013 -1.304 -4.337 1.00 0.00 O ATOM 520 CB VAL A 32 -7.652 -3.805 -2.601 1.00 0.00 C ATOM 521 CG1 VAL A 32 -7.683 -4.334 -4.029 1.00 0.00 C ATOM 522 CG2 VAL A 32 -6.433 -4.337 -1.857 1.00 0.00 C ATOM 0 H VAL A 32 -7.407 -2.450 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.832 -1.897 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.546 -4.158 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.670 -5.424 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.590 -3.989 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.811 -3.968 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.441 -5.427 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.525 -3.972 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.459 -3.993 -0.823 1.00 0.00 H new ATOM 532 N ALA A 33 -10.058 -1.881 -2.429 1.00 0.00 N ATOM 533 CA ALA A 33 -11.373 -1.448 -2.886 1.00 0.00 C ATOM 534 C ALA A 33 -11.372 0.034 -3.255 1.00 0.00 C ATOM 535 O ALA A 33 -12.065 0.448 -4.184 1.00 0.00 O ATOM 536 CB ALA A 33 -12.417 -1.721 -1.814 1.00 0.00 C ATOM 0 H ALA A 33 -10.046 -2.266 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.622 -2.017 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.395 -1.393 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.448 -2.789 -1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.158 -1.176 -0.906 1.00 0.00 H new ATOM 542 N ARG A 34 -10.595 0.827 -2.524 1.00 0.00 N ATOM 543 CA ARG A 34 -10.514 2.261 -2.782 1.00 0.00 C ATOM 544 C ARG A 34 -9.922 2.534 -4.161 1.00 0.00 C ATOM 545 O ARG A 34 -10.387 3.416 -4.884 1.00 0.00 O ATOM 546 CB ARG A 34 -9.673 2.948 -1.702 1.00 0.00 C ATOM 547 CG ARG A 34 -10.499 3.546 -0.575 1.00 0.00 C ATOM 548 CD ARG A 34 -9.626 4.307 0.408 1.00 0.00 C ATOM 549 NE ARG A 34 -10.417 5.017 1.413 1.00 0.00 N ATOM 550 CZ ARG A 34 -9.922 5.490 2.557 1.00 0.00 C ATOM 551 NH1 ARG A 34 -8.636 5.339 2.853 1.00 0.00 N ATOM 552 NH2 ARG A 34 -10.719 6.118 3.411 1.00 0.00 N ATOM 0 H ARG A 34 -10.014 0.503 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.525 2.668 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.973 2.225 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.079 3.737 -2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.252 4.216 -0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.032 2.752 -0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.950 3.611 0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.007 5.021 -0.135 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.410 5.159 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.016 4.857 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.268 5.705 3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.708 6.238 3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.343 6.481 4.287 1.00 0.00 H new ATOM 566 N GLN A 35 -8.895 1.773 -4.519 1.00 0.00 N ATOM 567 CA GLN A 35 -8.239 1.935 -5.811 1.00 0.00 C ATOM 568 C GLN A 35 -9.219 1.687 -6.953 1.00 0.00 C ATOM 569 O GLN A 35 -9.136 2.322 -8.005 1.00 0.00 O ATOM 570 CB GLN A 35 -7.049 0.983 -5.926 1.00 0.00 C ATOM 571 CG GLN A 35 -5.971 1.233 -4.882 1.00 0.00 C ATOM 572 CD GLN A 35 -5.244 -0.034 -4.479 1.00 0.00 C ATOM 573 OE1 GLN A 35 -4.949 -0.245 -3.303 1.00 0.00 O ATOM 574 NE2 GLN A 35 -4.950 -0.886 -5.454 1.00 0.00 N ATOM 0 H GLN A 35 -8.498 1.038 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.880 2.962 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.404 -0.043 -5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.611 1.079 -6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.251 1.952 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.423 1.684 -3.999 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.213 -0.671 -6.416 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.461 -1.755 -5.241 1.00 0.00 H new ATOM 583 N ILE A 36 -10.152 0.764 -6.739 1.00 0.00 N ATOM 584 CA ILE A 36 -11.151 0.442 -7.750 1.00 0.00 C ATOM 585 C ILE A 36 -12.073 1.631 -7.994 1.00 0.00 C ATOM 586 O ILE A 36 -12.193 2.114 -9.121 1.00 0.00 O ATOM 587 CB ILE A 36 -11.992 -0.786 -7.340 1.00 0.00 C ATOM 588 CG1 ILE A 36 -11.079 -1.965 -6.993 1.00 0.00 C ATOM 589 CG2 ILE A 36 -12.959 -1.173 -8.450 1.00 0.00 C ATOM 590 CD1 ILE A 36 -11.826 -3.192 -6.517 1.00 0.00 C ATOM 0 H ILE A 36 -10.236 0.227 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.617 0.205 -8.670 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.574 -0.523 -6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.489 -2.227 -7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.377 -1.654 -6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.541 -2.041 -8.139 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.631 -0.339 -8.654 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.398 -1.417 -9.352 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.114 -3.986 -6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.394 -2.947 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.508 -3.528 -7.298 1.00 0.00 H new ATOM 602 N VAL A 37 -12.716 2.102 -6.933 1.00 0.00 N ATOM 603 CA VAL A 37 -13.620 3.239 -7.035 1.00 0.00 C ATOM 604 C VAL A 37 -12.862 4.493 -7.455 1.00 0.00 C ATOM 605 O VAL A 37 -13.355 5.291 -8.253 1.00 0.00 O ATOM 606 CB VAL A 37 -14.337 3.507 -5.696 1.00 0.00 C ATOM 607 CG1 VAL A 37 -15.374 4.609 -5.850 1.00 0.00 C ATOM 608 CG2 VAL A 37 -14.977 2.233 -5.169 1.00 0.00 C ATOM 0 H VAL A 37 -12.628 1.715 -5.994 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.365 2.993 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.595 3.841 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.867 4.781 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.884 5.527 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -16.115 4.310 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -15.478 