USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 609 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 60 ASN : amide:sc= -3.27! C(o=-4.3!,f=-12!) USER MOD Set 1.2: A 79 SER OG : rot -105:sc= -1.07 USER MOD Single : A 12 CYS SG : rot 47:sc= -0.0737 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 100:sc= -0.741 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.709) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 121:sc= -3.81! USER MOD Single : A 36 MET CE :methyl 158:sc= 0 (180deg=-0.275) USER MOD Single : A 37 THR OG1 : rot 100:sc= -0.67 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.922 K(o=-0.92,f=-1.4) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.344 X(o=-0.34,f=0.068) USER MOD Single : A 63 ASN : amide:sc= 0.294 X(o=0.29,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00502 USER MOD Single : A 69 HIS : no HD1:sc= -4.02! C(o=-4!,f=-3.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -171:sc=-0.00758 (180deg=-0.147) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.447 -8.605 -12.397 1.00 0.00 N ATOM 84 CA PRO A 9 -0.713 -7.566 -11.398 1.00 0.00 C ATOM 85 C PRO A 9 -0.415 -6.166 -11.924 1.00 0.00 C ATOM 86 O PRO A 9 -0.165 -5.981 -13.116 1.00 0.00 O ATOM 87 CB PRO A 9 0.239 -7.921 -10.254 1.00 0.00 C ATOM 88 CG PRO A 9 1.348 -8.675 -10.904 1.00 0.00 C ATOM 89 CD PRO A 9 0.723 -9.428 -12.046 1.00 0.00 C ATOM 0 HA PRO A 9 -1.763 -7.542 -11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.609 -7.026 -9.754 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.260 -8.526 -9.497 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.124 -7.998 -11.261 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.821 -9.358 -10.199 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.411 -9.528 -12.886 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.431 -10.436 -11.751 1.00 0.00 H new ATOM 97 N ARG A 10 -0.442 -5.184 -11.030 1.00 0.00 N ATOM 98 CA ARG A 10 -0.175 -3.801 -11.405 1.00 0.00 C ATOM 99 C ARG A 10 0.961 -3.220 -10.569 1.00 0.00 C ATOM 100 O ARG A 10 0.877 -3.164 -9.341 1.00 0.00 O ATOM 101 CB ARG A 10 -1.435 -2.951 -11.232 1.00 0.00 C ATOM 102 CG ARG A 10 -1.199 -1.463 -11.438 1.00 0.00 C ATOM 103 CD ARG A 10 -1.098 -1.114 -12.914 1.00 0.00 C ATOM 104 NE ARG A 10 -1.080 0.330 -13.135 1.00 0.00 N ATOM 105 CZ ARG A 10 -1.368 0.898 -14.301 1.00 0.00 C ATOM 106 NH1 ARG A 10 -1.695 0.149 -15.345 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.330 2.219 -14.423 1.00 0.00 N ATOM 0 H ARG A 10 -0.646 -5.320 -10.040 1.00 0.00 H new ATOM 0 HA ARG A 10 0.124 -3.787 -12.453 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.192 -3.291 -11.938 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.837 -3.111 -10.232 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.013 -0.898 -10.984 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.282 -1.165 -10.929 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.192 -1.556 -13.330 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.941 -1.552 -13.449 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.833 0.935 -12.352 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.726 -0.866 -15.254 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.916 0.588 -16.239 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.080 2.798 -13.622 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.551 2.655 -15.318 1.00 0.00 H new ATOM 121 N LEU A 11 2.024 -2.791 -11.241 1.00 0.00 N ATOM 122 CA LEU A 11 3.178 -2.214 -10.560 1.00 0.00 C ATOM 123 C LEU A 11 2.877 -0.798 -10.081 1.00 0.00 C ATOM 124 O LEU A 11 2.689 0.114 -10.887 1.00 0.00 O ATOM 125 CB LEU A 11 4.391 -2.202 -11.492 1.00 0.00 C ATOM 126 CG LEU A 11 5.750 -1.990 -10.824 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.739 -0.722 -9.984 1.00 0.00 C ATOM 128 CD2 LEU A 11 6.117 -3.194 -9.969 1.00 0.00 C ATOM 0 H LEU A 11 2.111 -2.832 -12.256 1.00 0.00 H new ATOM 0 HA LEU A 11 3.401 -2.832 -9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.418 -3.148 -12.032 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.247 -1.416 -12.233 1.00 0.00 H new ATOM 0 HG LEU A 11 6.504 -1.879 -11.604 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.714 -0.587 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.521 0.135 -10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.974 -0.804 -9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.087 -3.026 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.361 -3.336 -9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.166 -4.084 -10.596 1.00 0.00 H new ATOM 140 N CYS A 12 2.835 -0.621 -8.765 1.00 0.00 N ATOM 141 CA CYS A 12 2.558 0.685 -8.177 1.00 0.00 C ATOM 142 C CYS A 12 3.848 1.364 -7.729 1.00 0.00 C ATOM 143 O CYS A 12 4.365 1.085 -6.648 1.00 0.00 O ATOM 144 CB CYS A 12 1.604 0.541 -6.991 1.00 0.00 C ATOM 145 SG CYS A 12 0.035 -0.259 -7.397 1.00 0.00 S ATOM 0 H CYS A 12 2.989 -1.365 -8.085 1.00 0.00 H new ATOM 0 HA CYS A 12 2.087 1.307 -8.939 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.100 -0.032 -6.208 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.400 1.530 -6.581 1.00 0.00 H new ATOM 0 HG CYS A 12 0.262 -1.324 -8.107 1.00 0.00 H new ATOM 151 N TYR A 13 4.363 2.256 -8.569 1.00 0.00 N ATOM 152 CA TYR A 13 5.595 2.972 -8.261 1.00 0.00 C ATOM 153 C TYR A 13 5.321 4.157 -7.340 1.00 0.00 C ATOM 154 O TYR A 13 4.858 5.209 -7.783 1.00 0.00 O ATOM 155 CB TYR A 13 6.263 3.456 -9.549 1.00 0.00 C ATOM 156 CG TYR A 13 7.773 3.494 -9.471 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.520 2.324 -9.535 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.452 4.698 -9.333 1.00 0.00 C ATOM 159 CE1 TYR A 13 9.900 2.353 -9.463 1.00 0.00 C ATOM 160 CE2 TYR A 13 9.831 4.736 -9.263 1.00 0.00 C ATOM 161 CZ TYR A 13 10.550 3.561 -9.328 1.00 0.00 C ATOM 162 OH TYR A 13 11.924 3.595 -9.256 1.00 0.00 O ATOM 0 H TYR A 13 3.946 