USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 598 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 17 THR OG1 : rot -133:sc= -0.163 USER MOD Set 1.2: A 20 SER OG : rot 62:sc= 1.3! USER MOD Single : A 12 CYS SG : rot 160:sc= -4.69! USER MOD Single : A 13 HIS :FLIP no HE2:sc= -2.62! C(o=-3.2!,f=-2.6!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc=-0.00412 X(o=-0.0041,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -23:sc= 1.09 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0338) USER MOD Single : A 29 SER OG : rot -43:sc= 0.188 USER MOD Single : A 30 SER OG : rot -130:sc= 0.0669 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.313 F(o=-1.5,f=-0.31) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= -0.296 (180deg=-0.945) USER MOD Single : A 44 GLN : amide:sc= -0.0248 K(o=-0.025,f=-0.97) USER MOD Single : A 45 TYR OH : rot 30:sc= -0.826 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -114:sc= -0.991 (180deg=-3.76!) USER MOD Single : A 62 HIS : no HE2:sc= 0.0594 X(o=0.059,f=-0.31) USER MOD Single : A 65 GLN : amide:sc= -1.49 K(o=-1.5,f=-5.7!) USER MOD Single : A 67 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.5!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 15:sc= -0.141 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.456 F(o=-1.4!,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -5.286 -15.084 -3.155 1.00 0.00 N ATOM 97 CA ILE A 10 -3.972 -14.524 -2.890 1.00 0.00 C ATOM 98 C ILE A 10 -4.088 -13.458 -1.798 1.00 0.00 C ATOM 99 O ILE A 10 -5.181 -13.189 -1.302 1.00 0.00 O ATOM 100 CB ILE A 10 -3.337 -14.011 -4.184 1.00 0.00 C ATOM 101 CG1 ILE A 10 -1.818 -14.187 -4.157 1.00 0.00 C ATOM 102 CG2 ILE A 10 -3.742 -12.561 -4.456 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.288 -14.595 -5.533 1.00 0.00 C ATOM 0 HA ILE A 10 -3.298 -15.294 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.715 -14.611 -5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.346 -13.256 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.549 -14.944 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.277 -12.221 -5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.826 -12.498 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.412 -11.930 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.205 -14.713 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.743 -15.539 -5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.537 -13.824 -6.262 1.00 0.00 H new ATOM 115 N PHE A 11 -2.946 -12.881 -1.456 1.00 0.00 N ATOM 116 CA PHE A 11 -2.906 -11.851 -0.431 1.00 0.00 C ATOM 117 C PHE A 11 -2.045 -10.667 -0.878 1.00 0.00 C ATOM 118 O PHE A 11 -0.954 -10.855 -1.415 1.00 0.00 O ATOM 119 CB PHE A 11 -2.278 -12.482 0.813 1.00 0.00 C ATOM 120 CG PHE A 11 -3.276 -12.766 1.937 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.072 -13.867 1.878 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.367 -11.918 2.996 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.998 -14.131 2.921 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.293 -12.182 4.040 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.089 -13.283 3.980 1.00 0.00 C ATOM 0 H PHE A 11 -2.041 -13.107 -1.870 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.912 -11.481 -0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.791 -13.415 0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.500 -11.819 1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.000 -14.541 1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.735 -11.044 3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.630 -15.005 2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.365 -11.509 4.881 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.793 -13.484 4.774 1.00 0.00 H new ATOM 135 N CYS A 12 -2.568 -9.473 -0.640 1.00 0.00 N ATOM 136 CA CYS A 12 -1.861 -8.259 -1.010 1.00 0.00 C ATOM 137 C CYS A 12 -1.353 -7.589 0.268 1.00 0.00 C ATOM 138 O CYS A 12 -2.140 -7.259 1.155 1.00 0.00 O ATOM 139 CB CYS A 12 -2.744 -7.320 -1.835 1.00 0.00 C ATOM 140 SG CYS A 12 -1.875 -5.736 -2.122 1.00 0.00 S ATOM 0 H CYS A 12 -3.473 -9.321 -0.195 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.014 -8.509 -1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.993 -7.786 -2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.684 -7.139 -1.313 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.408 -5.127 -3.139 1.00 0.00 H new ATOM 146 N HIS A 13 -0.042 -7.409 0.323 1.00 0.00 N ATOM 147 CA HIS A 13 0.580 -6.785 1.478 1.00 0.00 C ATOM 148 C HIS A 13 1.060 -5.380 1.106 1.00 0.00 C ATOM 149 O HIS A 13 1.873 -5.219 0.197 1.00 0.00 O ATOM 150 CB HIS A 13 1.700 -7.666 2.035 1.00 0.00 C ATOM 151 CG HIS A 13 1.211 -8.843 2.843 1.00 0.00 C ATOM 152 ND1 HIS A 13 0.991 -8.975 4.183 1.00 0.00 N flip ATOM 153 CD2 HIS A 13 0.891 -10.063 2.273 1.00 0.00 C flip ATOM 154 CE1 HIS A 13 0.559 -10.208 4.418 1.00 0.00 C flip ATOM 155 NE2 HIS A 13 0.496 -10.884 3.236 1.00 0.00 N flip ATOM 0 H HIS A 13 0.607 -7.685 -0.414 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.153 -6.681 2.278 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.305 -8.034 1.206 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.352 -7.055 2.660 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.134 -8.249 4.885 1.00 0.00 H new ATOM 0 HD2 HIS A 13 0.953 -10.305 1.222 1.00 0.00 H new ATOM 0 HE1 HIS A 13 0.300 -10.610 5.387 1.00 0.00 H new ATOM 163 N VAL A 14 0.536 -4.400 1.828 1.00 0.00 N ATOM 164 CA VAL A 14 0.901 -3.015 1.585 1.00 0.00 C ATOM 165 C VAL A 14 1.693 -2.484 2.781 1.00 0.00 C ATOM 166 O VAL A 14 1.210 -2.511 3.912 1.00 0.00 O ATOM 167 CB VAL A 14 -0.351 -2.189 1.283 1.00 0.00 C ATOM 168 CG1 VAL A 14 -1.374 -3.013 0.498 1.00 0.00 C ATOM 169 CG2 VAL A 14 -0.965 -1.634 2.569 1.00 0.00 C ATOM 0 H VAL A 14 -0.138 -4.538 2.581 1.00 0.00 H new ATOM 0 HA VAL A 14 1.544 -2.938 0.708 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.054 -1.344 0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.255 -2.403 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.933 -3.338 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.664 -3.886 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.853 -1.051 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.241 -2.459 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.239 -0.996 3.073 1.00 0.00 H new ATOM 179 N TYR A 15 2.897 -2.012 2.491 1.00 0.00 N ATOM 180 CA TYR A 15 3.761 -1.475 3.529 1.00 0.00 C ATOM 181 C TYR A 15 3.538 0.028 3.704 1.00 0.00 C ATOM 182 O TYR A 15 3.790 0.808 2.786 1.00 0.00 O ATOM 183 CB TYR A 15 5.194 -1.714 3.050 1.00 0.00 C ATOM 184 CG TYR A 15 5.703 -3.136 3.296 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.834 -4.204 3.212 1.00 0.00 C ATOM 186 CD2 TYR A 15 7.032 -3.350 3.601 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.313 -5.542 3.443 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.512 -4.688 3.832 1.00 0.00 C ATOM 189 CZ TYR A 15 6.628 -5.718 3.742 1.00 0.00 C ATOM 190 OH TYR A 15 7.081 -6.982 3.960 1.00 0.00 O ATOM 0 H TYR A 15 3.295 -1.990 1.552 1.00 0.00 H new ATOM 0 HA TYR A 15 3.555 -1.954 4.486 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.250 -1.498 1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.857 -1.010 3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.794 -4.037 2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.712 -2.514 3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.643 -6.387 3.380 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.549 -4.869 4.071 1.00 0.00 H new ATOM 0 HH TYR A 15 8.040 -6.956 4.162 1.00 0.00 H new ATOM 200 N ILE A 16 3.068 0.391 4.888 1.00 0.00 N ATOM 201 CA ILE A 16 2.809 1.787 5.196 1.00 0.00 C ATOM 202 C ILE A 16 4.139 2.525 5.355 1.00 0.00 C ATOM 203 O ILE A 16 4.381 3.529 4.686 1.00 0.00 O ATOM 204 CB ILE A 16 1.889 1.906 6.413 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.696 0.956 6.294 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.448 3.356 6.627 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.716 -0.091 7.409 1.00 0.00 C ATOM 0 H ILE A 16 2.860 -0.258 5.646 1.00 0.00 H new ATOM 0 HA ILE A 16 2.275 2.266 4.375 1.00 0.00 H new ATOM 0 HB ILE A 16 2.452 1.606 7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.233 1.525 6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.717 0.460 5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.795 3.413 7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.325 3.983 6.789 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.910 3.706 5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.143 -0.754 7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.635 -0.674 7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.670 0.408 8.377 1.00 0.00 H new ATOM 219 N THR A 17 4.968 2.000 6.246 1.00 0.00 N ATOM 220 CA THR A 17 6.268 2.596 6.502 1.00 0.00 C ATOM 221 C THR A 17 7.385 1.613 6.148 1.00 0.00 C ATOM 222 O THR A 17 7.324 0.942 5.119 1.00 0.00 O ATOM 223 CB THR A 17 6.299 3.052 7.962 1.00 0.00 C ATOM 224 OG1 THR A 17 6.126 1.849 8.705 1.00 0.00 O ATOM 225 CG2 THR A 17 5.082 3.900 8.337 1.00 0.00 C ATOM 0 H THR