2.442 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.705 1.865 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.207 1.477 -5.013 1.00 0.00 H new ATOM 618 N ASN A 38 -11.661 4.659 -6.912 1.00 0.00 N ATOM 619 CA ASN A 38 -10.830 5.814 -7.228 1.00 0.00 C ATOM 620 C ASN A 38 -10.470 5.836 -8.709 1.00 0.00 C ATOM 621 O ASN A 38 -10.331 6.901 -9.308 1.00 0.00 O ATOM 622 CB ASN A 38 -9.556 5.799 -6.380 1.00 0.00 C ATOM 623 CG ASN A 38 -9.824 6.128 -4.926 1.00 0.00 C ATOM 624 OD1 ASN A 38 -10.972 6.123 -4.477 1.00 0.00 O ATOM 625 ND2 ASN A 38 -8.764 6.418 -4.180 1.00 0.00 N ATOM 0 H ASN A 38 -11.241 4.007 -6.250 1.00 0.00 H new ATOM 0 HA ASN A 38 -11.400 6.714 -6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.090 4.816 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.844 6.517 -6.787 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.882 6.649 -3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.832 6.410 -4.594 1.00 0.00 H new ATOM 632 N SER A 39 -10.319 4.652 -9.295 1.00 0.00 N ATOM 633 CA SER A 39 -9.978 4.539 -10.709 1.00 0.00 C ATOM 634 C SER A 39 -11.142 4.983 -11.588 1.00 0.00 C ATOM 635 O SER A 39 -10.942 5.483 -12.695 1.00 0.00 O ATOM 636 CB SER A 39 -9.587 3.099 -11.046 1.00 0.00 C ATOM 637 OG SER A 39 -8.867 3.037 -12.267 1.00 0.00 O ATOM 0 H SER A 39 -10.427 3.759 -8.814 1.00 0.00 H new ATOM 0 HA SER A 39 -9.130 5.194 -10.906 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.979 2.686 -10.241 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.483 2.483 -11.117 1.00 0.00 H new ATOM 0 HG SER A 39 -8.628 2.106 -12.459 1.00 0.00 H new ATOM 643 N CYS A 40 -12.361 4.796 -11.089 1.00 0.00 N ATOM 644 CA CYS A 40 -13.556 5.177 -11.831 1.00 0.00 C ATOM 645 C CYS A 40 -13.642 6.693 -11.991 1.00 0.00 C ATOM 646 O CYS A 40 -13.522 7.437 -11.018 1.00 0.00 O ATOM 647 CB CYS A 40 -14.810 4.656 -11.123 1.00 0.00 C ATOM 648 SG CYS A 40 -16.343 4.955 -12.035 1.00 0.00 S ATOM 0 H CYS A 40 -12.546 4.383 -10.175 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.493 4.729 -12.823 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -14.702 3.585 -10.955 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.884 5.127 -10.143 1.00 0.00 H new ATOM 0 HG CYS A 40 -17.297 5.240 -11.199 1.00 0.00 H new ATOM 653 N ALA A 41 -13.850 7.143 -13.224 1.00 0.00 N ATOM 654 CA ALA A 41 -13.952 8.569 -13.513 1.00 0.00 C ATOM 655 C ALA A 41 -15.338 9.101 -13.167 1.00 0.00 C ATOM 656 O ALA A 41 -15.469 10.135 -12.511 1.00 0.00 O ATOM 657 CB ALA A 41 -13.633 8.834 -14.976 1.00 0.00 C ATOM 0 H ALA A 41 -13.951 6.540 -14.040 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.225 9.094 -12.893 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.713 9.902 -15.178 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.619 8.498 -15.194 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.338 8.292 -15.606 1.00 0.00 H new ATOM 663 N GLN A 42 -16.371 8.390 -13.613 1.00 0.00 N ATOM 664 CA GLN A 42 -17.753 8.788 -13.351 1.00 0.00 C ATOM 665 C GLN A 42 -18.009 8.940 -11.852 1.00 0.00 C ATOM 666 O GLN A 42 -18.841 9.744 -11.431 1.00 0.00 O ATOM 667 CB GLN A 42 -18.718 7.759 -13.940 1.00 0.00 C ATOM 668 CG GLN A 42 -20.182 8.138 -13.785 1.00 0.00 C ATOM 669 CD GLN A 42 -20.738 8.821 -15.018 1.00 0.00 C ATOM 670 OE1 GLN A 42 -20.368 8.496 -16.145 1.00 0.00 O ATOM 671 NE2 GLN A 42 -21.634 9.780 -14.810 1.00 0.00 N ATOM 0 H GLN A 42 -16.277 7.533 -14.159 1.00 0.00 H new ATOM 0 HA GLN A 42 -17.921 9.754 -13.827 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -18.495 7.629 -14.999 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -18.548 6.796 -13.458 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -20.766 7.242 -13.576 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -20.294 8.799 -12.926 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -21.914 10.019 -13.859 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -22.042 10.277 -15.602 1.00 0.00 H new ATOM 680 N CYS A 43 -17.285 8.162 -11.054 1.00 0.00 N ATOM 681 CA CYS A 43 -17.429 8.205 -9.606 1.00 0.00 C ATOM 682 C CYS A 43 -16.473 9.225 -8.991 1.00 0.00 C ATOM 683 O CYS A 43 -16.766 9.816 -7.952 1.00 0.00 O ATOM 684 CB CYS A 43 -17.177 6.819 -9.005 1.00 0.00 C ATOM 685 SG CYS A 43 -18.594 5.700 -9.111 1.00 0.00 S ATOM 0 H CYS A 43 -16.591 7.493 -11.388 1.00 0.00 H new ATOM 0 HA CYS A 43 -18.450 8.511 -9.377 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -16.328 6.363 -9.514 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -16.896 6.934 -7.958 1.00 0.00 H new ATOM 0 HG CYS A 43 -18.185 4.513 -9.448 1.00 0.00 H new ATOM 690 N GLN A 44 -15.331 9.427 -9.641 1.00 0.00 N ATOM 691 CA GLN A 44 -14.339 10.378 -9.157 1.00 0.00 C ATOM 692 C GLN A 44 -14.898 11.800 -9.174 1.00 0.00 C ATOM 693 O GLN A 44 -14.905 12.487 -8.151 1.00 0.00 O ATOM 694 CB GLN A 44 -13.068 10.299 -10.010 1.00 0.00 C ATOM 695 CG GLN A 44 -11.960 9.476 -9.373 1.00 0.00 C ATOM 696 CD GLN A 44 -10.647 9.595 -10.118 1.00 0.00 C ATOM 697 OE1 GLN A 44 -9.622 9.960 -9.539 1.00 0.00 O ATOM 698 NE2 GLN A 44 -10.669 9.291 -11.411 1.00 0.00 N ATOM 0 H GLN A 44 -15.071 8.946 -10.502 1.00 0.00 H new ATOM 0 HA GLN A 44 -14.090 10.119 -8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.317 9.869 -10.980 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.700 11.308 -10.194 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.819 9.799 -8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.262 8.429 -9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.540 8.993 -11.850 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.815 9.356 -11.965 1.00 0.00 H new ATOM 845 N GLU B 6 3.402 -8.093 2.016 1.00 0.00 N ATOM 846 CA GLU B 6 3.987 -7.871 3.335 1.00 0.00 C ATOM 847 C GLU B 6 5.508 -8.053 3.296 