2.500 -9.468 1.00 0.00 H new ATOM 0 HA TYR A 13 6.267 2.284 -7.747 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.966 2.803 -10.370 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.895 4.454 -9.787 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.014 1.376 -9.643 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.892 5.620 -9.280 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.466 1.434 -9.512 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.343 5.681 -9.158 1.00 0.00 H new ATOM 0 HH TYR A 13 12.224 4.523 -9.163 1.00 0.00 H new ATOM 172 N LEU A 14 5.611 3.979 -6.056 1.00 0.00 N ATOM 173 CA LEU A 14 5.397 5.033 -5.070 1.00 0.00 C ATOM 174 C LEU A 14 6.595 5.975 -5.012 1.00 0.00 C ATOM 175 O LEU A 14 7.740 5.535 -4.902 1.00 0.00 O ATOM 176 CB LEU A 14 5.146 4.424 -3.690 1.00 0.00 C ATOM 177 CG LEU A 14 3.685 4.141 -3.337 1.00 0.00 C ATOM 178 CD1 LEU A 14 2.952 5.436 -3.023 1.00 0.00 C ATOM 179 CD2 LEU A 14 2.996 3.398 -4.472 1.00 0.00 C ATOM 0 H LEU A 14 5.995 3.115 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 14 4.521 5.607 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.703 3.490 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.557 5.097 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 14 3.661 3.509 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.914 5.215 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.431 5.929 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.985 6.093 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.957 3.205 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.030 4.004 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.506 2.451 -4.650 1.00 0.00 H new ATOM 191 N VAL A 15 6.324 7.274 -5.086 1.00 0.00 N ATOM 192 CA VAL A 15 7.379 8.280 -5.038 1.00 0.00 C ATOM 193 C VAL A 15 7.030 9.396 -4.061 1.00 0.00 C ATOM 194 O VAL A 15 6.211 10.266 -4.360 1.00 0.00 O ATOM 195 CB VAL A 15 7.634 8.891 -6.429 1.00 0.00 C ATOM 196 CG1 VAL A 15 8.597 10.064 -6.328 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.167 7.835 -7.385 1.00 0.00 C ATOM 0 H VAL A 15 5.382 7.655 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 15 8.284 7.775 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 15 6.688 9.261 -6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.765 10.483 -7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.172 10.829 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.545 9.722 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.341 8.284 -8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.103 7.433 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.439 7.030 -7.480 1.00 0.00 H new ATOM 207 N LYS A 16 7.657 9.367 -2.890 1.00 0.00 N ATOM 208 CA LYS A 16 7.416 10.378 -1.867 1.00 0.00 C ATOM 209 C LYS A 16 7.512 11.782 -2.455 1.00 0.00 C ATOM 210 O LYS A 16 8.565 12.188 -2.945 1.00 0.00 O ATOM 211 CB LYS A 16 8.420 10.224 -0.722 1.00 0.00 C ATOM 212 CG LYS A 16 9.689 11.036 -0.911 1.00 0.00 C ATOM 213 CD LYS A 16 10.740 10.680 0.127 1.00 0.00 C ATOM 214 CE LYS A 16 10.572 11.504 1.394 1.00 0.00 C ATOM 215 NZ LYS A 16 11.215 12.842 1.275 1.00 0.00 N ATOM 0 H LYS A 16 8.336 8.654 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 16 6.407 10.233 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.943 10.524 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.684 9.171 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.089 10.860 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.455 12.099 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.669 9.620 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.734 10.847 -0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.511 11.629 1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.006 10.966 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.078 13.373 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.233 12.723 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.784 13.366 0.487 1.00 0.00 H new ATOM 229 N GLU A 17 6.406 12.518 -2.402 1.00 0.00 N ATOM 230 CA GLU A 17 6.368 13.877 -2.929 1.00 0.00 C ATOM 231 C GLU A 17 6.694 14.893 -1.839 1.00 0.00 C ATOM 232 O GLU A 17 7.559 15.750 -2.012 1.00 0.00 O ATOM 233 CB GLU A 17 4.991 14.177 -3.527 1.00 0.00 C ATOM 234 CG GLU A 17 3.873 14.197 -2.499 1.00 0.00 C ATOM 235 CD GLU A 17 2.496 14.161 -3.133 1.00 0.00 C ATOM 236 OE1 GLU A 17 2.313 14.801 -4.190 1.00 0.00 O ATOM 237 OE2 GLU A 17 1.602 13.492 -2.573 1.00 0.00 O ATOM 0 H GLU A 17 5.526 12.196 -2.000 1.00 0.00 H new ATOM 0 HA GLU A 17 7.122 13.957 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.026 15.142 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.763 13.428 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.984 13.343 -1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.964 15.094 -1.887 1.00 0.00 H new ATOM 244 N GLY A 18 5.992 14.791 -0.714 1.00 0.00 N ATOM 245 CA GLY A 18 6.220 15.707 0.388 1.00 0.00 C ATOM 246 C GLY A 18 6.357 14.992 1.718 1.00 0.00 C ATOM 247 O GLY A 18 5.545 14.131 2.054 1.00 0.00 O ATOM 0 H GLY A 18 5.270 14.090 -0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.124 16.285 0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.394 16.416 0.444 1.00 0.00 H new ATOM 251 N GLY A 19 7.388 15.349 2.477 1.00 0.00 N ATOM 252 CA GLY A 19 7.610 14.724 3.768 1.00 0.00 C ATOM 253 C GLY A 19 7.572 13.211 3.694 1.00 0.00 C ATOM 254 O GLY A 19 8.604 12.565 3.510 1.00 0.00 O ATOM 0 H GLY A 19 8.074 16.060 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.576 15.041 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.852 15.069 4.471 1.00 0.00 H new ATOM 258 N SER A 20 6.379 12.643 3.839 1.00 0.00 N ATOM 259 CA SER A 20 6.211 11.195 3.793 1.00 0.00 C ATOM 260 C SER A 20 5.415 10.779 2.559 1.00 0.00 C ATOM 261 O SER A 20 4.939 11.624 1.800 1.00 0.00 O ATOM 262 CB SER A 20 5.506 10.702 5.058 1.00 0.00 C ATOM 263 OG