USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=29 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 51 HIS : +bothHN:sc= 0.404! C(o=0.12!,f=-8.1!) USER MOD Set 1.2: A 111 SER OG : rot 180:sc= -0.287 USER MOD Set 2.1: A 53 THR OG1 : rot 77:sc= 1.07 USER MOD Set 2.2: A 109 ASN : amide:sc= 1.52 K(o=2.6,f=-6!) USER MOD Set 3.1: A 102 ASN : amide:sc= 3.02 K(o=4,f=-6.6!) USER MOD Set 3.2: A 108 SER OG : rot -146:sc= 1.01 USER MOD Set 4.1: A 76 LYS NZ :NH3+ -137:sc= 1.66 (180deg=0.202) USER MOD Set 4.2: A 78 ASN : amide:sc= -3.44! C(o=-2.6!,f=-6.8!) USER MOD Set 4.3: A 89 TYR OH : rot 54:sc= -0.821! USER MOD Set 5.1: A 52 SER OG : rot 17:sc= 0.228 USER MOD Set 5.2: A 59 MET CE :methyl -113:sc= -2.59 (180deg=-2.25!) USER MOD Single : A 20 THR OG1 : rot -54:sc= 1.09 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= -0.203 (180deg=-0.926) USER MOD Single : A 32 CYS SG : rot 18:sc= -0.0371 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.55 K(o=-0.55,f=-3.1!) USER MOD Single : A 56 ASN : amide:sc= 0.598 K(o=0.6,f=-0.094) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.076 USER MOD Single : A 66 ASN : amide:sc= 0.2 X(o=0.2,f=-0.034) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= -4.25! (180deg=-4.38!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 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= 0.00052 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -138:sc= 2.22 (180deg=1.84) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= 1.27 (180deg=1.21) USER MOD Single : A 103 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 104 SER OG : rot 36:sc= 0.424 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0316 USER MOD Single : A 107 THR OG1 : rot 77:sc= 1.31 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 -5.233 -3.623 -0.691 1.00 0.00 N ATOM 92 CA ALA A 19 -3.883 -3.264 -1.099 1.00 0.00 C ATOM 93 C ALA A 19 -2.978 -4.474 -0.896 1.00 0.00 C ATOM 94 O ALA A 19 -2.258 -4.575 0.099 1.00 0.00 O ATOM 95 CB ALA A 19 -3.373 -2.063 -0.311 1.00 0.00 C ATOM 0 HA ALA A 19 -3.884 -2.979 -2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.362 -1.817 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.028 -1.209 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.363 -2.303 0.752 1.00 0.00 H new ATOM 101 N THR A 20 -3.036 -5.403 -1.839 1.00 0.00 N ATOM 102 CA THR A 20 -2.345 -6.676 -1.700 1.00 0.00 C ATOM 103 C THR A 20 -1.120 -6.725 -2.599 1.00 0.00 C ATOM 104 O THR A 20 -1.226 -6.952 -3.803 1.00 0.00 O ATOM 105 CB THR A 20 -3.288 -7.845 -2.032 1.00 0.00 C ATOM 106 OG1 THR A 20 -4.648 -7.388 -1.997 1.00 0.00 O ATOM 107 CG2 THR A 20 -3.107 -8.984 -1.039 1.00 0.00 C ATOM 0 H THR A 20 -3.556 -5.298 -2.710 1.00 0.00 H new ATOM 0 HA THR A 20 -2.021 -6.771 -0.664 1.00 0.00 H new ATOM 0 HB THR A 20 -3.047 -8.214 -3.029 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.826 -6.956 -1.135 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.784 -9.800 -1.293 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.078 -9.341 -1.078 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.329 -8.628 -0.033 1.00 0.00 H new ATOM 115 N TYR A 21 0.043 -6.505 -2.016 1.00 0.00 N ATOM 116 CA TYR A 21 1.258 -6.381 -2.799 1.00 0.00 C ATOM 117 C TYR A 21 2.389 -7.203 -2.204 1.00 0.00 C ATOM 118 O TYR A 21 3.190 -6.705 -1.412 1.00 0.00 O ATOM 119 CB TYR A 21 1.651 -4.906 -2.914 1.00 0.00 C ATOM 120 CG TYR A 21 0.574 -4.066 -3.560 1.00 0.00 C ATOM 121 CD1 TYR A 21 0.274 -4.219 -4.906 1.00 0.00 C ATOM 122 CD2 TYR A 21 -0.168 -3.148 -2.825 1.00 0.00 C ATOM 123 CE1 TYR A 21 -0.722 -3.482 -5.503 1.00 0.00 C ATOM 124 CE2 TYR A 21 -1.175 -2.409 -3.418 1.00 0.00 C ATOM 125 CZ TYR A 21 -1.445 -2.582 -4.758 1.00 0.00 C ATOM 126 OH TYR A 21 -2.448 -1.858 -5.359 1.00 0.00 O ATOM 0 H TYR A 21 0.172 -6.409 -1.009 1.00 0.00 H new ATOM 0 HA TYR A 21 1.067 -6.774 -3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.866 -4.513 -1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.569 -4.823 -3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.833 -4.930 -5.496 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.045 -3.010 -1.775 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.935 -3.610 -6.554 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.746 -1.701 -2.835 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.865 -1.266 -4.699 1.00 0.00 H new ATOM 136 N THR A 22 2.426 -8.471 -2.576 1.00 0.00 N ATOM 137 CA THR A 22 3.492 -9.369 -2.172 1.00 0.00 C ATOM 138 C THR A 22 4.549 -9.465 -3.270 1.00 0.00 C ATOM 139 O THR A 22 4.398 -10.232 -4.220 1.00 0.00 O ATOM 140 CB THR A 22 2.928 -10.774 -1.882 1.00 0.00 C ATOM 141 OG1 THR A 22 1.504 -10.775 -2.076 1.00 0.00 O ATOM 142 CG2 THR A 22 3.250 -11.210 -0.461 1.00 0.00 C ATOM 0 H THR A 22 1.717 -8.906 -3.167 1.00 0.00 H new ATOM 0 HA THR A 22 3.949 -8.971 -1.266 1.00 0.00 H new ATOM 0 HB THR A 22 3.394 -11.478 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.149 -11.670 -1.892 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.840 -12.204 -0.284 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.331 -11.233 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.810 -10.505 0.244 1.00 0.00 H new ATOM 150 N GLY A 23 5.611 -8.678 -3.151 1.00 0.00 N ATOM 151 CA GLY A 23 6.626 -8.659 -4.187 1.00 0.00 C ATOM 152 C GLY A 23 7.991 -8.247 -3.673 1.00 0.00 C ATOM 153 O GLY A 23 8.257 -8.300 -2.472 1.00 0.00 O ATOM 0 H GLY A 23 5.787 -8.057 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.697 -9.650 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.319 -7.973 -4.976 1.00 0.00 H new ATOM 157 N THR A 24 8.856 -7.830 -4.586 1.00 0.00 N ATOM 158 CA THR A 24 10.203 -7.413 -4.236 1.00 0.00 C ATOM 159 C THR A 24 10.505 -6.023 -4.794 1.00 0.00 C ATOM 160 O THR A 24 10.111 -5.693 -5.914 1.00 0.00 O ATOM 161 CB THR A 24 11.243 -8.414 -4.773 1.00 0.00 C ATOM 162 OG1 THR A 24 10.576 -9.546 -5.345 1.00 0.00 O ATOM 163 CG2 THR A 24 12.175 -8.881 -3.668 1.00 0.00 C ATOM 0 H THR A 24 8.645 -7.772 -5.582 1.00 0.00 H new ATOM 0 HA THR A 24 10.265 -7.382 -3.148 1.00 0.00 H new ATOM 0 HB THR A 24 11.837 -7.910 -5.535 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.241 -10.179 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.898 -9.587 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.701 -8.023 -3.249 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.595 -9.369 -2.885 1.00 0.00 H new ATOM 171 N ILE A 25 11.187 -5.209 -4.002 1.00 0.00 N ATOM 172 CA ILE A 25 11.594 -3.879 -4.433 1.00 0.00 C ATOM 173 C ILE A 25 13.106 -3.855 -4.637 1.00 0.00 C ATOM 174 O ILE A 25 13.854 -4.439 -3.849 1.00 0.00 O ATOM 175 CB ILE A 25 11.160 -2.780 -3.418 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.925 -1.472 -3.647 1.00 0.00 C ATOM 177 CG2 ILE A 25 11.358 -3.252 -1.986 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.460 -0.696 -4.859 1.00 0.00 C ATOM 0 H ILE A 25 11.472 -5.448 -3.052 1.00 0.00 H new ATOM 0 HA ILE A 25 11.093 -3.657 -5.375 1.00 0.00 H new ATOM 0 HB ILE A 25 10.099 -2.590 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.822 -0.843 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.986 -1.697 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.047 -2.466 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.758 -4.145 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.410 -3.483 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.048 0.217 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.589 -1.306 -5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.407 -0.438 -4.744 1.00 0.00 H new ATOM 190 N GLN A 26 13.542 -3.208 -5.714 1.00 0.00 N ATOM 191 CA GLN A 26 14.960 -3.120 -6.040 1.00 0.00 C ATOM 192 C GLN A 26 15.717 -2.373 -4.948 1.00 0.00 C ATOM 193 O GLN A 26 15.126 -1.607 -4.188 1.00 0.00 O ATOM 194 CB GLN A 26 15.148 -2.414 -7.385 1.00 0.00 C ATOM 195 CG GLN A 26 14.956 -3.327 -8.588 1.00 0.00 C ATOM 196 CD GLN A 26 15.904 -4.510 -8.578 1.00 0.00 C ATOM 197 OE1 GLN A 26 16.980 -4.454 -7.985 1.00 0.00 O ATOM 198 NE2 GLN A 26 15.518 -5.586 -9.244 1.00 0.00 N ATOM 0 H GLN A 26 12.929 -2.735 -6.378 1.00 0.00 H new ATOM 0 HA GLN A 26 15.361 -4.131 -6.110 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.442 -1.586 -7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.149 -1.984 -7.423 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.928 -3.690 -8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.106 -2.753 -9.503 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.618 -5.593 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.121 -6.408 -9.278 1.00 0.00 H new ATOM 207 N GLY A 27 17.020 -2.605 -4.873 1.00 0.00 N ATOM 208 CA GLY A 27 17.828 -1.976 -3.851 1.00 0.00 C ATOM 209 C GLY A 27 17.850 -0.467 -3.963 1.00 0.00 C ATOM 210 O GLY A 27 18.192 0.079 -5.017 1.00 0.00 O ATOM 0 H GLY A 27 17.532 -3.220 -5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.446 -2.257 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.848 -2.355 -3.917 1.00 0.00 H new ATOM 214 N LYS A 28 17.485 0.196 -2.867 1.00 0.00 N ATOM 215 CA LYS A 28 17.440 1.652 -2.804 1.00 0.00 C ATOM 216 C LYS A 28 16.519 2.217 -3.877 1.00 0.00 C ATOM 217 O LYS A 28 16.922 3.061 -4.683 1.00 0.00 O ATOM 218 CB LYS A 28 18.845 2.244 -2.941 1.00 0.00 C ATOM 219 CG LYS A 28 19.318 2.968 -1.696 1.00 0.00 C ATOM 220 CD LYS A 28 20.801 2.748 -1.454 1.00 0.00 C ATOM 221 CE LYS A 28 21.421 3.909 -0.694 1.00 0.00 C ATOM 222 NZ LYS A 28 21.278 5.198 -1.424 1.00 0.00 N ATOM 0 H LYS A 28 17.212 -0.263 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 28 17.040 1.932 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.547 1.444 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.859 2.937 -3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.119 4.035 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.752 2.618 -0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.946 1.825 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 28 21.312 2.623 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.949 3.993 