1.00 0.00 C ATOM 848 O GLU B 6 6.253 -7.116 3.583 1.00 0.00 O ATOM 849 CB GLU B 6 3.364 -8.819 4.364 1.00 0.00 C ATOM 850 CG GLU B 6 2.240 -8.187 5.169 1.00 0.00 C ATOM 851 CD GLU B 6 2.744 -7.191 6.195 1.00 0.00 C ATOM 852 OE1 GLU B 6 3.767 -7.478 6.850 1.00 0.00 O ATOM 853 OE2 GLU B 6 2.115 -6.122 6.342 1.00 0.00 O ATOM 0 HA GLU B 6 3.773 -6.844 3.632 1.00 0.00 H new ATOM 0 HB2 GLU B 6 2.981 -9.700 3.849 1.00 0.00 H new ATOM 0 HB3 GLU B 6 4.141 -9.162 5.047 1.00 0.00 H new ATOM 0 HG2 GLU B 6 1.550 -7.686 4.490 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.676 -8.970 5.675 1.00 0.00 H new ATOM 860 N PRO B 7 6.000 -9.260 2.929 1.00 0.00 N ATOM 861 CA PRO B 7 7.440 -9.537 2.846 1.00 0.00 C ATOM 862 C PRO B 7 8.221 -8.407 2.177 1.00 0.00 C ATOM 863 O PRO B 7 9.366 -8.132 2.538 1.00 0.00 O ATOM 864 CB PRO B 7 7.501 -10.798 1.989 1.00 0.00 C ATOM 865 CG PRO B 7 6.223 -11.509 2.267 1.00 0.00 C ATOM 866 CD PRO B 7 5.195 -10.446 2.559 1.00 0.00 C ATOM 0 HA PRO B 7 7.889 -9.644 3.833 1.00 0.00 H new ATOM 0 HB2 PRO B 7 7.595 -10.553 0.931 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.361 -11.414 2.252 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.922 -12.115 1.412 1.00 0.00 H new ATOM 0 HG3 PRO B 7 6.332 -12.186 3.114 1.00 0.00 H new ATOM 0 HD2 PRO B 7 4.568 -10.247 1.690 1.00 0.00 H new ATOM 0 HD3 PRO B 7 4.530 -10.746 3.369 1.00 0.00 H new ATOM 874 N ALA B 8 7.590 -7.757 1.202 1.00 0.00 N ATOM 875 CA ALA B 8 8.223 -6.659 0.487 1.00 0.00 C ATOM 876 C ALA B 8 8.429 -5.459 1.402 1.00 0.00 C ATOM 877 O ALA B 8 9.461 -4.793 1.347 1.00 0.00 O ATOM 878 CB ALA B 8 7.393 -6.266 -0.728 1.00 0.00 C ATOM 0 H ALA B 8 6.643 -7.973 0.892 1.00 0.00 H new ATOM 0 HA ALA B 8 9.202 -6.997 0.146 1.00 0.00 H new ATOM 0 HB1 ALA B 8 7.881 -5.444 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.303 -7.120 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.400 -5.952 -0.405 1.00 0.00 H new ATOM 884 N GLN B 9 7.443 -5.195 2.252 1.00 0.00 N ATOM 885 CA GLN B 9 7.524 -4.082 3.186 1.00 0.00 C ATOM 886 C GLN B 9 8.682 -4.288 4.156 1.00 0.00 C ATOM 887 O GLN B 9 9.362 -3.339 4.543 1.00 0.00 O ATOM 888 CB GLN B 9 6.212 -3.936 3.960 1.00 0.00 C ATOM 889 CG GLN B 9 5.157 -3.130 3.223 1.00 0.00 C ATOM 890 CD GLN B 9 3.769 -3.726 3.355 1.00 0.00 C ATOM 891 OE1 GLN B 9 3.498 -4.770 2.580 1.00 0.00 O flip ATOM 892 NE2 GLN B 9 2.952 -3.255 4.143 1.00 0.00 N flip ATOM 0 H GLN B 9 6.581 -5.736 2.312 1.00 0.00 H new ATOM 0 HA GLN B 9 7.698 -3.168 2.618 1.00 0.00 H new ATOM 0 HB2 GLN B 9 5.815 -4.928 4.175 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.417 -3.460 4.919 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.149 -2.111 3.609 1.00 0.00 H new ATOM 0 HG3 GLN B 9 5.423 -3.069 2.168 1.00 0.00 H new ATOM 0 HE21 GLN B 9 3.204 -2.452 4.719 1.00 0.00 H new ATOM 0 HE22 GLN B 9 2.022 -3.667 4.221 1.00 0.00 H new ATOM 901 N GLU B 10 8.902 -5.543 4.537 1.00 0.00 N ATOM 902 CA GLU B 10 9.982 -5.886 5.455 1.00 0.00 C ATOM 903 C GLU B 10 11.338 -5.653 4.799 1.00 0.00 C ATOM 904 O GLU B 10 12.310 -5.300 5.465 1.00 0.00 O ATOM 905 CB GLU B 10 9.856 -7.346 5.895 1.00 0.00 C ATOM 906 CG GLU B 10 10.509 -7.637 7.236 1.00 0.00 C ATOM 907 CD GLU B 10 9.687 -8.584 8.090 1.00 0.00 C ATOM 908 OE1 GLU B 10 8.873 -9.341 7.521 1.00 0.00 O ATOM 909 OE2 GLU B 10 9.858 -8.567 9.327 1.00 0.00 O ATOM 0 H GLU B 10 8.346 -6.339 4.224 1.00 0.00 H new ATOM 0 HA GLU B 10 9.906 -5.243 6.332 1.00 0.00 H new ATOM 0 HB2 GLU B 10 8.800 -7.610 5.950 1.00 0.00 H new ATOM 0 HB3 GLU B 10 10.305 -7.986 5.135 1.00 0.00 H new ATOM 0 HG2 GLU B 10 11.496 -8.067 7.070 1.00 0.00 H new ATOM 0 HG3 GLU B 10 10.656 -6.701 7.775 1.00 0.00 H new ATOM 916 N GLU B 11 11.394 -5.849 3.485 1.00 0.00 N ATOM 917 CA GLU B 11 12.628 -5.654 2.731 1.00 0.00 C ATOM 918 C GLU B 11 12.979 -4.178 2.644 1.00 0.00 C ATOM 919 O GLU B 11 14.128 -3.793 2.865 1.00 0.00 O ATOM 920 CB GLU B 11 12.490 -6.244 1.327 1.00 0.00 C ATOM 921 CG GLU B 11 13.752 -6.120 0.488 1.00 0.00 C ATOM 922 CD GLU B 11 14.850 -7.059 0.944 1.00 0.00 C ATOM 923 OE1 GLU B 11 14.594 -8.278 1.022 1.00 0.00 O ATOM 924 OE2 GLU B 11 15.967 -6.575 1.226 1.00 0.00 O ATOM 0 H GLU B 11 10.598 -6.143 2.920 1.00 0.00 H new ATOM 0 HA GLU B 11 13.433 -6.170 3.255 1.00 0.00 H new ATOM 0 HB2 GLU B 11 12.220 -7.297 1.409 1.00 0.00 H new ATOM 0 HB3 GLU B 11 11.670 -5.744 0.811 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.512 -6.327 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU B 11 14.115 -5.093 0.534 1.00 0.00 H new ATOM 931 N HIS B 12 11.991 -3.343 2.329 1.00 0.00 N ATOM 932 CA HIS B 12 12.232 -1.913 2.229 1.00 0.00 C ATOM 933 C HIS B 12 12.645 -1.348 3.585 1.00 0.00 C ATOM 934 O HIS B 12 13.525 -0.496 3.672 1.00 0.00 O ATOM 935 CB HIS B 12 10.998 -1.161 1.704 1.00 0.00 C ATOM 936 CG HIS B 12 11.264 0.303 1.551 1.00 0.00 C ATOM 937 ND1 HIS B 12 11.331 0.962 0.342 1.00 0.00 N ATOM 938 CD2 HIS B 12 11.617 1.205 2.494 1.00 0.00 C ATOM 939 CE1 HIS B 12 11.740 2.218 0.586 1.00 0.00 C ATOM 940 NE2 HIS B 12 11.926 2.409 1.875 1.00 0.00 N ATOM 0 H HIS B 12 11.030 -3.630 2.142 1.00 0.00 H new ATOM 0 HA HIS B 12 13.042 -1.769 1.514 1.00 0.00 H new ATOM 0 HB2 HIS B 12 10.699 -1.579 0.743 1.00 0.00 H new ATOM 0 HB3 HIS B 12 10.163 -1.309 2.389 1.00 0.00 H new ATOM 0 HD1 HIS B 12 11.110 0.567 -0.572 1.00 0.00 H new ATOM 0 HD2 HIS B 12 11.653 1.019 3.557 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.895 2.970 -0.173 1.00 0.00 H new ATOM 948 N GLU B 13 11.996 -1.815 4.640 1.00 0.00 N ATOM 949 CA GLU B 13 12.293 -1.342 5.987 1.00 0.00 C ATOM 950 C GLU B 13 13.725 -1.682 6.417 1.00 0.00 C ATOM 951 O GLU B 13 14.213 -1.157 7.417 1.00 0.00 O ATOM 952 CB GLU B 13 11.300 -1.945 6.984 1.00 0.00 C ATOM 953 CG GLU B 13 9.962 -1.226 7.013 1.00 0.00 C