SER A 20 5.902 9.380 5.381 1.00 0.00 O ATOM 0 H SER A 20 5.515 13.163 3.989 1.00 0.00 H new ATOM 0 HA SER A 20 7.200 10.741 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.737 11.368 5.890 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.426 10.736 4.913 1.00 0.00 H new ATOM 0 HG SER A 20 5.439 9.089 6.194 1.00 0.00 H new ATOM 269 N TYR A 21 5.276 9.473 2.366 1.00 0.00 N ATOM 270 CA TYR A 21 4.541 8.943 1.223 1.00 0.00 C ATOM 271 C TYR A 21 3.050 9.237 1.351 1.00 0.00 C ATOM 272 O TYR A 21 2.617 9.916 2.281 1.00 0.00 O ATOM 273 CB TYR A 21 4.767 7.435 1.099 1.00 0.00 C ATOM 274 CG TYR A 21 6.089 7.071 0.462 1.00 0.00 C ATOM 275 CD1 TYR A 21 7.290 7.494 1.017 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.136 6.303 -0.695 1.00 0.00 C ATOM 277 CE1 TYR A 21 8.500 7.164 0.438 1.00 0.00 C ATOM 278 CE2 TYR A 21 7.342 5.968 -1.280 1.00 0.00 C ATOM 279 CZ TYR A 21 8.521 6.401 -0.710 1.00 0.00 C ATOM 280 OH TYR A 21 9.724 6.069 -1.289 1.00 0.00 O ATOM 0 H TYR A 21 5.662 8.761 2.986 1.00 0.00 H new ATOM 0 HA TYR A 21 4.914 9.434 0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.715 6.986 2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.958 7.002 0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.278 8.091 1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.215 5.962 -1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 21 9.425 7.502 0.882 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.361 5.370 -2.179 1.00 0.00 H new ATOM 0 HH TYR A 21 9.966 5.153 -1.038 1.00 0.00 H new ATOM 290 N GLY A 22 2.268 8.718 0.409 1.00 0.00 N ATOM 291 CA GLY A 22 0.833 8.934 0.434 1.00 0.00 C ATOM 292 C GLY A 22 0.063 7.674 0.776 1.00 0.00 C ATOM 293 O GLY A 22 -0.954 7.371 0.152 1.00 0.00 O ATOM 0 H GLY A 22 2.603 8.152 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.598 9.709 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.507 9.303 -0.539 1.00 0.00 H new ATOM 297 N PHE A 23 0.548 6.937 1.770 1.00 0.00 N ATOM 298 CA PHE A 23 -0.100 5.701 2.192 1.00 0.00 C ATOM 299 C PHE A 23 0.402 5.266 3.566 1.00 0.00 C ATOM 300 O PHE A 23 1.407 5.776 4.062 1.00 0.00 O ATOM 301 CB PHE A 23 0.153 4.592 1.169 1.00 0.00 C ATOM 302 CG PHE A 23 1.553 4.051 1.206 1.00 0.00 C ATOM 303 CD1 PHE A 23 1.948 3.183 2.212 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.474 4.410 0.235 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.236 2.683 2.248 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.763 3.912 0.267 1.00 0.00 C ATOM 307 CZ PHE A 23 4.145 3.049 1.275 1.00 0.00 C ATOM 0 H PHE A 23 1.388 7.174 2.298 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.172 5.886 2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.548 3.777 1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.053 4.976 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.241 2.894 2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.182 5.086 -0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.531 2.007 3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.471 4.198 -0.496 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.153 2.661 1.302 1.00 0.00 H new ATOM 317 N SER A 24 -0.306 4.320 4.175 1.00 0.00 N ATOM 318 CA SER A 24 0.065 3.818 5.493 1.00 0.00 C ATOM 319 C SER A 24 -0.025 2.296 5.540 1.00 0.00 C ATOM 320 O SER A 24 -0.914 1.696 4.933 1.00 0.00 O ATOM 321 CB SER A 24 -0.840 4.427 6.567 1.00 0.00 C ATOM 322 OG SER A 24 -0.334 5.673 7.013 1.00 0.00 O ATOM 0 H SER A 24 -1.139 3.886 3.777 1.00 0.00 H new ATOM 0 HA SER A 24 1.097 4.110 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.845 4.561 6.167 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.921 3.741 7.410 1.00 0.00 H new ATOM 0 HG SER A 24 -0.931 6.042 7.697 1.00 0.00 H new ATOM 328 N LEU A 25 0.900 1.677 6.265 1.00 0.00 N ATOM 329 CA LEU A 25 0.927 0.224 6.392 1.00 0.00 C ATOM 330 C LEU A 25 0.299 -0.219 7.710 1.00 0.00 C ATOM 331 O LEU A 25 0.159 0.574 8.641 1.00 0.00 O ATOM 332 CB LEU A 25 2.365 -0.289 6.301 1.00 0.00 C ATOM 333 CG LEU A 25 3.085 -0.038 4.976 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.593 -0.092 5.168 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.643 -1.050 3.928 1.00 0.00 C ATOM 0 H LEU A 25 1.641 2.158 6.774 1.00 0.00 H new ATOM 0 HA LEU A 25 0.345 -0.199 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.945 0.173 7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.359 -1.362 6.491 1.00 0.00 H new ATOM 0 HG LEU A 25 2.820 0.959 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.088 0.089 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.896 0.671 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.877 -1.075 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.166 -0.856 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.878 -2.057 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.568 -0.963 3.768 1.00 0.00 H new ATOM 347 N LYS A 26 -0.075 -1.492 7.782 1.00 0.00 N ATOM 348 CA LYS A 26 -0.685 -2.043 8.987 1.00 0.00 C ATOM 349 C LYS A 26 -0.633 -3.567 8.974 1.00 0.00 C ATOM 350 O LYS A 26 -0.503 -4.186 7.917 1.00 0.00 O ATOM 351 CB LYS A 26 -2.136 -1.573 9.110 1.00 0.00 C ATOM 352 CG LYS A 26 -2.997 -1.936 7.912 1.00 0.00 C ATOM 353 CD LYS A 26 -4.432 -1.472 8.096 1.00 0.00 C ATOM 354 CE LYS A 26 -5.276 -2.533 8.786 1.00 0.00 C ATOM 355 NZ LYS A 26 -5.256 -2.380 10.267 1.00 0.00 N ATOM 0 H LYS A 26 0.034 -2.162 7.020 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.119 -1.684 9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.575 -2.008 10.008 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.149 -0.491 9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.580 -1.483 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.979 -3.016 7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.446 -0.555 8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.866 -1.235 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.304 -2.469 8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.906 -3.523 8.