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.478 3.706 -0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.079 5.819 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.265 5.017 -2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.390 5.660 -1.142 1.00 0.00 H new ATOM 236 N GLY A 29 15.281 1.755 -3.882 1.00 0.00 N ATOM 237 CA GLY A 29 14.332 2.197 -4.871 1.00 0.00 C ATOM 238 C GLY A 29 13.037 2.669 -4.248 1.00 0.00 C ATOM 239 O GLY A 29 12.853 2.589 -3.030 1.00 0.00 O ATOM 0 H GLY A 29 14.917 1.077 -3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.769 3.007 -5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.124 1.381 -5.563 1.00 0.00 H new ATOM 243 N GLU A 30 12.143 3.164 -5.083 1.00 0.00 N ATOM 244 CA GLU A 30 10.851 3.632 -4.632 1.00 0.00 C ATOM 245 C GLU A 30 9.744 3.017 -5.476 1.00 0.00 C ATOM 246 O GLU A 30 9.829 2.996 -6.705 1.00 0.00 O ATOM 247 CB GLU A 30 10.784 5.155 -4.716 1.00 0.00 C ATOM 248 CG GLU A 30 10.528 5.827 -3.381 1.00 0.00 C ATOM 249 CD GLU A 30 11.397 7.050 -3.174 1.00 0.00 C ATOM 250 OE1 GLU A 30 12.628 6.951 -3.354 1.00 0.00 O ATOM 251 OE2 GLU A 30 10.854 8.121 -2.835 1.00 0.00 O ATOM 0 H GLU A 30 12.293 3.252 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 30 10.714 3.328 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.721 5.529 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.995 5.438 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.479 6.115 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.712 5.114 -2.577 1.00 0.00 H new ATOM 258 N VAL A 31 8.729 2.490 -4.814 1.00 0.00 N ATOM 259 CA VAL A 31 7.551 1.979 -5.497 1.00 0.00 C ATOM 260 C VAL A 31 6.305 2.627 -4.927 1.00 0.00 C ATOM 261 O VAL A 31 6.336 3.206 -3.842 1.00 0.00 O ATOM 262 CB VAL A 31 7.409 0.443 -5.410 1.00 0.00 C ATOM 263 CG1 VAL A 31 7.917 -0.209 -6.683 1.00 0.00 C ATOM 264 CG2 VAL A 31 8.130 -0.113 -4.194 1.00 0.00 C ATOM 0 H VAL A 31 8.696 2.404 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 31 7.673 2.230 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 31 6.350 0.210 -5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.810 -1.291 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.339 0.153 -7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.968 0.042 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.010 -1.196 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.190 0.133 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.708 0.325 -3.289 1.00 0.00 H new ATOM 274 N CYS A 32 5.215 2.538 -5.661 1.00 0.00 N ATOM 275 CA CYS A 32 4.006 3.246 -5.305 1.00 0.00 C ATOM 276 C CYS A 32 2.773 2.428 -5.694 1.00 0.00 C ATOM 277 O CYS A 32 2.656 1.991 -6.839 1.00 0.00 O ATOM 278 CB CYS A 32 4.024 4.608 -6.010 1.00 0.00 C ATOM 279 SG CYS A 32 3.654 4.541 -7.800 1.00 0.00 S ATOM 0 H CYS A 32 5.143 1.979 -6.511 1.00 0.00 H new ATOM 0 HA CYS A 32 3.959 3.399 -4.227 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.299 5.263 -5.526 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.005 5.062 -5.872 1.00 0.00 H new ATOM 0 HG CYS A 32 3.079 3.410 -8.082 1.00 0.00 H new ATOM 284 N ILE A 33 1.870 2.177 -4.735 1.00 0.00 N ATOM 285 CA ILE A 33 0.662 1.394 -5.024 1.00 0.00 C ATOM 286 C ILE A 33 -0.477 1.645 -4.020 1.00 0.00 C ATOM 287 O ILE A 33 -0.494 1.055 -2.951 1.00 0.00 O ATOM 288 CB ILE A 33 0.964 -0.128 -5.043 1.00 0.00 C ATOM 289 CG1 ILE A 33 2.251 -0.443 -4.254 1.00 0.00 C ATOM 290 CG2 ILE A 33 1.055 -0.633 -6.479 1.00 0.00 C ATOM 291 CD1 ILE A 33 3.013 -1.663 -4.742 1.00 0.00 C ATOM 0 H ILE A 33 1.951 2.498 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 33 0.336 1.729 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 33 0.143 -0.651 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.911 0.423 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.991 -0.589 -3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.267 -1.702 -6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.109 -0.452 -6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.854 -0.106 -7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.902 -1.806 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.375 -2.544 -4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.309 -1.516 -5.781 1.00 0.00 H new ATOM 476 N LEU A 46 -7.895 1.872 6.535 1.00 0.00 N ATOM 477 CA LEU A 46 -6.671 1.546 5.823 1.00 0.00 C ATOM 478 C LEU A 46 -5.797 0.601 6.633 1.00 0.00 C ATOM 479 O LEU A 46 -4.810 1.015 7.236 1.00 0.00 O ATOM 480 CB LEU A 46 -5.898 2.823 5.504 1.00 0.00 C ATOM 481 CG LEU A 46 -6.257 3.478 4.175 1.00 0.00 C ATOM 482 CD1 LEU A 46 -6.259 4.991 4.318 1.00 0.00 C ATOM 483 CD2 LEU A 46 -5.286 3.035 3.092 1.00 0.00 C ATOM 0 HA LEU A 46 -6.943 1.044 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.069 3.543 6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.832 2.594 5.503 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.259 3.163 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.517 5.446 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.992 5.284 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.269 5.329 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.553 3.510 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.273 3.326 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.335 1.952 2.980 1.00 0.00 H new ATOM 495 N TYR A 47 -6.176 -0.666 6.655 1.00 0.00 N ATOM 496 CA TYR A 47 -5.383 -1.682 7.318 1.00 0.00 C ATOM 497 C TYR A 47 -4.449 -2.355 6.320 1.00 0.00 C ATOM 498 O TYR A 47 -4.893 -3.063 5.416 1.00 0.00 O ATOM 499 CB TYR A 47 -6.285 -2.721 7.993 1.00 0.00 C ATOM 500 CG TYR A 47 -5.517 -3.869 8.609 1.00 0.00 C ATOM 501 CD1 TYR A 47 -4.550 -3.641 9.580 1.00 0.00 C ATOM 502 CD2 TYR A 47 -5.747 -5.180 8.207 1.00 0.00 C ATOM 503 CE1 TYR A 47 -3.837 -4.685 10.134 1.00 0.00 C ATOM 504 CE2 TYR A 47 -5.036 -6.228 8.754 1.00 0.00 C ATOM 505 CZ TYR A 47 -4.083 -5.976 9.717 1.00 0.00 C ATOM 506 OH TYR A 47 -3.370 -7.017 10.264 1.00 0.00 O ATOM 0 H TYR A 47 -7.030 -1.014 6.220 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.783 -1.201 8.090 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.876 -2.231 8.767 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.987 -3.115 7.258 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.353 -2.631 9.907 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.495 -5.381 7.454 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.090 -4.492 10.890 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.225 -7.241 8.429 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.665 -7.861 9.863 1.00 0.00 H new ATOM 516 N ALA A 48 -3.160 -2.106 6.478 1.00 0.00 N ATOM 517 CA ALA A 48 -2.145 -2.697 5.624 1.00 0.00 C ATOM 518 C ALA A 48 -0.896 -3.034 6.428 1.00 0.00 C ATOM 519 O ALA A 48 -0.075 -2.154 6.721 1.00 0.00 O ATOM 520 CB ALA A 48 -1.797 -1.755 4.477 1.00 0.00 C ATOM 0 H ALA A 48 -2.789 -1.489 7.201 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.546 -3.620 5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.035 -2.214 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.690 -1.560 3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.417 -0.816 4.880 1.00 0.00 H new ATOM 526 N VAL A 49 -0.750 -4.294 6.810 1.00 0.00 N ATOM 527 CA VAL A 49 0.459 -4.720 7.492 1.00 0.00 C ATOM 528 C VAL A 49 1.524 -5.044 6.455 1.00 0.00 C ATOM 529 O VAL A 49 1.272 -5.766 5.498 1.00 0.00 O ATOM 530 CB VAL A 49 0.233 -5.923 8.443 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.543 -7.033 7.758 1.00 0.00 C ATOM 532 CG2 VAL A 49 1.565 -6.443 8.978 1.00 0.00 C ATOM 0 H VAL A 49 -1.443 -5.028 6.662 1.00 0.00 H new ATOM 0 HA VAL A 49 0.788 -3.898 8.128 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.365 -5.574 9.285 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.684 -7.861 8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.515 -6.655 7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.012 -7.381 6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.385 -7.287 9.644 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.191 -6.764 8.146 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.071 -5.649 9.527 1.00 0.00 H new ATOM 542 N LEU A 50 2.703 -4.487 6.635 1.00 0.00 N ATOM 543 CA LEU A 50 3.745 -4.601 5.639 1.00 0.00 C ATOM 544 C LEU A 50 4.985 -5.211 6.256 1.00 0.00 C ATOM 545 O LEU A 50 5.405 -4.800 7.336 1.00 0.00 O ATOM 546 CB LEU A 50 4.059 -3.223 5.048 1.00 0.00 C ATOM 547 CG LEU A 50 5.451 -3.071 4.441 1.00 0.00 C ATOM 548 CD1 LEU A 50 5.350 -2.823 2.945 1.00 0.00 C ATOM 549 CD2 LEU A 50 6.205 -1.942 5.128 1.00 0.00 C ATOM 0 H LEU A 50 2.963 -3.951 7.463 1.00 0.00 H new ATOM 0 HA LEU A 50 3.401 -5.252 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.320 -3.000 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.940 -2.475 5.832 1.00 0.00 H new ATOM 0 HG LEU A 50 6.006 -3.996 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.350 -2.717 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.845 -3.664 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.782 -1.910 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.196 -1.844 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.657 -1.008 5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.302 -2.163 6.191 1.00 0.00 H new ATOM 561 N HIS A 51 5.542 -6.200 5.579 1.00 0.00 N ATOM 562 CA HIS A 51 6.763 -6.858 6.030 1.00 0.00 C ATOM 563 C HIS A 51 7.892 -6.557 5.055 1.00 0.00 C ATOM 564 O HIS A 51 7.636 -6.168 3.917 1.00 0.00 O ATOM 565 CB HIS A 51 6.575 -8.379 6.125 1.00 0.00 C ATOM 566 CG HIS A 51 5.223 -8.817 6.599 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.883 -8.912 7.932 1.00 0.00 N ATOM 568 CD2 HIS A 51 4.124 -9.191 5.905 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.630 -9.326 8.032 1.00 0.00 C ATOM 570 NE2 HIS A 51 3.148 -9.500 6.816 1.00 0.00 N ATOM 0 H HIS A 51 5.166 -6.570 4.706 1.00 0.00 H new ATOM 0 HA HIS A 51 7.006 -6.477 7.022 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.759 -8.816 5.143 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.329 -8.783 6.800 