ATOM 954 CD GLU B 13 9.162 -1.533 8.263 1.00 0.00 C ATOM 955 OE1 GLU B 13 9.771 -1.624 9.349 1.00 0.00 O ATOM 956 OE2 GLU B 13 7.927 -1.682 8.157 1.00 0.00 O ATOM 0 H GLU B 13 11.261 -2.520 4.592 1.00 0.00 H new ATOM 0 HA GLU B 13 12.199 -0.256 5.978 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.136 -2.993 6.733 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.739 -1.921 7.982 1.00 0.00 H new ATOM 0 HG2 GLU B 13 10.130 -0.151 6.949 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.382 -1.511 6.136 1.00 0.00 H new ATOM 963 N LYS B 14 14.393 -2.571 5.679 1.00 0.00 N ATOM 964 CA LYS B 14 15.752 -2.970 6.028 1.00 0.00 C ATOM 965 C LYS B 14 16.811 -2.255 5.183 1.00 0.00 C ATOM 966 O LYS B 14 17.865 -1.881 5.696 1.00 0.00 O ATOM 967 CB LYS B 14 15.904 -4.484 5.882 1.00 0.00 C ATOM 968 CG LYS B 14 16.763 -5.115 6.966 1.00 0.00 C ATOM 969 CD LYS B 14 17.056 -6.576 6.664 1.00 0.00 C ATOM 970 CE LYS B 14 16.042 -7.497 7.320 1.00 0.00 C ATOM 971 NZ LYS B 14 16.302 -7.664 8.777 1.00 0.00 N ATOM 0 H LYS B 14 14.017 -3.023 4.845 1.00 0.00 H new ATOM 0 HA LYS B 14 15.917 -2.677 7.065 1.00 0.00 H new ATOM 0 HB2 LYS B 14 14.916 -4.944 5.899 1.00 0.00 H new ATOM 0 HB3 LYS B 14 16.341 -4.705 4.908 1.00 0.00 H new ATOM 0 HG2 LYS B 14 17.700 -4.566 7.055 1.00 0.00 H new ATOM 0 HG3 LYS B 14 16.255 -5.036 7.927 1.00 0.00 H new ATOM 0 HD2 LYS B 14 17.048 -6.734 5.586 1.00 0.00 H new ATOM 0 HD3 LYS B 14 18.057 -6.827 7.015 1.00 0.00 H new ATOM 0 HE2 LYS B 14 15.039 -7.095 7.174 1.00 0.00 H new ATOM 0 HE3 LYS B 14 16.069 -8.472 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 15.609 -8.326 9.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 17.262 -8.040 8.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 16.218 -6.743 9.252 1.00 0.00 H new ATOM 985 N TYR B 15 16.550 -2.086 3.887 1.00 0.00 N ATOM 986 CA TYR B 15 17.519 -1.437 2.999 1.00 0.00 C ATOM 987 C TYR B 15 16.890 -0.331 2.145 1.00 0.00 C ATOM 988 O TYR B 15 17.451 0.056 1.120 1.00 0.00 O ATOM 989 CB TYR B 15 18.155 -2.478 2.074 1.00 0.00 C ATOM 990 CG TYR B 15 18.561 -3.754 2.775 1.00 0.00 C ATOM 991 CD1 TYR B 15 19.813 -3.871 3.363 1.00 0.00 C ATOM 992 CD2 TYR B 15 17.699 -4.843 2.838 1.00 0.00 C ATOM 993 CE1 TYR B 15 20.196 -5.037 4.001 1.00 0.00 C ATOM 994 CE2 TYR B 15 18.076 -6.012 3.473 1.00 0.00 C ATOM 995 CZ TYR B 15 19.325 -6.104 4.051 1.00 0.00 C ATOM 996 OH TYR B 15 19.702 -7.267 4.681 1.00 0.00 O ATOM 0 H TYR B 15 15.688 -2.385 3.431 1.00 0.00 H new ATOM 0 HA TYR B 15 18.273 -0.976 3.637 1.00 0.00 H new ATOM 0 HB2 TYR B 15 17.451 -2.721 1.278 1.00 0.00 H new ATOM 0 HB3 TYR B 15 19.034 -2.040 1.600 1.00 0.00 H new ATOM 0 HD1 TYR B 15 20.499 -3.038 3.322 1.00 0.00 H new ATOM 0 HD2 TYR B 15 16.721 -4.775 2.385 1.00 0.00 H new ATOM 0 HE1 TYR B 15 21.172 -5.111 4.457 1.00 0.00 H new ATOM 0 HE2 TYR B 15 17.395 -6.849 3.516 1.00 0.00 H new ATOM 0 HH TYR B 15 18.973 -7.919 4.627 1.00 0.00 H new ATOM 1006 N HIS B 16 15.722 0.165 2.556 1.00 0.00 N ATOM 1007 CA HIS B 16 15.001 1.217 1.820 1.00 0.00 C ATOM 1008 C HIS B 16 15.009 0.961 0.309 1.00 0.00 C ATOM 1009 O HIS B 16 15.221 1.876 -0.490 1.00 0.00 O ATOM 1010 CB HIS B 16 15.572 2.603 2.126 1.00 0.00 C ATOM 1011 CG HIS B 16 15.323 3.060 3.533 1.00 0.00 C ATOM 1012 ND1 HIS B 16 14.144 3.673 3.913 1.00 0.00 N ATOM 1013 CD2 HIS B 16 16.137 2.976 4.615 1.00 0.00 C ATOM 1014 CE1 HIS B 16 14.271 3.939 5.200 1.00 0.00 C ATOM 1015 NE2 HIS B 16 15.460 3.536 5.670 1.00 0.00 N ATOM 0 H HIS B 16 15.247 -0.146 3.403 1.00 0.00 H new ATOM 0 HA HIS B 16 13.966 1.188 2.161 1.00 0.00 H new ATOM 0 HB2 HIS B 16 16.646 2.593 1.941 1.00 0.00 H new ATOM 0 HB3 HIS B 16 15.137 3.326 1.436 1.00 0.00 H new ATOM 0 HD1 HIS B 16 13.340 3.878 3.320 1.00 0.00 H new ATOM 0 HD2 HIS B 16 17.129 2.550 4.641 1.00 0.00 H new ATOM 0 HE1 HIS B 16 13.512 4.421 5.799 1.00 0.00 H new ATOM 1023 N SER B 17 14.780 -0.294 -0.065 1.00 0.00 N ATOM 1024 CA SER B 17 14.761 -0.699 -1.469 1.00 0.00 C ATOM 1025 C SER B 17 13.786 0.149 -2.288 1.00 0.00 C ATOM 1026 O SER B 17 12.790 0.647 -1.767 1.00 0.00 O ATOM 1027 CB SER B 17 14.379 -2.177 -1.579 1.00 0.00 C ATOM 1028 OG SER B 17 15.415 -3.010 -1.088 1.00 0.00 O ATOM 0 H SER B 17 14.603 -1.055 0.591 1.00 0.00 H new ATOM 0 HA SER B 17 15.761 -0.545 -1.874 1.00 0.00 H new ATOM 0 HB2 SER B 17 13.463 -2.362 -1.018 1.00 0.00 H new ATOM 0 HB3 SER B 17 14.171 -2.425 -2.620 1.00 0.00 H new ATOM 0 HG SER B 17 15.145 -3.949 -1.168 1.00 0.00 H new ATOM 1034 N ASN B 18 14.084 0.306 -3.573 1.00 0.00 N ATOM 1035 CA ASN B 18 13.241 1.091 -4.466 1.00 0.00 C ATOM 1036 C ASN B 18 12.160 0.222 -5.100 1.00 0.00 C ATOM 1037 O ASN B 18 12.161 -1.000 -4.943 1.00 0.00 O ATOM 1038 CB ASN B 18 14.092 1.745 -5.552 1.00 0.00 C ATOM 1039 CG ASN B 18 15.130 2.689 -4.978 1.00 0.00 C ATOM 1040 OD1 ASN B 18 14.823 3.532 -4.137 1.00 0.00 O ATOM 1041 ND2 ASN B 18 16.371 2.549 -5.432 1.00 0.00 N ATOM 0 H ASN B 18 14.905 -0.101 -4.020 1.00 0.00 H new ATOM 0 HA ASN B 18 12.753 1.868 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN B 18 14.591 0.971 -6.135 1.00 0.00 H new ATOM 0 HB3 ASN B 18 13.445 2.293 -6.237 1.00 0.00 H new ATOM 0 HD21 ASN B 18 17.113 3.155 -5.082 1.00 0.00 H new ATOM 0 HD22 ASN B 18 16.581 1.836 -6.130 1.00 0.00 H new ATOM 1048 N VAL B 19 11.238 0.857 -5.820 1.00 0.00 N ATOM 1049 CA VAL B 19 10.149 0.140 -6.480 1.00 0.00 C ATOM 1050 C VAL B 19 10.687 -0.929 -7.421 1.00 0.00 C ATOM 1051 O VAL B 19 10.295 -2.094 -7.343 1.00 0.00 O ATOM 1052 CB VAL B 19 9.242 1.105 -7.273 1.00 0.00 C ATOM 1053 CG1 VAL B 19 8.041 0.371 -7.855 1.00 0.00 C ATOM 1054 CG2 VAL B 19 8.794 2.267 -6.393 1.00 0.00 C ATOM 0 H VAL B 19 11.223 1.867 -5.961 1.00 0.00 H new ATOM 0 HA VAL B 19 9.560 -0.337 -5.696 1.00 0.00 H new ATOM 0 HB VAL B 19 9.821 1.509 -8.103 