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.886 -3.250 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.647 -1.578 10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.222 -2.206 10.611 1.00 0.00 H new ATOM 369 N THR A 27 -0.736 -4.168 10.156 1.00 0.00 N ATOM 370 CA THR A 27 -0.701 -5.620 10.280 1.00 0.00 C ATOM 371 C THR A 27 -2.048 -6.165 10.739 1.00 0.00 C ATOM 372 O THR A 27 -2.777 -5.505 11.479 1.00 0.00 O ATOM 373 CB THR A 27 0.388 -6.073 11.272 1.00 0.00 C ATOM 374 OG1 THR A 27 0.209 -5.414 12.530 1.00 0.00 O ATOM 375 CG2 THR A 27 1.776 -5.769 10.728 1.00 0.00 C ATOM 0 H THR A 27 -0.844 -3.671 11.040 1.00 0.00 H new ATOM 0 HA THR A 27 -0.469 -6.016 9.291 1.00 0.00 H new ATOM 0 HB THR A 27 0.297 -7.150 11.410 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.904 -5.708 13.155 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.528 -6.098 11.445 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.920 -6.295 9.784 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.876 -4.696 10.564 1.00 0.00 H new ATOM 383 N VAL A 28 -2.374 -7.375 10.295 1.00 0.00 N ATOM 384 CA VAL A 28 -3.634 -8.010 10.663 1.00 0.00 C ATOM 385 C VAL A 28 -3.433 -9.488 10.978 1.00 0.00 C ATOM 386 O VAL A 28 -2.603 -10.156 10.363 1.00 0.00 O ATOM 387 CB VAL A 28 -4.680 -7.873 9.540 1.00 0.00 C ATOM 388 CG1 VAL A 28 -6.058 -8.277 10.041 1.00 0.00 C ATOM 389 CG2 VAL A 28 -4.695 -6.452 8.997 1.00 0.00 C ATOM 0 H VAL A 28 -1.783 -7.935 9.680 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.999 -7.498 11.554 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.405 -8.545 8.727 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.783 -8.174 9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.034 -9.314 10.376 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.346 -7.633 10.872 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.439 -6.373 8.205 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.945 -5.758 9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.712 -6.205 8.597 1.00 0.00 H new ATOM 467 N GLY A 33 1.657 -10.761 5.664 1.00 0.00 N ATOM 468 CA GLY A 33 2.512 -9.598 5.809 1.00 0.00 C ATOM 469 C GLY A 33 1.723 -8.317 5.992 1.00 0.00 C ATOM 470 O GLY A 33 0.771 -8.271 6.772 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.171 -9.740 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.148 -9.507 4.929 1.00 0.00 H new ATOM 474 N VAL A 34 2.118 -7.272 5.272 1.00 0.00 N ATOM 475 CA VAL A 34 1.441 -5.983 5.358 1.00 0.00 C ATOM 476 C VAL A 34 0.828 -5.593 4.018 1.00 0.00 C ATOM 477 O VAL A 34 1.040 -6.265 3.008 1.00 0.00 O ATOM 478 CB VAL A 34 2.406 -4.872 5.812 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.483 -4.819 7.331 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.785 -5.084 5.207 1.00 0.00 C ATOM 0 H VAL A 34 2.904 -7.293 4.622 1.00 0.00 H new ATOM 0 HA VAL A 34 0.648 -6.091 6.098 1.00 0.00 H new ATOM 0 HB VAL A 34 2.023 -3.915 5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.170 -4.028 7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.493 -4.615 7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.842 -5.776 7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.454 -4.290 5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.179 -6.048 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.712 -5.066 4.120 1.00 0.00 H new ATOM 490 N TYR A 35 0.068 -4.504 4.016 1.00 0.00 N ATOM 491 CA TYR A 35 -0.578 -4.025 2.800 1.00 0.00 C ATOM 492 C TYR A 35 -0.917 -2.541 2.911 1.00 0.00 C ATOM 493 O TYR A 35 -0.702 -1.921 3.952 1.00 0.00 O ATOM 494 CB TYR A 35 -1.848 -4.830 2.521 1.00 0.00 C ATOM 495 CG TYR A 35 -2.823 -4.842 3.675 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.377 -3.661 4.155 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.193 -6.034 4.286 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.268 -3.667 5.211 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.084 -6.050 5.341 1.00 0.00 C ATOM 500 CZ TYR A 35 -4.619 -4.864 5.800 1.00 0.00 C ATOM 501 OH TYR A 35 -5.508 -4.875 6.851 1.00 0.00 O ATOM 0 H TYR A 35 -0.116 -3.936 4.843 1.00 0.00 H new ATOM 0 HA TYR A 35 0.118 -4.159 1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.344 -4.418 1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.572 -5.856 2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.106 -2.722 3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.776 -6.964 3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.687 -2.740 5.573 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.360 -6.986 5.804 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.285 -5.425 6.617 1.00 0.00 H new ATOM 511 N MET A 36 -1.448 -1.980 1.830 1.00 0.00 N ATOM 512 CA MET A 36 -1.820 -0.570 1.806 1.00 0.00 C ATOM 513 C MET A 36 -3.119 -0.337 2.570 1.00 0.00 C ATOM 514 O MET A 36 -4.046 -1.145 2.500 1.00 0.00 O ATOM 515 CB MET A 36 -1.968 -0.084 0.363 1.00 0.00 C ATOM 516 CG MET A 36 -0.670 -0.118 -0.426 1.00 0.00 C ATOM 517 SD MET A 36 0.497 1.152 0.101 1.00 0.00 S ATOM 518 CE MET A 36 2.043 0.448 -0.467 1.00 0.00 C ATOM 0 H MET A 36 -1.630 -2.480 0.960 1.00 0.00 H new ATOM 0 HA MET A 36 -1.027 -0.002 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.709 -0.701 -0.145 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.353 0.936 0.369 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.208 -1.099 -0.315 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.890 0.013 -1.486 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.784 1.240 -0.579 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.399 -0.282 0.260 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.888 -0.042 -1.428 1.00 0.00 H new ATOM 528 N THR A 37 -3.181 0.773 3.299 1.00 0.00 N ATOM 529 CA THR A 37 -4.366 1.111 4.077 1.00 0.00 C ATOM 