A 17 4.764 1.168 6.800 1.00 0.00 H new ATOM 0 HA THR A 17 6.435 3.468 5.870 1.00 0.00 H new ATOM 0 HB THR A 17 7.209 3.623 8.144 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.446 1.987 9.397 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.154 4.197 9.383 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.051 4.790 7.708 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.173 3.318 8.187 1.00 0.00 H new ATOM 233 N GLU A 18 8.380 1.558 7.021 1.00 0.00 N ATOM 234 CA GLU A 18 9.509 0.668 6.814 1.00 0.00 C ATOM 235 C GLU A 18 9.227 -0.702 7.435 1.00 0.00 C ATOM 236 O GLU A 18 9.560 -1.732 6.852 1.00 0.00 O ATOM 237 CB GLU A 18 10.795 1.272 7.382 1.00 0.00 C ATOM 238 CG GLU A 18 12.029 0.660 6.716 1.00 0.00 C ATOM 239 CD GLU A 18 12.780 1.704 5.887 1.00 0.00 C ATOM 240 OE1 GLU A 18 12.415 1.858 4.702 1.00 0.00 O ATOM 241 OE2 GLU A 18 13.703 2.325 6.458 1.00 0.00 O ATOM 0 H GLU A 18 8.428 2.116 7.874 1.00 0.00 H new ATOM 0 HA GLU A 18 9.650 0.537 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.793 2.351 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.836 1.102 8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.692 0.250 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.728 -0.169 6.076 1.00 0.00 H new ATOM 248 N HIS A 19 8.614 -0.669 8.609 1.00 0.00 N ATOM 249 CA HIS A 19 8.283 -1.894 9.316 1.00 0.00 C ATOM 250 C HIS A 19 6.781 -1.930 9.605 1.00 0.00 C ATOM 251 O HIS A 19 6.354 -2.466 10.626 1.00 0.00 O ATOM 252 CB HIS A 19 9.134 -2.041 10.579 1.00 0.00 C ATOM 253 CG HIS A 19 10.600 -1.747 10.369 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.472 -2.657 9.797 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.337 -0.637 10.660 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.678 -2.109 9.752 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.592 -0.857 10.287 1.00 0.00 N ATOM 0 H HIS A 19 8.338 0.188 9.089 1.00 0.00 H new ATOM 0 HA HIS A 19 8.518 -2.754 8.689 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.746 -1.371 11.346 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.029 -3.057 10.960 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.963 0.268 11.116 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.572 -2.572 9.361 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.365 -0.198 10.384 1.00 0.00 H new ATOM 265 N SER A 20 6.020 -1.352 8.687 1.00 0.00 N ATOM 266 CA SER A 20 4.575 -1.311 8.830 1.00 0.00 C ATOM 267 C SER A 20 3.907 -1.635 7.493 1.00 0.00 C ATOM 268 O SER A 20 4.321 -1.131 6.450 1.00 0.00 O ATOM 269 CB SER A 20 4.111 0.056 9.338 1.00 0.00 C ATOM 270 OG SER A 20 4.953 0.555 10.374 1.00 0.00 O ATOM 0 H SER A 20 6.377 -0.908 7.841 1.00 0.00 H new ATOM 0 HA SER A 20 4.283 -2.061 9.565 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.097 0.765 8.510 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.089 -0.023 9.708 1.00 0.00 H new ATOM 0 HG SER A 20 5.861 0.678 10.027 1.00 0.00 H new ATOM 276 N TYR A 21 2.884 -2.474 7.566 1.00 0.00 N ATOM 277 CA TYR A 21 2.155 -2.871 6.374 1.00 0.00 C ATOM 278 C TYR A 21 0.777 -3.431 6.735 1.00 0.00 C ATOM 279 O TYR A 21 0.443 -3.556 7.912 1.00 0.00 O ATOM 280 CB TYR A 21 2.986 -3.977 5.720 1.00 0.00 C ATOM 281 CG TYR A 21 2.968 -5.303 6.483 1.00 0.00 C ATOM 282 CD1 TYR A 21 1.928 -6.191 6.298 1.00 0.00 C ATOM 283 CD2 TYR A 21 3.992 -5.611 7.355 1.00 0.00 C ATOM 284 CE1 TYR A 21 1.911 -7.439 7.016 1.00 0.00 C ATOM 285 CE2 TYR A 21 3.975 -6.859 8.073 1.00 0.00 C ATOM 286 CZ TYR A 21 2.936 -7.712 7.868 1.00 0.00 C ATOM 287 OH TYR A 21 2.920 -8.890 8.546 1.00 0.00 O ATOM 0 H TYR A 21 2.543 -2.890 8.433 1.00 0.00 H new ATOM 0 HA TYR A 21 2.003 -2.016 5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.615 -4.146 4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.017 -3.636 5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.127 -5.950 5.615 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.806 -4.916 7.499 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.103 -8.143 6.881 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.770 -7.112 8.759 1.00 0.00 H new ATOM 0 HH TYR A 21 3.715 -8.950 9.116 1.00 0.00 H new ATOM 297 N VAL A 22 0.016 -3.754 5.700 1.00 0.00 N ATOM 298 CA VAL A 22 -1.318 -4.298 5.894 1.00 0.00 C ATOM 299 C VAL A 22 -1.495 -5.531 5.005 1.00 0.00 C ATOM 300 O VAL A 22 -1.147 -5.506 3.826 1.00 0.00 O ATOM 301 CB VAL A 22 -2.367 -3.216 5.631 1.00 0.00 C ATOM 302 CG1 VAL A 22 -3.694 -3.563 6.310 1.00 0.00 C ATOM 303 CG2 VAL A 22 -1.864 -1.843 6.081 1.00 0.00 C ATOM 0 H VAL A 22 0.297 -3.650 4.725 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.454 -4.619 6.927 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.541 -3.173 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.423 -2.778 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.065 -4.511 5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.541 -3.647 7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.629 -1.092 5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.647 -1.867 7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.957 -1.590 5.532 1.00 0.00 H new ATOM 313 N SER A 23 -2.036 -6.581 5.606 1.00 0.00 N ATOM 314 CA SER A 23 -2.264 -7.821 4.884 1.00 0.00 C ATOM 315 C SER A 23 -3.701 -7.867 4.363 1.00 0.00 C ATOM 316 O SER A 23 -4.643 -8.012 5.140 1.00 0.00 O ATOM 317 CB SER A 23 -1.982 -9.035 5.772 1.00 0.00 C ATOM 318 OG SER A 23 -3.152 -9.481 6.452 1.00 0.00 O ATOM 0 H SER A 23 -2.323 -6.598 6.585 1.00 0.00 H new ATOM 0 HA SER A 23 -1.577 -7.856 4.038 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.586 -9.847 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.213 -8.780 6.502 1.00 0.00 H new ATOM 0 HG SER A 23 -3.794 -8.743 6.518 1.00 0.00 H new ATOM 324 N VAL A 24 -3.825 -7.740 3.050 1.00 0.00 N ATOM 325 CA VAL A 24 -5.132 -7.765 2.415 1.00 0.00 C ATOM 326 C VAL A 24 -5.302 -9.084 1.659 1.00 0.00 C ATOM 327 O VAL A 24 -4.342 -9.611 1.099 1.00 0.00 O ATOM 328 CB VAL A 24 -5.303 -6.536 1.520 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.695 -6.511 0.884 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.033 -5.248 2.300 1.00 0.00 C ATOM 0 H VAL A 24 -3.041 -7.619 2.408 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.922 -7.716 3.165 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.569 -6.601 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.791 -5.628 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.834 -7.407 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.452 -6.481 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.161 -4.390 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.732 -5.174 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.013 -5.262 2.683 1.00 0.00 H new ATOM 340 N LYS A 25 -6.531 -9.580 1.666 1.00 0.00 N ATOM 341 CA LYS A 25 -6.839 -10.827 0.988 1.00 0.00 C ATOM 342 C LYS A 25 -7.724 -10.538 -0.226 1.00 0.00 C ATOM 343 O LYS A 25 -8.936 -10.375 -0.090 1.00 0.00 O ATOM 344 CB LYS A 25 -7.447 -11.834 1.967 1.00 0.00 C ATOM 345 CG LYS A 25 -7.814 -13.138 1.255 1.00 0.00 C ATOM 346 CD LYS A 25 -8.873 -13.912 2.041 1.00 0.00 C ATOM 347 CE LYS A 25 -8.922 -15.376 1.600 1.00 0.00 C ATOM 348 NZ LYS A 25 -10.282 -15.733 1.138 1.00 0.00 N ATOM 0 H LYS A 25 -7.325 -9.140 2.131 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.927 -11.292 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.738 -12.040 2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.336 -11.405 2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.187 -12.918 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.923 -13.754 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.652 -13.857 3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.850 -13.451 1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.203 -15.545 0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.632 -16.022 2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.298 -16.730 0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.960 -15.591 1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.545 -15.129 0.333 1.00 0.00 H new ATOM 362 N ALA A 26 -7.085 -10.483 -1.385 1.00 0.00 N ATOM 363 CA ALA A 26 -7.799 -10.215 -2.622 1.00 0.00 C ATOM 364 C ALA A 26 -7.529 -11.346 -3.616 1.00 0.00 C ATOM 365 O ALA A 26 -6.808 -12.293 -3.305 1.00 0.00 O ATOM 366 CB ALA A 26 -7.383 -8.848 -3.167 1.00 0.00 C ATOM 0 H ALA A 26 -6.080 -10.620 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.874 -10.181 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.919 -8.648 -4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.623 -8.076 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.310 -8.844 -3.360 1.00 0.00 H new ATOM 372 N LYS A 27 -8.122 -11.210 -4.793 1.00 0.00 N ATOM 373 CA LYS A 27 -7.954 -12.209 -5.835 1.00 0.00 C ATOM 374 C LYS A 27 -6.724 -11.860 -6.677 1.00 0.00 C ATOM 375 O LYS A 27 -6.100 -10.821 -6.469 1.00 0.00 O ATOM 376 CB LYS A 27 -9.239 -12.350 -6.654 1.00 0.00 C ATOM 377 CG LYS A 27 -10.417 -12.744 -5.761 1.00 0.00 C ATOM 378 CD LYS A 27 -10.446 -14.255 -5.525 1.00 0.00 C ATOM 379 CE LYS A 27 -11.665 -14.658 -4.693 1.00 0.00 C ATOM 380 NZ LYS A 27 -11.505 -14.214 -3.291 1.00 0.00 N ATOM 0 H LYS A 27 -8.719 -10.423 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.773 -13.190 -5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.459 -11.409 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.099 -13.102 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.343 -12.225 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.351 -12.427 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.467 -14.776 -6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.534 -14.564 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.566 -14.217 -5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.793 -15.740 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.282 -14.597 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.597 -14.558 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.524 -13.175 -3.252 1.00 0.00 H new ATOM 394 N VAL A 28 -6.413 -12.749 -7.608 1.00 0.00 N ATOM 395 CA VAL A 28 -5.269 -12.548 -8.482 1.00 0.00 C ATOM 396 C VAL A 28 -5.629 -11.523 -9.559 1.00 0.00 C ATOM 397 O VAL A 28 -4.750 -11.000 -10.241 1.00 0.00 O ATOM 398 CB VAL A 28 -4.811 -13.889 -9.061 1.00 0.00 C ATOM 399 CG1 VAL A 28 -4.380 -14.847 -7.949 1.00 0.00 C ATOM 400 CG2 VAL A 28 -5.905 -14.513 -9.930 1.00 0.00 C ATOM 0 H VAL A 28 -6.933 -13.610 -7.777 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.425 -12.146 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.945 -13.702 -9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.059 -15.792 -8.387 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.554 -14.407 -7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.219 -15.025 -7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.554 -15.465 -10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.798 -14.679 -9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.144 -13.840 -10.754 1.00 0.00 H new ATOM 410 N SER A 29 -6.923 -11.267 -9.678 1.00 0.00 N ATOM 411 CA SER A 29 -7.410 -10.314 -10.660 1.00 0.00 C ATOM 412 C SER A 29 -8.008 -9.095 -9.955 1.00 0.00 C ATOM 413 O SER A 29 -8.598 -8.228 -10.599 1.00 0.00 O ATOM 414 CB SER A 29 -8.449 -10.955 -11.583 1.00 0.00 C ATOM 415 OG SER A 29 -8.680 -10.174 -12.752 1.00 0.00 O ATOM 0 H SER A 29 -7.649 -11.703 -9.110 1.00 0.00 H new ATOM 0 HA SER A 29 -6.567 -9.995 -11.273 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.111 -11.950 -11.873 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.386 -11.082 -11.041 1.00 0.00 H new ATOM 0 HG SER A 29 -8.746 -9.228 -12.506 1.00 0.00 H new ATOM 421 N SER A 30 -7.834 -9.066 -8.642 1.00 0.00 N ATOM 422 CA SER A 30 -8.349 -7.967 -7.843 1.00 0.00 C ATOM 423 C SER A 30 -7.509 -6.710 -8.079 1.00 0.00 C ATOM 424 O SER A 30 -6.284 -6.748 -7.972 1.00 0.00 O ATOM 425 CB SER A 30 -8.360 -8.326 -6.355 1.00 0.00 C ATOM 426 OG SER A 30 -9.679 -8.577 -5.877 1.00 0.00 O ATOM 0 H SER A 30 -7.344 -9.786 -8.111 1.00 0.00 H new ATOM 0 HA SER A 30 -9.377 -7.773 -8.150 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.741 -9.208 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.915 -7.512 -5.782 1.00 0.00 H new ATOM 0 HG SER A 30 -9.835 -8.059 -5.060 1.00 0.00 H new ATOM 432 N ILE A 31 -8.201 -5.626 -8.395 1.00 0.00 N ATOM 433 CA ILE A 31 -7.535 -4.359 -8.647 1.00 0.00 C ATOM 434 C ILE A 31 -6.916 -3.846 -7.346 1.00 0.00 C ATOM 435 O ILE A 31 -7.252 -4.324 -6.263 1.00 0.00 O ATOM 436 CB ILE A 31 -8.498 -3.368 -9.303 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.794 -3.248 -8.498 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.762 -3.744 -10.762 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.556 -1.976 -8.872 1.00 0.00 C ATOM 0 H ILE A 31 -9.217 -5.598 -8.482 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.719 -4.492 -9.358 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.028 -2.385 -9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.422 -4.120 -8.681 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.565 -3.239 -7.432 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.450 -3.023 -11.205 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.823 -3.737 -11.315 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.202 -4.740 -10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.473 -1.915 -8.286 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.934 -1.105 -8.665 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.805 -2.000 -9.933 1.00 0.00 H new ATOM 451 N ALA A 32 -6.022 -2.879 -7.494 1.00 0.00 N ATOM 452 CA ALA A 32 -5.353 -2.296 -6.344 1.00 0.00 C ATOM 453 C ALA A 32 -6.395 -1.664 -5.419 1.00 0.00 C ATOM 454 O ALA A 32 -6.327 -1.821 -4.201 1.00 0.00 O ATOM 455 CB ALA A 32 -4.307 -1.286 -6.819 1.00 0.00 C ATOM 0 H ALA A 32 -5.746 -2.485 -8.393 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.830 -3.064 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.805 -0.849 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.574 -1.790 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.796 -0.498 -7.392 1.00 0.00 H new ATOM 461 N GLN A 33 -7.337 -0.962 -6.033 1.00 0.00 N ATOM 462 CA GLN A 33 -8.392 -0.306 -5.281 1.00 0.00 C ATOM 463 C GLN A 33 -9.017 -1.282 -4.282 1.00 0.00 C ATOM 464 O GLN A 33 -9.322 -0.907 -3.150 1.00 0.00 O ATOM 465 CB GLN A 33 -9.453 0.275 -6.217 1.00 0.00 C ATOM 466 CG GLN A 33 -10.652 0.803 -5.427 1.00 0.00 C ATOM 467 CD GLN A 33 -10.483 2.289 -5.101 1.00 0.00 C ATOM 468 OE1 GLN A 33 -9.562 2.538 -4.174 1.00 0.00 O flip ATOM 469 NE2 GLN A 33 -11.144 3.152 -5.655 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.391 -0.834 -7.043 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.954 0.522 -4.724 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.019 1.081 -6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.784 -0.492 -6.918 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.565 0.655 -6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.762 0.235 -4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.835 2.892 -6.359 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.005 4.134 -5.415 1.00 0.00 H new ATOM 478 N GLU A 34 -9.191 -2.514 -4.737 1.00 0.00 N ATOM 479 CA GLU A 34 -9.774 -3.546 -3.897 1.00 0.00 C ATOM 480 C GLU A 34 -8.924 -3.754 -2.642 1.00 0.00 C ATOM 481 O GLU A 34 -9.376 -4.365 -1.675 1.00 0.00 O ATOM 482 CB GLU A 34 -9.938 -4.856 -4.671 1.00 0.00 C ATOM 483 CG GLU A 34 -11.072 -4.751 -5.693 1.00 0.00 C ATOM 484 CD GLU A 34 -12.231 -5.679 -5.323 1.00 0.00 C ATOM 485 OE1 GLU A 34 -12.700 -5.568 -4.169 1.00 0.00 O ATOM 486 OE2 GLU A 34 -12.621 -6.478 -6.201 1.00 0.00 O ATOM 0 H GLU A 34 -8.938 -2.821 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.767 -3.217 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.006 -5.101 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.144 -5.670 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.427 -3.722 -5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.698 -5.008 -6.684 1.00 0.00 H new ATOM 493 N ILE A 35 -7.706 -3.234 -2.699 1.00 0.00 N ATOM 494 CA ILE A 35 -6.788 -3.354 -1.579 1.00 0.00 C ATOM 495 C ILE A 35 -6.757 -2.034 -0.806 1.00 0.00 C ATOM 496 O ILE A 35 -6.932 -2.019 0.411 1.00 0.00 O ATOM 497 CB ILE A 35 -5.412 -3.817 -2.062 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.544 -4.879 -3.155 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.555 -4.302 -0.891 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.498 -5.995 -2.724 1.00 0.00 C ATOM 0 H ILE A 35 -7.334 -2.729 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.132 -4.121 -0.885 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.899 -2.963 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.909 -4.418 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.564 -5.300 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.582 -4.625 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.420 -3.489 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.052 -5.138 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.574 -6.736 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.117 -6.470 -1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.484 -5.574 -2.525 1.00 0.00 H new ATOM 512 N LEU A 36 -6.533 -0.957 -1.546 1.00 0.00 N ATOM 513 CA LEU A 36 -6.477 0.365 -0.945 1.00 0.00 C ATOM 514 C LEU A 36 -7.751 0.606 -0.134 1.00 0.00 C ATOM 515 O LEU A 36 -7.699 1.177 0.955 1.00 0.00 O ATOM 516 CB LEU A 36 -6.218 1.428 -2.014 1.00 0.00 C ATOM 517 CG LEU A 36 -5.931 2.840 -1.500 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.485 2.965 -1.016 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.274 3.889 -2.560 1.00 0.00 C ATOM 0 H LEU A 36 -6.388 -0.973 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.639 0.433 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.373 1.105 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.086 1.472 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.575 3.028 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.308 3.979 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.310 2.257 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.805 2.749 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.061 