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.499 -8.697 8.716 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.032 -9.238 4.830 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.092 -9.493 8.954 1.00 0.00 H new ATOM 0 HE2 HIS A 51 2.204 -9.813 6.591 1.00 0.00 H new ATOM 579 N SER A 52 9.129 -6.736 5.497 1.00 0.00 N ATOM 580 CA SER A 52 10.279 -6.517 4.638 1.00 0.00 C ATOM 581 C SER A 52 11.424 -7.453 5.006 1.00 0.00 C ATOM 582 O SER A 52 12.163 -7.205 5.959 1.00 0.00 O ATOM 583 CB SER A 52 10.749 -5.065 4.717 1.00 0.00 C ATOM 584 OG SER A 52 11.390 -4.679 3.514 1.00 0.00 O ATOM 0 H SER A 52 9.359 -7.032 6.445 1.00 0.00 H new ATOM 0 HA SER A 52 9.970 -6.731 3.615 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.897 -4.412 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.435 -4.945 5.555 1.00 0.00 H new ATOM 0 HG SER A 52 11.159 -5.312 2.803 1.00 0.00 H new ATOM 590 N THR A 53 11.566 -8.524 4.246 1.00 0.00 N ATOM 591 CA THR A 53 12.655 -9.460 4.445 1.00 0.00 C ATOM 592 C THR A 53 13.786 -9.184 3.463 1.00 0.00 C ATOM 593 O THR A 53 13.576 -9.177 2.249 1.00 0.00 O ATOM 594 CB THR A 53 12.180 -10.913 4.286 1.00 0.00 C ATOM 595 OG1 THR A 53 10.802 -11.020 4.676 1.00 0.00 O ATOM 596 CG2 THR A 53 13.028 -11.845 5.133 1.00 0.00 C ATOM 0 H THR A 53 10.936 -8.767 3.481 1.00 0.00 H new ATOM 0 HA THR A 53 13.020 -9.324 5.463 1.00 0.00 H new ATOM 0 HB THR A 53 12.283 -11.201 3.240 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.232 -10.659 3.966 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.678 -12.870 5.008 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.069 -11.777 4.818 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.947 -11.559 6.182 1.00 0.00 H new ATOM 604 N ASN A 54 14.971 -8.922 4.000 1.00 0.00 N ATOM 605 CA ASN A 54 16.164 -8.680 3.195 1.00 0.00 C ATOM 606 C ASN A 54 17.368 -8.505 4.117 1.00 0.00 C ATOM 607 O ASN A 54 17.383 -9.054 5.218 1.00 0.00 O ATOM 608 CB ASN A 54 15.982 -7.454 2.276 1.00 0.00 C ATOM 609 CG ASN A 54 15.951 -6.134 3.020 1.00 0.00 C ATOM 610 OD1 ASN A 54 16.946 -5.413 3.057 1.00 0.00 O ATOM 611 ND2 ASN A 54 14.811 -5.803 3.604 1.00 0.00 N ATOM 0 H ASN A 54 15.133 -8.871 5.006 1.00 0.00 H new ATOM 0 HA ASN A 54 16.334 -9.540 2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 54 16.794 -7.432 1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.054 -7.566 1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 54 14.734 -4.920 4.109 1.00 0.00 H new ATOM 0 HD22 ASN A 54 14.009 -6.431 3.549 1.00 0.00 H new ATOM 618 N VAL A 55 18.364 -7.746 3.678 1.00 0.00 N ATOM 619 CA VAL A 55 19.550 -7.499 4.487 1.00 0.00 C ATOM 620 C VAL A 55 19.179 -6.673 5.709 1.00 0.00 C ATOM 621 O VAL A 55 19.428 -7.070 6.849 1.00 0.00 O ATOM 622 CB VAL A 55 20.639 -6.756 3.681 1.00 0.00 C ATOM 623 CG1 VAL A 55 21.870 -6.510 4.540 1.00 0.00 C ATOM 624 CG2 VAL A 55 21.004 -7.539 2.429 1.00 0.00 C ATOM 0 H VAL A 55 18.374 -7.291 2.765 1.00 0.00 H new ATOM 0 HA VAL A 55 19.949 -8.465 4.796 1.00 0.00 H new ATOM 0 HB VAL A 55 20.240 -5.789 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 55 22.624 -5.986 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 55 21.596 -5.904 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 55 22.273 -7.464 4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.772 -7.000 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.382 -8.522 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 55 20.120 -7.657 1.803 1.00 0.00 H new ATOM 634 N ASN A 56 18.556 -5.537 5.456 1.00 0.00 N ATOM 635 CA ASN A 56 18.128 -4.643 6.513 1.00 0.00 C ATOM 636 C ASN A 56 16.774 -4.050 6.167 1.00 0.00 C ATOM 637 O ASN A 56 16.607 -3.423 5.121 1.00 0.00 O ATOM 638 CB ASN A 56 19.157 -3.531 6.720 1.00 0.00 C ATOM 639 CG ASN A 56 18.844 -2.668 7.926 1.00 0.00 C ATOM 640 OD1 ASN A 56 18.830 -3.142 9.060 1.00 0.00 O ATOM 641 ND2 ASN A 56 18.591 -1.393 7.687 1.00 0.00 N ATOM 0 H ASN A 56 18.334 -5.210 4.516 1.00 0.00 H new ATOM 0 HA ASN A 56 18.042 -5.208 7.441 1.00 0.00 H new ATOM 0 HB2 ASN A 56 20.146 -3.973 6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 56 19.194 -2.905 5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.374 -0.763 8.459 1.00 0.00 H new ATOM 0 HD22 ASN A 56 18.613 -1.039 6.731 1.00 0.00 H new ATOM 648 N ALA A 57 15.800 -4.274 7.030 1.00 0.00 N ATOM 649 CA ALA A 57 14.456 -3.761 6.817 1.00 0.00 C ATOM 650 C ALA A 57 14.392 -2.266 7.125 1.00 0.00 C ATOM 651 O ALA A 57 13.875 -1.846 8.161 1.00 0.00 O ATOM 652 CB ALA A 57 13.452 -4.536 7.656 1.00 0.00 C ATOM 0 H ALA A 57 15.914 -4.811 7.890 1.00 0.00 H new ATOM 0 HA ALA A 57 14.197 -3.897 5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.451 -4.139 7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.478 -5.589 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.706 -4.436 8.711 1.00 0.00 H new ATOM 658 N ASP A 58 14.937 -1.473 6.218 1.00 0.00 N ATOM 659 CA ASP A 58 14.951 -0.023 6.359 1.00 0.00 C ATOM 660 C ASP A 58 14.007 0.619 5.353 1.00 0.00 C ATOM 661 O ASP A 58 14.362 1.579 4.667 1.00 0.00 O ATOM 662 CB ASP A 58 16.368 0.522 6.157 1.00 0.00 C ATOM 663 CG ASP A 58 17.090 -0.119 4.982 1.00 0.00 C ATOM 664 OD1 ASP A 58 16.464 -0.317 3.917 1.00 0.00 O ATOM 665 OD2 ASP A 58 18.293 -0.422 5.120 1.00 0.00 O ATOM 0 H ASP A 58 15.381 -1.813 5.365 1.00 0.00 H new ATOM 0 HA ASP A 58 14.617 0.223 7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.318 1.600 6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.947 0.358 7.066 1.00 0.00 H new ATOM 670 N MET A 59 12.798 0.096 5.278 1.00 0.00 N ATOM 671 CA MET A 59 11.836 0.567 4.303 1.00 0.00 C ATOM 672 C MET A 59 10.744 1.385 4.972 1.00 0.00 C ATOM 673 O MET A 59 10.120 0.942 5.934 1.00 0.00 O ATOM 674 CB MET A 59 11.224 -0.612 3.549 1.00 0.00 C ATOM 675 CG MET A 59 10.208 -0.197 2.501 1.00 0.00 C ATOM 676 SD MET A 59 8.606 -0.975 2.749 1.00 0.00 S ATOM 677 CE MET A 59 9.045 -2.699 2.553 1.00 0.00 C ATOM 0 H MET A 59 12.460 -0.654 5.880 1.00 0.00 H new ATOM 0 HA MET A 59 12.358 1.208 3.592 1.00 0.00 H new ATOM 0 HB2 MET A 59 12.021 -1.178 3.067 1.00 0.00 H new ATOM 0 HB3 MET A 59 10.745 -1.281 4.264 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.090 0.886 2.523 1.00 0.00 H new ATOM 0 HG3 MET A 59 10.585 -0.456 1.512 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.579 -3.093 1.650 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.128 -2.792 2.472 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.696 -3.264 3.417 1.00 0.00 H new ATOM 687 N THR A 60 10.539 2.586 4.464 1.00 0.00 N ATOM 688 CA THR A 60 9.505 3.467 4.967 1.00 0.00 C ATOM 689 C THR A 60 8.252 3.365 4.102 1.00 0.00 C ATOM 690 O THR A 60 8.317 3.550 2.885 1.00 0.00 O ATOM 691 CB THR A 60 9.998 4.925 4.984 1.00 0.00 C ATOM 692 OG1 THR A 60 11.120 5.067 4.099 1.00 0.00 O ATOM 693 CG2 THR A 60 10.402 5.339 6.389 1.00 0.00 C ATOM 0 H THR A 60 11.083 2.976 3.694 1.00 0.00 H new ATOM 0 HA THR A 60 9.265 3.160 5.985 1.00 0.00 H new ATOM 0 HB THR A 60 9.184 5.570 4.651 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.430 5.996 4.111 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.747 6.373 6.379 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.544 5.250 7.055 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.205 4.692 6.742 1.00 0.00 H new ATOM 701 N LEU A 61 7.125 3.056 4.732 1.00 0.00 N ATOM 702 CA LEU A 61 5.858 2.942 4.020 1.00 0.00 C ATOM 703 C LEU A 61 5.020 4.198 4.225 1.00 0.00 C ATOM 704 O LEU A 61 4.697 4.559 5.357 1.00 0.00 O ATOM 705 CB LEU A 61 5.084 1.712 4.499 1.00 0.00 C ATOM 706 CG LEU A 61 3.838 1.372 3.677 1.00 0.00 C ATOM 707 CD1 LEU A 61 4.228 0.830 2.311 1.00 0.00 C ATOM 708 CD2 LEU A 61 2.966 0.374 4.420 1.00 0.00 C ATOM 0 H LEU A 61 7.063 2.880 5.735 1.00 0.00 H new ATOM 0 HA LEU A 61 6.070 2.830 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.754 0.852 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.785 1.870 5.535 1.00 0.00 H new ATOM 0 HG LEU A 61 3.264 2.287 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.328 0.594 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.810 1.579 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.826 -0.073 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.085 0.144 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.532 -0.540 4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.655 0.801 5.373 1.00 0.00 H new ATOM 720 N ILE A 62 4.680 4.864 3.131 1.00 0.00 N ATOM 721 CA ILE A 62 3.942 6.118 3.198 1.00 0.00 C ATOM 722 C ILE A 62 2.587 6.041 2.523 1.00 0.00 C ATOM 723 O ILE A 62 2.437 5.576 1.397 1.00 0.00 O ATOM 724 CB ILE A 62 4.778 7.288 2.622 1.00 0.00 C ATOM 725 CG1 ILE A 62 5.496 7.999 3.759 1.00 0.00 C ATOM 726 CG2 ILE A 62 3.918 8.278 1.847 1.00 0.00 C ATOM 727 CD1 ILE A 62 6.915 7.514 3.977 1.00 0.00 C ATOM 0 H ILE A 62 4.904 4.557 2.184 1.00 0.00 H new ATOM 0 HA ILE A 62 3.755 6.309 4.255 1.00 0.00 H new ATOM 0 HB ILE A 62 5.503 6.873 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.514 9.069 3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.928 7.861 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.546 9.081 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.433 7.766 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.159 8.696 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.365 8.065 4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.904 6.450 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.499 7.677 3.071 1.00 0.00 H new ATOM 739 N LEU A 63 1.610 6.506 3.271 1.00 0.00 N ATOM 740 CA LEU A 63 0.252 6.648 2.809 1.00 0.00 C ATOM 741 C LEU A 63 0.080 8.020 2.165 1.00 0.00 C ATOM 742 O LEU A 63 -0.112 9.012 2.868 1.00 0.00 O ATOM 743 CB LEU A 63 -0.670 6.499 4.017 1.00 0.00 C ATOM 744 CG LEU A 63 -2.101 6.204 3.714 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.215 4.853 3.059 1.00 0.00 C ATOM 746 CD2 LEU A 63 -2.936 6.261 4.982 1.00 0.00 C ATOM 0 H LEU A 63 1.744 6.802 4.238 1.00 0.00 H new ATOM 0 HA LEU A 63 0.009 5.889 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.281 5.701 