USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 ASN : amide:sc= -0.102 K(o=0.2,f=-2!) USER MOD Set 1.2: A 108 SER OG : rot -65:sc= 0.3 USER MOD Set 2.1: A 76 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 78 ASN : amide:sc= 1.1 K(o=2.3,f=-2.1) USER MOD Set 3.1: A 52 SER OG : rot 69:sc= -0.459 USER MOD Set 3.2: A 59 MET CE :methyl 142:sc= -2.66! (180deg=-0.782) USER MOD Set 4.1: A 56 ASN : amide:sc= 1.45 K(o=2,f=-2.1) USER MOD Set 4.2: A 105 SER OG : rot 137:sc= 0.581 USER MOD Set 5.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 111 SER OG : rot 175:sc= -1.11 USER MOD Single : A 20 THR OG1 : rot -106:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -58:sc= 0.191 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : +bothHN:sc= -0.798! C(o=-0.8!,f=-12!) USER MOD Single : A 54 ASN : amide:sc= -0.0957 K(o=-0.096,f=-1.7) USER MOD Single : A 60 THR OG1 : rot 40:sc= -0.883 USER MOD Single : A 66 ASN : amide:sc= -6.29! C(o=-6.3!,f=-17!) USER MOD Single : A 70 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -119:sc= 0.59 (180deg=-0.00753) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 99 LYS NZ :NH3+ -127:sc= 2.77 (180deg=-0.329) USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= 1.16 (180deg=0.979) USER MOD Single : A 103 ASN : amide:sc= 1.28 K(o=1.3,f=-0.038) USER MOD Single : A 104 SER OG : rot 34:sc= 0.283 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc=-0.00152 K(o=-0.0015,f=-1) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -5.554 -8.450 0.200 1.00 0.00 N ATOM 92 CA ALA A 19 -4.738 -8.064 -0.937 1.00 0.00 C ATOM 93 C ALA A 19 -3.271 -7.986 -0.539 1.00 0.00 C ATOM 94 O ALA A 19 -2.752 -6.910 -0.239 1.00 0.00 O ATOM 95 CB ALA A 19 -5.217 -6.735 -1.503 1.00 0.00 C ATOM 0 HA ALA A 19 -4.838 -8.823 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.596 -6.458 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.254 -6.829 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.144 -5.965 -0.735 1.00 0.00 H new ATOM 101 N THR A 20 -2.614 -9.138 -0.520 1.00 0.00 N ATOM 102 CA THR A 20 -1.201 -9.206 -0.205 1.00 0.00 C ATOM 103 C THR A 20 -0.358 -8.963 -1.454 1.00 0.00 C ATOM 104 O THR A 20 -0.188 -9.850 -2.296 1.00 0.00 O ATOM 105 CB THR A 20 -0.828 -10.563 0.422 1.00 0.00 C ATOM 106 OG1 THR A 20 -1.593 -10.772 1.619 1.00 0.00 O ATOM 107 CG2 THR A 20 0.657 -10.626 0.750 1.00 0.00 C ATOM 0 H THR A 20 -3.044 -10.041 -0.721 1.00 0.00 H new ATOM 0 HA THR A 20 -0.992 -8.423 0.524 1.00 0.00 H new ATOM 0 HB THR A 20 -1.054 -11.346 -0.302 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.017 -10.646 2.402 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.891 -11.595 1.191 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.237 -10.493 -0.163 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.907 -9.835 1.457 1.00 0.00 H new ATOM 115 N TYR A 21 0.150 -7.748 -1.573 1.00 0.00 N ATOM 116 CA TYR A 21 1.010 -7.378 -2.684 1.00 0.00 C ATOM 117 C TYR A 21 2.450 -7.758 -2.372 1.00 0.00 C ATOM 118 O TYR A 21 3.192 -6.980 -1.773 1.00 0.00 O ATOM 119 CB TYR A 21 0.918 -5.876 -2.959 1.00 0.00 C ATOM 120 CG TYR A 21 -0.496 -5.353 -3.083 1.00 0.00 C ATOM 121 CD1 TYR A 21 -1.296 -5.701 -4.166 1.00 0.00 C ATOM 122 CD2 TYR A 21 -1.025 -4.499 -2.123 1.00 0.00 C ATOM 123 CE1 TYR A 21 -2.583 -5.214 -4.286 1.00 0.00 C ATOM 124 CE2 TYR A 21 -2.311 -4.007 -2.237 1.00 0.00 C ATOM 125 CZ TYR A 21 -3.085 -4.366 -3.319 1.00 0.00 C ATOM 126 OH TYR A 21 -4.365 -3.875 -3.437 1.00 0.00 O ATOM 0 H TYR A 21 -0.021 -6.995 -0.907 1.00 0.00 H new ATOM 0 HA TYR A 21 0.679 -7.915 -3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.423 -5.339 -2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.458 -5.653 -3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.905 -6.362 -4.925 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.421 -4.215 -1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.193 -5.495 -5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.708 -3.344 -1.482 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.564 -3.294 -2.673 1.00 0.00 H new ATOM 136 N THR A 22 2.829 -8.966 -2.755 1.00 0.00 N ATOM 137 CA THR A 22 4.178 -9.451 -2.529 1.00 0.00 C ATOM 138 C THR A 22 5.073 -9.136 -3.727 1.00 0.00 C ATOM 139 O THR A 22 5.179 -9.929 -4.670 1.00 0.00 O ATOM 140 CB THR A 22 4.180 -10.969 -2.263 1.00 0.00 C ATOM 141 OG1 THR A 22 2.829 -11.449 -2.163 1.00 0.00 O ATOM 142 CG2 THR A 22 4.937 -11.293 -0.982 1.00 0.00 C ATOM 0 H THR A 22 2.216 -9.631 -3.227 1.00 0.00 H new ATOM 0 HA THR A 22 4.571 -8.941 -1.649 1.00 0.00 H new ATOM 0 HB THR A 22 4.681 -11.463 -3.095 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.836 -12.415 -1.996 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.925 -12.370 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.968 -10.951 -1.072 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.460 -10.790 -0.141 1.00 0.00 H new ATOM 150 N GLY A 23 5.695 -7.969 -3.694 1.00 0.00 N ATOM 151 CA GLY A 23 6.558 -7.553 -4.780 1.00 0.00 C ATOM 152 C GLY A 23 7.946 -7.216 -4.288 1.00 0.00 C ATOM 153 O GLY A 23 8.155 -7.036 -3.088 1.00 0.00 O ATOM 0 H GLY A 23 5.617 -7.298 -2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.618 -8.348 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.126 -6.684 -5.277 1.00 0.00 H new ATOM 157 N THR A 24 8.896 -7.124 -5.201 1.00 0.00 N ATOM 158 CA THR A 24 10.269 -6.841 -4.829 1.00 0.00 C ATOM 159 C THR A 24 10.711 -5.464 -5.326 1.00 0.00 C ATOM 160 O THR A 24 10.732 -5.196 -6.529 1.00 0.00 O ATOM 161 CB THR A 24 11.218 -7.928 -5.373 1.00 0.00 C ATOM 162 OG1 THR A 24 10.474 -8.869 -6.164 1.00 0.00 O ATOM 163 CG2 THR A 24 11.907 -8.666 -4.235 1.00 0.00 C ATOM 0 H THR A 24 8.742 -7.241 -6.203 1.00 0.00 H new ATOM 0 HA THR A 24 10.318 -6.842 -3.740 1.00 0.00 H new ATOM 0 HB THR A 24 11.977 -7.443 -5.987 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.080 -9.557 -6.510 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.571 -9.427 -4.644 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.487 -7.959 -3.642 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.157 -9.141 -3.602 1.00 0.00 H new ATOM 171 N ILE A 25 11.030 -4.591 -4.386 1.00 0.00 N ATOM 172 CA ILE A 25 11.605 -3.292 -4.695 1.00 0.00 C ATOM 173 C ILE A 25 13.128 -3.426 -4.706 1.00 0.00 C ATOM 174 O ILE A 25 13.684 -4.322 -4.058 1.00 0.00 O ATOM 175 CB ILE A 25 11.145 -2.205 -3.677 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.984 -0.927 -3.800 1.00 0.00 C ATOM 177 CG2 ILE A 25 11.198 -2.737 -2.256 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.571 0.173 -2.843 1.00 0.00 C ATOM 0 H ILE A 25 10.898 -4.762 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 25 11.256 -2.968 -5.675 1.00 0.00 H new ATOM 0 HB ILE A 25 10.112 -1.952 -3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.031 -1.173 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.911 -0.553 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.872 -1.960 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.540 -3.602 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.219 -3.032 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.211 1.043 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.534 0.449 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.671 -0.181 -1.817 1.00 0.00 H new ATOM 190 N GLN A 26 13.802 -2.577 -5.464 1.00 0.00 N ATOM 191 CA GLN A 26 15.241 -2.693 -5.608 1.00 0.00 C ATOM 192 C GLN A 26 15.977 -1.606 -4.834 1.00 0.00 C ATOM 193 O GLN A 26 16.366 -0.581 -5.397 1.00 0.00 O ATOM 194 CB GLN A 26 15.638 -2.662 -7.086 1.00 0.00 C ATOM 195 CG GLN A 26 14.598 -3.277 -8.008 1.00 0.00 C ATOM 196 CD GLN A 26 15.010 -4.636 -8.542 1.00 0.00 C ATOM 197 OE1 GLN A 26 15.148 -4.819 -9.751 1.00 0.00 O ATOM 198 NE2 GLN A 26 15.206 -5.595 -7.651 1.00 0.00 N ATOM 0 H GLN A 26 13.380 -1.808 -5.984 1.00 0.00 H new ATOM 0 HA GLN A 26 15.536 -3.653 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 26 15.811 -1.628 -7.386 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.582 -3.193 -7.211 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.655 -3.375 -7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.418 -2.603 -8.845 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.081 -5.401 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.482 -6.528 -7.958 1.00 0.00 H new ATOM 207 N GLY A 27 16.157 -1.839 -3.539 1.00 0.00 N ATOM 208 CA GLY A 27 17.046 -1.009 -2.747 1.00 0.00 C ATOM 209 C GLY A 27 16.492 0.364 -2.486 1.00 0.00 C ATOM 210 O GLY A 27 15.286 0.519 -2.320 1.00 0.00 O ATOM 0 H GLY A 27 15.701 -2.591 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.242 -1.502 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.002 -0.917 -3.262 1.00 0.00 H new ATOM 214 N LYS A 28 17.371 1.360 -2.468 1.00 0.00 N ATOM 215 CA LYS A 28 16.981 2.732 -2.160 1.00 0.00 C ATOM 216 C LYS A 28 16.215 3.369 -3.315 1.00 0.00 C ATOM 217 O LYS A 28 16.575 4.437 -3.814 1.00 0.00 O ATOM 218 CB LYS A 28 18.205 3.580 -1.803 1.00 0.00 C ATOM 219 CG LYS A 28 19.379 3.425 -2.759 1.00 0.00 C ATOM 220 CD LYS A 28 20.676 3.911 -2.128 1.00 0.00 C ATOM 221 CE LYS A 28 20.469 5.206 -1.355 1.00 0.00 C ATOM 222 NZ LYS A 28 21.640 6.114 -1.455 1.00 0.00 N ATOM 0 H LYS A 28 18.365 1.242 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 28 16.318 2.695 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.910 4.629 -1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.534 3.316 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.482 2.378 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 28 19.184 3.987 -3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 28 21.066 3.144 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 28 21.424 4.066 -2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.583 5.716 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.279 4.975 -0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.453 6.982 -0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.481 5.639 -1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.807 6.357 -2.452 1.00 0.00 H new ATOM 236 N GLY A 29 15.158 2.701 -3.725 1.00 0.00 N ATOM 237 CA GLY A 29 14.285 3.221 -4.739 1.00 0.00 C ATOM 238 C GLY A 29 12.932 3.543 -4.159 1.00 0.00 C ATOM 239 O GLY A 29 12.699 3.337 -2.962 1.00 0.00 O ATOM 0 H GLY A 29 14.886 1.787 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.722 4.118 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.178 2.493 -5.543 1.00 0.00 H new ATOM 243 N GLU A 30 12.044 4.036 -5.000 1.00 0.00 N ATOM 244 CA GLU A 30 10.707 4.412 -4.577 1.00 0.00 C ATOM 245 C GLU A 30 9.688 3.891 -5.573 1.00 0.00 C ATOM 246 O GLU A 30 9.735 4.233 -6.756 1.00 0.00 O ATOM 247 CB GLU A 30 10.580 5.933 -4.467 1.00 0.00 C ATOM 248 CG GLU A 30 11.493 6.558 -3.426 1.00 0.00 C ATOM 249 CD GLU A 30 11.525 8.063 -3.534 1.00 0.00 C ATOM 250 OE1 GLU A 30 12.211 8.582 -4.436 1.00 0.00 O ATOM 251 OE2 GLU A 30 10.848 8.736 -2.728 1.00 0.00 O ATOM 0 H GLU A 30 12.227 4.187 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 30 10.521 3.974 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.798 6.376 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.547 6.184 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.155 6.273 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.502 6.164 -3.545 1.00 0.00 H new ATOM 258 N VAL A 31 8.785 3.053 -5.101 1.00 0.00 N ATOM 259 CA VAL A 31 7.738 2.506 -5.946 1.00 0.00 C ATOM 260 C VAL A 31 6.407 2.525 -5.205 1.00 0.00 C ATOM 261 O VAL A 31 6.347 2.254 -4.008 1.00 0.00 O ATOM 262 CB VAL A 31 8.078 1.062 -6.405 1.00 0.00 C ATOM 263 CG1 VAL A 31 8.310 0.143 -5.213 1.00 0.00 C ATOM 264 CG2 VAL A 31 6.987 0.505 -7.308 1.00 0.00 C ATOM 0 H VAL A 31 8.755 2.734 -4.133 1.00 0.00 H new ATOM 0 HA VAL A 31 7.662 3.130 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 31 9.004 1.109 -6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.546 -0.860 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.141 0.522 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.410 0.109 -4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.250 -0.507 -7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.041 0.486 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.887 1.137 -8.190 1.00 0.00 H new ATOM 274 N CYS A 32 5.350 2.876 -5.909 1.00 0.00 N ATOM 275 CA CYS A 32 4.030 2.946 -5.309 1.00 0.00 C ATOM 276 C CYS A 32 3.331 1.603 -5.401 1.00 0.00 C ATOM 277 O CYS A 32 3.478 0.887 -6.392 1.00 0.00 O ATOM 278 CB CYS A 32 3.188 4.006 -6.018 1.00 0.00 C ATOM 279 SG CYS A 32 3.724 4.370 -7.719 1.00 0.00 S ATOM 0 H CYS A 32 5.378 3.118 -6.899 1.00 0.00 H new ATOM 0 HA CYS A 32 4.145 3.215 -4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.150 3.675 -6.039 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.217 4.927 -5.435 1.00 0.00 H new ATOM 0 HG CYS A 32 4.962 4.766 -7.708 1.00 0.00 H new ATOM 284 N ILE A 33 2.587 1.246 -4.368 1.00 0.00 N ATOM 285 CA ILE A 33 1.723 0.094 -4.454 1.00 0.00 C ATOM 286 C ILE A 33 0.461 0.499 -5.182 1.00 0.00 C ATOM 287 O ILE A 33 -0.245 1.434 -4.772 1.00 0.00 O ATOM 288 CB ILE A 33 1.403 -0.532 -3.069 1.00 0.00 C ATOM 289 CG1 ILE A 33 2.239 -1.797 -2.878 1.00 0.00 C ATOM 290 CG2 ILE A 33 -0.084 -0.866 -2.915 1.00 0.00 C ATOM 291 CD1 ILE A 33 2.178 -2.742 -4.060 1.00 0.00 C ATOM 0 H ILE A 33 2.567 1.734 -3.473 1.00 0.00 H new ATOM 0 HA ILE A 33 2.243 -0.688 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 33 1.653 0.205 -2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.277 -1.515 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.895 -2.320 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.259 -1.301 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.674 0.044 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.378 -1.579 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.794 -3.618 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.146 -3.053 -4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.550 -2.235 -4.950 1.00 0.00 H new ATOM 476 N LEU A 46 -8.208 2.513 4.843 1.00 0.00 N ATOM 477 CA LEU A 46 -6.935 1.983 4.399 1.00 0.00 C ATOM 478 C LEU A 46 -6.209 1.281 5.543 1.00 0.00 C ATOM 479 O LEU A 46 -5.690 1.927 6.457 1.00 0.00 O ATOM 480 CB LEU A 46 -6.059 3.106 3.832 1.00 0.00 C ATOM 481 CG LEU A 46 -6.417 4.530 4.277 1.00 0.00 C ATOM 482 CD1 LEU A 46 -5.336 5.092 5.186 1.00 0.00 C ATOM 483 CD2 LEU A 46 -6.615 5.431 3.064 1.00 0.00 C ATOM 0 HA LEU A 46 -7.128 1.252 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.024 2.909 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.108 3.064 2.744 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.351 4.492 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.607 6.103 5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.238 4.460 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.387 5.117 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.868 6.438 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.695 5.462 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.423 5.038 2.447 1.00 0.00 H new ATOM 495 N TYR A 47 -6.201 -0.043 5.498 1.00 0.00 N ATOM 496 CA TYR A 47 -5.484 -0.844 6.473 1.00 0.00 C ATOM 497 C TYR A 47 -4.475 -1.743 5.758 1.00 0.00 C ATOM 498 O TYR A 47 -4.837 -2.784 5.206 1.00 0.00 O ATOM 499 CB TYR A 47 -6.472 -1.684 7.293 1.00 0.00 C ATOM 500 CG TYR A 47 -5.880 -2.323 8.537 1.00 0.00 C ATOM 501 CD1 TYR A 47 -5.008 -3.402 8.445 1.00 0.00 C ATOM 502 CD2 TYR A 47 -6.208 -1.853 9.802 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.479 -3.992 9.578 1.00 0.00 C ATOM 504 CE2 TYR A 47 -5.681 -2.434 10.938 1.00 0.00 C ATOM 505 CZ TYR A 47 -4.818 -3.502 10.824 1.00 0.00 C ATOM 506 OH TYR A 47 -4.297 -4.083 11.958 1.00 0.00 O ATOM 0 H TYR A 47 -6.689 -0.588 4.788 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.945 -0.186 7.155 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.308 -1.051 7.589 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.877 -2.469 6.655 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.739 -3.786 7.472 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.887 -1.019 9.899 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.805 -4.831 9.489 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.944 -2.052 11.913 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.636 -3.616 12.750 1.00 0.00 H new ATOM 516 N ALA A 48 -3.215 -1.334 5.753 1.00 0.00 N ATOM 517 CA ALA A 48 -2.173 -2.094 5.075 1.00 0.00 C ATOM 518 C ALA A 48 -0.912 -2.186 5.926 1.00 0.00 C ATOM 519 O ALA A 48 -0.348 -1.169 6.319 1.00 0.00 O ATOM 520 CB ALA A 48 -1.857 -1.456 3.732 1.00 0.00 C ATOM 0 H ALA A 48 -2.889 -0.482 6.209 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.541 -3.107 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.077 -2.030 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.754 -1.447 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.512 -0.434 3.887 1.00 0.00 H new ATOM 526 N VAL A 49 -0.484 -3.404 6.218 1.00 0.00 N ATOM 527 CA VAL A 49 0.741 -3.627 6.979 1.00 0.00 C ATOM 528 C VAL A 49 1.856 -4.077 6.042 1.00 0.00 C ATOM 529 O VAL A 49 1.616 -4.875 5.131 1.00 0.00 O ATOM 530 CB VAL A 49 0.532 -4.683 8.098 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.348 -5.826 7.613 1.00 0.00 C ATOM 532 CG2 VAL A 49 1.867 -5.212 8.622 1.00 0.00 C ATOM 0 H VAL A 49 -0.967 -4.258 5.939 1.00 0.00 H new ATOM 0 HA VAL A 49 1.019 -2.686 7.454 1.00 0.00 H new ATOM 0 HB VAL A 49 0.022 -4.188 8.925 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.478 -6.551 8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.321 -5.435 7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.124 -6.311 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.685 -5.949 9.404 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.419 -5.678 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.450 -4.387 9.030 1.00 0.00 H new ATOM 542 N LEU A 50 3.068 -3.574 6.251 1.00 0.00 N ATOM 543 CA LEU A 50 4.176 -3.951 5.408 1.00 0.00 C ATOM 544 C LEU A 50 5.156 -4.781 6.208 1.00 0.00 C ATOM 545 O LEU A 50 5.433 -4.484 7.377 1.00 0.00 O ATOM 546 CB LEU A 50 4.867 -2.714 4.823 1.00 0.00 C ATOM 547 CG LEU A 50 4.976 -2.675 3.290 1.00 0.00 C ATOM 548 CD1 LEU A 50 6.267 -2.001 2.860 1.00 0.00 C ATOM 549 CD2 LEU A 50 4.904 -4.073 2.700 1.00 0.00 C ATOM 0 H LEU A 50 3.298 -2.911 6.992 1.00 0.00 H new ATOM 0 HA LEU A 50 3.800 -4.543 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.325 -1.828 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.871 -2.649 5.242 1.00 0.00 H new ATOM 0 HG LEU A 50 4.132 -2.096 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.324 -1.984 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.288 -0.980 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.117 -2.555 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.984 -4.014 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.723 -4.676 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.953 -4.533 2.970 1.00 0.00 H new ATOM 561 N HIS A 51 5.621 -5.857 5.597 1.00 0.00 N ATOM 562 CA HIS A 51 6.659 -6.681 6.186 1.00 0.00 C ATOM 563 C HIS A 51 7.881 -6.637 5.298 1.00 0.00 C ATOM 564 O HIS A 51 7.856 -7.104 4.156 1.00 0.00 O ATOM 565 CB HIS A 51 6.211 -8.137 6.362 1.00 0.00 C ATOM 566 CG HIS A 51 4.780 -8.303 6.759 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.351 -8.375 8.064 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.678 -8.414 6.001 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.040 -8.525 8.085 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.607 -8.551 6.842 1.00 0.00 N ATOM 0 H HIS A 51 5.293 -6.181 4.687 1.00 0.00 H new ATOM 0 HA HIS A 51 6.883 -6.284 7.176 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.379 -8.671 5.427 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.841 -8.609 7.116 1.00 0.00 H new ATOM 0 HD1 HIS A 51 4.952 -8.321 8.886 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.643 -8.398 4.922 