1.00 0.00 H new ATOM 0 HG11 VAL B 19 7.418 1.074 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL B 19 8.386 -0.416 -8.526 1.00 0.00 H new ATOM 0 HG13 VAL B 19 7.458 -0.071 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL B 19 8.156 2.936 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL B 19 8.238 1.883 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL B 19 9.668 2.814 -6.040 1.00 0.00 H new ATOM 1064 N LYS B 20 11.590 -0.527 -8.310 1.00 0.00 N ATOM 1065 CA LYS B 20 12.190 -1.454 -9.269 1.00 0.00 C ATOM 1066 C LYS B 20 12.807 -2.658 -8.558 1.00 0.00 C ATOM 1067 O LYS B 20 12.899 -3.747 -9.125 1.00 0.00 O ATOM 1068 CB LYS B 20 13.253 -0.741 -10.107 1.00 0.00 C ATOM 1069 CG LYS B 20 13.350 -1.256 -11.534 1.00 0.00 C ATOM 1070 CD LYS B 20 14.552 -2.171 -11.724 1.00 0.00 C ATOM 1071 CE LYS B 20 14.827 -2.431 -13.196 1.00 0.00 C ATOM 1072 NZ LYS B 20 15.499 -3.741 -13.414 1.00 0.00 N ATOM 0 H LYS B 20 11.924 0.434 -8.388 1.00 0.00 H new ATOM 0 HA LYS B 20 11.399 -1.813 -9.928 1.00 0.00 H new ATOM 0 HB2 LYS B 20 13.031 0.326 -10.129 1.00 0.00 H new ATOM 0 HB3 LYS B 20 14.222 -0.855 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS B 20 12.438 -1.796 -11.788 1.00 0.00 H new ATOM 0 HG3 LYS B 20 13.423 -0.413 -12.221 1.00 0.00 H new ATOM 0 HD2 LYS B 20 15.431 -1.720 -11.263 1.00 0.00 H new ATOM 0 HD3 LYS B 20 14.374 -3.117 -11.213 1.00 0.00 H new ATOM 0 HE2 LYS B 20 13.888 -2.408 -13.750 1.00 0.00 H new ATOM 0 HE3 LYS B 20 15.452 -1.632 -13.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 15.668 -3.879 -14.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 16.407 -3.754 -12.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 14.892 -4.506 -13.057 1.00 0.00 H new ATOM 1086 N GLU B 21 13.220 -2.457 -7.311 1.00 0.00 N ATOM 1087 CA GLU B 21 13.816 -3.526 -6.521 1.00 0.00 C ATOM 1088 C GLU B 21 12.731 -4.429 -5.943 1.00 0.00 C ATOM 1089 O GLU B 21 12.818 -5.654 -6.031 1.00 0.00 O ATOM 1090 CB GLU B 21 14.666 -2.943 -5.393 1.00 0.00 C ATOM 1091 CG GLU B 21 15.801 -3.855 -4.956 1.00 0.00 C ATOM 1092 CD GLU B 21 17.095 -3.570 -5.697 1.00 0.00 C ATOM 1093 OE1 GLU B 21 17.221 -2.467 -6.270 1.00 0.00 O ATOM 1094 OE2 GLU B 21 17.980 -4.451 -5.703 1.00 0.00 O ATOM 0 H GLU B 21 13.152 -1.562 -6.826 1.00 0.00 H new ATOM 0 HA GLU B 21 14.456 -4.120 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU B 21 15.081 -1.989 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU B 21 14.026 -2.737 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU B 21 15.966 -3.737 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.513 -4.893 -5.121 1.00 0.00 H new ATOM 1101 N LEU B 22 11.703 -3.816 -5.362 1.00 0.00 N ATOM 1102 CA LEU B 22 10.596 -4.569 -4.782 1.00 0.00 C ATOM 1103 C LEU B 22 9.820 -5.308 -5.868 1.00 0.00 C ATOM 1104 O LEU B 22 9.300 -6.399 -5.638 1.00 0.00 O ATOM 1105 CB LEU B 22 9.645 -3.638 -4.018 1.00 0.00 C ATOM 1106 CG LEU B 22 10.081 -3.242 -2.600 1.00 0.00 C ATOM 1107 CD1 LEU B 22 10.507 -4.463 -1.800 1.00 0.00 C ATOM 1108 CD2 LEU B 22 11.201 -2.216 -2.650 1.00 0.00 C ATOM 0 H LEU B 22 11.614 -2.803 -5.281 1.00 0.00 H new ATOM 0 HA LEU B 22 11.017 -5.295 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.513 -2.728 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU B 22 8.670 -4.121 -3.955 1.00 0.00 H new ATOM 0 HG LEU B 22 9.225 -2.792 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.811 -4.155 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.672 -5.160 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.344 -4.951 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.495 -1.949 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.057 -2.637 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.855 -1.325 -3.174 1.00 0.00 H new ATOM 1120 N SER B 23 9.741 -4.699 -7.050 1.00 0.00 N ATOM 1121 CA SER B 23 9.017 -5.295 -8.168 1.00 0.00 C ATOM 1122 C SER B 23 9.819 -6.417 -8.824 1.00 0.00 C ATOM 1123 O SER B 23 9.257 -7.432 -9.237 1.00 0.00 O ATOM 1124 CB SER B 23 8.682 -4.223 -9.209 1.00 0.00 C ATOM 1125 OG SER B 23 8.293 -4.808 -10.438 1.00 0.00 O ATOM 0 H SER B 23 10.168 -3.796 -7.256 1.00 0.00 H new ATOM 0 HA SER B 23 8.096 -5.724 -7.774 1.00 0.00 H new ATOM 0 HB2 SER B 23 7.879 -3.588 -8.835 1.00 0.00 H new ATOM 0 HB3 SER B 23 9.549 -3.582 -9.367 1.00 0.00 H new ATOM 0 HG SER B 23 7.418 -5.237 -10.334 1.00 0.00 H new ATOM 1131 N HIS B 24 11.129 -6.228 -8.926 1.00 0.00 N ATOM 1132 CA HIS B 24 11.995 -7.225 -9.543 1.00 0.00 C ATOM 1133 C HIS B 24 12.305 -8.363 -8.572 1.00 0.00 C ATOM 1134 O HIS B 24 12.533 -9.499 -8.989 1.00 0.00 O ATOM 1135 CB HIS B 24 13.293 -6.566 -10.021 1.00 0.00 C ATOM 1136 CG HIS B 24 14.268 -7.518 -10.645 1.00 0.00 C ATOM 1137 ND1 HIS B 24 13.965 -8.207 -11.795 1.00 0.00 N ATOM 1138 CD2 HIS B 24 15.516 -7.851 -10.242 1.00 0.00 C ATOM 1139 CE1 HIS B 24 15.029 -8.941 -12.067 1.00 0.00 C ATOM 1140 NE2 HIS B 24 15.996 -8.759 -11.153 1.00 0.00 N ATOM 0 H HIS B 24 11.614 -5.396 -8.590 1.00 0.00 H new ATOM 0 HA HIS B 24 11.472 -7.649 -10.400 1.00 0.00 H new ATOM 0 HB2 HIS B 24 13.048 -5.788 -10.744 1.00 0.00 H new ATOM 0 HB3 HIS B 24 13.772 -6.075 -9.174 1.00 0.00 H new ATOM 0 HD2 HIS B 24 16.034 -7.475 -9.372 1.00 0.00 H new ATOM 0 HE1 HIS B 24 15.111 -9.603 -12.916 1.00 0.00 H new ATOM 0 HE2 HIS B 24 16.911 -9.209 -11.138 1.00 0.00 H new ATOM 1148 N LYS B 25 12.318 -8.055 -7.279 1.00 0.00 N ATOM 1149 CA LYS B 25 12.603 -9.061 -6.263 1.00 0.00 C ATOM 1150 C LYS B 25 11.373 -9.912 -5.961 1.00 0.00 C ATOM 1151 O LYS B 25 11.412 -11.137 -6.076 1.00 0.00 O ATOM 1152 CB LYS B 25 13.104 -8.398 -4.981 1.00 0.00 C ATOM 1153 CG LYS B 25 13.927 -9.329 -4.101 1.00 0.00 C ATOM 1154 CD LYS B 25 13.538 -9.213 -2.635 1.00 0.00 C ATOM 1155 CE LYS B 25 14.297 -10.212 -1.777 1.00 0.00 C ATOM 