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.625 7.419 4.600 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.482 6.959 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.262 4.642 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.642 4.849 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.824 4.089 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.977 6.043 4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.566 5.524 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.865 7.257 5.420 1.00 0.00 H new ATOM 758 N LEU A 64 0.176 8.084 0.837 1.00 0.00 N ATOM 759 CA LEU A 64 0.193 9.365 0.142 1.00 0.00 C ATOM 760 C LEU A 64 -0.740 9.392 -1.063 1.00 0.00 C ATOM 761 O LEU A 64 -1.024 8.367 -1.669 1.00 0.00 O ATOM 762 CB LEU A 64 1.625 9.694 -0.301 1.00 0.00 C ATOM 763 CG LEU A 64 1.756 10.425 -1.638 1.00 0.00 C ATOM 764 CD1 LEU A 64 2.176 11.868 -1.421 1.00 0.00 C ATOM 765 CD2 LEU A 64 2.748 9.706 -2.533 1.00 0.00 C ATOM 0 H LEU A 64 0.243 7.269 0.227 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.167 10.118 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.094 10.303 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.190 8.764 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 64 0.783 10.427 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.264 12.370 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.428 12.377 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.138 11.894 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.833 10.236 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.723 9.676 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.402 8.688 -2.715 1.00 0.00 H new ATOM 777 N ARG A 65 -1.209 10.584 -1.405 1.00 0.00 N ATOM 778 CA ARG A 65 -1.935 10.791 -2.645 1.00 0.00 C ATOM 779 C ARG A 65 -1.251 11.891 -3.455 1.00 0.00 C ATOM 780 O ARG A 65 -1.156 13.040 -3.019 1.00 0.00 O ATOM 781 CB ARG A 65 -3.414 11.110 -2.369 1.00 0.00 C ATOM 782 CG ARG A 65 -3.930 12.424 -2.941 1.00 0.00 C ATOM 783 CD ARG A 65 -5.068 12.982 -2.099 1.00 0.00 C ATOM 784 NE ARG A 65 -4.597 13.545 -0.833 1.00 0.00 N ATOM 785 CZ ARG A 65 -4.685 14.837 -0.514 1.00 0.00 C ATOM 786 NH1 ARG A 65 -5.268 15.694 -1.342 1.00 0.00 N ATOM 787 NH2 ARG A 65 -4.218 15.272 0.648 1.00 0.00 N ATOM 0 H ARG A 65 -1.098 11.424 -0.837 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.919 9.874 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.021 10.298 -2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.568 11.121 -1.290 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.117 13.149 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.273 12.268 -3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.592 13.753 -2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.789 12.190 -1.896 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.176 12.911 -0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.652 15.366 -2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.332 16.681 -1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.789 14.618 1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.288 16.261 0.888 1.00 0.00 H new ATOM 801 N ASN A 66 -0.705 11.514 -4.593 1.00 0.00 N ATOM 802 CA ASN A 66 -0.080 12.469 -5.493 1.00 0.00 C ATOM 803 C ASN A 66 -0.582 12.233 -6.904 1.00 0.00 C ATOM 804 O ASN A 66 -0.771 11.090 -7.311 1.00 0.00 O ATOM 805 CB ASN A 66 1.447 12.352 -5.445 1.00 0.00 C ATOM 806 CG ASN A 66 2.121 13.119 -6.568 1.00 0.00 C ATOM 807 OD1 ASN A 66 2.144 14.349 -6.569 1.00 0.00 O ATOM 808 ND2 ASN A 66 2.668 12.398 -7.536 1.00 0.00 N ATOM 0 H ASN A 66 -0.680 10.548 -4.920 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.347 13.477 -5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.807 12.725 -4.486 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.730 11.301 -5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.129 12.862 -8.319 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.628 11.379 -7.498 1.00 0.00 H new ATOM 815 N VAL A 67 -0.810 13.301 -7.642 1.00 0.00 N ATOM 816 CA VAL A 67 -1.297 13.187 -9.000 1.00 0.00 C ATOM 817 C VAL A 67 -1.376 14.564 -9.642 1.00 0.00 C ATOM 818 O VAL A 67 -1.467 15.578 -8.941 1.00 0.00 O ATOM 819 CB VAL A 67 -2.668 12.466 -9.032 1.00 0.00 C ATOM 820 CG1 VAL A 67 -3.820 13.434 -8.810 1.00 0.00 C ATOM 821 CG2 VAL A 67 -2.845 11.704 -10.334 1.00 0.00 C ATOM 0 H VAL A 67 -0.665 14.259 -7.322 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.597 12.583 -9.578 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.681 11.751 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.764 12.889 -8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.709 13.915 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.814 14.192 -9.593 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.814 11.205 -10.335 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.794 12.399 -11.172 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.054 10.960 -10.431 1.00 0.00 H new ATOM 831 N GLY A 68 -1.316 14.606 -10.966 1.00 0.00 N ATOM 832 CA GLY A 68 -1.247 15.874 -11.661 1.00 0.00 C ATOM 833 C GLY A 68 0.157 16.439 -11.627 1.00 0.00 C ATOM 834 O GLY A 68 0.362 17.631 -11.843 1.00 0.00 O ATOM 0 H GLY A 68 -1.314 13.784 -11.570 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.564 15.743 -12.695 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.938 16.581 -11.203 1.00 0.00 H new ATOM 838 N GLY A 69 1.119 15.565 -11.352 1.00 0.00 N ATOM 839 CA GLY A 69 2.507 15.964 -11.259 1.00 0.00 C ATOM 840 C GLY A 69 3.411 14.764 -11.066 1.00 0.00 C ATOM 841 O GLY A 69 3.075 13.841 -10.316 1.00 0.00 O ATOM 0 H GLY A 69 0.955 14.571 -11.190 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.796 16.498 -12.164 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.634 16.656 -10.426 1.00 0.00 H new ATOM 845 N ASN A 70 4.546 14.764 -11.742 1.00 0.00 N ATOM 846 CA ASN A 70 5.473 13.642 -11.678 1.00 0.00 C ATOM 847 C ASN A 70 6.386 13.766 -10.465 1.00 0.00 C ATOM 848 O ASN A 70 7.267 14.626 -10.423 1.00 0.00 O ATOM 849 CB ASN A 70 6.309 13.566 -12.959 1.00 0.00 C ATOM 850 CG ASN A 70 7.282 12.399 -12.959 1.00 0.00 C ATOM 851 OD1 ASN A 70 6.992 11.329 -12.417 1.00 0.00 O ATOM 852 ND2 ASN A 70 8.444 12.598 -13.563 1.00 0.00 N ATOM 0 H ASN A 70 4.851 15.529 -12.344 1.00 0.00 H new ATOM 0 HA ASN A 70 4.891 12.725 -11.582 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.643 13.478 -13.817 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.864 14.496 -13.081 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.138 11.851 -13.592 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.645 13.498 -13.999 1.00 0.00 H new ATOM 859 N GLY A 71 6.161 12.912 -9.476 1.00 0.00 N ATOM 860 CA GLY A 71 6.984 12.926 -8.285 1.00 0.00 C ATOM 861 C GLY A 71 6.174 12.677 -7.028 1.00 0.00 C ATOM 862 O GLY A 71 5.466 13.564 -6.554 1.00 0.00 O ATOM 0 H GLY A 71 5.422 12.209 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.760 12.165 -8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.489 13.889 -8.205 1.00 0.00 H new ATOM 866 N TRP A 72 6.270 11.465 -6.494 1.00 0.00 N ATOM 867 CA TRP A 72 5.542 11.095 -5.282 1.00 0.00 C ATOM 868 C TRP A 72 6.219 11.689 -4.048 1.00 0.00 C ATOM 869 O TRP A 72 7.442 11.821 -4.009 1.00 0.00 O ATOM 870 CB TRP A 72 5.461 9.570 -5.151 1.00 0.00 C ATOM 871 CG TRP A 72 4.884 8.887 -6.355 1.00 0.00 C ATOM 872 CD1 TRP A 72 5.575 8.225 -7.327 1.00 0.00 C ATOM 873 CD2 TRP A 72 3.500 8.786 -6.708 1.00 0.00 C ATOM 874 NE1 TRP A 72 4.708 7.724 -8.265 1.00 0.00 N ATOM 875 CE2 TRP A 72 3.428 8.051 -7.906 1.00 0.00 C ATOM 876 CE3 TRP A 72 2.315 9.242 -6.131 1.00 0.00 C ATOM 877 CZ2 TRP A 72 2.219 7.762 -8.532 1.00 0.00 C ATOM 878 CZ3 TRP A 72 1.119 8.953 -6.751 1.00 0.00 C ATOM 879 CH2 TRP A 72 1.077 8.220 -7.938 1.00 0.00 C ATOM 0 H TRP A 72 6.847 10.718 -6.882 1.00 0.00 H new ATOM 0 HA TRP A 72 4.531 11.497 -5.355 1.00 0.00 H new ATOM 0 HB2 TRP A 72 6.461 9.177 -4.967 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.856 9.322 -4.279 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.649 8.112 -7.354 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.974 7.194 -9.095 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.335 9.812 -5.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 2.185 7.197 -9.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.196 9.300 -6.310 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.122 8.010 -8.397 1.00 0.00 H new ATOM 890 N GLY A 73 5.425 12.029 -3.042 1.00 0.00 N ATOM 891 CA GLY A 73 5.964 12.654 -1.849 1.00 0.00 C ATOM 892 C GLY A 73 5.695 11.846 -0.595 1.00 0.00 C ATOM 893 O GLY A 73 5.159 10.741 -0.666 1.00 0.00 O ATOM 0 H GLY A 73 4.416 11.883 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.039 12.787 -1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.530 13.648 -1.736 1.00 0.00 H new ATOM 897 N GLU A 74 6.081 12.385 0.552 1.00 0.00 N ATOM 898 CA GLU A 74 5.841 11.726 1.829 1.00 0.00 C ATOM 899 C GLU A 74 4.640 12.336 2.539 1.00 0.00 C ATOM 900 O GLU A 74 4.519 13.556 2.637 1.00 0.00 O ATOM 901 CB GLU A 74 7.070 11.835 2.730 1.00 0.00 C ATOM 902 CG GLU A 74 7.981 10.623 2.669 1.00 0.00 C ATOM 903 CD GLU A 74 9.041 10.753 1.600 1.00 0.00 C ATOM 904 OE1 GLU A 74 9.554 11.875 1.400 1.00 0.00 O ATOM 905 OE2 GLU A 74 9.366 9.740 0.951 1.00 0.00 O ATOM 0 H GLU A 74 6.564 13.281 0.625 1.00 0.00 H new ATOM 0 HA GLU A 74 5.636 10.675 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.639 12.721 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.743 11.981 3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.461 10.483 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.383 9.732 2.478 1.00 0.00 H new ATOM 912 N ILE A 75 3.753 11.480 3.025 1.00 0.00 N ATOM 913 CA ILE A 75 2.603 11.925 3.800 1.00 0.00 C ATOM 914 C ILE A 75 2.579 11.218 5.158 1.00 0.00 C ATOM 915 O ILE A 75 3.102 11.746 6.140 1.00 0.00 O ATOM 916 CB ILE A 75 1.272 11.687 3.037 1.00 0.00 C ATOM 917 CG1 ILE A 75 1.183 12.613 1.820 1.00 0.00 C ATOM 918 CG2 ILE A 75 0.061 11.890 3.943 1.00 0.00 C ATOM 919 CD1 