4.884 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.674 3.713 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.332 3.818 -2.814 1.00 0.00 H new ATOM 531 N LYS A 37 -8.865 0.159 -0.694 1.00 0.00 N ATOM 532 CA LYS A 37 -10.151 0.320 -0.036 1.00 0.00 C ATOM 533 C LYS A 37 -10.142 -0.452 1.285 1.00 0.00 C ATOM 534 O LYS A 37 -10.816 -0.065 2.238 1.00 0.00 O ATOM 535 CB LYS A 37 -11.288 -0.083 -0.977 1.00 0.00 C ATOM 536 CG LYS A 37 -11.197 -1.566 -1.344 1.00 0.00 C ATOM 537 CD LYS A 37 -12.294 -2.372 -0.645 1.00 0.00 C ATOM 538 CE LYS A 37 -12.302 -3.822 -1.131 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.687 -4.275 -1.389 1.00 0.00 N ATOM 0 H LYS A 37 -8.904 -0.315 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.327 1.368 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.248 0.119 -0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.247 0.522 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.287 -1.683 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.219 -1.955 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.138 -2.347 0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.265 -1.915 -0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.709 -3.910 -2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.836 -4.465 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.674 -5.261 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.243 -4.210 -0.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.119 -3.672 -2.118 1.00 0.00 H new ATOM 553 N VAL A 38 -9.372 -1.530 1.299 1.00 0.00 N ATOM 554 CA VAL A 38 -9.267 -2.360 2.487 1.00 0.00 C ATOM 555 C VAL A 38 -8.234 -1.752 3.438 1.00 0.00 C ATOM 556 O VAL A 38 -8.554 -1.428 4.581 1.00 0.00 O ATOM 557 CB VAL A 38 -8.940 -3.801 2.091 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.090 -4.745 3.286 1.00 0.00 C ATOM 559 CG2 VAL A 38 -9.809 -4.258 0.918 1.00 0.00 C ATOM 0 H VAL A 38 -8.815 -1.848 0.506 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.219 -2.391 3.017 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.899 -3.832 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.852 -5.763 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.409 -4.438 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.116 -4.708 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.556 -5.286 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.860 -4.204 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.631 -3.611 0.059 1.00 0.00 H new ATOM 569 N VAL A 39 -7.018 -1.615 2.932 1.00 0.00 N ATOM 570 CA VAL A 39 -5.937 -1.052 3.722 1.00 0.00 C ATOM 571 C VAL A 39 -6.421 0.232 4.399 1.00 0.00 C ATOM 572 O VAL A 39 -6.335 0.365 5.619 1.00 0.00 O ATOM 573 CB VAL A 39 -4.703 -0.836 2.843 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.595 -0.121 3.620 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.202 -2.162 2.267 1.00 0.00 C ATOM 0 H VAL A 39 -6.757 -1.885 1.983 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.640 -1.744 4.511 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.993 -0.197 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.730 0.020 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.957 0.850 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.309 -0.723 4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.325 -1.981 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.937 -2.836 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.987 -2.616 1.662 1.00 0.00 H new ATOM 585 N ALA A 40 -6.919 1.144 3.577 1.00 0.00 N ATOM 586 CA ALA A 40 -7.417 2.413 4.081 1.00 0.00 C ATOM 587 C ALA A 40 -8.162 2.177 5.396 1.00 0.00 C ATOM 588 O ALA A 40 -7.977 2.918 6.361 1.00 0.00 O ATOM 589 CB ALA A 40 -8.300 3.073 3.020 1.00 0.00 C ATOM 0 H ALA A 40 -6.988 1.030 2.566 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.592 3.095 4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.673 4.025 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.715 3.246 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.141 2.419 2.789 1.00 0.00 H new ATOM 595 N GLU A 41 -8.990 1.143 5.393 1.00 0.00 N ATOM 596 CA GLU A 41 -9.764 0.800 6.574 1.00 0.00 C ATOM 597 C GLU A 41 -8.847 0.258 7.672 1.00 0.00 C ATOM 598 O GLU A 41 -8.972 0.639 8.835 1.00 0.00 O ATOM 599 CB GLU A 41 -10.866 -0.205 6.234 1.00 0.00 C ATOM 600 CG GLU A 41 -11.578 0.180 4.936 1.00 0.00 C ATOM 601 CD GLU A 41 -13.063 0.455 5.185 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.356 1.552 5.708 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.870 -0.437 4.847 1.00 0.00 O ATOM 0 H GLU A 41 -9.142 0.531 4.591 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.245 1.705 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.436 -1.202 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.588 -0.248 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.108 1.065 4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.471 -0.623 4.206 1.00 0.00 H new ATOM 610 N LYS A 42 -7.945 -0.622 7.263 1.00 0.00 N ATOM 611 CA LYS A 42 -7.006 -1.221 8.197 1.00 0.00 C ATOM 612 C LYS A 42 -6.299 -0.114 8.982 1.00 0.00 C ATOM 613 O LYS A 42 -5.896 -0.319 10.126 1.00 0.00 O ATOM 614 CB LYS A 42 -6.050 -2.164 7.466 1.00 0.00 C ATOM 615 CG LYS A 42 -6.383 -3.626 7.769 1.00 0.00 C ATOM 616 CD LYS A 42 -7.862 -3.917 7.509 1.00 0.00 C ATOM 617 CE LYS A 42 -8.070 -4.493 6.107 1.00 0.00 C ATOM 618 NZ LYS A 42 -8.829 -5.762 6.176 1.00 0.00 N ATOM 0 H LYS A 42 -7.844 -0.935 6.297 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.533 -1.840 8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.111 -1.989 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.024 -1.951 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.766 -4.279 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.142 -3.850 8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.234 -4.620 8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.441 -3.000 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.607 -3.774 5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.105 -4.665 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.611 -6.343 5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.562 -6.280 7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.848 -5.556 6.197 1.00 0.00 H new ATOM 632 N ILE A 43 -6.169 1.035 8.336 1.00 0.00 N ATOM 633 CA ILE A 43 -5.517 2.175 8.959 1.00 0.00 C ATOM 634 C ILE A 43 -6.577 3.192 9.386 1.00 0.00 C ATOM 635 O ILE A 43 -6.312 4.056 10.221 1.00 0.00 O ATOM 636 CB ILE A 43 -4.448 2.754 8.030 1.00 0.00 C ATOM 637 CG1 ILE A 43 -5.054 3.777 7.068 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.704 1.641 7.290 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.960 4.514 6.291 1.00 0.00 C ATOM 0 H ILE A 43 -6.504 1.202 7.387 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.989 1.866 9.861 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.714 3.281 8.640 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.724 3.274 6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.655 4.495 7.626 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.950 2.080 6.636 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.220 0.984 8.013 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.411 1.065 6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.418 5.235 5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.306 5.036 6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.376 3.796 5.715 1.00 0.00 H new ATOM 651 N GLN A 44 -7.755 3.056 8.795 1.00 0.00 N ATOM 652 CA GLN A 44 -8.855 3.953 9.105 1.00 0.00 C ATOM 653 C GLN A 44 -8.652 5.302 8.412 1.00 0.00 C ATOM 654 O GLN A 44 -8.646 6.344 9.065 1.00 0.00 O ATOM 655 CB GLN A 44 -9.010 4.130 10.617 1.00 0.00 C ATOM 656 CG GLN A 44 -8.949 2.781 11.336 1.00 0.00 C ATOM 657 CD GLN A 44 -9.434 2.908 12.781 1.00 0.00 C ATOM 658 OE1 GLN A 44 -10.327 3.677 13.098 1.00 0.00 O ATOM 659 NE2 GLN A 44 -8.799 2.113 13.638 1.00 0.00 N ATOM 0 H GLN A 44 -7.972 2.338 8.103 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.777 3.509 8.729 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.222 4.782 10.993 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.960 4.619 10.834 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.563 2.054 10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.926 2.404 11.324 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.060 1.493 13.307 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.051 2.124 14.626 1.00 0.00 H new ATOM 668 N TYR A 45 -8.489 5.238 7.099 1.00 0.00 N ATOM 669 CA TYR A 45 -8.286 6.442 6.311 1.00 0.00 C ATOM 670 C TYR A 45 -9.218 6.467 5.098 1.00 0.00 C ATOM 671 O TYR A 45 -10.207 5.737 5.055 1.00 0.00 O ATOM 672 CB TYR A 45 -6.837 6.387 5.824 1.00 0.00 C ATOM 673 CG TYR A 45 -5.945 7.490 6.398 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.446 7.377 7.679 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.640 8.598 5.633 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.607 8.415 8.219 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.801 9.636 6.173 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.326 9.494 