1156 NZ LYS B 25 15.747 -9.888 -1.699 1.00 0.00 N ATOM 0 H LYS B 25 12.135 -7.121 -6.912 1.00 0.00 H new ATOM 0 HA LYS B 25 13.381 -9.715 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS B 25 13.708 -7.529 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.249 -8.033 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS B 25 13.790 -10.358 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS B 25 14.986 -9.096 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS B 25 13.740 -8.202 -2.283 1.00 0.00 H new ATOM 0 HD3 LYS B 25 12.466 -9.380 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS B 25 13.873 -10.224 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS B 25 14.170 -11.214 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 16.211 -10.531 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 16.179 -10.001 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 15.867 -8.906 -1.379 1.00 0.00 H new ATOM 1170 N PHE B 26 10.285 -9.257 -5.566 1.00 0.00 N ATOM 1171 CA PHE B 26 9.048 -9.960 -5.237 1.00 0.00 C ATOM 1172 C PHE B 26 8.116 -10.084 -6.446 1.00 0.00 C ATOM 1173 O PHE B 26 6.957 -10.471 -6.301 1.00 0.00 O ATOM 1174 CB PHE B 26 8.332 -9.244 -4.092 1.00 0.00 C ATOM 1175 CG PHE B 26 9.186 -9.096 -2.867 1.00 0.00 C ATOM 1176 CD1 PHE B 26 9.199 -10.080 -1.891 1.00 0.00 C ATOM 1177 CD2 PHE B 26 9.983 -7.976 -2.693 1.00 0.00 C ATOM 1178 CE1 PHE B 26 9.990 -9.951 -0.767 1.00 0.00 C ATOM 1179 CE2 PHE B 26 10.775 -7.840 -1.569 1.00 0.00 C ATOM 1180 CZ PHE B 26 10.779 -8.828 -0.605 1.00 0.00 C ATOM 0 H PHE B 26 10.234 -8.243 -5.466 1.00 0.00 H new ATOM 0 HA PHE B 26 9.315 -10.971 -4.928 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.016 -8.257 -4.429 1.00 0.00 H new ATOM 0 HB3 PHE B 26 7.429 -9.797 -3.834 1.00 0.00 H new ATOM 0 HD1 PHE B 26 8.583 -10.959 -2.011 1.00 0.00 H new ATOM 0 HD2 PHE B 26 9.985 -7.200 -3.445 1.00 0.00 H new ATOM 0 HE1 PHE B 26 9.992 -10.727 -0.015 1.00 0.00 H new ATOM 0 HE2 PHE B 26 11.391 -6.961 -1.445 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.398 -8.724 0.274 1.00 0.00 H new ATOM 1190 N GLY B 27 8.623 -9.768 -7.640 1.00 0.00 N ATOM 1191 CA GLY B 27 7.815 -9.868 -8.846 1.00 0.00 C ATOM 1192 C GLY B 27 6.478 -9.152 -8.742 1.00 0.00 C ATOM 1193 O GLY B 27 5.484 -9.603 -9.314 1.00 0.00 O ATOM 0 H GLY B 27 9.578 -9.445 -7.792 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.375 -9.454 -9.684 1.00 0.00 H new ATOM 0 HA3 GLY B 27 7.638 -10.920 -9.069 1.00 0.00 H new ATOM 1197 N ILE B 28 6.449 -8.037 -8.021 1.00 0.00 N ATOM 1198 CA ILE B 28 5.218 -7.272 -7.863 1.00 0.00 C ATOM 1199 C ILE B 28 5.197 -6.059 -8.793 1.00 0.00 C ATOM 1200 O ILE B 28 6.239 -5.462 -9.061 1.00 0.00 O ATOM 1201 CB ILE B 28 5.025 -6.792 -6.410 1.00 0.00 C ATOM 1202 CG1 ILE B 28 6.249 -6.007 -5.937 1.00 0.00 C ATOM 1203 CG2 ILE B 28 4.759 -7.973 -5.492 1.00 0.00 C ATOM 1204 CD1 ILE B 28 6.057 -5.343 -4.591 1.00 0.00 C ATOM 0 H ILE B 28 7.258 -7.645 -7.540 1.00 0.00 H new ATOM 0 HA ILE B 28 4.401 -7.944 -8.124 1.00 0.00 H new ATOM 0 HB ILE B 28 4.160 -6.129 -6.377 1.00 0.00 H new ATOM 0 HG12 ILE B 28 7.104 -6.681 -5.882 1.00 0.00 H new ATOM 0 HG13 ILE B 28 6.491 -5.245 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE B 28 4.625 -7.617 -4.471 1.00 0.00 H new ATOM 0 HG22 ILE B 28 3.856 -8.490 -5.817 1.00 0.00 H new ATOM 0 HG23 ILE B 28 5.604 -8.660 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.964 -4.804 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE B 28 5.223 -4.644 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.845 -6.102 -3.838 1.00 0.00 H new ATOM 1216 N PRO B 29 4.008 -5.672 -9.303 1.00 0.00 N ATOM 1217 CA PRO B 29 3.881 -4.521 -10.204 1.00 0.00 C ATOM 1218 C PRO B 29 4.376 -3.231 -9.561 1.00 0.00 C ATOM 1219 O PRO B 29 4.473 -3.134 -8.339 1.00 0.00 O ATOM 1220 CB PRO B 29 2.375 -4.434 -10.480 1.00 0.00 C ATOM 1221 CG PRO B 29 1.840 -5.785 -10.155 1.00 0.00 C ATOM 1222 CD PRO B 29 2.703 -6.315 -9.047 1.00 0.00 C ATOM 0 HA PRO B 29 4.482 -4.646 -11.105 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.906 -3.666 -9.865 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.180 -4.173 -11.520 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.797 -5.727 -9.844 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.877 -6.439 -11.026 1.00 0.00 H new ATOM 0 HD2 PRO B 29 2.308 -6.050 -8.066 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.776 -7.402 -9.078 1.00 0.00 H new ATOM 1230 N ASN B 30 4.685 -2.240 -10.392 1.00 0.00 N ATOM 1231 CA ASN B 30 5.165 -0.952 -9.901 1.00 0.00 C ATOM 1232 C ASN B 30 4.148 -0.313 -8.961 1.00 0.00 C ATOM 1233 O ASN B 30 4.511 0.428 -8.047 1.00 0.00 O ATOM 1234 CB ASN B 30 5.457 -0.011 -11.071 1.00 0.00 C ATOM 1235 CG ASN B 30 6.674 -0.436 -11.870 1.00 0.00 C ATOM 1236 OD1 ASN B 30 6.670 -1.480 -12.520 1.00 0.00 O ATOM 1237 ND2 ASN B 30 7.723 0.378 -11.823 1.00 0.00 N ATOM 0 H ASN B 30 4.612 -2.304 -11.407 1.00 0.00 H new ATOM 0 HA ASN B 30 6.087 -1.126 -9.346 1.00 0.00 H new ATOM 0 HB2 ASN B 30 4.589 0.025 -11.729 1.00 0.00 H new ATOM 0 HB3 ASN B 30 5.611 0.999 -10.691 1.00 0.00 H new ATOM 0 HD21 ASN B 30 8.571 0.147 -12.340 1.00 0.00 H new ATOM 0 HD22 ASN B 30 7.680 1.234 -11.270 1.00 0.00 H new ATOM 1244 N LEU B 31 2.870 -0.602 -9.193 1.00 0.00 N ATOM 1245 CA LEU B 31 1.796 -0.058 -8.368 1.00 0.00 C ATOM 1246 C LEU B 31 1.971 -0.461 -6.908 1.00 0.00 C ATOM 1247 O LEU B 31 2.093 0.390 -6.028 1.00 0.00 O ATOM 1248 CB LEU B 31 0.438 -0.541 -8.879 1.00 0.00 C ATOM 1249 CG LEU B 31 -0.771 -0.084 -8.053 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -1.444 1.113 -8.704 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -1.766 -1.225 -7.874 1.00 0.00 C ATOM 0 H LEU B 31 2.553 -1.211 -9.947 1.00 0.00 H new ATOM 0 HA LEU B 31 1.839 