530 C THR A 37 -4.437 2.610 4.347 1.00 0.00 C ATOM 531 O THR A 37 -3.415 3.295 4.371 1.00 0.00 O ATOM 532 CB THR A 37 -4.391 0.358 5.420 1.00 0.00 C ATOM 533 OG1 THR A 37 -5.639 0.581 6.085 1.00 0.00 O ATOM 534 CG2 THR A 37 -3.246 0.810 6.315 1.00 0.00 C ATOM 0 H THR A 37 -2.424 1.453 3.367 1.00 0.00 H new ATOM 0 HA THR A 37 -5.229 0.809 3.484 1.00 0.00 H new ATOM 0 HB THR A 37 -4.274 -0.706 5.216 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.228 -0.189 5.942 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.284 0.265 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.296 0.611 5.819 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.337 1.879 6.510 1.00 0.00 H new ATOM 542 N ASP A 38 -5.650 3.113 4.550 1.00 0.00 N ATOM 543 CA ASP A 38 -5.854 4.531 4.820 1.00 0.00 C ATOM 544 C ASP A 38 -5.282 5.387 3.694 1.00 0.00 C ATOM 545 O ASP A 38 -4.781 6.486 3.930 1.00 0.00 O ATOM 546 CB ASP A 38 -5.205 4.917 6.151 1.00 0.00 C ATOM 547 CG ASP A 38 -5.935 6.052 6.843 1.00 0.00 C ATOM 548 OD1 ASP A 38 -7.049 5.815 7.355 1.00 0.00 O ATOM 549 OD2 ASP A 38 -5.393 7.177 6.871 1.00 0.00 O ATOM 0 H ASP A 38 -6.507 2.560 4.533 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.927 4.713 4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.185 4.047 6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.169 5.208 5.976 1.00 0.00 H new ATOM 554 N ILE A 39 -5.360 4.874 2.471 1.00 0.00 N ATOM 555 CA ILE A 39 -4.850 5.592 1.309 1.00 0.00 C ATOM 556 C ILE A 39 -5.208 7.073 1.376 1.00 0.00 C ATOM 557 O ILE A 39 -6.379 7.436 1.488 1.00 0.00 O ATOM 558 CB ILE A 39 -5.401 5.002 -0.003 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.989 3.535 -0.140 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.909 5.809 -1.195 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.491 3.327 -0.164 1.00 0.00 C ATOM 0 H ILE A 39 -5.771 3.965 2.259 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.766 5.482 1.321 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.489 5.054 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.413 2.968 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.419 3.130 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.307 5.379 -2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.247 6.841 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.820 5.786 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.273 2.264 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.062 3.866 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.057 3.702 0.763 1.00 0.00 H new ATOM 573 N THR A 40 -4.190 7.925 1.307 1.00 0.00 N ATOM 574 CA THR A 40 -4.396 9.367 1.360 1.00 0.00 C ATOM 575 C THR A 40 -4.894 9.900 0.022 1.00 0.00 C ATOM 576 O THR A 40 -4.335 9.612 -1.036 1.00 0.00 O ATOM 577 CB THR A 40 -3.100 10.106 1.743 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.838 9.943 3.142 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.202 11.586 1.411 1.00 0.00 C ATOM 0 H THR A 40 -3.215 7.641 1.214 1.00 0.00 H new ATOM 0 HA THR A 40 -5.150 9.551 2.125 1.00 0.00 H new ATOM 0 HB THR A 40 -2.280 9.677 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.012 10.414 3.377 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.275 12.086 1.691 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.372 11.708 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.033 12.026 1.963 1.00 0.00 H new ATOM 587 N PRO A 41 -5.971 10.698 0.066 1.00 0.00 N ATOM 588 CA PRO A 41 -6.568 11.290 -1.135 1.00 0.00 C ATOM 589 C PRO A 41 -5.679 12.362 -1.756 1.00 0.00 C ATOM 590 O PRO A 41 -5.131 13.210 -1.053 1.00 0.00 O ATOM 591 CB PRO A 41 -7.868 11.910 -0.616 1.00 0.00 C ATOM 592 CG PRO A 41 -7.612 12.177 0.827 1.00 0.00 C ATOM 593 CD PRO A 41 -6.689 11.085 1.293 1.00 0.00 C ATOM 0 HA PRO A 41 -6.716 10.551 -1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.110 12.828 -1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.711 11.232 -0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.158 13.158 0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.542 12.171 1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.005 11.439 2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.241 10.246 1.717 1.00 0.00 H new ATOM 601 N GLN A 42 -5.540 12.316 -3.077 1.00 0.00 N ATOM 602 CA GLN A 42 -4.716 13.283 -3.793 1.00 0.00 C ATOM 603 C GLN A 42 -3.273 13.239 -3.301 1.00 0.00 C ATOM 604 O GLN A 42 -2.643 14.276 -3.101 1.00 0.00 O ATOM 605 CB GLN A 42 -5.283 14.693 -3.621 1.00 0.00 C ATOM 606 CG GLN A 42 -6.482 14.980 -4.510 1.00 0.00 C ATOM 607 CD GLN A 42 -7.559 13.919 -4.397 1.00 0.00 C ATOM 608 OE1 GLN A 42 -8.263 13.837 -3.390 1.00 0.00 O ATOM 609 NE2 GLN A 42 -7.694 13.100 -5.433 1.00 0.00 N ATOM 0 H GLN A 42 -5.987 11.620 -3.673 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.728 13.020 -4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.571 14.835 -2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.499 15.419 -3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.903 15.950 -4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.153 15.049 -5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.089 13.204 -6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.403 12.367 -5.415 1.00 0.00 H new ATOM 618 N GLY A 43 -2.756 12.029 -3.106 1.00 0.00 N ATOM 619 CA GLY A 43 -1.392 11.872 -2.638 1.00 0.00 C ATOM 620 C GLY A 43 -0.556 11.013 -3.566 1.00 0.00 C ATOM 621 O GLY A 43 -0.995 10.659 -4.660 1.00 0.00 O ATOM 0 H GLY A 43 -3.258 11.155 -3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.929 12.854 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.401 11.425 -1.644 1.00 0.00 H new ATOM 625 N VAL A 44 0.654 10.676 -3.129 1.00 0.00 N ATOM 626 CA VAL A 44 1.553 9.853 -3.928 1.00 0.00 C ATOM 627 C VAL A 44 0.880 8.551 -4.348 1.00 0.00 C ATOM 628 O VAL A 44 0.550 8.360 -5.518 1.00 0.00 O ATOM 629 CB VAL A 44 2.846 9.525 -3.158 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.730 8.591 -3.972 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.592 10.802 -2.802 1.00 0.00 C ATOM 0 H VAL A 44 1.033 10.961 -2.226 1.00 0.00 H new ATOM 0 HA VAL A 44 1.805 10.431 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 44 2.578 9.017 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.639 8.370 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.193 7.664 -4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.992 9.069 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.503 10.552 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.850 11.339 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.958 11.432 -2.177 1.00 0.00 H new ATOM 641 N ALA A 45 0.680 7.658 -3.384 1.00 0.00 N ATOM 642 CA ALA A 45 0.044 6.374 -3.653 1.00 0.00 C ATOM 643 C ALA A 45 -1.164 6.541 -4.569 1.00 0.00 C ATOM 644 O ALA A 45 -1.182 6.026 -5.687 1.00 0.00 O ATOM 645 CB ALA A 45 -0.369 5.707 -2.349 1.00 0.00 C ATOM 0 H ALA A 45 0.949 7.800 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 45 0.768 5.737 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.843 4.749 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.512 5.545 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.073 6.349 -1.819 1.00 0.00 H new ATOM 651 N MET A 46 -2.170 7.263 -4.089 1.00 0.00 N ATOM 652 CA MET A 46 -3.382 7.498 -4.866 1.00 0.00 C ATOM 653 C MET A 46 -3.040 7.972 -6.275 1.00 0.00 C ATOM 654 O MET A 46 -3.847 7.844 -7.196 1.00 0.00 O ATOM 655 CB MET A 46 -4.269 8.530 -4.168 1.00 0.00 C ATOM 656 CG MET A 46 -5.709 8.522 -4.655 1.00 0.00 C ATOM 657 SD MET A 46 -6.484 6.901 -4.505 1.00 0.00 S ATOM 658 CE MET A 46 -7.851 7.279 -3.411 1.00 0.00 C ATOM 0 H MET A 46 -2.171 7.696 -3.165 1.00 0.00 H new ATOM 0 HA MET A 46 -3.925 6.556 -4.941 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.256 8.341 -3.095 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.847 9.523 -4.322 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.285 9.250 -4.084 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.738 8.839 -5.697 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.427 6.373 -3.223 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.466 7.667 -2.468 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.493 8.027 -3.876 1.00 0.00 H new ATOM 668 N ARG A 47 -1.840 8.520 -6.435 1.00 0.00 N ATOM 669 CA ARG A 47 -1.393 9.015 -7.732 1.00 0.00 C ATOM 670 C ARG A 47 -0.637 7.932 -8.496 1.00 0.00 C ATOM 671 O ARG A 47 -0.691 7.873 -9.724 1.00 0.00 O ATOM 672 CB ARG A 47 -0.501 10.244 -7.552 1.00 0.00 C ATOM 673 CG ARG A 47 -0.159 10.945 -8.857 1.00 0.00 C ATOM 674 CD ARG A 47 -1.184 12.016 -9.198 1.00 0.00 C ATOM 675 NE ARG A 47 -0.690 12.941 -10.215 1.00 0.00 N ATOM 676 CZ ARG A 47 0.306 13.796 -10.009 1.00 0.00 C ATOM 677 NH1 ARG A 47 0.911 13.843 -8.830 1.00 0.00 N ATOM 678 NH2 ARG A 47 0.698 14.607 -10.984 1.00 0.00 N ATOM 0 H ARG A 47 -1.160 8.633 -5.683 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.274 9.295 -8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.000 10.951 -6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.423 9.943 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.830 11.397 -8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.113 10.213 -9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.099 11.542 -9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.441 12.572 -8.296 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.134 12.930 -11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.612 13.222 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.675 14.500 -8.675 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.235 14.574 -11.892 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.463 15.263 -10.825 1.00 0.00 H new ATOM 692 N ALA A 48 0.066 7.078 -7.760 1.00 0.00 N ATOM 693 CA ALA A 48 0.832 5.996 -8.368 1.00 0.00 C ATOM 694 C ALA A 48 -0.091 4.948 -8.981 1.00 0.00 C ATOM 695 O ALA A 48 0.300 4.219 -9.891 1.00 0.00 O ATOM 696 CB ALA A 48 1.750 5.356 -7.338 1.00 0.00 C ATOM 0 H ALA A 48 0.121 7.114 -6.742 1.00 0.00 H new ATOM 0 HA ALA A 48 1.440 6.419 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.316 4.550 -7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.440 6.105 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.154 4.953 -6.519 1.00 0.00 H new ATOM 702 N GLY A 49 -1.319 4.878 -8.475 1.00 0.00 N ATOM 703 CA GLY A 49 -2.277 3.915 -8.985 1.00 0.00 C ATOM 704 C GLY A 49 -2.537 2.784 -8.010 1.00 0.00 C ATOM 705 O GLY A 49 -2.988 1.708 -8.402 1.00 0.00 O ATOM 0 H GLY A 49 -1.667 5.471 -7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.216 4.423 -9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.909 3.503 -9.925 1.00 0.00 H new ATOM 709 N VAL A 50 -2.248 3.025 -6.735 1.00 0.00 N ATOM 710 CA VAL A 50 -2.453 2.018 -5.701 1.00 0.00 C ATOM 711 C VAL A 50 -3.788 2.219 -4.993 1.00 0.00 C ATOM 712 O VAL A 50 -4.212 3.351 -4.756 1.00 0.00 O ATOM 713 CB VAL A 50 -1.321 2.048 -4.657 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.276 3.397 -3.957 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.495 0.921 -3.650 1.00 0.00 C ATOM 0 H VAL A 50 -1.871 3.909 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.453 1.049 -6.199 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.372 1.901 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.470 3.399 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.100 4.183 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.226 3.578 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.686 0.957 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.451 1.034 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.472 -0.037 -4.169 1.00 0.00 H new ATOM 725 N LEU A 51 -4.445 1.115 -4.657 1.00 0.00 N ATOM 726 CA LEU A 51 -5.734 1.170 -3.975 1.00 0.00 C ATOM 727 C LEU A 51 -5.666 