ILE A 75 1.229 14.087 2.164 1.00 0.00 C ATOM 0 H ILE A 75 3.808 10.470 2.896 1.00 0.00 H new ATOM 0 HA ILE A 75 2.700 12.999 3.959 1.00 0.00 H new ATOM 0 HB ILE A 75 1.265 10.651 2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.004 12.383 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.257 12.404 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.852 11.715 3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.109 11.190 4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.060 12.911 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.161 14.676 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.393 14.334 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.166 14.313 2.672 1.00 0.00 H new ATOM 931 N LYS A 76 1.983 10.030 5.218 1.00 0.00 N ATOM 932 CA LYS A 76 1.925 9.279 6.465 1.00 0.00 C ATOM 933 C LYS A 76 2.975 8.181 6.472 1.00 0.00 C ATOM 934 O LYS A 76 2.873 7.216 5.717 1.00 0.00 O ATOM 935 CB LYS A 76 0.536 8.681 6.676 1.00 0.00 C ATOM 936 CG LYS A 76 0.160 8.547 8.142 1.00 0.00 C ATOM 937 CD LYS A 76 0.121 7.094 8.577 1.00 0.00 C ATOM 938 CE LYS A 76 1.081 6.836 9.726 1.00 0.00 C ATOM 939 NZ LYS A 76 0.478 5.994 10.792 1.00 0.00 N ATOM 0 H LYS A 76 1.537 9.571 4.424 1.00 0.00 H new ATOM 0 HA LYS A 76 2.130 9.967 7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.202 9.306 6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.495 7.699 6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.879 9.092 8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.815 9.005 8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.892 6.830 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.379 6.453 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.977 6.347 9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.395 7.788 10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.726 6.384 11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.556 5.986 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.842 5.023 10.715 1.00 0.00 H new ATOM 953 N ARG A 77 3.971 8.329 7.328 1.00 0.00 N ATOM 954 CA ARG A 77 5.092 7.405 7.367 1.00 0.00 C ATOM 955 C ARG A 77 4.900 6.342 8.444 1.00 0.00 C ATOM 956 O ARG A 77 4.420 6.630 9.541 1.00 0.00 O ATOM 957 CB ARG A 77 6.391 8.183 7.611 1.00 0.00 C ATOM 958 CG ARG A 77 7.611 7.305 7.829 1.00 0.00 C ATOM 959 CD ARG A 77 8.287 7.622 9.157 1.00 0.00 C ATOM 960 NE ARG A 77 9.456 6.778 9.394 1.00 0.00 N ATOM 961 CZ ARG A 77 9.451 5.699 10.177 1.00 0.00 C ATOM 962 NH1 ARG A 77 8.357 5.372 10.858 1.00 0.00 N ATOM 963 NH2 ARG A 77 10.550 4.967 10.303 1.00 0.00 N ATOM 0 H ARG A 77 4.026 9.086 8.010 1.00 0.00 H new ATOM 0 HA ARG A 77 5.150 6.894 6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.575 8.837 6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.259 8.825 8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.316 6.256 7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.319 7.452 7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.588 8.669 9.169 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.572 7.487 9.969 1.00 0.00 H new ATOM 0 HE ARG A 77 10.330 7.030 8.932 1.00 0.00 H new ATOM 0 HH11 ARG A 77 7.518 5.947 10.782 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.357 4.546 11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.398 5.230 9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.547 4.141 10.902 1.00 0.00 H new ATOM 977 N ASN A 78 5.253 5.111 8.106 1.00 0.00 N ATOM 978 CA ASN A 78 5.276 4.012 9.061 1.00 0.00 C ATOM 979 C ASN A 78 6.497 3.130 8.810 1.00 0.00 C ATOM 980 O ASN A 78 7.131 3.227 7.757 1.00 0.00 O ATOM 981 CB ASN A 78 4.002 3.175 8.954 1.00 0.00 C ATOM 982 CG ASN A 78 3.206 3.116 10.248 1.00 0.00 C ATOM 983 OD1 ASN A 78 2.192 3.796 10.396 1.00 0.00 O ATOM 984 ND2 ASN A 78 3.640 2.281 11.184 1.00 0.00 N ATOM 0 H ASN A 78 5.532 4.845 7.162 1.00 0.00 H new ATOM 0 HA ASN A 78 5.332 4.430 10.066 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.371 3.587 8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.267 2.161 8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.128 2.188 12.061 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.486 1.733 11.026 1.00 0.00 H new ATOM 991 N ASP A 79 6.809 2.267 9.769 1.00 0.00 N ATOM 992 CA ASP A 79 7.999 1.419 9.707 1.00 0.00 C ATOM 993 C ASP A 79 7.703 0.089 9.022 1.00 0.00 C ATOM 994 O ASP A 79 6.696 -0.061 8.330 1.00 0.00 O ATOM 995 CB ASP A 79 8.548 1.166 11.112 1.00 0.00 C ATOM 996 CG ASP A 79 9.066 2.427 11.766 1.00 0.00 C ATOM 997 OD1 ASP A 79 8.250 3.186 12.327 1.00 0.00 O ATOM 998 OD2 ASP A 79 10.287 2.676 11.723 1.00 0.00 O ATOM 0 H ASP A 79 6.248 2.133 10.610 1.00 0.00 H new ATOM 0 HA ASP A 79 8.748 1.947 9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.763 0.734 11.733 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.352 0.432 11.058 1.00 0.00 H new ATOM 1003 N ILE A 80 8.607 -0.863 9.204 1.00 0.00 N ATOM 1004 CA ILE A 80 8.464 -2.196 8.629 1.00 0.00 C ATOM 1005 C ILE A 80 7.841 -3.169 9.626 1.00 0.00 C ATOM 1006 O ILE A 80 7.762 -2.878 10.818 1.00 0.00 O ATOM 1007 CB ILE A 80 9.828 -2.757 8.185 1.00 0.00 C ATOM 1008 CG1 ILE A 80 10.908 -2.420 9.219 1.00 0.00 C ATOM 1009 CG2 ILE A 80 10.207 -2.210 6.819 1.00 0.00 C ATOM 1010 CD1 ILE A 80 11.160 -3.527 10.221 1.00 0.00 C ATOM 0 H ILE A 80 9.458 -0.736 9.752 1.00 0.00 H new ATOM 0 HA ILE A 80 7.808 -2.096 7.764 1.00 0.00 H new ATOM 0 HB ILE A 80 9.749 -3.842 8.112 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.839 -2.195 8.698 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.616 -1.517 9.755 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.173 -2.616 6.520 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.451 -2.498 6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.269 -1.123 6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.936 -3.215 10.920 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.242 -3.738 10.769 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.484 -4.426 9.696 1.00 0.00 H new ATOM 1022 N ASP A 81 7.412 -4.322 9.109 1.00 0.00 N ATOM 1023 CA ASP A 81 6.787 -5.390 9.904 1.00 0.00 C ATOM 1024 C ASP A 81 5.723 -4.844 10.846 1.00 0.00 C ATOM 1025 O ASP A 81 5.602 -5.274 11.993 1.00 0.00 O ATOM 1026 CB ASP A 81 7.838 -6.177 10.684 1.00 0.00 C ATOM 1027 CG ASP A 81 7.491 -7.651 10.792 1.00 0.00 C ATOM 1028 OD1 ASP A 81 6.721 -8.157 9.939 1.00 0.00 O ATOM 1029 OD2 ASP A 81 7.988 -8.316 11.724 1.00 0.00 O ATOM 0 H ASP A 81 7.488 -4.546 8.117 1.00 0.00 H new ATOM 0 HA ASP A 81 6.295 -6.066 9.205 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.806 -6.069 10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.937 -5.755 11.684 1.00 0.00 H new ATOM 1034 N LYS A 82 4.945 -3.901 10.344 1.00 0.00 N ATOM 1035 CA LYS A 82 3.914 -3.261 11.144 1.00 0.00 C ATOM 1036 C LYS A 82 2.580 -3.279 10.423 1.00 0.00 C ATOM 1037 O LYS A 82 2.526 -3.175 9.190 1.00 0.00 O ATOM 1038 CB LYS A 82 4.296 -1.813 11.471 1.00 0.00 C ATOM 1039 CG LYS A 82 4.690 -0.987 10.256 1.00 0.00 C ATOM 1040 CD LYS A 82 3.489 -0.330 9.590 1.00 0.00 C ATOM 1041 CE LYS A 82 3.643 -0.284 8.078 1.00 0.00 C ATOM 1042 NZ LYS A 82 2.623 -1.121 7.392 1.00 0.00 N ATOM 0 H LYS A 82 5.007 -3.561 9.384 1.00 0.00 H new ATOM 0 HA LYS A 82 3.824 -3.824 12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.455 -1.330 11.969 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.125 -1.818 12.179 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.401 -0.218 10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.198 -1.626 9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.584 -0.880 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.368 0.683 9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.557 0.747 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.640 -0.629 7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.556 -0.838 6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.899 -2.122 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.700 -0.989 7.852 1.00 0.00 H new ATOM 1056 N PRO A 83 1.489 -3.423 11.170 1.00 0.00 N ATOM 1057 CA PRO A 83 0.150 -3.248 10.648 1.00 0.00 C ATOM 1058 C PRO A 83 -0.236 -1.776 10.625 1.00 0.00 C ATOM 1059 O PRO A 83 -0.456 -1.166 11.670 1.00 0.00 O ATOM 1060 CB PRO A 83 -0.738 -4.026 11.634 1.00 0.00 C ATOM 1061 CG PRO A 83 0.182 -4.587 12.673 1.00 0.00 C ATOM 1062 CD PRO A 83 1.458 -3.801 12.583 1.00 0.00 C ATOM 0 HA PRO A 83 0.052 -3.602 9.622 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.483 -3.371 12.087 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.281 -4.822 11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.257 -4.501 13.667 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.366 -5.647 12.496 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.446 -2.929 13.237 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.325 -4.399 12.864 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.283 -1.194 9.436 1.00 0.00 N ATOM 1071 CA LEU A 84 -0.736 0.177 9.295 1.00 0.00 C ATOM 1072 C LEU A 84 -2.244 0.192 9.360 1.00 0.00 C ATOM 1073 O LEU A 84 -2.902 -0.507 8.599 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.256 0.794 7.980 1.00 0.00 C ATOM 1075 CG LEU A 84 0.098 2.280 8.064 1.00 0.00 C ATOM 1076 CD1 LEU A 84 1.239 2.607 7.121 1.00 0.00 C ATOM 1077 CD2 LEU A 84 -1.118 3.144 7.756 1.00 0.00 C ATOM 0 H LEU A 84 -0.015 -1.647 8.563 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.316 0.775 10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.620 0.245 7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.033 0.661 7.227 1.00 0.00 H new ATOM 0 HG LEU A 84 0.419 2.498 9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.478 3.668 7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.115 2.018 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.945 2.370 6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.843 4.197 7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.475 2.924 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.908 2.930 8.476 1.00 0.00 H new ATOM 1089 N LYS A 85 -2.785 0.941 10.299 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.221 1.010 10.468 1.00 0.00 C ATOM 1091 C LYS A 85 -4.677 2.456 10.468 1.00 0.00 C ATOM 1092 O LYS A 85 -3.910 3.360 10.806 1.00 0.00 O ATOM 1093 CB LYS A 85 -4.658 0.311 11.763 1.00 0.00 C ATOM 1094 CG LYS A 85 -3.526 0.077 12.753 1.00 0.00 C ATOM 1095 CD LYS A 85 -4.049 -0.384 14.102 1.00 0.00 C ATOM 1096 CE LYS A 85 -3.210 0.172 15.239 1.00 0.00 C ATOM 1097 NZ LYS A 85 -3.373 -0.618 16.485 1.00 0.00 N ATOM 0 H LYS A 85 -2.252 1.510 10.956 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.689 0.491 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.430 0.911 12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.111 -0.648 11.511 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.841 -0.671 12.353 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.956 0.997 12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.084 -0.065 14.221 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.045 -1.473 14.143 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.160 0.176 14.947 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.493 1.208 15.