1.029 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU B 31 0.309 -0.194 -9.904 1.00 0.00 H new ATOM 0 HB3 LEU B 31 0.446 -1.631 -8.910 1.00 0.00 H new ATOM 0 HG LEU B 31 -0.414 0.216 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -2.299 1.421 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -0.733 1.937 -8.774 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -1.783 0.841 -9.704 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -2.615 -0.878 -7.285 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -2.114 -1.561 -8.851 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -1.281 -2.053 -7.358 1.00 0.00 H new ATOM 1263 N VAL B 32 1.987 -1.767 -6.659 1.00 0.00 N ATOM 1264 CA VAL B 32 2.150 -2.285 -5.306 1.00 0.00 C ATOM 1265 C VAL B 32 3.465 -1.800 -4.697 1.00 0.00 C ATOM 1266 O VAL B 32 3.500 -1.325 -3.563 1.00 0.00 O ATOM 1267 CB VAL B 32 2.122 -3.828 -5.282 1.00 0.00 C ATOM 1268 CG1 VAL B 32 2.148 -4.347 -3.853 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.901 -4.355 -6.026 1.00 0.00 C ATOM 0 H VAL B 32 1.889 -2.485 -7.377 1.00 0.00 H new ATOM 0 HA VAL B 32 1.313 -1.910 -4.717 1.00 0.00 H new ATOM 0 HB VAL B 32 3.015 -4.192 -5.790 1.00 0.00 H new ATOM 0 HG11 VAL B 32 2.128 -5.437 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL B 32 3.057 -4.005 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL B 32 1.278 -3.972 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL B 32 0.900 -5.445 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.005 -3.979 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.934 -4.019 -7.062 1.00 0.00 H new ATOM 1279 N ALA B 33 4.543 -1.923 -5.465 1.00 0.00 N ATOM 1280 CA ALA B 33 5.861 -1.496 -5.011 1.00 0.00 C ATOM 1281 C ALA B 33 5.871 -0.014 -4.651 1.00 0.00 C ATOM 1282 O ALA B 33 6.566 0.404 -3.723 1.00 0.00 O ATOM 1283 CB ALA B 33 6.901 -1.784 -6.080 1.00 0.00 C ATOM 0 H ALA B 33 4.529 -2.316 -6.406 1.00 0.00 H new ATOM 0 HA ALA B 33 6.107 -2.061 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.881 -1.461 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.924 -2.854 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA B 33 6.645 -1.244 -6.992 1.00 0.00 H new ATOM 1289 N ARG B 34 5.101 0.783 -5.388 1.00 0.00 N ATOM 1290 CA ARG B 34 5.032 2.218 -5.140 1.00 0.00 C ATOM 1291 C ARG B 34 4.440 2.506 -3.763 1.00 0.00 C ATOM 1292 O ARG B 34 4.910 3.388 -3.046 1.00 0.00 O ATOM 1293 CB ARG B 34 4.195 2.905 -6.224 1.00 0.00 C ATOM 1294 CG ARG B 34 5.025 3.491 -7.356 1.00 0.00 C ATOM 1295 CD ARG B 34 4.159 4.251 -8.345 1.00 0.00 C ATOM 1296 NE ARG B 34 4.958 4.947 -9.353 1.00 0.00 N ATOM 1297 CZ ARG B 34 4.468 5.417 -10.501 1.00 0.00 C ATOM 1298 NH1 ARG B 34 3.179 5.275 -10.797 1.00 0.00 N ATOM 1299 NH2 ARG B 34 5.269 6.036 -11.357 1.00 0.00 N ATOM 0 H ARG B 34 4.518 0.459 -6.160 1.00 0.00 H new ATOM 0 HA ARG B 34 6.047 2.615 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG B 34 3.490 2.184 -6.638 1.00 0.00 H new ATOM 0 HB3 ARG B 34 3.607 3.701 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG B 34 5.782 4.159 -6.945 1.00 0.00 H new ATOM 0 HG3 ARG B 34 5.553 2.690 -7.874 1.00 0.00 H new ATOM 0 HD2 ARG B 34 3.478 3.557 -8.838 1.00 0.00 H new ATOM 0 HD3 ARG B 34 3.544 4.973 -7.808 1.00 0.00 H new ATOM 0 HE ARG B 34 5.952 5.081 -9.166 1.00 0.00 H new ATOM 0 HH11 ARG B 34 2.555 4.803 -10.143 1.00 0.00 H new ATOM 0 HH12 ARG B 34 2.815 5.638 -11.678 1.00 0.00 H new ATOM 0 HH21 ARG B 34 6.258 6.152 -11.137 1.00 0.00 H new ATOM 0 HH22 ARG B 34 4.896 6.396 -12.235 1.00 0.00 H new ATOM 1313 N GLN B 35 3.405 1.754 -3.400 1.00 0.00 N ATOM 1314 CA GLN B 35 2.750 1.929 -2.111 1.00 0.00 C ATOM 1315 C GLN B 35 3.727 1.681 -0.967 1.00 0.00 C ATOM 1316 O GLN B 35 3.648 2.325 0.079 1.00 0.00 O ATOM 1317 CB GLN B 35 1.552 0.985 -1.993 1.00 0.00 C ATOM 1318 CG GLN B 35 0.477 1.237 -3.037 1.00 0.00 C ATOM 1319 CD GLN B 35 -0.259 -0.027 -3.435 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -0.556 -0.243 -4.609 1.00 0.00 O ATOM 1321 NE2 GLN B 35 -0.560 -0.871 -2.454 1.00 0.00 N ATOM 0 H GLN B 35 3.003 1.018 -3.981 1.00 0.00 H new ATOM 0 HA GLN B 35 2.398 2.959 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN B 35 1.900 -0.044 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN B 35 1.114 1.088 -1.000 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -0.238 1.962 -2.649 1.00 0.00 H new ATOM 0 HG3 GLN B 35 0.933 1.681 -3.922 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -0.295 -0.652 -1.494 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -1.056 -1.738 -2.661 1.00 0.00 H new ATOM 1330 N ILE B 36 4.652 0.749 -1.174 1.00 0.00 N ATOM 1331 CA ILE B 36 5.647 0.425 -0.160 1.00 0.00 C ATOM 1332 C ILE B 36 6.578 1.609 0.078 1.00 0.00 C ATOM 1333 O ILE B 36 6.702 2.099 1.201 1.00 0.00 O ATOM 1334 CB ILE B 36 6.481 -0.811 -0.562 1.00 0.00 C ATOM 1335 CG1 ILE B 36 5.559 -1.985 -0.901 1.00 0.00 C ATOM 1336 CG2 ILE B 36 7.444 -1.197 0.554 1.00 0.00 C ATOM 1337 CD1 ILE B 36 6.298 -3.221 -1.368 1.00 0.00 C ATOM 0 H ILE B 36 4.733 0.206 -2.034 1.00 0.00 H new ATOM 0 HA ILE B 36 5.109 0.197 0.760 1.00 0.00 H new ATOM 0 HB ILE B 36 7.066 -0.559 -1.446 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.967 -2.237 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.860 -1.675 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE B 36 8.022 -2.070 0.250 1.00 0.00 H new ATOM 0 HG22 ILE B 36 8.120 -0.366 0.755 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.880 -1.432 1.457 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.581 -4.011 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE B 36 6.869 -2.986 -2.266 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.977 -3.557 -0.584 1.00 0.00 H new ATOM 1349 N VAL B 37 7.226 2.070 -0.986 1.00 0.00 N ATOM 