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.427 -8.612 8.970 1.00 0.00 H new ATOM 0 HE2 HIS A 51 1.634 -8.656 6.553 1.00 0.00 H new ATOM 579 N SER A 52 8.934 -6.057 5.818 1.00 0.00 N ATOM 580 CA SER A 52 10.187 -5.953 5.098 1.00 0.00 C ATOM 581 C SER A 52 10.905 -7.301 5.075 1.00 0.00 C ATOM 582 O SER A 52 11.600 -7.666 6.022 1.00 0.00 O ATOM 583 CB SER A 52 11.062 -4.888 5.749 1.00 0.00 C ATOM 584 OG SER A 52 10.936 -3.645 5.088 1.00 0.00 O ATOM 0 H SER A 52 8.951 -5.643 6.750 1.00 0.00 H new ATOM 0 HA SER A 52 9.984 -5.663 4.067 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.782 -4.775 6.796 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.104 -5.209 5.730 1.00 0.00 H new ATOM 0 HG SER A 52 10.038 -3.283 5.240 1.00 0.00 H new ATOM 590 N THR A 53 10.728 -8.042 3.993 1.00 0.00 N ATOM 591 CA THR A 53 11.313 -9.365 3.875 1.00 0.00 C ATOM 592 C THR A 53 12.672 -9.303 3.181 1.00 0.00 C ATOM 593 O THR A 53 12.771 -9.462 1.962 1.00 0.00 O ATOM 594 CB THR A 53 10.381 -10.308 3.099 1.00 0.00 C ATOM 595 OG1 THR A 53 9.021 -9.853 3.208 1.00 0.00 O ATOM 596 CG2 THR A 53 10.498 -11.721 3.636 1.00 0.00 C ATOM 0 H THR A 53 10.182 -7.748 3.183 1.00 0.00 H new ATOM 0 HA THR A 53 11.451 -9.754 4.884 1.00 0.00 H new ATOM 0 HB THR A 53 10.675 -10.306 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.433 -10.458 2.710 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.832 -12.379 3.077 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.526 -12.068 3.527 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.220 -11.734 4.690 1.00 0.00 H new ATOM 604 N ASN A 54 13.715 -9.055 3.966 1.00 0.00 N ATOM 605 CA ASN A 54 15.071 -8.941 3.438 1.00 0.00 C ATOM 606 C ASN A 54 16.084 -8.878 4.575 1.00 0.00 C ATOM 607 O ASN A 54 15.729 -9.065 5.740 1.00 0.00 O ATOM 608 CB ASN A 54 15.205 -7.701 2.548 1.00 0.00 C ATOM 609 CG ASN A 54 14.907 -6.409 3.282 1.00 0.00 C ATOM 610 OD1 ASN A 54 15.814 -5.716 3.727 1.00 0.00 O ATOM 611 ND2 ASN A 54 13.631 -6.079 3.404 1.00 0.00 N ATOM 0 H ASN A 54 13.647 -8.928 4.976 1.00 0.00 H new ATOM 0 HA ASN A 54 15.274 -9.826 2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 54 16.217 -7.658 2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 54 14.527 -7.795 1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.371 -5.218 3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.908 -6.686 3.018 1.00 0.00 H new ATOM 618 N VAL A 55 17.340 -8.610 4.228 1.00 0.00 N ATOM 619 CA VAL A 55 18.419 -8.566 5.209 1.00 0.00 C ATOM 620 C VAL A 55 18.337 -7.304 6.063 1.00 0.00 C ATOM 621 O VAL A 55 18.005 -7.366 7.247 1.00 0.00 O ATOM 622 CB VAL A 55 19.805 -8.621 4.531 1.00 0.00 C ATOM 623 CG1 VAL A 55 20.893 -8.890 5.559 1.00 0.00 C ATOM 624 CG2 VAL A 55 19.830 -9.676 3.434 1.00 0.00 C ATOM 0 H VAL A 55 17.636 -8.419 3.271 1.00 0.00 H new ATOM 0 HA VAL A 55 18.299 -9.443 5.845 1.00 0.00 H new ATOM 0 HB VAL A 55 19.998 -7.651 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.862 -8.925 5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.895 -8.094 6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.702 -9.844 6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 55 20.817 -9.696 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.611 -10.653 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 55 19.080 -9.435 2.680 1.00 0.00 H new ATOM 634 N ASN A 56 18.625 -6.161 5.451 1.00 0.00 N ATOM 635 CA ASN A 56 18.603 -4.886 6.162 1.00 0.00 C ATOM 636 C ASN A 56 17.221 -4.261 6.050 1.00 0.00 C ATOM 637 O ASN A 56 17.007 -3.302 5.305 1.00 0.00 O ATOM 638 CB ASN A 56 19.680 -3.923 5.631 1.00 0.00 C ATOM 639 CG ASN A 56 19.831 -3.936 4.116 1.00 0.00 C ATOM 640 OD1 ASN A 56 20.780 -4.511 3.581 1.00 0.00 O ATOM 641 ND2 ASN A 56 18.904 -3.304 3.415 1.00 0.00 N ATOM 0 H ASN A 56 18.876 -6.090 4.465 1.00 0.00 H new ATOM 0 HA ASN A 56 18.828 -5.075 7.212 1.00 0.00 H new ATOM 0 HB2 ASN A 56 19.437 -2.910 5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 56 20.638 -4.180 6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.961 -3.282 2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 56 18.132 -2.839 3.893 1.00 0.00 H new ATOM 648 N ALA A 57 16.288 -4.817 6.807 1.00 0.00 N ATOM 649 CA ALA A 57 14.886 -4.455 6.698 1.00 0.00 C ATOM 650 C ALA A 57 14.599 -3.089 7.309 1.00 0.00 C ATOM 651 O ALA A 57 13.986 -2.981 8.373 1.00 0.00 O ATOM 652 CB ALA A 57 14.021 -5.530 7.336 1.00 0.00 C ATOM 0 H ALA A 57 16.482 -5.529 7.511 1.00 0.00 H new ATOM 0 HA ALA A 57 14.640 -4.384 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.971 -5.251 7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.187 -6.480 6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.284 -5.632 8.389 1.00 0.00 H new ATOM 658 N ASP A 58 15.065 -2.054 6.633 1.00 0.00 N ATOM 659 CA ASP A 58 14.741 -0.686 6.991 1.00 0.00 C ATOM 660 C ASP A 58 14.010 -0.038 5.829 1.00 0.00 C ATOM 661 O ASP A 58 14.593 0.744 5.073 1.00 0.00 O ATOM 662 CB ASP A 58 16.004 0.120 7.322 1.00 0.00 C ATOM 663 CG ASP A 58 15.679 1.437 8.005 1.00 0.00 C ATOM 664 OD1 ASP A 58 14.503 1.660 8.357 1.00 0.00 O ATOM 665 OD2 ASP A 58 16.599 2.260 8.192 1.00 0.00 O ATOM 0 H ASP A 58 15.678 -2.139 5.822 1.00 0.00 H new ATOM 0 HA ASP A 58 14.110 -0.696 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.653 -0.472 7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.560 0.315 6.405 1.00 0.00 H new ATOM 670 N MET A 59 12.744 -0.375 5.666 1.00 0.00 N ATOM 671 CA MET A 59 11.984 0.144 4.551 1.00 0.00 C ATOM 672 C MET A 59 10.912 1.060 5.090 1.00 0.00 C ATOM 673 O MET A 59 10.721 1.149 6.301 1.00 0.00 O ATOM 674 CB MET A 59 11.379 -0.996 3.729 1.00 0.00 C ATOM 675 CG MET A 59 11.404 -0.765 2.226 1.00 0.00 C ATOM 676 SD MET A 59 11.671 -2.284 1.290 1.00 0.00 S ATOM 677 CE MET A 59 10.379 -3.328 1.961 1.00 0.00 C ATOM 0 H MET A 59 12.227 -0.999 6.286 1.00 0.00 H new ATOM 0 HA MET A 59 12.638 0.705 3.884 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.919 -1.916 3.953 1.00 0.00 H new ATOM 0 HB3 MET A 59 10.347 -1.148 4.044 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.461 -0.314 1.917 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.193 -0.052 1.986 1.00 0.00 H new ATOM 0 HE1 MET A 59 9.953 -3.938 1.164 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.798 -3.977 2.730 1.00 0.00 H new ATOM 0 HE3 MET A 59 9.598 -2.705 2.398 1.00 0.00 H new ATOM 687 N THR A 60 10.254 1.783 4.216 1.00 0.00 N ATOM 688 CA THR A 60 9.224 2.691 4.651 1.00 0.00 C ATOM 689 C THR A 60 8.036 2.675 3.701 1.00 0.00 C ATOM 690 O THR A 60 8.164 3.037 2.530 1.00 0.00 O ATOM 691 CB THR A 60 9.789 4.113 4.789 1.00 0.00 C ATOM 692 OG1 THR A 60 10.853 4.308 3.851 1.00 0.00 O ATOM 693 CG2 THR A 60 10.323 4.338 6.193 1.00 0.00 C ATOM 0 H THR A 60 10.412 1.760 3.209 1.00 0.00 H new ATOM 0 HA THR A 60 8.872 2.359 5.628 1.00 0.00 H new ATOM 0 HB THR A 60 8.985 4.822 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.620 3.884 2.999 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.720 5.350 6.274 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.517 4.206 6.914 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.117 3.620 6.400 1.00 0.00 H new ATOM 701 N LEU A 61 6.893 2.227 4.202 1.00 0.00 N ATOM 702 CA LEU A 61 5.668 2.267 3.436 1.00 0.00 C ATOM 703 C LEU A 61 4.948 3.563 3.751 1.00 0.00 C ATOM 704 O LEU A 61 4.448 3.757 4.855 1.00 0.00 O ATOM 705 CB LEU A 61 4.784 1.059 3.764 1.00 0.00 C ATOM 706 CG LEU A 61 3.284 1.260 3.543 1.00 0.00 C ATOM 707 CD1 LEU A 61 2.940 1.079 2.078 1.00 0.00 C ATOM 708 CD2 LEU A 61 2.482 0.299 4.406 1.00 0.00 C ATOM 0 H LEU A 61 6.795 1.832 5.137 1.00 0.00 H new ATOM 0 HA LEU A 61 5.897 2.223 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.113 0.215 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.946 0.785 4.806 1.00 0.00 H new ATOM 0 HG LEU A 61 3.023 2.277 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.869 1.225 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.488 1.809 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.215 0.073 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.417 0.458 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.742 -0.727 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.711 0.476 5.457 1.00 0.00 H new ATOM 720 N ILE A 62 4.943 4.474 2.808 1.00 0.00 N ATOM 721 CA ILE A 62 4.333 5.759 3.041 1.00 0.00 C ATOM 722 C ILE A 62 3.022 5.890 2.292 1.00 0.00 C ATOM 723 O ILE A 62 2.925 5.635 1.088 1.00 0.00 O ATOM 724 CB ILE A 62 5.294 6.931 2.717 1.00 0.00 C ATOM 725 CG1 ILE A 62 5.238 7.312 1.241 1.00 0.00 C ATOM 726 CG2 ILE A 62 6.719 6.570 3.113 1.00 0.00 C ATOM 727 CD1 ILE A 62 6.207 8.403 0.871 1.00 0.00 C ATOM 0 H ILE A 62 5.350 4.351 1.881 1.00 0.00 H new ATOM 0 HA ILE A 62 4.113 5.819 4.107 1.00 0.00 H new ATOM 0 HB ILE A 62 4.969 7.795 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.447 6.429 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.227 7.635 0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.383 7.402 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.758 6.363 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.037 5.686 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.116 8.626 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.984 9.299 1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.224 8.075 1.087 1.00 0.00 H new ATOM 739 N LEU A 63 2.000 6.230 3.043 1.00 0.00 N ATOM 740 CA LEU A 63 0.703 6.511 2.485 1.00 0.00 C ATOM 741 C LEU A 63 0.708 7.929 1.931 1.00 0.00 C ATOM 742 O LEU A 63 0.704 8.905 2.690 1.00 0.00 O ATOM 743 CB LEU A 63 -0.367 6.348 3.562 1.00 0.00 C ATOM 744 CG LEU A 63 -1.706 6.983 3.231 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.562 6.025 2.418 1.00 0.00 C ATOM 746 CD2 LEU A 63 -2.423 7.413 4.502 1.00 0.00 C ATOM 0 H LEU A 63 2.047 6.319 4.058 1.00 0.00 H new ATOM 0 HA LEU A 63 0.478 5.814 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.520 5.284 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.004 6.780 4.491 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.529 