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.784 -0.206 17.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.371 -0.601 16.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.079 -1.601 16.314 1.00 0.00 H new ATOM 1111 N TYR A 86 -5.926 2.666 10.094 1.00 0.00 N ATOM 1112 CA TYR A 86 -6.476 4.000 9.994 1.00 0.00 C ATOM 1113 C TYR A 86 -6.661 4.600 11.388 1.00 0.00 C ATOM 1114 O TYR A 86 -7.537 4.196 12.151 1.00 0.00 O ATOM 1115 CB TYR A 86 -7.781 3.943 9.178 1.00 0.00 C ATOM 1116 CG TYR A 86 -8.910 4.850 9.635 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -8.935 6.197 9.298 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -9.964 4.344 10.385 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -9.975 7.013 9.701 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -11.008 5.153 10.787 1.00 0.00 C ATOM 1121 CZ TYR A 86 -11.011 6.486 10.445 1.00 0.00 C ATOM 1122 OH TYR A 86 -12.055 7.292 10.841 1.00 0.00 O ATOM 0 H TYR A 86 -6.581 1.922 9.853 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.789 4.662 9.467 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -7.546 4.188 8.142 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.144 2.915 9.188 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.129 6.613 8.712 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.967 3.299 10.659 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -9.977 8.060 9.435 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -11.820 4.741 11.368 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.700 6.763 11.356 1.00 0.00 H new ATOM 1132 N GLU A 87 -5.764 5.517 11.733 1.00 0.00 N ATOM 1133 CA GLU A 87 -5.838 6.230 13.000 1.00 0.00 C ATOM 1134 C GLU A 87 -6.964 7.259 12.947 1.00 0.00 C ATOM 1135 O GLU A 87 -8.078 7.003 13.403 1.00 0.00 O ATOM 1136 CB GLU A 87 -4.497 6.915 13.302 1.00 0.00 C ATOM 1137 CG GLU A 87 -3.329 5.946 13.419 1.00 0.00 C ATOM 1138 CD GLU A 87 -2.071 6.450 12.735 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -2.122 6.754 11.524 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -1.017 6.530 13.396 1.00 0.00 O ATOM 0 H GLU A 87 -4.973 5.784 11.148 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.048 5.519 13.799 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.282 7.636 12.514 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.587 7.476 14.232 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.116 5.767 14.473 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.614 4.988 12.984 1.00 0.00 H new ATOM 1147 N ASP A 88 -6.671 8.417 12.371 1.00 0.00 N ATOM 1148 CA ASP A 88 -7.682 9.438 12.146 1.00 0.00 C ATOM 1149 C ASP A 88 -7.456 10.101 10.796 1.00 0.00 C ATOM 1150 O ASP A 88 -6.828 11.156 10.700 1.00 0.00 O ATOM 1151 CB ASP A 88 -7.671 10.490 13.258 1.00 0.00 C ATOM 1152 CG ASP A 88 -9.023 11.162 13.421 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -9.840 11.106 12.479 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -9.286 11.730 14.504 1.00 0.00 O ATOM 0 H ASP A 88 -5.737 8.672 12.050 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.659 8.955 12.153 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.384 10.020 14.199 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.916 11.244 13.036 1.00 0.00 H new ATOM 1159 N TYR A 89 -7.946 9.456 9.751 1.00 0.00 N ATOM 1160 CA TYR A 89 -7.790 9.959 8.391 1.00 0.00 C ATOM 1161 C TYR A 89 -9.101 10.544 7.891 1.00 0.00 C ATOM 1162 O TYR A 89 -9.198 10.972 6.739 1.00 0.00 O ATOM 1163 CB TYR A 89 -7.342 8.841 7.441 1.00 0.00 C ATOM 1164 CG TYR A 89 -6.115 8.081 7.895 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -5.124 8.695 8.646 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -5.955 6.742 7.568 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -4.008 7.995 9.059 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -4.842 6.036 7.978 1.00 0.00 C ATOM 1169 CZ TYR A 89 -3.872 6.667 8.723 1.00 0.00 C ATOM 1170 OH TYR A 89 -2.765 5.967 9.133 1.00 0.00 O ATOM 0 H TYR A 89 -8.459 8.577 9.816 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.026 10.736 8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.164 8.136 7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.143 9.274 6.461 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.227 9.737 8.912 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.714 6.244 6.983 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.245 8.487 9.643 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.733 4.994 7.716 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.670 6.045 10.105 1.00 0.00 H new ATOM 1180 N TYR A 90 -10.102 10.563 8.778 1.00 0.00 N ATOM 1181 CA TYR A 90 -11.462 11.009 8.450 1.00 0.00 C ATOM 1182 C TYR A 90 -12.143 10.032 7.486 1.00 0.00 C ATOM 1183 O TYR A 90 -13.127 9.379 7.841 1.00 0.00 O ATOM 1184 CB TYR A 90 -11.461 12.433 7.870 1.00 0.00 C ATOM 1185 CG TYR A 90 -10.557 13.396 8.616 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -10.835 13.770 9.922 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -9.421 13.922 8.010 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -10.010 14.644 10.606 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -8.591 14.794 8.688 1.00 0.00 C ATOM 1190 CZ TYR A 90 -8.888 15.152 9.984 1.00 0.00 C ATOM 1191 OH TYR A 90 -8.062 16.021 10.663 1.00 0.00 O ATOM 0 H TYR A 90 -9.992 10.268 9.748 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.034 11.027 9.378 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.149 12.390 6.827 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.479 12.821 7.882 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.711 13.372 10.413 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.184 13.644 6.994 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.243 14.927 11.622 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.712 15.193 8.203 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.317 16.284 10.083 1.00 0.00 H new ATOM 1201 N THR A 91 -11.607 9.920 6.278 1.00 0.00 N ATOM 1202 CA THR A 91 -12.145 9.018 5.270 1.00 0.00 C ATOM 1203 C THR A 91 -11.041 8.599 4.301 1.00 0.00 C ATOM 1204 O THR A 91 -9.940 9.146 4.338 1.00 0.00 O ATOM 1205 CB THR A 91 -13.294 9.679 4.481 1.00 0.00 C ATOM 1206 OG1 THR A 91 -13.385 11.071 4.821 1.00 0.00 O ATOM 1207 CG2 THR A 91 -14.622 8.994 4.774 1.00 0.00 C ATOM 0 H THR A 91 -10.791 10.449 5.971 1.00 0.00 H new ATOM 0 HA THR A 91 -12.539 8.141 5.784 1.00 0.00 H new ATOM 0 HB THR A 91 -13.078 9.576 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.115 11.484 4.315 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.415 9.479 4.205 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.561 7.944 4.488 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.842 9.068 5.839 1.00 0.00 H new ATOM 1215 N SER A 92 -11.332 7.633 3.442 1.00 0.00 N ATOM 1216 CA SER A 92 -10.362 7.158 2.468 1.00 0.00 C ATOM 1217 C SER A 92 -10.463 7.963 1.170 1.00 0.00 C ATOM 1218 O SER A 92 -11.542 8.439 0.809 1.00 0.00 O ATOM 1219 CB SER A 92 -10.592 5.672 2.215 1.00 0.00 C ATOM 1220 OG SER A 92 -11.237 5.074 3.325 1.00 0.00 O ATOM 0 H SER A 92 -12.236 7.162 3.400 1.00 0.00 H new ATOM 0 HA SER A 92 -9.355 7.297 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.199 5.539 1.319 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.639 5.177 2.031 1.00 0.00 H new ATOM 0 HG SER A 92 -11.379 4.121 3.146 1.00 0.00 H new ATOM 1226 N GLY A 93 -9.340 8.114 0.479 1.00 0.00 N ATOM 1227 CA GLY A 93 -9.293 8.980 -0.686 1.00 0.00 C ATOM 1228 C GLY A 93 -9.588 8.262 -1.989 1.00 0.00 C ATOM 1229 O GLY A 93 -9.745 7.042 -2.015 1.00 0.00 O ATOM 0 H GLY A 93 -8.459 7.652 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.012 9.789 -0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.306 9.438 -0.749 1.00 0.00 H new ATOM 1233 N LEU A 94 -9.662 9.040 -3.064 1.00 0.00 N ATOM 1234 CA LEU A 94 -9.935 8.518 -4.400 1.00 0.00 C ATOM 1235 C LEU A 94 -8.673 7.921 -5.014 1.00 0.00 C ATOM 1236 O LEU A 94 -8.535 6.704 -5.123 1.00 0.00 O ATOM 1237 CB LEU A 94 -10.459 9.644 -5.297 1.00 0.00 C ATOM 1238 CG LEU A 94 -11.452 9.214 -6.376 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -12.491 10.299 -6.601 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -10.730 8.902 -7.676 1.00 0.00 C ATOM 0 H LEU A 94 -9.534 10.052 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.687 7.734 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.935 10.395 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.609 10.126 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.957 8.310 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -13.191 9.978 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.032 10.482 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -11.996 11.216 -6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.455 8.598 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.199 9.790 