7.440 1.00 0.00 C ATOM 679 OH TYR A 45 -3.533 10.474 7.950 1.00 0.00 O ATOM 0 H TYR A 45 -8.493 4.372 6.561 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.494 7.331 6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.413 5.418 6.086 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.827 6.455 4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.685 6.510 8.277 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.031 8.686 4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.210 8.339 9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.554 10.508 5.585 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.904 10.085 8.593 1.00 0.00 H new ATOM 689 N ALA A 46 -8.870 7.316 4.142 1.00 0.00 N ATOM 690 CA ALA A 46 -9.664 7.446 2.932 1.00 0.00 C ATOM 691 C ALA A 46 -8.870 6.896 1.745 1.00 0.00 C ATOM 692 O ALA A 46 -7.981 7.567 1.224 1.00 0.00 O ATOM 693 CB ALA A 46 -10.063 8.910 2.738 1.00 0.00 C ATOM 0 H ALA A 46 -8.049 7.920 4.181 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.583 6.865 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.659 9.008 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.649 9.244 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.166 9.523 2.651 1.00 0.00 H new ATOM 699 N GLU A 47 -9.220 5.679 1.353 1.00 0.00 N ATOM 700 CA GLU A 47 -8.551 5.031 0.237 1.00 0.00 C ATOM 701 C GLU A 47 -8.340 6.027 -0.905 1.00 0.00 C ATOM 702 O GLU A 47 -7.266 6.071 -1.504 1.00 0.00 O ATOM 703 CB GLU A 47 -9.339 3.809 -0.239 1.00 0.00 C ATOM 704 CG GLU A 47 -10.802 4.169 -0.505 1.00 0.00 C ATOM 705 CD GLU A 47 -11.570 2.969 -1.063 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.402 2.701 -2.272 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.306 2.347 -0.268 1.00 0.00 O ATOM 0 H GLU A 47 -9.958 5.125 1.788 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.575 4.683 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.887 3.412 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.285 3.022 0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.271 4.507 0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.854 4.998 -1.211 1.00 0.00 H new ATOM 714 N GLU A 48 -9.381 6.801 -1.174 1.00 0.00 N ATOM 715 CA GLU A 48 -9.322 7.792 -2.234 1.00 0.00 C ATOM 716 C GLU A 48 -8.186 8.783 -1.972 1.00 0.00 C ATOM 717 O GLU A 48 -7.542 9.255 -2.907 1.00 0.00 O ATOM 718 CB GLU A 48 -10.661 8.519 -2.380 1.00 0.00 C ATOM 719 CG GLU A 48 -11.065 9.192 -1.067 1.00 0.00 C ATOM 720 CD GLU A 48 -12.586 9.319 -0.961 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.228 8.274 -0.721 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.073 10.459 -1.123 1.00 0.00 O ATOM 0 H GLU A 48 -10.270 6.762 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.120 7.278 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.588 9.267 -3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.432 7.811 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.685 8.613 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.609 10.180 -1.005 1.00 0.00 H new ATOM 729 N ASP A 49 -7.976 9.069 -0.696 1.00 0.00 N ATOM 730 CA ASP A 49 -6.929 9.995 -0.299 1.00 0.00 C ATOM 731 C ASP A 49 -5.581 9.271 -0.313 1.00 0.00 C ATOM 732 O ASP A 49 -4.530 9.908 -0.266 1.00 0.00 O ATOM 733 CB ASP A 49 -7.168 10.522 1.117 1.00 0.00 C ATOM 734 CG ASP A 49 -8.544 11.148 1.351 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.286 11.276 0.353 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.823 11.485 2.522 1.00 0.00 O ATOM 0 H ASP A 49 -8.513 8.676 0.077 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.934 10.830 -1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.035 9.701 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.404 11.265 1.346 1.00 0.00 H new ATOM 741 N LEU A 50 -5.656 7.950 -0.378 1.00 0.00 N ATOM 742 CA LEU A 50 -4.455 7.132 -0.399 1.00 0.00 C ATOM 743 C LEU A 50 -4.197 6.650 -1.828 1.00 0.00 C ATOM 744 O LEU A 50 -4.952 6.974 -2.742 1.00 0.00 O ATOM 745 CB LEU A 50 -4.561 5.998 0.623 1.00 0.00 C ATOM 746 CG LEU A 50 -4.566 6.419 2.094 1.00 0.00 C ATOM 747 CD1 LEU A 50 -4.949 7.893 2.241 1.00 0.00 C ATOM 748 CD2 LEU A 50 -5.472 5.506 2.923 1.00 0.00 C ATOM 0 H LEU A 50 -6.530 7.425 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.588 7.720 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.475 5.439 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.728 5.314 0.464 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.554 6.309 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.945 8.166 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.230 8.511 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.945 8.053 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.457 5.827 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.491 5.561 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.114 4.479 2.855 1.00 0.00 H new ATOM 760 N ALA A 51 -3.126 5.884 -1.975 1.00 0.00 N ATOM 761 CA ALA A 51 -2.758 5.354 -3.277 1.00 0.00 C ATOM 762 C ALA A 51 -1.772 4.199 -3.092 1.00 0.00 C ATOM 763 O ALA A 51 -1.005 4.180 -2.131 1.00 0.00 O ATOM 764 CB ALA A 51 -2.184 6.478 -4.142 1.00 0.00 C ATOM 0 H ALA A 51 -2.501 5.618 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.634 4.960 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.908 6.081 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.933 7.260 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.301 6.895 -3.657 1.00 0.00 H new ATOM 770 N LEU A 52 -1.824 3.263 -4.029 1.00 0.00 N ATOM 771 CA LEU A 52 -0.944 2.108 -3.982 1.00 0.00 C ATOM 772 C LEU A 52 0.419 2.485 -4.564 1.00 0.00 C ATOM 773 O LEU A 52 0.543 2.713 -5.767 1.00 0.00 O ATOM 774 CB LEU A 52 -1.598 0.909 -4.673 1.00 0.00 C ATOM 775 CG LEU A 52 -2.814 0.308 -3.966 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.788 0.622 -2.469 1.00 0.00 C ATOM 777 CD2 LEU A 52 -4.115 0.769 -4.626 1.00 0.00 C ATOM 0 H LEU A 52 -2.462 3.281 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.775 1.800 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.899 1.213 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.847 0.128 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.768 -0.776 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.663 0.183 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.884 0.204 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.798 1.702 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.964 0.327 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.183 1.856 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.126 0.453 -5.669 1.00 0.00 H new ATOM 789 N VAL A 53 1.408 2.540 -3.684 1.00 0.00 N ATOM 790 CA VAL A 53 2.758 2.887 -4.096 1.00 0.00 C ATOM 791 C VAL A 53 3.608 1.616 -4.163 1.00 0.00 C ATOM 792 O VAL A 53 3.929 1.025 -3.133 1.00 0.00 O ATOM 793 CB VAL A 53 3.337 3.945 -3.155 1.00 0.00 C ATOM 794 CG1 VAL A 53 4.861 4.007 -3.272 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.710 5.315 -3.419 1.00 0.00 C ATOM 0 H VAL A 53 1.302 2.350 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 53 2.752 3.327 -5.093 1.00 0.00 H new ATOM 0 HB VAL A 53 3.091 3.656 -2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.247 4.767 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.286 3.038 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.137 4.261 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.139 6.049 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.911 5.615 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.633 5.259 -3.261 1.00 0.00 H new ATOM 805 N ALA A 54 3.948 1.233 -5.385 1.00 0.00 N ATOM 806 CA ALA A 54 4.754 0.044 -5.599 1.00 0.00 C ATOM 807 C ALA A 54 6.214 0.453 -5.805 1.00 0.00 C ATOM 808 O ALA A 54 6.536 1.157 -6.760 1.00 0.00 O ATOM 809 CB ALA A 54 4.196 -0.745 -6.786 1.00 0.00 C ATOM 0 H ALA A 54 3.680 1.725 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 54 4.714 -0.608 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.801 -1.637 -6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.167 -1.037 -6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.222 -0.123 -7.681 1.00 0.00 H new ATOM 815 N ILE A 55 7.058 -0.007 -4.893 1.00 0.00 N ATOM 816 CA ILE A 55 8.476 0.302 -4.963 1.00 0.00 C ATOM 817 C ILE A 55 9.205 -0.827 -5.693 1.00 0.00 C ATOM 818 O ILE A 55 8.705 -1.949 -5.765 1.00 0.00 O ATOM 819 CB ILE A 55 9.031 0.590 -3.566 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.077 1.483 -2.770 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.439 1.185 -3.647 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.810 2.186 -1.626 1.00 0.00 C ATOM 0 H ILE A 55 6.787 -0.591 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 55 8.639 1.212 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 55 9.111 -0.355 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.631 2.226 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.261 0.882 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.810 1.380 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.103 0.481 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.408 2.118 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.109 