7.873 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.518 6.496 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.048 5.777 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.734 5.114 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.380 7.866 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.592 6.543 5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.811 8.139 5.037 1.00 0.00 H new ATOM 758 N LEU A 64 0.777 8.037 0.615 1.00 0.00 N ATOM 759 CA LEU A 64 0.913 9.326 -0.035 1.00 0.00 C ATOM 760 C LEU A 64 -0.057 9.457 -1.206 1.00 0.00 C ATOM 761 O LEU A 64 -0.586 8.464 -1.701 1.00 0.00 O ATOM 762 CB LEU A 64 2.359 9.518 -0.501 1.00 0.00 C ATOM 763 CG LEU A 64 2.537 10.377 -1.747 1.00 0.00 C ATOM 764 CD1 LEU A 64 2.970 11.782 -1.369 1.00 0.00 C ATOM 765 CD2 LEU A 64 3.527 9.732 -2.694 1.00 0.00 C ATOM 0 H LEU A 64 0.741 7.243 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 64 0.665 10.107 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.928 9.967 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.794 8.537 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 64 1.579 10.452 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.092 12.380 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.212 12.237 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.917 11.739 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.644 10.357 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.490 9.625 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.160 8.749 -2.990 1.00 0.00 H new ATOM 777 N ARG A 65 -0.292 10.691 -1.633 1.00 0.00 N ATOM 778 CA ARG A 65 -1.112 10.961 -2.802 1.00 0.00 C ATOM 779 C ARG A 65 -0.770 12.324 -3.409 1.00 0.00 C ATOM 780 O ARG A 65 -1.074 13.362 -2.834 1.00 0.00 O ATOM 781 CB ARG A 65 -2.606 10.895 -2.448 1.00 0.00 C ATOM 782 CG ARG A 65 -3.034 11.819 -1.314 1.00 0.00 C ATOM 783 CD ARG A 65 -4.299 12.585 -1.676 1.00 0.00 C ATOM 784 NE ARG A 65 -4.501 13.770 -0.837 1.00 0.00 N ATOM 785 CZ ARG A 65 -3.883 14.941 -1.026 1.00 0.00 C ATOM 786 NH1 ARG A 65 -2.955 15.069 -1.959 1.00 0.00 N ATOM 787 NH2 ARG A 65 -4.177 15.979 -0.259 1.00 0.00 N ATOM 0 H ARG A 65 0.079 11.527 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.898 10.192 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.187 11.140 -3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.856 9.869 -2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.206 11.234 -0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.231 12.522 -1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.248 12.889 -2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.160 11.924 -1.578 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.156 13.697 -0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.705 14.271 -2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.489 15.966 -2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.876 15.887 0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.704 16.871 -0.405 1.00 0.00 H new ATOM 801 N ASN A 66 -0.115 12.319 -4.559 1.00 0.00 N ATOM 802 CA ASN A 66 0.070 13.543 -5.332 1.00 0.00 C ATOM 803 C ASN A 66 -0.304 13.295 -6.784 1.00 0.00 C ATOM 804 O ASN A 66 0.548 13.063 -7.641 1.00 0.00 O ATOM 805 CB ASN A 66 1.503 14.095 -5.226 1.00 0.00 C ATOM 806 CG ASN A 66 2.584 13.040 -5.371 1.00 0.00 C ATOM 807 OD1 ASN A 66 3.078 12.507 -4.382 1.00 0.00 O ATOM 808 ND2 ASN A 66 2.973 12.744 -6.601 1.00 0.00 N ATOM 0 H ASN A 66 0.297 11.486 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.589 14.302 -4.911 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.646 14.855 -5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.620 14.590 -4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.707 12.052 -6.751 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.539 13.208 -7.399 1.00 0.00 H new ATOM 815 N VAL A 67 -1.587 13.344 -7.065 1.00 0.00 N ATOM 816 CA VAL A 67 -2.066 13.067 -8.402 1.00 0.00 C ATOM 817 C VAL A 67 -2.266 14.372 -9.168 1.00 0.00 C ATOM 818 O VAL A 67 -3.049 15.239 -8.772 1.00 0.00 O ATOM 819 CB VAL A 67 -3.355 12.211 -8.374 1.00 0.00 C ATOM 820 CG1 VAL A 67 -4.406 12.818 -7.453 1.00 0.00 C ATOM 821 CG2 VAL A 67 -3.907 12.011 -9.779 1.00 0.00 C ATOM 0 H VAL A 67 -2.316 13.572 -6.389 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.312 12.480 -8.926 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.093 11.232 -7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.298 12.192 -7.457 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.010 12.879 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.663 13.818 -7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.813 11.406 -9.731 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.141 12.980 -10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.163 11.503 -10.393 1.00 0.00 H new ATOM 831 N GLY A 68 -1.514 14.509 -10.247 1.00 0.00 N ATOM 832 CA GLY A 68 -1.458 15.756 -10.979 1.00 0.00 C ATOM 833 C GLY A 68 -0.032 16.254 -11.047 1.00 0.00 C ATOM 834 O GLY A 68 0.341 17.018 -11.939 1.00 0.00 O ATOM 0 H GLY A 68 -0.932 13.766 -10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.850 15.614 -11.986 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.089 16.501 -10.493 1.00 0.00 H new ATOM 838 N GLY A 69 0.765 15.804 -10.087 1.00 0.00 N ATOM 839 CA GLY A 69 2.178 16.100 -10.080 1.00 0.00 C ATOM 840 C GLY A 69 2.996 14.831 -10.194 1.00 0.00 C ATOM 841 O GLY A 69 2.858 13.921 -9.371 1.00 0.00 O ATOM 0 H GLY A 69 0.449 15.232 -9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.418 16.768 -10.907 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.439 16.625 -9.161 1.00 0.00 H new ATOM 845 N ASN A 70 3.830 14.756 -11.221 1.00 0.00 N ATOM 846 CA ASN A 70 4.611 13.551 -11.490 1.00 0.00 C ATOM 847 C ASN A 70 5.846 13.473 -10.596 1.00 0.00 C ATOM 848 O ASN A 70 6.978 13.551 -11.072 1.00 0.00 O ATOM 849 CB ASN A 70 5.024 13.507 -12.962 1.00 0.00 C ATOM 850 CG ASN A 70 4.372 12.366 -13.720 1.00 0.00 C ATOM 851 OD1 ASN A 70 4.317 11.229 -13.243 1.00 0.00 O ATOM 852 ND2 ASN A 70 3.871 12.661 -14.910 1.00 0.00 N ATOM 0 H ASN A 70 3.985 15.515 -11.884 1.00 0.00 H new ATOM 0 HA ASN A 70 3.981 12.690 -11.267 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.760 14.451 -13.438 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.108 13.409 -13.028 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.420 11.936 -15.467 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.937 13.613 -15.269 1.00 0.00 H new ATOM 859 N GLY A 71 5.615 13.328 -9.302 1.00 0.00 N ATOM 860 CA GLY A 71 6.700 13.185 -8.352 1.00 0.00 C ATOM 861 C GLY A 71 6.178 12.785 -6.992 1.00 0.00 C ATOM 862 O GLY A 71 5.863 13.641 -6.166 1.00 0.00 O ATOM 0 H GLY A 71 4.684 13.306 -8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.405 12.435 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.246 14.125 -8.274 1.00 0.00 H new ATOM 866 N TRP A 72 6.066 11.481 -6.768 1.00 0.00 N ATOM 867 CA TRP A 72 5.435 10.961 -5.561 1.00 0.00 C ATOM 868 C TRP A 72 6.279 11.239 -4.319 1.00 0.00 C ATOM 869 O TRP A 72 7.330 10.629 -4.100 1.00 0.00 O ATOM 870 CB TRP A 72 5.142 9.467 -5.714 1.00 0.00 C ATOM 871 CG TRP A 72 4.238 9.173 -6.874 1.00 0.00 C ATOM 872 CD1 TRP A 72 4.624 8.757 -8.112 1.00 0.00 C ATOM 873 CD2 TRP A 72 2.804 9.273 -6.912 1.00 0.00 C ATOM 874 NE1 TRP A 72 3.530 8.611 -8.925 1.00 0.00 N ATOM 875 CE2 TRP A 72 2.400 8.911 -8.211 1.00 0.00 C ATOM 876 CE3 TRP A 72 1.819 9.633 -5.979 1.00 0.00 C ATOM 877 CZ2 TRP A 72 1.063 8.896 -8.602 1.00 0.00 C ATOM 878 CZ3 TRP A 72 0.487 9.614 -6.371 1.00 0.00 C ATOM 879 CH2 TRP A 72 0.123 9.244 -7.671 1.00 0.00 C ATOM 0 H TRP A 72 6.405 10.763 -7.408 1.00 0.00 H new ATOM 0 HA TRP A 72 4.488 11.483 -5.424 1.00 0.00 H new ATOM 0 HB2 TRP A 72 6.080 8.928 -5.844 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.684 9.094 -4.798 1.00 0.00 H new ATOM 0 HD1 TRP A 72 5.645 8.569 -8.410 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.554 8.325 -9.904 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.092 9.920 -4.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.778 8.619 -9.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -0.280 9.889 -5.662 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.922 9.233 -7.945 1.00 0.00 H new ATOM 890 N GLY A 73 5.777 12.154 -3.502 1.00 0.00 N ATOM 891 CA GLY A 73 6.508 12.636 -2.350 1.00 0.00 C ATOM 892 C GLY A 73 6.324 11.776 -1.114 1.00 0.00 C ATOM 893 O GLY A 73 5.940 10.614 -1.213 1.00 0.00 O ATOM 0 H GLY A 73 4.857 12.578 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.569 12.682 -2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.188 13.654 -2.126 1.00 0.00 H new ATOM 897 N GLU A 74 6.649 12.332 0.047 1.00 0.00 N ATOM 898 CA GLU A 74 6.436 11.646 1.319 1.00 0.00 C ATOM 899 C GLU A 74 5.232 12.212 2.078 1.00 0.00 C ATOM 900 O GLU A 74 4.996 13.420 2.058 1.00 0.00 O ATOM 901 CB GLU A 74 7.689 11.745 2.190 1.00 0.00 C ATOM 902 CG GLU A 74 8.983 11.573 1.415 1.00 0.00 C ATOM 903 CD GLU A 74 9.487 10.149 1.442 1.00 0.00 C ATOM 904 OE1 GLU A 74 10.171 9.779 2.422 1.00 0.00 O ATOM 905 OE2 GLU A 74 9.206 9.400 0.487 1.00 0.00 O ATOM 0 H GLU A 74 7.063 13.260 0.135 1.00 0.00 H new ATOM 0 HA GLU A 74 6.229 10.600 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.700 12.715 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.639 10.986 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.827 11.881 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.744 12.233 1.833 1.00 0.00 H new ATOM 912 N ILE A 75 4.473 11.340 2.744 1.00 0.00 N ATOM 913 CA ILE A 75 3.444 11.783 3.687 1.00 0.00 C ATOM 914 C ILE A 75 3.541 10.977 4.989 1.00 0.00 C ATOM 915 O ILE A 75 4.308 11.339 5.887 1.00 0.00 O ATOM 916 CB ILE A 75 2.004 11.688 3.112 1.00 0.00 C ATOM 917 CG1 ILE A 75 1.879 12.512 1.824 1.00 0.00 C ATOM 918 CG2 ILE A 75 0.984 12.168 4.142 1.00 0.00 C ATOM 919 CD1 ILE A 75 0.459 12.636 1.304 1.00 0.00 C ATOM 0 H ILE A 75 4.551 10.327 2.649 