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.017 8.094 -7.511 1.00 0.00 H new ATOM 1252 N SER A 95 -7.766 8.790 -5.437 1.00 0.00 N ATOM 1253 CA SER A 95 -6.476 8.364 -5.950 1.00 0.00 C ATOM 1254 C SER A 95 -5.443 8.429 -4.836 1.00 0.00 C ATOM 1255 O SER A 95 -5.428 9.377 -4.050 1.00 0.00 O ATOM 1256 CB SER A 95 -6.058 9.245 -7.126 1.00 0.00 C ATOM 1257 OG SER A 95 -7.159 9.491 -7.987 1.00 0.00 O ATOM 0 H SER A 95 -7.903 9.801 -5.434 1.00 0.00 H new ATOM 0 HA SER A 95 -6.549 7.336 -6.306 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.662 10.190 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.256 8.760 -7.683 1.00 0.00 H new ATOM 0 HG SER A 95 -6.871 10.058 -8.732 1.00 0.00 H new ATOM 1263 N TRP A 96 -4.601 7.410 -4.757 1.00 0.00 N ATOM 1264 CA TRP A 96 -3.628 7.304 -3.684 1.00 0.00 C ATOM 1265 C TRP A 96 -2.567 6.273 -4.009 1.00 0.00 C ATOM 1266 O TRP A 96 -2.778 5.416 -4.862 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.279 6.956 -2.344 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.472 6.033 -2.356 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -6.100 5.459 -3.427 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -6.181 5.584 -1.195 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -7.163 4.704 -3.002 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -7.231 4.759 -1.639 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -6.027 5.802 0.182 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -8.129 4.160 -0.764 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -6.919 5.201 1.045 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -7.956 4.391 0.570 1.00 0.00 C ATOM 0 H TRP A 96 -4.573 6.642 -5.427 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.164 8.286 -3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.516 6.507 -1.708 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.583 7.888 -1.868 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -5.802 5.582 -4.458 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.800 4.185 -3.606 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -5.229 6.426 0.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.933 3.536 -1.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -6.815 5.359 2.108 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -8.636 3.938 1.276 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.444 6.344 -3.297 1.00 0.00 N ATOM 1288 CA ILE A 97 -0.310 5.472 -3.552 1.00 0.00 C ATOM 1289 C ILE A 97 0.457 5.120 -2.259 1.00 0.00 C ATOM 1290 O ILE A 97 0.791 5.998 -1.461 1.00 0.00 O ATOM 1291 CB ILE A 97 0.631 6.142 -4.589 1.00 0.00 C ATOM 1292 CG1 ILE A 97 0.810 5.241 -5.800 1.00 0.00 C ATOM 1293 CG2 ILE A 97 1.987 6.511 -4.002 1.00 0.00 C ATOM 1294 CD1 ILE A 97 -0.443 5.068 -6.615 1.00 0.00 C ATOM 0 H ILE A 97 -1.299 7.004 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.687 4.532 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 97 0.153 7.073 -4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.593 5.654 -6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.154 4.262 -5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.603 6.976 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.848 7.210 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.482 5.612 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.239 4.413 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.223 4.626 -5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.777 6.039 -6.980 1.00 0.00 H new ATOM 1306 N TRP A 98 0.723 3.827 -2.062 1.00 0.00 N ATOM 1307 CA TRP A 98 1.584 3.373 -0.968 1.00 0.00 C ATOM 1308 C TRP A 98 3.032 3.611 -1.377 1.00 0.00 C ATOM 1309 O TRP A 98 3.552 2.910 -2.247 1.00 0.00 O ATOM 1310 CB TRP A 98 1.423 1.862 -0.715 1.00 0.00 C ATOM 1311 CG TRP A 98 0.405 1.433 0.315 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -0.542 0.465 0.144 1.00 0.00 C ATOM 1313 CD2 TRP A 98 0.251 1.896 1.669 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -1.278 0.306 1.289 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -0.816 1.169 2.238 1.00 0.00 C ATOM 1316 CE3 TRP A 98 0.895 2.852 2.454 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -1.241 1.366 3.549 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 0.470 3.049 3.756 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -0.593 2.301 4.290 1.00 0.00 C ATOM 0 H TRP A 98 0.355 3.076 -2.646 1.00 0.00 H new ATOM 0 HA TRP A 98 1.310 3.919 -0.065 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.164 1.388 -1.662 1.00 0.00 H new ATOM 0 HB3 TRP A 98 2.393 1.466 -0.415 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -0.690 -0.097 -0.766 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.048 -0.352 1.412 1.00 0.00 H new ATOM 0 HE3 TRP A 98 1.714 3.430 2.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -2.059 0.794 3.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 0.962 3.788 4.371 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -0.901 2.473 5.311 1.00 0.00 H new ATOM 1330 N LYS A 99 3.667 4.605 -0.787 1.00 0.00 N ATOM 1331 CA LYS A 99 5.049 4.913 -1.115 1.00 0.00 C ATOM 1332 C LYS A 99 5.992 3.977 -0.370 1.00 0.00 C ATOM 1333 O LYS A 99 6.122 4.050 0.849 1.00 0.00 O ATOM 1334 CB LYS A 99 5.372 6.370 -0.778 1.00 0.00 C ATOM 1335 CG LYS A 99 6.272 7.047 -1.801 1.00 0.00 C ATOM 1336 CD LYS A 99 7.326 7.912 -1.129 1.00 0.00 C ATOM 1337 CE LYS A 99 7.754 9.063 -2.026 1.00 0.00 C ATOM 1338 NZ LYS A 99 9.076 9.609 -1.635 1.00 0.00 N ATOM 0 H LYS A 99 3.252 5.212 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 99 5.187 4.769 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.441 6.931 -0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.853 6.410 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.759 6.290 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.668 7.661 -2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.932 8.306 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.194 7.302 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.794 8.721 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.007 9.855 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.050 10.648 -1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.302 9.310 -0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.805 9.252 -2.285 1.00 0.00 H new ATOM 1352 N ILE A 100 6.624 3.089 -1.117 1.00 0.00 N ATOM 1353 CA ILE A 100 7.577 2.141 -0.561 1.00 0.00 C ATOM 1354 C ILE A 100 8.995 2.562 -0.913 1.00 0.00 C ATOM 1355 O ILE A 100 9.407 2.472 -2.068 1.00 0.00 O ATOM 1356 CB ILE A 100 7.319 0.715 -1.094 1.00 0.00 C ATOM 1357 CG1 ILE A 100 5.929 0.233 -0.680 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.384 -0.252 -0.594 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.264 -0.650 -1.710 1.00 0.00 C ATOM 0 H ILE A 100 6.492 3.004 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 100 7.452 2.135 0.522 1.00 0.00 H new ATOM 0 HB ILE A 100 7.369 0.746 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.008 -0.315 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.294 1.099 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.181 -1.250 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.365 0.078 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.370 -0.277 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.282 -0.954 -1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.153 -0.099 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.877 -1.535 -1.881 1.00 0.00 H new ATOM 1371 N LYS A 101 9.724 3.042 0.081 1.00 0.00 N ATOM 1372 CA LYS A 101 11.104 3.450 -0.115 1.00 0.00 C ATOM 1373 C LYS A 101 12.024 2.630 0.782 1.00 0.00 C ATOM 1374 O LYS A 101 11.894 2.661 2.007 1.00 0.00 O ATOM 1375 CB LYS A 101 11.266 4.948 0.178 1.00 0.00 C ATOM 1376 CG LYS A 101 12.703 5.368 0.450 1.00 0.00 C ATOM 1377 CD LYS A 101 12.919 6.847 0.186 1.00 0.00 C ATOM 1378 CE LYS A 101 14.299 7.110 -0.390 1.00 0.00 C ATOM 1379 NZ LYS A 101 14.248 8.040 -1.547 1.00 0.00 N ATOM 0 H LYS A 101 9.381 3.159 1.035 1.00 0.00 H new ATOM 0 HA LYS A 101 11.378 3.271 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.885 5.518 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.652 5.209 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.957 5.143 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.377 4.785 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.159 7.210 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.798 7.406 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.942 7.529 0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.748 6.167 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.184 8.471 -1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.977 7.515 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.548 8.786 -1.362 1.00 0.00 H new ATOM 1393 N ASN A 102 12.936 1.891 0.174 1.00 0.00 N ATOM 1394 CA ASN A 102 13.887 1.080 0.924 1.00 0.00 C ATOM 1395 C ASN A 102 15.283 1.685 0.820 1.00 0.00 C ATOM 1396 O ASN A 102 15.606 2.351 -0.166 1.00 0.00 O ATOM 1397 CB ASN A 102 13.866 -0.374 0.425 1.00 0.00 C ATOM 1398 CG ASN A 102 14.368 -0.531 -1.003 1.00 0.00 C ATOM 1399 OD1 ASN A 102 14.172 0.341 -1.842 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.003 -1.654 -1.298 1.00 0.00 N ATOM 0 H ASN A 102 13.040 1.834 -0.839 1.00 0.00 H new ATOM 0 HA ASN A 102 13.598 1.071 1.975 1.00 0.00 H new ATOM 0 HB2 ASN A 102 14.479 -0.986 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 102 12.848 -0.757 0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.345 -1.813 -2.246 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.151 -2.361 -0.578 1.00 0.00 H new ATOM 1407 N ASN A 103 16.104 1.474 1.838 1.00 0.00 N ATOM 1408 CA ASN A 103 17.397 2.140 1.909 1.00 0.00 C ATOM 1409 C ASN A 103 18.537 1.172 1.623 1.00 0.00 C ATOM 1410 O ASN A 103 19.612 1.584 1.190 1.00 0.00 O ATOM 1411 CB ASN A 103 17.587 2.794 3.279 1.00 0.00 C ATOM 1412 CG ASN A 103 16.813 4.091 3.418 1.00 0.00 C ATOM 1413 OD1 ASN A 103 17.313 5.168 3.087 1.00 0.00 O ATOM 1414 ND2 ASN A 103 15.587 4.001 3.914 1.00 0.00 