2.814 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.234 1.441 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.610 2.805 -2.032 1.00 0.00 H new ATOM 834 N THR A 56 10.375 -0.493 -6.217 1.00 0.00 N ATOM 835 CA THR A 56 11.178 -1.465 -6.939 1.00 0.00 C ATOM 836 C THR A 56 12.482 -1.742 -6.189 1.00 0.00 C ATOM 837 O THR A 56 12.745 -1.140 -5.149 1.00 0.00 O ATOM 838 CB THR A 56 11.393 -0.939 -8.359 1.00 0.00 C ATOM 839 OG1 THR A 56 12.191 -1.941 -8.984 1.00 0.00 O ATOM 840 CG2 THR A 56 12.273 0.312 -8.393 1.00 0.00 C ATOM 0 H THR A 56 10.787 0.438 -6.156 1.00 0.00 H new ATOM 0 HA THR A 56 10.669 -2.426 -7.007 1.00 0.00 H new ATOM 0 HB THR A 56 10.427 -0.716 -8.813 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.376 -1.681 -9.910 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.394 0.644 -9.424 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.803 1.104 -7.810 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.250 0.081 -7.969 1.00 0.00 H new ATOM 848 N PHE A 57 13.265 -2.654 -6.746 1.00 0.00 N ATOM 849 CA PHE A 57 14.536 -3.018 -6.144 1.00 0.00 C ATOM 850 C PHE A 57 15.451 -1.798 -6.013 1.00 0.00 C ATOM 851 O PHE A 57 15.917 -1.481 -4.920 1.00 0.00 O ATOM 852 CB PHE A 57 15.196 -4.038 -7.073 1.00 0.00 C ATOM 853 CG PHE A 57 15.995 -5.120 -6.343 1.00 0.00 C ATOM 854 CD1 PHE A 57 15.386 -5.902 -5.412 1.00 0.00 C ATOM 855 CD2 PHE A 57 17.313 -5.301 -6.627 1.00 0.00 C ATOM 856 CE1 PHE A 57 16.127 -6.906 -4.734 1.00 0.00 C ATOM 857 CE2 PHE A 57 18.053 -6.305 -5.949 1.00 0.00 C ATOM 858 CZ PHE A 57 17.445 -7.087 -5.017 1.00 0.00 C ATOM 0 H PHE A 57 13.043 -3.152 -7.608 1.00 0.00 H new ATOM 0 HA PHE A 57 14.371 -3.424 -5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 57 14.425 -4.516 -7.677 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.859 -3.512 -7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.339 -5.760 -5.188 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.796 -4.681 -7.368 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.644 -7.526 -3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.100 -6.448 -6.173 1.00 0.00 H new ATOM 0 HZ PHE A 57 18.008 -7.851 -4.502 1.00 0.00 H new ATOM 868 N SER A 58 15.680 -1.146 -7.144 1.00 0.00 N ATOM 869 CA SER A 58 16.530 0.031 -7.169 1.00 0.00 C ATOM 870 C SER A 58 16.227 0.922 -5.962 1.00 0.00 C ATOM 871 O SER A 58 17.116 1.599 -5.447 1.00 0.00 O ATOM 872 CB SER A 58 16.343 0.817 -8.469 1.00 0.00 C ATOM 873 OG SER A 58 17.552 0.903 -9.219 1.00 0.00 O ATOM 0 H SER A 58 15.291 -1.411 -8.049 1.00 0.00 H new ATOM 0 HA SER A 58 17.569 -0.296 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.574 0.338 -9.075 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.987 1.821 -8.238 1.00 0.00 H new ATOM 0 HG SER A 58 17.391 1.410 -10.042 1.00 0.00 H new ATOM 879 N GLY A 59 14.970 0.892 -5.546 1.00 0.00 N ATOM 880 CA GLY A 59 14.539 1.688 -4.409 1.00 0.00 C ATOM 881 C GLY A 59 13.902 3.001 -4.869 1.00 0.00 C ATOM 882 O GLY A 59 14.453 4.076 -4.638 1.00 0.00 O ATOM 0 H GLY A 59 14.236 0.329 -5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.823 1.121 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.392 1.900 -3.764 1.00 0.00 H new ATOM 886 N GLU A 60 12.751 2.870 -5.512 1.00 0.00 N ATOM 887 CA GLU A 60 12.034 4.033 -6.006 1.00 0.00 C ATOM 888 C GLU A 60 10.524 3.799 -5.925 1.00 0.00 C ATOM 889 O GLU A 60 10.032 2.749 -6.337 1.00 0.00 O ATOM 890 CB GLU A 60 12.460 4.373 -7.436 1.00 0.00 C ATOM 891 CG GLU A 60 11.519 3.731 -8.457 1.00 0.00 C ATOM 892 CD GLU A 60 12.143 3.730 -9.853 1.00 0.00 C ATOM 893 OE1 GLU A 60 12.952 2.813 -10.113 1.00 0.00 O ATOM 894 OE2 GLU A 60 11.797 4.646 -10.630 1.00 0.00 O ATOM 0 H GLU A 60 12.297 1.976 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 60 12.285 4.886 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.464 5.455 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.479 4.026 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.293 2.708 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.574 4.274 -8.478 1.00 0.00 H new ATOM 901 N LYS A 61 9.831 4.794 -5.392 1.00 0.00 N ATOM 902 CA LYS A 61 8.387 4.710 -5.252 1.00 0.00 C ATOM 903 C LYS A 61 7.738 4.815 -6.634 1.00 0.00 C ATOM 904 O LYS A 61 8.273 5.471 -7.527 1.00 0.00 O ATOM 905 CB LYS A 61 7.884 5.756 -4.255 1.00 0.00 C ATOM 906 CG LYS A 61 8.149 5.312 -2.815 1.00 0.00 C ATOM 907 CD LYS A 61 9.062 6.307 -2.095 1.00 0.00 C ATOM 908 CE LYS A 61 10.471 5.735 -1.926 1.00 0.00 C ATOM 909 NZ LYS A 61 11.326 6.119 -3.071 1.00 0.00 N ATOM 0 H LYS A 61 10.243 5.663 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 61 8.100 3.744 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.378 6.709 -4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.816 5.917 -4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.205 5.225 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.609 4.324 -2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.109 7.238 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.644 6.548 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.910 6.101 -0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.422 4.649 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.583 5.269 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.807 6.778 -3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.189 6.581 -2.720 1.00 0.00 H new ATOM 923 N HIS A 62 6.594 4.160 -6.766 1.00 0.00 N ATOM 924 CA HIS A 62 5.867 4.171 -8.024 1.00 0.00 C ATOM 925 C HIS A 62 4.364 4.090 -7.748 1.00 0.00 C ATOM 926 O HIS A 62 3.913 3.229 -6.994 1.00 0.00 O ATOM 927 CB HIS A 62 6.361 3.057 -8.948 1.00 0.00 C ATOM 928 CG HIS A 62 6.853 3.545 -10.290 1.00 0.00 C ATOM 929 ND1 HIS A 62 7.938 4.391 -10.428 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.396 3.295 -11.551 1.00 0.00 C ATOM 931 CE1 HIS A 62 8.118 4.635 -11.718 1.00 0.00 C ATOM 932 NE2 HIS A 62 7.161 3.955 -12.412 1.00 0.00 N ATOM 0 H HIS A 62 6.153 3.618 -6.023 1.00 0.00 H new ATOM 0 HA HIS A 62 6.056 5.108 -8.549 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.167 2.518 -8.451 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.551 2.345 -9.106 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.504 4.764 -9.666 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.555 2.667 -11.805 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.887 5.262 -12.145 1.00 0.00 H new ATOM 940 N GLU A 63 3.630 4.998 -8.375 1.00 0.00 N ATOM 941 CA GLU A 63 2.187 5.039 -8.206 1.00 0.00 C ATOM 942 C GLU A 63 1.491 4.503 -9.459 1.00 0.00 C ATOM 943 O GLU A 63 1.935 4.756 -10.577 1.00 0.00 O ATOM 944 CB GLU A 63 1.714 6.457 -7.881 1.00 0.00 C ATOM 945 CG GLU A 63 0.700 6.448 -6.736 1.00 0.00 C ATOM 946 CD GLU A 63 -0.661 6.967 -7.204 1.00 0.00 C ATOM 947 OE1 GLU A 63 -1.427 6.142 -7.747 1.00 0.00 O ATOM 948 OE2 GLU A 63 -0.905 8.177 -7.008 1.00 0.00 O ATOM 0 H GLU A 63 4.007 5.710 -9.000 1.00 0.00 H new ATOM 0 HA GLU A 63 1.920 4.400 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.569 7.076 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.264 6.906 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.593 5.435 -6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.066 7.066 -5.916 1.00 0.00 H new ATOM 955 N LEU A 64 0.411 3.771 -9.228 1.00 0.00 N ATOM 956 CA LEU A 64 -0.351 3.196 -10.324 1.00 0.00 C ATOM 957 C LEU A 64 -1.804 3.668 -10.232 1.00 0.00 C ATOM 958 O LEU A 64 -2.093 4.677 -9.590 1.00 0.00 O ATOM 959 CB LEU A 64 -0.200 1.674 -10.342 1.00 0.00 C ATOM 960 CG LEU A 64 1.016 1.112 -9.602 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.716 0.931 -8.112 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.501 -0.186 -10.250 1.00 0.00 C ATOM 0 H LEU A 64 0.046 3.563 -8.299 1.00 0.00 H new ATOM 0 HA LEU A 64 0.038 3.543 -11.281 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.099 1.234 -9.910 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.152 1.346 -11.380 1.00 0.00 H new ATOM 0 HG LEU A 64 1.828 1.835 -9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.596 0.530 -7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.455 1.894 -7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.117 0.239 -7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.366 -0.564 -9.705 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.702 -0.927 -10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.781 0.007 -11.286 1.00 0.00 H new ATOM 974 N GLN A 65 -2.679 2.917 -10.884 1.00 0.00 N ATOM 975 CA GLN A 65 -4.094 3.246 -10.884 1.00 0.00 C ATOM 976 C GLN A 65 -4.843 2.372 -9.875 1.00 0.00 C ATOM 977 O GLN A 65 -4.328 1.344 -9.437 1.00 0.00 O ATOM 978 CB GLN A 65 -4.691 3.100 -12.285 1.00 0.00 C ATOM 979 CG GLN A 65 -4.520 4.389 -13.091 1.00 0.00 C ATOM 980 CD GLN A 65 -5.878 4.984 -13.469 1.00 0.00 C ATOM 981 OE1 GLN A 65 -6.925 4.401 -13.241 1.00 0.00 O ATOM 982 NE2 GLN A 65 -5.802 6.174 -14.059 1.00 0.00 N ATOM 0 H GLN A 65 -2.435 2.082 -11.416 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.204 4.288 -10.585 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.207 2.274 -12.806 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.750 