1.00 0.00 H new ATOM 0 HA ILE A 75 3.635 12.838 3.883 1.00 0.00 H new ATOM 0 HB ILE A 75 1.801 10.643 2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.277 13.511 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.499 12.056 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.019 12.095 3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.050 11.547 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.192 13.205 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.456 13.233 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.062 11.644 1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.163 13.121 2.056 1.00 0.00 H new ATOM 931 N LYS A 76 2.792 9.881 5.096 1.00 0.00 N ATOM 932 CA LYS A 76 2.825 9.064 6.308 1.00 0.00 C ATOM 933 C LYS A 76 3.708 7.845 6.112 1.00 0.00 C ATOM 934 O LYS A 76 3.308 6.879 5.473 1.00 0.00 O ATOM 935 CB LYS A 76 1.420 8.618 6.720 1.00 0.00 C ATOM 936 CG LYS A 76 1.217 8.578 8.231 1.00 0.00 C ATOM 937 CD LYS A 76 1.773 7.302 8.853 1.00 0.00 C ATOM 938 CE LYS A 76 2.943 7.601 9.779 1.00 0.00 C ATOM 939 NZ LYS A 76 2.888 6.801 11.032 1.00 0.00 N ATOM 0 H LYS A 76 2.163 9.541 4.369 1.00 0.00 H new ATOM 0 HA LYS A 76 3.239 9.683 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.688 9.295 6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.226 7.628 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.702 9.442 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.153 8.656 8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.986 6.794 9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.095 6.621 8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.878 7.394 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.945 8.662 10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.406 7.298 11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.897 6.674 11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.323 5.870 10.869 1.00 0.00 H new ATOM 953 N ARG A 77 4.898 7.899 6.681 1.00 0.00 N ATOM 954 CA ARG A 77 5.875 6.832 6.539 1.00 0.00 C ATOM 955 C ARG A 77 5.698 5.778 7.639 1.00 0.00 C ATOM 956 O ARG A 77 5.727 6.101 8.829 1.00 0.00 O ATOM 957 CB ARG A 77 7.284 7.440 6.571 1.00 0.00 C ATOM 958 CG ARG A 77 8.328 6.591 7.271 1.00 0.00 C ATOM 959 CD ARG A 77 8.682 7.134 8.649 1.00 0.00 C ATOM 960 NE ARG A 77 8.435 8.571 8.773 1.00 0.00 N ATOM 961 CZ ARG A 77 9.268 9.420 9.370 1.00 0.00 C ATOM 962 NH1 ARG A 77 10.421 8.988 9.870 1.00 0.00 N ATOM 963 NH2 ARG A 77 8.950 10.705 9.457 1.00 0.00 N ATOM 0 H ARG A 77 5.215 8.681 7.254 1.00 0.00 H new ATOM 0 HA ARG A 77 5.726 6.326 5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.610 7.620 5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.234 8.410 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.958 5.570 7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.228 6.546 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.101 6.604 9.404 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.733 6.932 8.855 1.00 0.00 H new ATOM 0 HE ARG A 77 7.572 8.945 8.378 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.671 8.002 9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.056 9.643 10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.069 11.040 9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.586 11.358 9.914 1.00 0.00 H new ATOM 977 N ASN A 78 5.470 4.534 7.233 1.00 0.00 N ATOM 978 CA ASN A 78 5.346 3.424 8.180 1.00 0.00 C ATOM 979 C ASN A 78 5.739 2.087 7.537 1.00 0.00 C ATOM 980 O ASN A 78 4.994 1.567 6.718 1.00 0.00 O ATOM 981 CB ASN A 78 3.891 3.327 8.658 1.00 0.00 C ATOM 982 CG ASN A 78 3.733 3.420 10.162 1.00 0.00 C ATOM 983 OD1 ASN A 78 4.222 4.353 10.798 1.00 0.00 O ATOM 984 ND2 ASN A 78 3.023 2.459 10.737 1.00 0.00 N ATOM 0 H ASN A 78 5.367 4.265 6.254 1.00 0.00 H new ATOM 0 HA ASN A 78 6.019 3.619 9.015 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.311 4.124 8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.468 2.383 8.315 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.864 2.475 11.744 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.635 1.704 10.172 1.00 0.00 H new ATOM 991 N ASP A 79 6.910 1.543 7.862 1.00 0.00 N ATOM 992 CA ASP A 79 7.200 0.140 7.530 1.00 0.00 C ATOM 993 C ASP A 79 8.239 -0.470 8.445 1.00 0.00 C ATOM 994 O ASP A 79 9.416 -0.115 8.399 1.00 0.00 O ATOM 995 CB ASP A 79 7.657 -0.062 6.085 1.00 0.00 C ATOM 996 CG ASP A 79 8.024 -1.518 5.799 1.00 0.00 C ATOM 997 OD1 ASP A 79 7.519 -2.421 6.505 1.00 0.00 O ATOM 998 OD2 ASP A 79 8.812 -1.767 4.868 1.00 0.00 O ATOM 0 H ASP A 79 7.662 2.035 8.344 1.00 0.00 H new ATOM 0 HA ASP A 79 6.245 -0.367 7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.864 0.252 5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.518 0.575 5.885 1.00 0.00 H new ATOM 1003 N ILE A 80 7.777 -1.365 9.291 1.00 0.00 N ATOM 1004 CA ILE A 80 8.620 -2.354 9.934 1.00 0.00 C ATOM 1005 C ILE A 80 7.760 -3.435 10.551 1.00 0.00 C ATOM 1006 O ILE A 80 7.638 -3.515 11.774 1.00 0.00 O ATOM 1007 CB ILE A 80 9.599 -1.796 11.008 1.00 0.00 C ATOM 1008 CG1 ILE A 80 9.237 -0.364 11.424 1.00 0.00 C ATOM 1009 CG2 ILE A 80 11.032 -1.863 10.501 1.00 0.00 C ATOM 1010 CD1 ILE A 80 10.075 0.170 12.568 1.00 0.00 C ATOM 0 H ILE A 80 6.794 -1.429 9.556 1.00 0.00 H new ATOM 0 HA ILE A 80 9.253 -2.750 9.140 1.00 0.00 H new ATOM 0 HB ILE A 80 9.508 -2.422 11.895 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.352 0.295 10.563 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.186 -0.333 11.711 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.706 -1.470 11.262 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.294 -2.899 10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.125 -1.268 9.592 1.00 0.00 H new ATOM 0 HD11 ILE A 80 9.761 1.186 12.805 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.942 -0.465 13.444 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.126 0.173 12.279 1.00 0.00 H new ATOM 1022 N ASP A 81 7.141 -4.243 9.693 1.00 0.00 N ATOM 1023 CA ASP A 81 6.263 -5.324 10.140 1.00 0.00 C ATOM 1024 C ASP A 81 5.067 -4.733 10.870 1.00 0.00 C ATOM 1025 O ASP A 81 4.583 -5.284 11.861 1.00 0.00 O ATOM 1026 CB ASP A 81 7.018 -6.294 11.061 1.00 0.00 C ATOM 1027 CG ASP A 81 6.824 -7.747 10.682 1.00 0.00 C ATOM 1028 OD1 ASP A 81 5.726 -8.110 10.217 1.00 0.00 O ATOM 1029 OD2 ASP A 81 7.773 -8.539 10.855 1.00 0.00 O ATOM 0 H ASP A 81 7.231 -4.169 8.680 1.00 0.00 H new ATOM 0 HA ASP A 81 5.919 -5.882 9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.082 -6.057 11.034 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.684 -6.145 12.088 1.00 0.00 H new ATOM 1034 N LYS A 82 4.590 -3.602 10.369 1.00 0.00 N ATOM 1035 CA LYS A 82 3.552 -2.850 11.066 1.00 0.00 C ATOM 1036 C LYS A 82 2.542 -2.265 10.088 1.00 0.00 C ATOM 1037 O LYS A 82 2.891 -1.918 8.958 1.00 0.00 O ATOM 1038 CB LYS A 82 4.172 -1.743 11.924 1.00 0.00 C ATOM 1039 CG LYS A 82 4.936 -0.689 11.135 1.00 0.00 C ATOM 1040 CD LYS A 82 5.295 0.501 12.009 1.00 0.00 C ATOM 1041 CE LYS A 82 6.331 0.128 13.054 1.00 0.00 C ATOM 1042 NZ LYS A 82 5.843 0.345 14.439 1.00 0.00 N ATOM 0 H LYS A 82 4.901 -3.187 9.491 1.00 0.00 H new ATOM 0 HA LYS A 82 3.022 -3.542 11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.380 -1.252 12.490 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.848 -2.197 12.649 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.845 -1.128 10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.332 -0.355 10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.679 1.309 11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.398 0.876 12.501 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.608 -0.919 12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.233 0.718 12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.586 0.076 15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.603 1.349 14.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.997 -0.237 14.604 1.00 0.00 H new ATOM 1056 N PRO A 83 1.271 -2.168 10.509 1.00 0.00 N ATOM 1057 CA PRO A 83 0.189 -1.686 9.657 1.00 0.00 C ATOM 1058 C PRO A 83 0.066 -0.167 9.631 1.00 0.00 C ATOM 1059 O PRO A 83 0.199 0.507 10.657 1.00 0.00 O ATOM 1060 CB PRO A 83 -1.046 -2.307 10.304 1.00 0.00 C ATOM 1061 CG PRO A 83 -0.715 -2.396 11.756 1.00 0.00 C ATOM 1062 CD PRO A 83 0.784 -2.544 11.851 1.00 0.00 C ATOM 0 HA PRO A 83 0.345 -1.959 8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.931 -1.692 10.137 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.258 -3.291 9.886 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.050 -1.504 12.285 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.218 -3.247 12.216 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.200 -1.895 12.622 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.068 -3.565 12.106 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.177 0.361 8.447 1.00 0.00 N ATOM 1071 CA LEU A 84 -0.470 1.767 8.276 1.00 0.00 C ATOM 1072 C LEU A 84 -1.970 1.960 8.128 1.00 0.00 C ATOM 1073 O LEU A 84 -2.522 1.815 7.038 1.00 0.00 O ATOM 1074 CB LEU A 84 0.252 2.324 7.047 1.00 0.00 C ATOM 1075 CG LEU A 84 0.651 3.802 7.129 1.00 0.00 C ATOM 1076 CD1 LEU A 84 1.587 4.155 5.990 1.00 0.00 C ATOM 1077 CD2 LEU A 84 -0.571 4.705 7.099 1.00 0.00 C ATOM 0 H LEU A 84 -0.176 -0.174 7.578 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.119 2.308 9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.151 1.732 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.390 2.187 6.177 1.00 0.00 H new ATOM 0 HG LEU A 84 1.165 3.960 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.863 5.207 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.484 3.539 6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.087 3.973 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.255 5.747 7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.119 4.545 6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.216 4.472 7.946 1.00 0.00 H new ATOM 1089 N LYS A 85 -2.629 2.238 9.236 