N ATOM 0 H ASN A 103 15.901 0.852 2.621 1.00 0.00 H new ATOM 0 HA ASN A 103 17.415 2.915 1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.268 2.100 4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.647 2.989 3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.022 4.842 4.033 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.209 3.091 4.176 1.00 0.00 H new ATOM 1421 N SER A 104 18.316 -0.106 1.885 1.00 0.00 N ATOM 1422 CA SER A 104 19.300 -1.125 1.560 1.00 0.00 C ATOM 1423 C SER A 104 19.398 -1.295 0.046 1.00 0.00 C ATOM 1424 O SER A 104 18.383 -1.305 -0.654 1.00 0.00 O ATOM 1425 CB SER A 104 18.935 -2.453 2.225 1.00 0.00 C ATOM 1426 OG SER A 104 19.243 -2.432 3.609 1.00 0.00 O ATOM 0 H SER A 104 17.465 -0.462 2.321 1.00 0.00 H new ATOM 0 HA SER A 104 20.271 -0.807 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.872 -2.651 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 104 19.476 -3.266 1.741 1.00 0.00 H new ATOM 0 HG SER A 104 19.076 -1.535 3.968 1.00 0.00 H new ATOM 1432 N SER A 105 20.619 -1.442 -0.450 1.00 0.00 N ATOM 1433 CA SER A 105 20.869 -1.522 -1.884 1.00 0.00 C ATOM 1434 C SER A 105 20.678 -2.944 -2.409 1.00 0.00 C ATOM 1435 O SER A 105 21.096 -3.270 -3.523 1.00 0.00 O ATOM 1436 CB SER A 105 22.284 -1.030 -2.189 1.00 0.00 C ATOM 1437 OG SER A 105 22.652 0.029 -1.321 1.00 0.00 O ATOM 0 H SER A 105 21.459 -1.509 0.125 1.00 0.00 H new ATOM 0 HA SER A 105 20.145 -0.884 -2.391 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.990 -1.854 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 105 22.340 -0.693 -3.224 1.00 0.00 H new ATOM 0 HG SER A 105 23.561 0.326 -1.534 1.00 0.00 H new ATOM 1443 N GLU A 106 20.031 -3.778 -1.612 1.00 0.00 N ATOM 1444 CA GLU A 106 19.736 -5.143 -2.008 1.00 0.00 C ATOM 1445 C GLU A 106 18.238 -5.308 -2.232 1.00 0.00 C ATOM 1446 O GLU A 106 17.433 -4.573 -1.654 1.00 0.00 O ATOM 1447 CB GLU A 106 20.219 -6.128 -0.941 1.00 0.00 C ATOM 1448 CG GLU A 106 20.935 -7.345 -1.509 1.00 0.00 C ATOM 1449 CD GLU A 106 19.982 -8.455 -1.901 1.00 0.00 C ATOM 1450 OE1 GLU A 106 19.651 -9.296 -1.038 1.00 0.00 O ATOM 1451 OE2 GLU A 106 19.555 -8.492 -3.073 1.00 0.00 O ATOM 0 H GLU A 106 19.698 -3.530 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 106 20.261 -5.356 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 106 20.891 -5.609 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 106 19.363 -6.462 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 106 21.515 -7.045 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.642 -7.723 -0.770 1.00 0.00 H new ATOM 1458 N THR A 107 17.879 -6.266 -3.070 1.00 0.00 N ATOM 1459 CA THR A 107 16.486 -6.561 -3.357 1.00 0.00 C ATOM 1460 C THR A 107 15.726 -6.904 -2.078 1.00 0.00 C ATOM 1461 O THR A 107 15.907 -7.976 -1.494 1.00 0.00 O ATOM 1462 CB THR A 107 16.374 -7.728 -4.353 1.00 0.00 C ATOM 1463 OG1 THR A 107 17.670 -8.023 -4.898 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.413 -7.385 -5.480 1.00 0.00 C ATOM 0 H THR A 107 18.542 -6.859 -3.569 1.00 0.00 H new ATOM 0 HA THR A 107 16.042 -5.670 -3.800 1.00 0.00 H new ATOM 0 HB THR A 107 15.990 -8.600 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 107 18.195 -8.525 -4.240 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.350 -8.225 -6.172 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.426 -7.180 -5.066 1.00 0.00 H new ATOM 0 HG23 THR A 107 15.774 -6.504 -6.011 1.00 0.00 H new ATOM 1472 N SER A 108 14.888 -5.983 -1.639 1.00 0.00 N ATOM 1473 CA SER A 108 14.135 -6.167 -0.417 1.00 0.00 C ATOM 1474 C SER A 108 12.752 -6.721 -0.721 1.00 0.00 C ATOM 1475 O SER A 108 12.075 -6.255 -1.635 1.00 0.00 O ATOM 1476 CB SER A 108 14.020 -4.837 0.325 1.00 0.00 C ATOM 1477 OG SER A 108 15.158 -4.024 0.086 1.00 0.00 O ATOM 0 H SER A 108 14.713 -5.098 -2.114 1.00 0.00 H new ATOM 0 HA SER A 108 14.660 -6.883 0.215 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.120 -4.313 0.003 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.917 -5.020 1.395 1.00 0.00 H new ATOM 0 HG SER A 108 15.358 -3.497 0.888 1.00 0.00 H new ATOM 1483 N ASN A 109 12.341 -7.729 0.027 1.00 0.00 N ATOM 1484 CA ASN A 109 11.007 -8.284 -0.125 1.00 0.00 C ATOM 1485 C ASN A 109 10.017 -7.427 0.646 1.00 0.00 C ATOM 1486 O ASN A 109 10.334 -6.932 1.729 1.00 0.00 O ATOM 1487 CB ASN A 109 10.973 -9.746 0.359 1.00 0.00 C ATOM 1488 CG ASN A 109 9.750 -10.087 1.196 1.00 0.00 C ATOM 1489 OD1 ASN A 109 9.723 -9.859 2.408 1.00 0.00 O ATOM 1490 ND2 ASN A 109 8.733 -10.646 0.557 1.00 0.00 N ATOM 0 H ASN A 109 12.910 -8.179 0.744 1.00 0.00 H new ATOM 0 HA ASN A 109 10.729 -8.280 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.004 -10.407 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.870 -9.946 0.945 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.889 -10.904 1.069 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.794 -10.818 -0.446 1.00 0.00 H new ATOM 1497 N TYR A 110 8.845 -7.216 0.075 1.00 0.00 N ATOM 1498 CA TYR A 110 7.801 -6.482 0.756 1.00 0.00 C ATOM 1499 C TYR A 110 6.467 -7.180 0.577 1.00 0.00 C ATOM 1500 O TYR A 110 6.061 -7.512 -0.539 1.00 0.00 O ATOM 1501 CB TYR A 110 7.730 -5.024 0.276 1.00 0.00 C ATOM 1502 CG TYR A 110 7.181 -4.828 -1.125 1.00 0.00 C ATOM 1503 CD1 TYR A 110 8.001 -4.960 -2.238 1.00 0.00 C ATOM 1504 CD2 TYR A 110 5.844 -4.504 -1.334 1.00 0.00 C ATOM 1505 CE1 TYR A 110 7.507 -4.777 -3.517 1.00 0.00 C ATOM 1506 CE2 TYR A 110 5.341 -4.320 -2.610 1.00 0.00 C ATOM 1507 CZ TYR A 110 6.177 -4.458 -3.698 1.00 0.00 C ATOM 1508 OH TYR A 110 5.681 -4.276 -4.971 1.00 0.00 O ATOM 0 H TYR A 110 8.595 -7.543 -0.858 1.00 0.00 H new ATOM 0 HA TYR A 110 8.042 -6.460 1.819 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.111 -4.459 0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.731 -4.595 0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.043 -5.210 -2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 110 5.186 -4.394 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.160 -4.883 -4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.300 -4.070 -2.753 1.00 0.00 H new ATOM 0 HH TYR A 110 4.727 -4.058 -4.922 1.00 0.00 H new ATOM 1518 N SER A 111 5.813 -7.445 1.685 1.00 0.00 N ATOM 1519 CA SER A 111 4.495 -8.037 1.664 1.00 0.00 C ATOM 1520 C SER A 111 3.484 -7.064 2.246 1.00 0.00 C ATOM 1521 O SER A 111 3.379 -6.917 3.466 1.00 0.00 O ATOM 1522 CB SER A 111 4.499 -9.349 2.448 1.00 0.00 C ATOM 1523 OG SER A 111 5.744 -9.544 3.105 1.00 0.00 O ATOM 0 H SER A 111 6.176 -7.258 2.620 1.00 0.00 H new ATOM 0 HA SER A 111 4.213 -8.254 0.634 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.693 -9.341 3.182 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.306 -10.182 1.772 1.00 0.00 H new ATOM 0 HG SER A 111 5.723 -10.389 3.602 1.00 0.00 H new ATOM 1529 N LEU A 112 2.790 -6.356 1.368 1.00 0.00 N ATOM 1530 CA LEU A 112 1.729 -5.461 1.786 1.00 0.00 C ATOM 1531 C LEU A 112 0.442 -6.248 1.961 1.00 0.00 C ATOM 1532 O LEU A 112 -0.240 -6.562 0.981 1.00 0.00 O ATOM 1533 CB LEU A 112 1.527 -4.343 0.758 1.00 0.00 C ATOM 1534 CG LEU A 112 2.113 -2.988 1.149 1.00 0.00 C ATOM 1535 CD1 LEU A 112 2.238 -2.091 -0.071 1.00 0.00 C ATOM 1536 CD2 LEU A 112 1.258 -2.324 2.217 1.00 0.00 C ATOM 0 H LEU A 112 2.945 -6.386 0.360 1.00 0.00 H new ATOM 0 HA LEU A 112 2.007 -5.004 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.972 -4.655 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.458 -4.222 0.582 1.00 0.00 H new ATOM 0 HG LEU A 112 3.109 -3.149 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.657 -1.130 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.893 -2.562 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.253 -1.937 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.691 -1.360 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.248 -2.175 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.220 -2.961 3.101 1.00 0.00 H new ATOM 1548 N ASP A 113 0.121 -6.579 3.200 1.00 0.00 N ATOM 1549 CA ASP A 113 -1.066 -7.366 3.489 1.00 0.00 C ATOM 1550 C ASP A 113 -2.263 -6.461 3.742 1.00 0.00 C ATOM 1551 O ASP A 113 -2.547 -6.078 4.883 1.00 0.00 O ATOM 1552 CB ASP A 113 -0.856 -8.277 4.712 1.00 0.00 C ATOM 1553 CG ASP A 113 0.335 -9.217 4.607 1.00 0.00 C ATOM 1554 OD1 ASP A 113 0.822 -9.470 3.489 1.00 0.00 O ATOM 1555 OD2 ASP A 113 0.774 -9.732 5.665 1.00 0.00 O ATOM 0 H ASP A 113 0.665 -6.315 4.022 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.257 -7.990 2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.732 -7.652 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.757 -8.870 4.865 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.941 -6.105 2.665 1.00 0.00 N ATOM 1561 CA ALA A 114 -4.246 -5.486 2.733 1.00 0.00 C ATOM 1562 C ALA A 114 -5.113 -6.146 1.671 1.00 0.00 C ATOM 1563 O ALA A 114 -4.765 -6.154 0.497 1.00 0.00 O ATOM 1564 CB ALA A 114 -4.146 -3.976 2.533 1.00 0.00 C ATOM 0 H ALA A 114 -2.596 -6.240 1.714 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.693 -5.629 3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.141 -3.535 2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.515 -3.547 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.710 -3.766 1.556 1.00 0.00 H new ATOM 1570 N THR A 115 -6.224 -6.725 2.064 1.00 0.00 N ATOM 1571 CA THR A 115 -6.927 -7.619 1.169 1.00 0.00 C ATOM 1572 C THR A 115 -8.387 -7.227 0.954 1.00 0.00 C ATOM 1573 O THR A 115 -8.927 -6.363 1.639 1.00 0.00 O ATOM 1574 CB THR A 115 -6.837 -9.063 1.689 1.00 0.00 C ATOM 1575 OG1 THR A 115 -6.943 -9.986 0.602 1.00 0.00 O ATOM 1576 CG2 THR A 115 -7.921 -9.337 2.717 1.00 0.00 C ATOM 0 H THR A 115 -6.655 -6.598 2.979 1.00 0.00 H new ATOM 0 HA THR A 115 -6.437 -7.542 0.198 1.00 0.00 H new ATOM 0 HB THR A 115 -5.868 -9.193 2.172 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.883 -10.902 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.836 -10.365 3.070 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.805 -8.654 3.558 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.900 -9.189 2.261 1.00 0.00 H new