2.852 -12.209 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.951 5.114 -12.508 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.945 4.184 -13.994 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.892 6.606 -14.220 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.653 6.654 -14.350 1.00 0.00 H new ATOM 991 N PRO A 66 -6.077 2.824 -9.527 1.00 0.00 N ATOM 992 CA PRO A 66 -6.901 2.095 -8.578 1.00 0.00 C ATOM 993 C PRO A 66 -7.503 0.845 -9.223 1.00 0.00 C ATOM 994 O PRO A 66 -8.151 0.045 -8.549 1.00 0.00 O ATOM 995 CB PRO A 66 -7.953 3.093 -8.123 1.00 0.00 C ATOM 996 CG PRO A 66 -7.966 4.194 -9.171 1.00 0.00 C ATOM 997 CD PRO A 66 -6.719 4.037 -10.026 1.00 0.00 C ATOM 0 HA PRO A 66 -6.332 1.720 -7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.931 2.619 -8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.711 3.494 -7.139 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.863 4.124 -9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.982 5.174 -8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.972 3.945 -11.082 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.062 4.901 -9.930 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.267 0.714 -10.520 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.778 -0.425 -11.263 1.00 0.00 C ATOM 1007 C ASN A 67 -6.611 -1.329 -11.667 1.00 0.00 C ATOM 1008 O ASN A 67 -6.818 -2.388 -12.258 1.00 0.00 O ATOM 1009 CB ASN A 67 -8.492 0.024 -12.539 1.00 0.00 C ATOM 1010 CG ASN A 67 -9.979 0.270 -12.278 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -10.612 -0.391 -11.471 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -10.500 1.255 -13.004 1.00 0.00 N ATOM 0 H ASN A 67 -6.728 1.378 -11.076 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.484 -0.956 -10.624 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.030 0.936 -12.917 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.376 -0.736 -13.312 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.486 1.497 -12.903 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.914 1.769 -13.662 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.411 -0.879 -11.331 1.00 0.00 N ATOM 1020 CA ASP A 68 -4.212 -1.634 -11.652 1.00 0.00 C ATOM 1021 C ASP A 68 -4.154 -2.887 -10.776 1.00 0.00 C ATOM 1022 O ASP A 68 -4.306 -2.804 -9.558 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.953 -0.808 -11.380 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.656 -1.410 -11.924 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -1.042 -2.204 -11.179 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -1.307 -1.063 -13.074 1.00 0.00 O ATOM 0 H ASP A 68 -5.243 -0.001 -10.840 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.251 -1.896 -12.709 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.086 0.183 -11.814 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.850 -0.674 -10.303 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.934 -4.018 -11.430 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.855 -5.286 -10.725 1.00 0.00 C ATOM 1033 C LEU A 69 -2.784 -5.193 -9.636 1.00 0.00 C ATOM 1034 O LEU A 69 -1.792 -4.483 -9.795 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.630 -6.434 -11.712 1.00 0.00 C ATOM 1036 CG LEU A 69 -4.623 -7.595 -11.628 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -6.059 -7.081 -11.512 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -4.450 -8.551 -12.810 1.00 0.00 C ATOM 0 H LEU A 69 -3.808 -4.083 -12.440 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.799 -5.505 -10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.660 -6.029 -12.723 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.626 -6.829 -11.557 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.410 -8.162 -10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.745 -7.926 -11.454 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.156 -6.473 -10.613 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.301 -6.477 -12.387 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.168 -9.367 -12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.621 -8.012 -13.742 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.438 -8.956 -12.805 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.021 -5.921 -8.555 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.089 -5.930 -7.440 1.00 0.00 C ATOM 1052 C VAL A 70 -1.395 -7.292 -7.371 1.00 0.00 C ATOM 1053 O VAL A 70 -1.269 -7.874 -6.296 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.819 -5.565 -6.145 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.631 -4.084 -5.809 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.304 -5.923 -6.233 1.00 0.00 C ATOM 0 H VAL A 70 -3.845 -6.509 -8.427 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.314 -5.177 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.381 -6.150 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.159 -3.851 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.569 -3.871 -5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.030 -3.474 -6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.799 -5.653 -5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.762 -5.377 -7.058 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.411 -6.994 -6.404 1.00 0.00 H new ATOM 1066 N ILE A 71 -0.964 -7.760 -8.533 1.00 0.00 N ATOM 1067 CA ILE A 71 -0.286 -9.042 -8.619 1.00 0.00 C ATOM 1068 C ILE A 71 0.256 -9.234 -10.037 1.00 0.00 C ATOM 1069 O ILE A 71 0.224 -8.310 -10.848 1.00 0.00 O ATOM 1070 CB ILE A 71 -1.212 -10.169 -8.157 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -0.431 -11.242 -7.395 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -1.992 -10.756 -9.335 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -0.874 -11.307 -5.932 1.00 0.00 C ATOM 0 H ILE A 71 -1.071 -7.274 -9.423 1.00 0.00 H new ATOM 0 HA ILE A 71 0.570 -9.066 -7.945 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.942 -9.749 -7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.583 -12.212 -7.868 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.636 -11.026 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.642 -11.555 -8.979 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.596 -9.975 -9.797 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.294 -11.157 -10.070 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.304 -12.077 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.698 -10.343 -5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.936 -11.548 -5.884 1.00 0.00 H new ATOM 1191 N ARG A 80 7.116 -4.650 -3.386 1.00 0.00 N ATOM 1192 CA ARG A 80 6.239 -4.399 -2.255 1.00 0.00 C ATOM 1193 C ARG A 80 5.397 -3.146 -2.505 1.00 0.00 C ATOM 1194 O ARG A 80 5.920 -2.118 -2.934 1.00 0.00 O ATOM 1195 CB ARG A 80 7.041 -4.218 -0.965 1.00 0.00 C ATOM 1196 CG ARG A 80 6.964 -5.471 -0.091 1.00 0.00 C ATOM 1197 CD ARG A 80 8.268 -5.680 0.683 1.00 0.00 C ATOM 1198 NE ARG A 80 8.842 -7.005 0.357 1.00 0.00 N ATOM 1199 CZ ARG A 80 9.636 -7.241 -0.696 1.00 0.00 C ATOM 1200 NH1 ARG A 80 9.954 -6.243 -1.532 1.00 0.00 N ATOM 1201 NH2 ARG A 80 10.111 -8.475 -0.914 1.00 0.00 N ATOM 0 HA ARG A 80 5.585 -5.264 -2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.082 -4.002 -1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.658 -3.360 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.132 -5.381 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.763 -6.342 -0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.980 -4.894 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.080 -5.609 1.754 1.00 0.00 H new ATOM 0 HE ARG A 80 8.619 -7.787 0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.592 -5.304 -1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.558 -6.422 -2.334 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.868 -9.235 -0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.715 -8.655 -1.716 1.00 0.00 H new ATOM 1215 N ILE A 81 4.108 -3.272 -2.225 1.00 0.00 N ATOM 1216 CA ILE A 81 3.189 -2.163 -2.414 1.00 0.00 C ATOM 1217 C ILE A 81 3.083 -1.367 -1.112 1.00 0.00 C ATOM 1218 O ILE A 81 3.293 -1.911 -0.029 1.00 0.00 O ATOM 1219 CB ILE A 81 1.843 -2.666 -2.939 1.00 0.00 C ATOM 1220 CG1 ILE A 81 1.980 -3.221 -4.359 1.00 0.00 C ATOM 1221 CG2 ILE A 81 0.777 -1.571 -2.852 1.00 0.00 C ATOM 1222 CD1 ILE A 81 2.350 -4.705 -4.334 1.00 0.00 C ATOM 0 H ILE A 81 3.678 -4.126 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 81 3.567 -1.481 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 81 1.514 -3.488 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.043 -3.085 -4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.743 -2.661 -4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.170 -1.954 -3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.654 -1.264 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.087 -0.713 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.441 -5.075 -5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.300 -4.834 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.573 -5.265 -3.814 1.00 0.00 H new ATOM 1234 N TYR A 82 2.757 -0.091 -1.261 1.00 0.00 N ATOM 1235 CA TYR A 82 2.621 0.785 -0.110 