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.034 2.591 9.209 1.00 0.00 C ATOM 1091 C LYS A 85 -4.205 3.999 9.746 1.00 0.00 C ATOM 1092 O LYS A 85 -3.728 4.318 10.836 1.00 0.00 O ATOM 1093 CB LYS A 85 -4.870 1.605 10.028 1.00 0.00 C ATOM 1094 CG LYS A 85 -6.359 1.696 9.734 1.00 0.00 C ATOM 1095 CD LYS A 85 -7.186 1.758 11.009 1.00 0.00 C ATOM 1096 CE LYS A 85 -7.709 3.161 11.265 1.00 0.00 C ATOM 1097 NZ LYS A 85 -8.883 3.487 10.408 1.00 0.00 N ATOM 0 H LYS A 85 -2.213 2.226 10.167 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.387 2.545 8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.527 0.591 9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.703 1.791 11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.556 2.582 9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.666 0.833 9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.023 1.064 10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.578 1.435 11.854 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.989 3.257 12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.914 3.883 11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.655 4.301 9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.117 2.667 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.698 3.721 11.010 1.00 0.00 H new ATOM 1111 N TYR A 86 -4.855 4.843 8.968 1.00 0.00 N ATOM 1112 CA TYR A 86 -5.087 6.217 9.371 1.00 0.00 C ATOM 1113 C TYR A 86 -6.552 6.421 9.720 1.00 0.00 C ATOM 1114 O TYR A 86 -7.425 5.727 9.196 1.00 0.00 O ATOM 1115 CB TYR A 86 -4.674 7.177 8.251 1.00 0.00 C ATOM 1116 CG TYR A 86 -3.932 8.409 8.729 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -3.713 8.642 10.083 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -3.449 9.340 7.819 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -3.040 9.770 10.512 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -2.774 10.469 8.242 1.00 0.00 C ATOM 1121 CZ TYR A 86 -2.572 10.679 9.588 1.00 0.00 C ATOM 1122 OH TYR A 86 -1.898 11.802 10.013 1.00 0.00 O ATOM 0 H TYR A 86 -5.232 4.601 8.052 1.00 0.00 H new ATOM 0 HA TYR A 86 -4.482 6.428 10.253 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.044 6.640 7.542 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.567 7.492 7.710 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.075 7.930 10.810 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.604 9.179 6.762 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.881 9.939 11.567 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.406 11.184 7.520 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.634 12.339 9.237 1.00 0.00 H new ATOM 1132 N GLU A 87 -6.813 7.337 10.639 1.00 0.00 N ATOM 1133 CA GLU A 87 -8.178 7.757 10.921 1.00 0.00 C ATOM 1134 C GLU A 87 -8.527 8.934 10.027 1.00 0.00 C ATOM 1135 O GLU A 87 -9.693 9.263 9.823 1.00 0.00 O ATOM 1136 CB GLU A 87 -8.354 8.147 12.393 1.00 0.00 C ATOM 1137 CG GLU A 87 -7.289 7.584 13.322 1.00 0.00 C ATOM 1138 CD GLU A 87 -7.379 6.079 13.485 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -8.466 5.515 13.262 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -6.352 5.456 13.826 1.00 0.00 O ATOM 0 H GLU A 87 -6.101 7.803 11.201 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.847 6.921 10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.350 9.234 12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.332 7.807 12.732 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.304 7.844 12.935 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.382 8.056 14.300 1.00 0.00 H new ATOM 1147 N ASP A 88 -7.491 9.557 9.488 1.00 0.00 N ATOM 1148 CA ASP A 88 -7.652 10.672 8.570 1.00 0.00 C ATOM 1149 C ASP A 88 -7.749 10.156 7.141 1.00 0.00 C ATOM 1150 O ASP A 88 -6.742 10.007 6.450 1.00 0.00 O ATOM 1151 CB ASP A 88 -6.482 11.650 8.704 1.00 0.00 C ATOM 1152 CG ASP A 88 -6.561 12.793 7.709 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -7.687 13.223 7.377 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -5.495 13.271 7.268 1.00 0.00 O ATOM 0 H ASP A 88 -6.520 9.305 9.674 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.572 11.202 8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.465 12.054 9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.545 11.112 8.560 1.00 0.00 H new ATOM 1159 N TYR A 89 -8.963 9.839 6.727 1.00 0.00 N ATOM 1160 CA TYR A 89 -9.209 9.370 5.373 1.00 0.00 C ATOM 1161 C TYR A 89 -10.300 10.204 4.724 1.00 0.00 C ATOM 1162 O TYR A 89 -11.043 9.730 3.862 1.00 0.00 O ATOM 1163 CB TYR A 89 -9.604 7.893 5.369 1.00 0.00 C ATOM 1164 CG TYR A 89 -10.443 7.457 6.554 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -11.762 7.869 6.694 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -9.913 6.619 7.524 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -12.526 7.462 7.770 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -10.669 6.209 8.604 1.00 0.00 C ATOM 1169 CZ TYR A 89 -11.976 6.631 8.721 1.00 0.00 C ATOM 1170 OH TYR A 89 -12.733 6.221 9.796 1.00 0.00 O ATOM 0 H TYR A 89 -9.797 9.898 7.311 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.288 9.478 4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.156 7.681 4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.697 7.289 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.197 8.518 5.949 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.891 6.281 7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -13.549 7.794 7.865 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.239 5.561 9.353 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.195 5.638 10.372 1.00 0.00 H new ATOM 1180 N TYR A 90 -10.403 11.446 5.158 1.00 0.00 N ATOM 1181 CA TYR A 90 -11.397 12.354 4.624 1.00 0.00 C ATOM 1182 C TYR A 90 -10.713 13.446 3.816 1.00 0.00 C ATOM 1183 O TYR A 90 -9.692 13.192 3.175 1.00 0.00 O ATOM 1184 CB TYR A 90 -12.246 12.946 5.754 1.00 0.00 C ATOM 1185 CG TYR A 90 -13.534 12.187 5.992 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -13.516 10.850 6.372 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -14.768 12.804 5.829 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -14.689 10.151 6.582 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -15.947 12.110 6.039 1.00 0.00 C ATOM 1190 CZ TYR A 90 -15.901 10.784 6.415 1.00 0.00 C ATOM 1191 OH TYR A 90 -17.070 10.086 6.624 1.00 0.00 O ATOM 0 H TYR A 90 -9.808 11.849 5.882 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.067 11.805 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.661 12.954 6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.482 13.984 5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.569 10.349 6.505 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -14.808 13.842 5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -14.656 9.112 6.876 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -16.898 12.605 5.909 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.836 10.676 6.466 1.00 0.00 H new ATOM 1201 N THR A 91 -11.255 14.659 3.863 1.00 0.00 N ATOM 1202 CA THR A 91 -10.725 15.763 3.073 1.00 0.00 C ATOM 1203 C THR A 91 -10.806 15.428 1.580 1.00 0.00 C ATOM 1204 O THR A 91 -9.795 15.433 0.873 1.00 0.00 O ATOM 1205 CB THR A 91 -9.268 16.089 3.472 1.00 0.00 C ATOM 1206 OG1 THR A 91 -9.082 15.861 4.881 1.00 0.00 O ATOM 1207 CG2 THR A 91 -8.922 17.533 3.144 1.00 0.00 C ATOM 0 H THR A 91 -12.061 14.901 4.440 1.00 0.00 H new ATOM 0 HA THR A 91 -11.332 16.646 3.274 1.00 0.00 H new ATOM 0 HB THR A 91 -8.607 15.435 2.903 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.156 16.068 5.126 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.891 17.735 3.435 1.00 0.00 H new ATOM 0 HG22 THR A 91 -9.036 17.700 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 91 -9.590 18.200 3.689 1.00 0.00 H new ATOM 1215 N SER A 92 -12.032 15.122 1.134 1.00 0.00 N ATOM 1216 CA SER A 92 -12.316 14.729 -0.248 1.00 0.00 C ATOM 1217 C SER A 92 -11.901 13.280 -0.513 1.00 0.00 C ATOM 1218 O SER A 92 -10.850 12.825 -0.061 1.00 0.00 O ATOM 1219 CB SER A 92 -11.637 15.670 -1.251 1.00 0.00 C ATOM 1220 OG SER A 92 -12.135 16.993 -1.128 1.00 0.00 O ATOM 0 H SER A 92 -12.860 15.141 1.730 1.00 0.00 H new ATOM 0 HA SER A 92 -13.394 14.806 -0.386 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.560 15.667 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.805 15.308 -2.265 1.00 0.00 H new ATOM 0 HG SER A 92 -11.685 17.574 -1.777 1.00 0.00 H new ATOM 1226 N GLY A 93 -12.747 12.559 -1.244 1.00 0.00 N ATOM 1227 CA GLY A 93 -12.458 11.176 -1.580 1.00 0.00 C ATOM 1228 C GLY A 93 -11.420 11.052 -2.681 1.00 0.00 C ATOM 1229 O GLY A 93 -11.728 10.607 -3.792 1.00 0.00 O ATOM 0 H GLY A 93 -13.631 12.910 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.104 10.655 -0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.377 10.682 -1.894 1.00 0.00 H new ATOM 1233 N LEU A 94 -10.198 11.453 -2.369 1.00 0.00 N ATOM 1234 CA LEU A 94 -9.100 11.408 -3.321 1.00 0.00 C ATOM 1235 C LEU A 94 -8.478 10.018 -3.365 1.00 0.00 C ATOM 1236 O LEU A 94 -8.704 9.197 -2.476 1.00 0.00 O ATOM 1237 CB LEU A 94 -8.035 12.438 -2.940 1.00 0.00 C ATOM 1238 CG LEU A 94 -8.200 13.817 -3.580 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -7.673 14.906 -2.655 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -7.487 13.868 -4.924 1.00 0.00 C ATOM 0 H LEU A 94 -9.940 11.818 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.495 11.643 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.039 12.556 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.057 12.043 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.263 13.994 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.800 15.879 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.226 14.885 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.615 14.734 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.614 14.856 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.425 13.669 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.910 13.116 -5.589 1.00 0.00 H new ATOM 1252 N SER A 95 -7.708 9.757 -4.410 1.00 0.00 N ATOM 1253 CA SER A 95 -6.987 8.502 -4.540 1.00 0.00 C ATOM 1254 C SER A 95 -5.650 8.576 -3.803 1.00 0.00 C ATOM 1255 O SER A 95 -5.218 9.657 -3.399 1.00 0.00 O ATOM 1256 CB SER A 95 -6.770 8.189 -6.019 1.00 0.00 C ATOM 1257 OG SER A 95 -7.681 8.920 -6.824 1.00 0.00 O ATOM 0 H SER A 95 -7.566 10.404 -5.186 1.00 0.00 H new ATOM 0 HA SER A 95 -7.576 7.702 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.747 8.436 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.899 7.121 -6.193 1.00 0.00 H new ATOM 0 HG SER A 95 -7.526 8.708 -7.768 1.00 0.00 H new ATOM 1263 N TRP A 96 -4.996 7.431 -3.651 1.00 0.00 N ATOM 1264 CA TRP A 96 -3.773 7.326 -2.868 1.00 0.00 C ATOM 1265 C TRP A 96 -2.837 6.325 -3.529 1.00 0.00 C ATOM 1266 O TRP A 96 -3.233 5.616 -4.457 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.063 6.847 -1.432 1.00 0.00 C ATOM 1268 CG TRP A 96 -4.940 7.758 -0.623 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -6.303 7.814 -0.652 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -4.520 8.723 0.350 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -6.756 8.765 0.229 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -5.679 9.335 0.861 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -3.275 9.131 0.836 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -5.627 10.334 1.833 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -3.223 10.119 1.799 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -4.394 10.712 2.291 1.00 0.00 C ATOM 0 H TRP A 96 -5.299 6.550 -4.067 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.317 8.315 -2.823 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -4.533 5.865 -1.481 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.115 6.721 -0.909 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -6.934 7.200 -1.277 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.734 9.008 0.388 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -2.367 8.680 0.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -6.528 10.793 2.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.265 10.440 2.179 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -4.322 11.481 3.045 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.598 6.292 -3.065 1.00 0.00 N ATOM 1288 CA ILE A 97 -0.645 5.271 -3.465 1.00 0.00 C ATOM 1289 C ILE A 97 0.145 4.819 -2.248 1.00 0.00 C ATOM 1290 O ILE A 97 0.475 5.631 -1.375 1.00 0.00 O ATOM 1291 CB ILE A 97 0.345 5.761 -4.545 1.00 0.00 C ATOM 1292 CG1 ILE A 97 1.115 6.979 -4.051 1.00 0.00 C ATOM 1293 CG2 ILE A 97 -0.371 6.072 -5.847 1.00 0.00 C ATOM 1294 CD1 ILE A 97 2.613 6.784 -4.067 1.00 0.00 C ATOM 0 H ILE A 97 -1.226 6.971 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.219 4.449 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 97 1.055 4.957 -4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.860 7.838 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.797 7.214 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.352 6.414 -6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.867 5.173 -6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.113 6.852 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.102 7.688 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.878 5.945 -3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.942 6.578 -5.085 1.00 0.00 H new ATOM 1306 N TRP A 98 0.446 3.536 -2.172 1.00 0.00 N ATOM 1307 CA TRP A 98 1.203 3.023 -1.039 1.00 0.00 C ATOM 1308 C TRP A 98 2.683 2.928 -1.396 1.00 0.00 C ATOM 1309 O TRP A 98 3.155 1.906 -1.883 1.00 0.00 O ATOM 1310 CB TRP A 98 0.643 1.670 -0.604 1.00 0.00 C ATOM 1311 CG TRP A 98 -0.725 1.767 0.001 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -1.915 1.619 -0.648 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -1.045 2.046 1.368 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -2.957 1.783 0.230 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -2.450 2.044 1.477 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -0.284 2.293 2.510 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -3.101 2.281 2.685 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -0.932 2.526 3.706 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -2.329 2.517 3.786 1.00 0.00 C ATOM 0 H TRP A 98 0.184 2.837 -2.868 1.00 0.00 H new ATOM 0 HA TRP A 98 1.106 3.711 -0.199 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.606 1.005 -1.466 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.322 1.218 0.119 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.022 1.404 -1.701 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -3.947 1.721 -0.007 1.00 0.00 H new ATOM 0 HE3 TRP A 98 0.795 2.302 2.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -4.179 2.278 2.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -0.351 2.719 4.596 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -2.806 2.700 4.737 1.00 0.00 H new ATOM 1330 N LYS A 99 3.409 4.009 -1.146 1.00 0.00 N ATOM 1331 CA LYS A 99 4.781 4.149 -1.624 1.00 0.00 C ATOM 1332 C LYS A 99 5.780 3.396 -0.747 1.00 0.00 C ATOM 1333 O LYS A 99 5.929 3.686 0.435 1.00 0.00 O ATOM 1334 CB LYS A 99 5.162 5.630 -1.683 1.00 0.00 C ATOM 1335 CG LYS A 99 5.951 6.014 -2.921 1.00 0.00 C ATOM 1336 CD LYS A 99 6.485 7.435 -2.815 1.00 0.00 C ATOM 1337 CE LYS A 99 7.808 7.474 -2.062 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.349 8.854 -1.934 1.00 0.00 N ATOM 0 H LYS A 99 3.069 4.808 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 99 4.824 3.711 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.253 6.231 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.748 5.880 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.781 5.320 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.315 5.926 -3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.620 7.850 -3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.755 8.063 -2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.670 7.048 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.535 6.848 -2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.328 8.877 -2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.766 9.509 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.332 9.142 -0.935 1.00 0.00 H new ATOM 1352 N ILE A 100 6.461 2.433 -1.349 1.00 0.00 N ATOM 1353 CA ILE A 100 7.537 1.706 -0.689 1.00 0.00 C ATOM 1354 C ILE A 100 8.874 2.295 -1.092 1.00 0.00 C ATOM 1355 O ILE A 100 9.217 2.336 -2.275 1.00 0.00 O ATOM 1356 CB ILE A 100 7.516 0.205 -1.046 1.00 0.00 C ATOM 1357 CG1 ILE A 100 6.114 -0.368 -0.848 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.524 -0.558 -0.200 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.475 -0.850 -2.128 1.00 0.00 C ATOM 0 H ILE A 100 6.284 2.133 -2.308 1.00 0.00 H new ATOM 0 HA ILE A 100 7.390 1.802 0.387 1.00 0.00 H new ATOM 0 HB ILE A 100 7.792 0.095 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.165 -1.197 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.478 0.395 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.496 -1.615 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.524 -0.165 -0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.276 -0.442 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.482 -1.244 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.392 -0.019 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.089 -1.636 -2.568 1.00 0.00 H new ATOM 1371 N LYS A 101 9.603 2.785 -0.107 1.00 0.00 N ATOM 1372 CA LYS A 101 10.931 3.315 -0.333 1.00 0.00 C ATOM 1373 C LYS A 101 11.898 2.668 0.650 1.00 0.00 C ATOM 1374 O LYS A 101 11.588 2.525 1.835 1.00 0.00 O ATOM 1375 CB LYS A 101 10.914 4.846 -0.207 1.00 0.00 C ATOM 1376 CG LYS A 101 12.006 5.431 0.676 1.00 0.00 C ATOM 1377 CD LYS A 101 11.431 6.428 1.665 1.00 0.00 C ATOM 1378 CE LYS A 101 12.529 7.150 2.422 1.00 0.00 C ATOM 1379 NZ LYS A 101 12.517 8.608 2.150 1.00 0.00 N ATOM 0 H LYS A 101 9.293 2.826 0.864 1.00 0.00 H new ATOM 0 HA LYS A 101 11.267 3.080 -1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.003 5.278 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.945 5.152 0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.511 4.629 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.757 5.921 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.814 7.154 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.780 5.910 2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.407 6.979 3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.497 6.736 2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.151 9.091 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.841 8.782 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.550 8.974 2.264 1.00 0.00 H new ATOM 1393 N ASN A 102 13.048 2.250 0.150 1.00 0.00 N ATOM 1394 CA ASN A 102 14.008 1.501 0.960 1.00 0.00 C ATOM 1395 C ASN A 102 15.309 2.293 1.110 1.00 0.00 C ATOM 1396 O ASN A 102 15.501 3.308 0.443 1.00 0.00 O ATOM 1397 CB ASN A 102 14.228 0.123 0.324 1.00 0.00 C ATOM 1398 CG ASN A 102 15.189 -0.786 1.088 1.00 0.00 C ATOM 1399 OD1 ASN A 102 15.351 -0.678 2.303 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.838 -1.689 0.363 1.00 0.00 N ATOM 0 H ASN A 102 13.345 2.414 -0.812 1.00 0.00 H new ATOM 0 HA ASN A 102 13.618 1.349 1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 102 13.265 -0.380 0.237 1.00 0.00 H new ATOM 0 HB3 ASN A 102 14.608 0.261 -0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 102 16.498 -2.324 0.811 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.677 -1.748 -0.642 1.00 0.00 H new ATOM 1407 N ASN A 103 16.189 1.840 1.996 1.00 0.00 N ATOM 1408 CA ASN A 103 17.350 2.633 2.389 1.00 0.00 C ATOM 1409 C ASN A 103 18.638 2.210 1.682 1.00 0.00 C ATOM 1410 O ASN A 103 19.396 3.063 1.220 1.00 0.00 O ATOM 1411 CB ASN A 103 17.557 2.550 3.901 1.00 0.00 C ATOM 1412 CG ASN A 103 16.805 3.627 4.652 1.00 0.00 C ATOM 1413 OD1 ASN A 103 17.257 4.767 4.748 1.00 0.00 