1350 CA VAL B 37 8.138 3.201 -0.892 1.00 0.00 C ATOM 1351 C VAL B 37 7.390 4.463 -0.479 1.00 0.00 C ATOM 1352 O VAL B 37 7.885 5.261 0.314 1.00 0.00 O ATOM 1353 CB VAL B 37 8.858 3.455 -2.232 1.00 0.00 C ATOM 1354 CG1 VAL B 37 9.906 4.549 -2.083 1.00 0.00 C ATOM 1355 CG2 VAL B 37 9.489 2.172 -2.748 1.00 0.00 C ATOM 0 H VAL B 37 7.136 1.677 -1.923 1.00 0.00 H new ATOM 0 HA VAL B 37 8.882 2.954 -0.134 1.00 0.00 H new ATOM 0 HB VAL B 37 8.119 3.791 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL B 37 10.401 4.711 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL B 37 9.425 5.473 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL B 37 10.644 4.247 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL B 37 9.993 2.369 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL B 37 10.213 1.805 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL B 37 8.714 1.421 -2.899 1.00 0.00 H new ATOM 1365 N ASN B 38 6.190 4.634 -1.025 1.00 0.00 N ATOM 1366 CA ASN B 38 5.367 5.797 -0.718 1.00 0.00 C ATOM 1367 C ASN B 38 5.006 5.830 0.765 1.00 0.00 C ATOM 1368 O ASN B 38 4.875 6.902 1.357 1.00 0.00 O ATOM 1369 CB ASN B 38 4.094 5.786 -1.565 1.00 0.00 C ATOM 1370 CG ASN B 38 4.368 6.106 -3.022 1.00 0.00 C ATOM 1371 OD1 ASN B 38 5.514 6.090 -3.468 1.00 0.00 O ATOM 1372 ND2 ASN B 38 3.311 6.398 -3.770 1.00 0.00 N ATOM 0 H ASN B 38 5.766 3.980 -1.683 1.00 0.00 H new ATOM 0 HA ASN B 38 5.943 6.692 -0.954 1.00 0.00 H new ATOM 0 HB2 ASN B 38 3.621 4.806 -1.493 1.00 0.00 H new ATOM 0 HB3 ASN B 38 3.387 6.511 -1.163 1.00 0.00 H new ATOM 0 HD21 ASN B 38 3.431 6.621 -4.758 1.00 0.00 H new ATOM 0 HD22 ASN B 38 2.378 6.399 -3.357 1.00 0.00 H new ATOM 1379 N SER B 39 4.846 4.651 1.358 1.00 0.00 N ATOM 1380 CA SER B 39 4.502 4.550 2.771 1.00 0.00 C ATOM 1381 C SER B 39 5.669 4.990 3.648 1.00 0.00 C ATOM 1382 O SER B 39 5.471 5.500 4.752 1.00 0.00 O ATOM 1383 CB SER B 39 4.100 3.115 3.119 1.00 0.00 C ATOM 1384 OG SER B 39 3.381 3.068 4.338 1.00 0.00 O ATOM 0 H SER B 39 4.949 3.754 0.883 1.00 0.00 H new ATOM 0 HA SER B 39 3.658 5.213 2.961 1.00 0.00 H new ATOM 0 HB2 SER B 39 3.489 2.701 2.317 1.00 0.00 H new ATOM 0 HB3 SER B 39 4.992 2.493 3.195 1.00 0.00 H new ATOM 0 HG SER B 39 3.135 2.141 4.537 1.00 0.00 H new ATOM 1390 N CYS B 40 6.888 4.792 3.152 1.00 0.00 N ATOM 1391 CA CYS B 40 8.085 5.168 3.894 1.00 0.00 C ATOM 1392 C CYS B 40 8.182 6.684 4.044 1.00 0.00 C ATOM 1393 O CYS B 40 8.070 7.424 3.066 1.00 0.00 O ATOM 1394 CB CYS B 40 9.335 4.636 3.191 1.00 0.00 C ATOM 1395 SG CYS B 40 10.867 4.926 4.102 1.00 0.00 S ATOM 0 H CYS B 40 7.071 4.374 2.240 1.00 0.00 H new ATOM 0 HA CYS B 40 8.017 4.726 4.888 1.00 0.00 H new ATOM 0 HB2 CYS B 40 9.219 3.565 3.026 1.00 0.00 H new ATOM 0 HB3 CYS B 40 9.414 5.103 2.209 1.00 0.00 H new ATOM 0 HG CYS B 40 11.824 5.199 3.266 1.00 0.00 H new ATOM 1400 N ALA B 41 8.392 7.141 5.275 1.00 0.00 N ATOM 1401 CA ALA B 41 8.504 8.568 5.555 1.00 0.00 C ATOM 1402 C ALA B 41 9.894 9.089 5.207 1.00 0.00 C ATOM 1403 O ALA B 41 10.035 10.117 4.543 1.00 0.00 O ATOM 1404 CB ALA B 41 8.185 8.845 7.016 1.00 0.00 C ATOM 0 H ALA B 41 8.488 6.542 6.095 1.00 0.00 H new ATOM 0 HA ALA B 41 7.782 9.093 4.930 1.00 0.00 H new ATOM 0 HB1 ALA B 41 8.272 9.914 7.211 1.00 0.00 H new ATOM 0 HB2 ALA B 41 7.168 8.518 7.235 1.00 0.00 H new ATOM 0 HB3 ALA B 41 8.885 8.302 7.651 1.00 0.00 H new ATOM 1410 N GLN B 42 10.921 8.372 5.658 1.00 0.00 N ATOM 1411 CA GLN B 42 12.307 8.758 5.394 1.00 0.00 C ATOM 1412 C GLN B 42 12.565 8.898 3.896 1.00 0.00 C ATOM 1413 O GLN B 42 13.402 9.692 3.471 1.00 0.00 O ATOM 1414 CB GLN B 42 13.263 7.725 5.990 1.00 0.00 C ATOM 1415 CG GLN B 42 14.731 8.093 5.834 1.00 0.00 C ATOM 1416 CD GLN B 42 15.292 8.781 7.064 1.00 0.00 C ATOM 1417 OE1 GLN B 42 14.916 8.464 8.193 1.00 0.00 O ATOM 1418 NE2 GLN B 42 16.198 9.728 6.850 1.00 0.00 N ATOM 0 H GLN B 42 10.820 7.519 6.209 1.00 0.00 H new ATOM 0 HA GLN B 42 12.482 9.726 5.863 1.00 0.00 H new ATOM 0 HB2 GLN B 42 13.038 7.603 7.050 1.00 0.00 H new ATOM 0 HB3 GLN B 42 13.086 6.761 5.513 1.00 0.00 H new ATOM 0 HG2 GLN B 42 15.309 7.191 5.631 1.00 0.00 H new ATOM 0 HG3 GLN B 42 14.848 8.748 4.970 1.00 0.00 H new ATOM 0 HE21 GLN B 42 16.480 9.958 5.897 1.00 0.00 H new ATOM 0 HE22 GLN B 42 16.612 10.225 7.638 1.00 0.00 H new ATOM 1427 N CYS B 43 11.836 8.120 3.102 1.00 0.00 N ATOM 1428 CA CYS B 43 11.981 8.155 1.653 1.00 0.00 C ATOM 1429 C CYS B 43 11.034 9.175 1.032 1.00 0.00 C ATOM 1430 O CYS B 43 11.333 9.760 -0.011 1.00 0.00 O ATOM 1431 CB CYS B 43 11.720 6.766 1.062 1.00 0.00 C ATOM 1432 SG CYS B 43 13.128 5.639 1.176 1.00 0.00 S ATOM 0 H CYS B 43 11.138 7.457 3.439 1.00 0.00 H new ATOM 0 HA CYS B 43 13.003 8.455 1.422 1.00 0.00 H new ATOM 0 HB2 CYS B 43 10.868 6.319 1.575 1.00 0.00 H new ATOM 0 HB3 CYS B 43 11.440 6.876 0.014 1.00 0.00 H new ATOM 0 HG CYS B 43 12.713 4.462 1.540 1.00 0.00 H new ATOM 1437 N GLN B 44 9.893 9.392 1.679 1.00 0.00 N ATOM 1438 CA GLN B 44 8.909 10.347 1.188 1.00 0.00 C ATOM 1439 C GLN B 44 9.479 11.764 1.197 1.00 0.00 C ATOM 1440 O GLN B 44 9.492 12.445 0.170 1.00 0.00 O ATOM 1441 CB GLN B 44 7.635 10.282 2.040 1.00 0.00 C ATOM 1442 CG GLN B 44 6.523 9.464 1.408 1.00 0.00 C ATOM 1443 CD GLN B 44 5.209 9.597 2.151 1.00 0.00 C ATOM 1444 OE1 GLN B 44 4.188 9.968 1.569 1.00 0.00 O ATOM 1445 NE2 GLN B 44 5.228 9.300 3.446 1.00 0.00 N ATOM 0 H GLN B 44 9.628 8.919 2.543 1.00 0.00 H new ATOM 0 HA GLN B 44 8.659 10.084 0.160 1.00 0.00 H new ATOM 0 HB2 GLN B 44 7.880 9.856 3.013 1.00 0.00 H new ATOM 0 HB3 GLN B 44 7.274 11.295 2.217 1.00 0.00 H new ATOM 0 HG2 GLN B 44 6.386 9.781 0.374 1.00 0.00 H new ATOM 0 HG3 GLN B 44 6.818 8.415 1.383 1.00 0.00 H new ATOM 0 HE21 GLN B 44 6.096 8.997 3.887 1.00 0.00 H new ATOM 0 HE22 GLN B 44 4.374 9.375 3.999 1.00 0.00 H new