1.00 0.00 C ATOM 1236 C TYR A 82 1.370 1.658 -0.230 1.00 0.00 C ATOM 1237 O TYR A 82 0.671 1.611 -1.242 1.00 0.00 O ATOM 1238 CB TYR A 82 3.858 1.685 -0.116 1.00 0.00 C ATOM 1239 CG TYR A 82 5.169 0.941 0.148 1.00 0.00 C ATOM 1240 CD1 TYR A 82 5.637 0.021 -0.768 1.00 0.00 C ATOM 1241 CD2 TYR A 82 5.885 1.192 1.301 1.00 0.00 C ATOM 1242 CE1 TYR A 82 6.871 -0.679 -0.520 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.119 0.492 1.549 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.551 -0.409 0.626 1.00 0.00 C ATOM 1245 OH TYR A 82 8.716 -1.070 0.860 1.00 0.00 O ATOM 0 H TYR A 82 2.583 0.357 -2.161 1.00 0.00 H new ATOM 0 HA TYR A 82 2.532 0.202 0.807 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.925 2.187 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.734 2.461 0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.078 -0.174 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.520 1.913 2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.248 -1.402 -1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.689 0.678 2.448 1.00 0.00 H new ATOM 0 HH TYR A 82 9.093 -0.776 1.715 1.00 0.00 H new ATOM 1255 N VAL A 83 1.126 2.434 0.815 1.00 0.00 N ATOM 1256 CA VAL A 83 -0.029 3.316 0.839 1.00 0.00 C ATOM 1257 C VAL A 83 0.369 4.652 1.469 1.00 0.00 C ATOM 1258 O VAL A 83 0.675 4.715 2.659 1.00 0.00 O ATOM 1259 CB VAL A 83 -1.192 2.636 1.563 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.690 1.798 2.741 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.227 3.664 2.024 1.00 0.00 C ATOM 0 H VAL A 83 1.708 2.471 1.652 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.372 3.524 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.679 1.964 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.537 1.325 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.008 1.030 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.167 2.441 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.043 3.154 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.757 4.373 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.619 4.199 1.159 1.00 0.00 H new ATOM 1271 N TYR A 84 0.351 5.688 0.644 1.00 0.00 N ATOM 1272 CA TYR A 84 0.706 7.020 1.105 1.00 0.00 C ATOM 1273 C TYR A 84 -0.533 7.912 1.210 1.00 0.00 C ATOM 1274 O TYR A 84 -1.627 7.509 0.819 1.00 0.00 O ATOM 1275 CB TYR A 84 1.648 7.596 0.046 1.00 0.00 C ATOM 1276 CG TYR A 84 3.062 7.013 0.087 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.250 5.651 -0.033 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.148 7.849 0.245 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.581 5.102 0.005 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.479 7.300 0.284 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.630 5.954 0.162 1.00 0.00 C ATOM 1282 OH TYR A 84 6.886 5.435 0.198 1.00 0.00 O ATOM 0 H TYR A 84 0.096 5.632 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 84 1.166 6.975 2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.221 7.417 -0.941 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.708 8.676 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.399 4.997 -0.155 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.000 8.915 0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.743 4.038 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.338 7.943 0.407 1.00 0.00 H new ATOM 0 HH TYR A 84 6.869 4.513 -0.134 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.318 9.108 1.738 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.403 10.061 1.899 1.00 0.00 C ATOM 1294 C ARG A 85 -1.300 11.166 0.845 1.00 0.00 C ATOM 1295 O ARG A 85 -0.208 11.654 0.558 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.382 10.691 3.293 1.00 0.00 C ATOM 1297 CG ARG A 85 -1.766 9.667 4.363 1.00 0.00 C ATOM 1298 CD ARG A 85 -1.692 10.283 5.762 1.00 0.00 C ATOM 1299 NE ARG A 85 -0.304 10.703 6.057 1.00 0.00 N ATOM 1300 CZ ARG A 85 0.204 11.899 5.730 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -0.557 12.799 5.093 1.00 0.00 N ATOM 1302 NH2 ARG A 85 1.475 12.194 6.038 1.00 0.00 N ATOM 0 H ARG A 85 0.592 9.439 2.060 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.341 9.520 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.388 11.086 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.073 11.533 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.775 9.301 4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.099 8.807 4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.362 11.141 5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.028 9.560 6.505 1.00 0.00 H new ATOM 0 HE ARG A 85 0.304 10.041 6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.523 12.574 4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.170 13.709 4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.055 11.508 6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.862 13.104 5.789 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.451 11.528 0.299 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.503 12.566 -0.717 1.00 0.00 C ATOM 1318 C LYS A 86 -2.672 13.927 -0.039 1.00 0.00 C ATOM 1319 O LYS A 86 -3.653 14.157 0.666 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.590 12.253 -1.748 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.139 11.143 -2.700 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.944 11.176 -4.000 1.00 0.00 C ATOM 1323 CE LYS A 86 -3.328 10.249 -5.050 1.00 0.00 C ATOM 1324 NZ LYS A 86 -3.829 10.590 -6.400 1.00 0.00 N ATOM 0 H LYS A 86 -3.355 11.122 0.541 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.568 12.601 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.504 11.950 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.826 13.152 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.078 11.258 -2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.260 10.173 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.973 10.875 -3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.978 12.195 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.242 10.334 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.571 9.213 -4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.401 9.951 -7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.864 10.486 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.575 11.573 -6.627 1.00 0.00 H new ATOM 1424 N ASN A 93 4.122 11.175 0.812 1.00 0.00 N ATOM 1425 CA ASN A 93 5.127 11.093 1.858 1.00 0.00 C ATOM 1426 C ASN A 93 4.944 9.787 2.634 1.00 0.00 C ATOM 1427 O ASN A 93 3.826 9.293 2.769 1.00 0.00 O ATOM 1428 CB ASN A 93 4.989 12.253 2.845 1.00 0.00 C ATOM 1429 CG ASN A 93 4.420 13.495 2.156 1.00 0.00 C ATOM 1430 OD1 ASN A 93 4.870 13.681 0.919 1.00 0.00 O flip ATOM 1431 ND2 ASN A 93 3.625 14.235 2.712 1.00 0.00 N flip ATOM 0 HA ASN A 93 6.109 11.135 1.387 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.338 11.959 3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.963 12.486 3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.321 14.033 3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.265 15.055 2.224 1.00 0.00 H new ATOM 1438 N PRO A 94 6.088 9.252 3.137 1.00 0.00 N ATOM 1439 CA PRO A 94 6.065 8.014 3.896 1.00 0.00 C ATOM 1440 C PRO A 94 5.513 8.244 5.305 1.00 0.00 C ATOM 1441 O PRO A 94 6.053 9.047 6.064 1.00 0.00 O ATOM 1442 CB PRO A 94 7.504 7.525 3.895 1.00 0.00 C ATOM 1443 CG PRO A 94 8.355 8.733 3.539 1.00 0.00 C ATOM 1444 CD PRO A 94 7.430 9.811 2.997 1.00 0.00 C ATOM 0 HA PRO A 94 5.403 7.266 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.781 7.126 4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.643 6.722 3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.890 9.095 4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.106 8.465 2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.533 10.740 3.558 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.657 10.041 1.956 1.00 0.00 H new ATOM 1452 N PHE A 95 4.443 7.525 5.611 1.00 0.00 N ATOM 1453 CA PHE A 95 3.812 7.641 6.915 1.00 0.00 C ATOM 1454 C PHE A 95 4.860 7.718 8.027 1.00 0.00 C ATOM 1455 O PHE A 95 6.007 7.320 7.832 1.00 0.00 O ATOM 1456 CB PHE A 95 2.965 6.383 7.115 1.00 0.00 C ATOM 1457 CG PHE A 95 1.463 6.606 6.923 1.00 0.00 C ATOM 1458 CD1 PHE A 95 0.716 7.114 7.940 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.876 6.296 5.737 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.677 7.322 7.762 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.518 6.503 5.559 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.265 7.012 6.576 1.00 0.00 C ATOM 0 H PHE A 95 3.997 6.860 4.979 1.00 0.00 H new ATOM 0 HA PHE A 95 3.210 8.548 6.957 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.300 5.617 6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.139 5.996 8.119 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.183 7.359 8.883 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.469 5.892 4.930 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.270 7.727 8.569 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.985 6.256 4.617 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.325 7.170 6.441 1.00 0.00 H new