O ATOM 1414 ND2 ASN A 103 15.653 3.272 5.196 1.00 0.00 N ATOM 0 H ASN A 103 16.122 0.931 2.455 1.00 0.00 H new ATOM 0 HA ASN A 103 17.136 3.658 2.087 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.233 1.572 4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.621 2.633 4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.104 3.955 5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.314 2.316 5.093 1.00 0.00 H new ATOM 1421 N SER A 104 18.897 0.908 1.603 1.00 0.00 N ATOM 1422 CA SER A 104 20.195 0.424 1.130 1.00 0.00 C ATOM 1423 C SER A 104 20.119 -1.024 0.647 1.00 0.00 C ATOM 1424 O SER A 104 19.216 -1.758 1.046 1.00 0.00 O ATOM 1425 CB SER A 104 21.215 0.519 2.267 1.00 0.00 C ATOM 1426 OG SER A 104 21.897 1.765 2.256 1.00 0.00 O ATOM 0 H SER A 104 18.235 0.174 1.857 1.00 0.00 H new ATOM 0 HA SER A 104 20.498 1.047 0.288 1.00 0.00 H new ATOM 0 HB2 SER A 104 20.708 0.390 3.223 1.00 0.00 H new ATOM 0 HB3 SER A 104 21.937 -0.292 2.177 1.00 0.00 H new ATOM 0 HG SER A 104 21.288 2.468 1.948 1.00 0.00 H new ATOM 1432 N SER A 105 21.081 -1.405 -0.212 1.00 0.00 N ATOM 1433 CA SER A 105 21.251 -2.790 -0.688 1.00 0.00 C ATOM 1434 C SER A 105 19.985 -3.310 -1.353 1.00 0.00 C ATOM 1435 O SER A 105 19.023 -3.678 -0.672 1.00 0.00 O ATOM 1436 CB SER A 105 21.657 -3.721 0.461 1.00 0.00 C ATOM 1437 OG SER A 105 22.189 -2.996 1.560 1.00 0.00 O ATOM 0 H SER A 105 21.767 -0.756 -0.598 1.00 0.00 H new ATOM 0 HA SER A 105 22.049 -2.779 -1.430 1.00 0.00 H new ATOM 0 HB2 SER A 105 20.790 -4.295 0.789 1.00 0.00 H new ATOM 0 HB3 SER A 105 22.397 -4.438 0.105 1.00 0.00 H new ATOM 0 HG SER A 105 21.827 -3.357 2.396 1.00 0.00 H new ATOM 1443 N GLU A 106 19.973 -3.378 -2.680 1.00 0.00 N ATOM 1444 CA GLU A 106 18.722 -3.655 -3.353 1.00 0.00 C ATOM 1445 C GLU A 106 18.410 -5.141 -3.396 1.00 0.00 C ATOM 1446 O GLU A 106 18.446 -5.772 -4.451 1.00 0.00 O ATOM 1447 CB GLU A 106 18.773 -3.115 -4.788 1.00 0.00 C ATOM 1448 CG GLU A 106 20.001 -2.281 -5.104 1.00 0.00 C ATOM 1449 CD GLU A 106 21.106 -3.093 -5.742 1.00 0.00 C ATOM 1450 OE1 GLU A 106 21.060 -3.302 -6.971 1.00 0.00 O ATOM 1451 OE2 GLU A 106 22.025 -3.519 -5.016 1.00 0.00 O ATOM 0 H GLU A 106 20.784 -3.250 -3.286 1.00 0.00 H new ATOM 0 HA GLU A 106 17.934 -3.160 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 106 18.732 -3.956 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 106 17.883 -2.511 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 106 19.721 -1.467 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 106 20.373 -1.826 -4.186 1.00 0.00 H new ATOM 1458 N THR A 107 18.111 -5.692 -2.234 1.00 0.00 N ATOM 1459 CA THR A 107 17.253 -6.844 -2.107 1.00 0.00 C ATOM 1460 C THR A 107 16.081 -6.497 -1.200 1.00 0.00 C ATOM 1461 O THR A 107 16.227 -6.566 0.015 1.00 0.00 O ATOM 1462 CB THR A 107 18.008 -8.071 -1.575 1.00 0.00 C ATOM 1463 OG1 THR A 107 19.404 -7.761 -1.434 1.00 0.00 O ATOM 1464 CG2 THR A 107 17.832 -9.245 -2.523 1.00 0.00 C ATOM 0 H THR A 107 18.465 -5.343 -1.343 1.00 0.00 H new ATOM 0 HA THR A 107 16.886 -7.109 -3.099 1.00 0.00 H new ATOM 0 HB THR A 107 17.601 -8.341 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 107 19.881 -8.546 -1.093 1.00 0.00 H new ATOM 0 HG21 THR A 107 18.372 -10.109 -2.136 1.00 0.00 H new ATOM 0 HG22 THR A 107 16.773 -9.487 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 107 18.225 -8.982 -3.505 1.00 0.00 H new ATOM 1472 N SER A 108 14.937 -6.112 -1.732 1.00 0.00 N ATOM 1473 CA SER A 108 13.849 -5.713 -0.854 1.00 0.00 C ATOM 1474 C SER A 108 12.506 -6.294 -1.289 1.00 0.00 C ATOM 1475 O SER A 108 11.842 -5.767 -2.169 1.00 0.00 O ATOM 1476 CB SER A 108 13.795 -4.188 -0.773 1.00 0.00 C ATOM 1477 OG SER A 108 14.927 -3.612 -1.417 1.00 0.00 O ATOM 0 H SER A 108 14.737 -6.066 -2.731 1.00 0.00 H new ATOM 0 HA SER A 108 14.047 -6.120 0.138 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.880 -3.826 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.765 -3.875 0.271 1.00 0.00 H new ATOM 0 HG SER A 108 15.741 -3.859 -0.930 1.00 0.00 H new ATOM 1483 N ASN A 109 12.116 -7.396 -0.666 1.00 0.00 N ATOM 1484 CA ASN A 109 10.806 -7.981 -0.910 1.00 0.00 C ATOM 1485 C ASN A 109 9.824 -7.475 0.133 1.00 0.00 C ATOM 1486 O ASN A 109 10.088 -7.566 1.332 1.00 0.00 O ATOM 1487 CB ASN A 109 10.887 -9.510 -0.867 1.00 0.00 C ATOM 1488 CG ASN A 109 9.603 -10.174 -1.334 1.00 0.00 C ATOM 1489 OD1 ASN A 109 9.030 -9.798 -2.353 1.00 0.00 O ATOM 1490 ND2 ASN A 109 9.144 -11.168 -0.589 1.00 0.00 N ATOM 0 H ASN A 109 12.687 -7.902 0.011 1.00 0.00 H new ATOM 0 HA ASN A 109 10.462 -7.685 -1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.714 -9.845 -1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.108 -9.830 0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.286 -11.650 -0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.649 -11.451 0.251 1.00 0.00 H new ATOM 1497 N TYR A 110 8.710 -6.918 -0.310 1.00 0.00 N ATOM 1498 CA TYR A 110 7.725 -6.387 0.615 1.00 0.00 C ATOM 1499 C TYR A 110 6.445 -7.206 0.567 1.00 0.00 C ATOM 1500 O TYR A 110 5.924 -7.508 -0.506 1.00 0.00 O ATOM 1501 CB TYR A 110 7.422 -4.905 0.329 1.00 0.00 C ATOM 1502 CG TYR A 110 7.057 -4.583 -1.111 1.00 0.00 C ATOM 1503 CD1 TYR A 110 5.752 -4.724 -1.571 1.00 0.00 C ATOM 1504 CD2 TYR A 110 8.019 -4.130 -2.005 1.00 0.00 C ATOM 1505 CE1 TYR A 110 5.419 -4.423 -2.879 1.00 0.00 C ATOM 1506 CE2 TYR A 110 7.692 -3.825 -3.314 1.00 0.00 C ATOM 1507 CZ TYR A 110 6.392 -3.975 -3.747 1.00 0.00 C ATOM 1508 OH TYR A 110 6.066 -3.676 -5.053 1.00 0.00 O ATOM 0 H TYR A 110 8.467 -6.822 -1.296 1.00 0.00 H new ATOM 0 HA TYR A 110 8.148 -6.455 1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.603 -4.588 0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.294 -4.313 0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 110 4.986 -5.074 -0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.040 -4.014 -1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.401 -4.538 -3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.452 -3.471 -3.994 1.00 0.00 H new ATOM 0 HH TYR A 110 6.867 -3.373 -5.529 1.00 0.00 H new ATOM 1518 N SER A 111 5.962 -7.593 1.729 1.00 0.00 N ATOM 1519 CA SER A 111 4.682 -8.259 1.830 1.00 0.00 C ATOM 1520 C SER A 111 3.637 -7.273 2.334 1.00 0.00 C ATOM 1521 O SER A 111 3.547 -7.012 3.531 1.00 0.00 O ATOM 1522 CB SER A 111 4.792 -9.461 2.769 1.00 0.00 C ATOM 1523 OG SER A 111 6.062 -9.495 3.403 1.00 0.00 O ATOM 0 H SER A 111 6.439 -7.457 2.620 1.00 0.00 H new ATOM 0 HA SER A 111 4.378 -8.620 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.006 -9.412 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.637 -10.382 2.207 1.00 0.00 H new ATOM 0 HG SER A 111 6.081 -10.223 4.058 1.00 0.00 H new ATOM 1529 N LEU A 112 2.885 -6.684 1.418 1.00 0.00 N ATOM 1530 CA LEU A 112 1.884 -5.694 1.791 1.00 0.00 C ATOM 1531 C LEU A 112 0.519 -6.342 1.955 1.00 0.00 C ATOM 1532 O LEU A 112 -0.116 -6.718 0.974 1.00 0.00 O ATOM 1533 CB LEU A 112 1.808 -4.586 0.740 1.00 0.00 C ATOM 1534 CG LEU A 112 1.428 -3.208 1.283 1.00 0.00 C ATOM 1535 CD1 LEU A 112 2.259 -2.128 0.617 1.00 0.00 C ATOM 1536 CD2 LEU A 112 -0.055 -2.945 1.073 1.00 0.00 C ATOM 0 H LEU A 112 2.947 -6.871 0.417 1.00 0.00 H new ATOM 0 HA LEU A 112 2.181 -5.258 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.775 -4.510 0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.081 -4.874 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 112 1.633 -3.189 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.976 -1.154 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.316 -2.308 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.084 -2.145 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.309 -1.960 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.284 -2.982 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.637 -3.704 1.595 1.00 0.00 H new ATOM 1548 N ASP A 113 0.069 -6.460 3.194 1.00 0.00 N ATOM 1549 CA ASP A 113 -1.234 -7.049 3.475 1.00 0.00 C ATOM 1550 C ASP A 113 -2.274 -5.945 3.593 1.00 0.00 C ATOM 1551 O ASP A 113 -2.370 -5.288 4.630 1.00 0.00 O ATOM 1552 CB ASP A 113 -1.220 -7.862 4.778 1.00 0.00 C ATOM 1553 CG ASP A 113 -0.308 -9.071 4.736 1.00 0.00 C ATOM 1554 OD1 ASP A 113 -0.279 -9.776 3.708 1.00 0.00 O ATOM 1555 OD2 ASP A 113 0.377 -9.335 5.749 1.00 0.00 O ATOM 0 H ASP A 113 0.584 -6.157 4.021 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.480 -7.722 2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.909 -7.213 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.235 -8.192 5.000 1.00 0.00 H new ATOM 1560 N ALA A 114 -3.027 -5.718 2.527 1.00 0.00 N ATOM 1561 CA ALA A 114 -4.038 -4.675 2.525 1.00 0.00 C ATOM 1562 C ALA A 114 -5.437 -5.270 2.590 1.00 0.00 C ATOM 1563 O ALA A 114 -5.885 -5.942 1.660 1.00 0.00 O ATOM 1564 CB ALA A 114 -3.888 -3.797 1.292 1.00 0.00 C ATOM 0 H ALA A 114 -2.956 -6.242 1.655 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.894 -4.059 3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.652 -3.020 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.901 -3.335 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.004 -4.406 0.395 1.00 0.00 H new ATOM 1570 N THR A 115 -6.111 -5.042 3.701 1.00 0.00 N ATOM 1571 CA THR A 115 -7.481 -5.483 3.872 1.00 0.00 C ATOM 1572 C THR A 115 -8.224 -4.510 4.785 1.00 0.00 C ATOM 1573 O THR A 115 -7.647 -3.974 5.730 1.00 0.00 O ATOM 1574 CB THR A 115 -7.546 -6.931 4.423 1.00 0.00 C ATOM 1575 OG1 THR A 115 -8.788 -7.544 4.053 1.00 0.00 O ATOM 1576 CG2 THR A 115 -7.388 -6.976 5.939 1.00 0.00 C ATOM 0 H THR A 115 -5.726 -4.548 4.506 1.00 0.00 H new ATOM 0 HA THR A 115 -7.968 -5.492 2.897 1.00 0.00 H new ATOM 0 HB THR A 115 -6.714 -7.481 3.984 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.819 -8.458 4.404 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.440 -8.010 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.424 -6.550 6.217 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.187 -6.400 6.405 1.00 0.00 H new