0.459 -2.627 1.00 0.00 C ATOM 728 O LEU A 51 -4.774 -0.353 -2.386 1.00 0.00 O ATOM 729 CB LEU A 51 -6.821 0.537 -4.845 1.00 0.00 C ATOM 730 CG LEU A 51 -6.530 -0.872 -5.363 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.002 -1.917 -4.364 1.00 0.00 C ATOM 732 CD2 LEU A 51 -7.191 -1.089 -6.717 1.00 0.00 C ATOM 0 H LEU A 51 -4.107 0.171 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.982 2.217 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.747 0.507 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.998 1.188 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.452 -0.978 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.786 -2.913 -4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.483 -1.775 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.076 -1.813 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.974 -2.097 -7.071 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.269 -0.963 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.804 -0.362 -7.431 1.00 0.00 H new ATOM 744 N ALA A 52 -6.618 0.769 -1.752 1.00 0.00 N ATOM 745 CA ALA A 52 -6.669 0.157 -0.430 1.00 0.00 C ATOM 746 C ALA A 52 -6.796 -1.359 -0.532 1.00 0.00 C ATOM 747 O ALA A 52 -7.105 -1.896 -1.596 1.00 0.00 O ATOM 748 CB ALA A 52 -7.826 0.732 0.373 1.00 0.00 C ATOM 0 H ALA A 52 -7.364 1.440 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.735 0.384 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.852 0.266 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.693 1.808 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.763 0.534 -0.147 1.00 0.00 H new ATOM 754 N ASP A 53 -6.553 -2.044 0.580 1.00 0.00 N ATOM 755 CA ASP A 53 -6.641 -3.499 0.616 1.00 0.00 C ATOM 756 C ASP A 53 -5.755 -4.124 -0.457 1.00 0.00 C ATOM 757 O ASP A 53 -6.151 -5.079 -1.125 1.00 0.00 O ATOM 758 CB ASP A 53 -8.090 -3.950 0.424 1.00 0.00 C ATOM 759 CG ASP A 53 -9.041 -3.266 1.387 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.873 -3.442 2.612 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.952 -2.555 0.916 1.00 0.00 O ATOM 0 H ASP A 53 -6.294 -1.615 1.468 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.291 -3.834 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.400 -3.740 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.153 -5.030 0.561 1.00 0.00 H new ATOM 766 N ASP A 54 -4.555 -3.577 -0.618 1.00 0.00 N ATOM 767 CA ASP A 54 -3.612 -4.080 -1.611 1.00 0.00 C ATOM 768 C ASP A 54 -2.514 -4.906 -0.948 1.00 0.00 C ATOM 769 O ASP A 54 -1.561 -4.359 -0.393 1.00 0.00 O ATOM 770 CB ASP A 54 -2.993 -2.920 -2.392 1.00 0.00 C ATOM 771 CG ASP A 54 -3.778 -2.582 -3.645 1.00 0.00 C ATOM 772 OD1 ASP A 54 -4.564 -3.437 -4.100 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.604 -1.462 -4.169 1.00 0.00 O ATOM 0 H ASP A 54 -4.212 -2.785 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.158 -4.722 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.942 -2.040 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.969 -3.175 -2.666 1.00 0.00 H new ATOM 778 N HIS A 55 -2.655 -6.226 -1.008 1.00 0.00 N ATOM 779 CA HIS A 55 -1.676 -7.128 -0.413 1.00 0.00 C ATOM 780 C HIS A 55 -0.297 -6.918 -1.032 1.00 0.00 C ATOM 781 O HIS A 55 -0.133 -7.000 -2.251 1.00 0.00 O ATOM 782 CB HIS A 55 -2.113 -8.582 -0.595 1.00 0.00 C ATOM 783 CG HIS A 55 -1.118 -9.576 -0.079 1.00 0.00 C ATOM 784 ND1 HIS A 55 -0.858 -10.775 -0.706 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.317 -9.541 1.012 1.00 0.00 C ATOM 786 CE1 HIS A 55 0.059 -11.437 -0.023 1.00 0.00 C ATOM 787 NE2 HIS A 55 0.405 -10.710 1.023 1.00 0.00 N ATOM 0 H HIS A 55 -3.438 -6.695 -1.463 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.615 -6.906 0.652 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.064 -8.734 -0.084 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.287 -8.771 -1.654 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.257 -8.743 1.738 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.458 -12.408 -0.277 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.096 -10.973 1.725 1.00 0.00 H new ATOM 796 N LEU A 56 0.691 -6.646 -0.187 1.00 0.00 N ATOM 797 CA LEU A 56 2.055 -6.423 -0.651 1.00 0.00 C ATOM 798 C LEU A 56 2.669 -7.716 -1.179 1.00 0.00 C ATOM 799 O LEU A 56 2.715 -8.725 -0.475 1.00 0.00 O ATOM 800 CB LEU A 56 2.916 -5.863 0.483 1.00 0.00 C ATOM 801 CG LEU A 56 2.973 -4.339 0.591 1.00 0.00 C ATOM 802 CD1 LEU A 56 3.596 -3.921 1.914 1.00 0.00 C ATOM 803 CD2 LEU A 56 3.751 -3.750 -0.576 1.00 0.00 C ATOM 0 H LEU A 56 0.573 -6.575 0.824 1.00 0.00 H new ATOM 0 HA LEU A 56 2.021 -5.699 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.542 -6.261 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.932 -6.237 0.360 1.00 0.00 H new ATOM 0 HG LEU A 56 1.954 -3.953 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.628 -2.833 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.998 -4.312 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.609 -4.318 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.781 -2.664 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.768 -4.143 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.262 -4.020 -1.512 1.00 0.00 H new ATOM 815 N ILE A 57 3.141 -7.677 -2.420 1.00 0.00 N ATOM 816 CA ILE A 57 3.755 -8.845 -3.040 1.00 0.00 C ATOM 817 C ILE A 57 5.276 -8.778 -2.953 1.00 0.00 C ATOM 818 O ILE A 57 5.944 -9.800 -2.802 1.00 0.00 O ATOM 819 CB ILE A 57 3.343 -8.980 -4.518 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.819 -8.928 -4.652 1.00 0.00 C ATOM 821 CG2 ILE A 57 3.888 -10.274 -5.104 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.119 -10.127 -4.052 1.00 0.00 C ATOM 0 H ILE A 57 3.110 -6.850 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 57 3.400 -9.717 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 57 3.767 -8.145 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.450 -8.023 -4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.557 -8.855 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.588 -10.355 -6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.976 -10.274 -5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.491 -11.122 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.042 -10.023 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.459 -11.034 -4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.351 -10.189 -2.989 1.00 0.00 H new ATOM 834 N GLU A 58 5.816 -7.566 -3.047 1.00 0.00 N ATOM 835 CA GLU A 58 7.259 -7.366 -2.977 1.00 0.00 C ATOM 836 C GLU A 58 7.604 -5.880 -3.007 1.00 0.00 C ATOM 837 O GLU A 58 6.757 -5.041 -3.310 1.00 0.00 O ATOM 838 CB GLU A 58 7.952 -8.086 -4.136 1.00 0.00 C ATOM 839 CG GLU A 58 7.630 -7.496 -5.499 1.00 0.00 C ATOM 840 CD GLU A 58 8.122 -6.069 -5.647 1.00 0.00 C ATOM 841 OE1 GLU A 58 9.351 -5.871 -5.745 1.00 0.00 O ATOM 842 OE2 GLU A 58 7.276 -5.150 -5.666 1.00 0.00 O ATOM 0 H GLU A 58 5.277 -6.709 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 58 7.613 -7.784 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.030 -8.053 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.661 -9.136 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.082 -8.115 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.552 -7.523 -5.657 1.00 0.00 H new ATOM 849 N VAL A 59 8.855 -5.563 -2.689 1.00 0.00 N ATOM 850 CA VAL A 59 9.314 -4.179 -2.679 1.00 0.00 C ATOM 851 C VAL A 59 10.684 -4.050 -3.335 1.00 0.00 C ATOM 852 O VAL A 59 11.582 -4.852 -3.083 1.00 0.00 O ATOM 853 CB VAL A 59 9.389 -3.623 -1.245 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.900 -2.190 -1.254 1.00 0.00 C ATOM 855 CG2 VAL A 59 8.029 -3.708 -0.569 1.00 0.00 C ATOM 0 H VAL A 59 9.569 -6.246 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 59 8.586 -3.600 -3.247 1.00 0.00 H new ATOM 0 HB VAL A 59 10.092 -4.231 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.946 -1.814 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.896 -2.162 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.225 -1.567 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.101 -3.311 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.303 -3.126 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.707 -4.749 -0.529 1.00 0.00 H new ATOM 865 N ASN A 60 10.838 -3.034 -4.178 1.00 0.00 N ATOM 866 CA ASN A 60 12.099 -2.799 -4.871 1.00 0.00 C ATOM 867 C ASN A 60 12.759 -4.118 -5.261 1.00 0.00 C ATOM 868 O ASN A 60 13.984 -4.214 -5.333 1.00 0.00 O ATOM 869 CB ASN A 60 13.046 -1.984 -3.987 1.00 0.00 C ATOM 870 CG ASN A 60 12.321 -0.910 -3.199 1.00 0.00 C ATOM 871 OD1 ASN A 60 11.424 -0.244 -3.717 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.708 -0.737 -1.941 1.00 0.00 N ATOM 0 H ASN A 60 10.105 -2.360 -4.398 1.00 0.00 H new ATOM 0 HA ASN A 60 11.886 -2.237 -5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.560 -2.653 -3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.811 -1.520 -4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.257 -0.029 -1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.456 -1.312 -1.554 1.00 0.00 H new ATOM 879 N GLY A 61 11.938 -5.133 -5.514 1.00 0.00 N ATOM 880 CA GLY A 61 12.459 -6.432 -5.894 1.00 0.00 C ATOM 881 C GLY A 61 12.713 -7.328 -4.698 1.00 0.00 C ATOM 882 O GLY A 61 13.680 -8.089 -4.679 1.00 0.00 O ATOM 0 H GLY A 61 10.921 -5.078 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.754 -6.920 -6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.388 -6.299 -6.448 1.00 0.00 H new ATOM 886 N GLU A 62 11.842 -7.237 -3.697 1.00 0.00 N ATOM 887 CA GLU A 62 11.979 -8.045 -2.491 1.00 0.00 C ATOM 888 C GLU A 62 10.615 -8.516 -1.995 1.00 0.00 C ATOM 889 O GLU A 62 9.832 -7.732 -1.460 1.00 0.00 O ATOM 890 CB GLU A 62 12.686 -7.247 -1.394 1.00 0.00 C ATOM 891 CG GLU A 62 14.201 -7.352 -1.445 1.00 0.00 C ATOM 892 CD GLU A 62 14.831 -6.276 -2.308 1.00 0.00 C ATOM 893 OE1 GLU A 62 14.119 -5.705 -3.160 1.00 0.00 O ATOM 894 OE2 GLU A 62 16.037 -6.004 -2.130 1.00 0.00 O ATOM 0 H GLU A 62 11.035 -6.613 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 62 12.579 -8.921 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.400 -6.199 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.339 -7.596 -0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.601 -7.282 -0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.481 -8.332 -1.831 1.00 0.00 H new ATOM 901 N ASN A 63 10.338 -9.803 -2.176 1.00 0.00 N ATOM 902 CA ASN A 63 9.069 -10.380 -1.747 1.00 0.00 C ATOM 903 C ASN A 63 8.774 -10.026 -0.293 1.00 0.00 C ATOM 904 O ASN A 63 9.551 -10.349 0.606 1.00 0.00 O ATOM 905 CB ASN A 63 9.091 -11.900 -1.920 1.00 0.00 C ATOM 906 CG ASN A 63 8.820 -12.323 -3.351 1.00 0.00 C ATOM 907 OD1 ASN A 63 9.691 -12.877 -4.022 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.606 -12.064 -3.824 1.00 0.00 N ATOM 0 H ASN A 63 10.975 -10.466 -2.617 1.00 0.00 H new ATOM 0 HA ASN A 63 8.279 -9.962 -2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.062 -12.284 -1.608 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.345 -12.348 -1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.364 -12.326 -4.780 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.916 -11.603 -3.232 1.00 0.00 H new ATOM 915 N VAL A 64 7.645 -9.362 -0.068 1.00 0.00 N ATOM 916 CA VAL A 64 7.246 -8.965 1.277 1.00 0.00 C ATOM 917 C VAL A 64 5.875 -9.530 1.632 1.00 0.00 C ATOM 918 O VAL A 64 5.242 -9.091 2.592 1.00 0.00 O ATOM 919 CB VAL A 64 7.211 -7.433 1.423 1.00 0.00 C ATOM 920 CG1 VAL A 64 8.616 -6.856 1.343 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.312 -6.817 0.362 1.00 0.00 C ATOM 0 H VAL A 64 6.990 -9.087 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 64 7.992 -9.370 1.961 1.00 0.00 H new ATOM 0 HB VAL A 64 6.799 -7.189 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.571 -5.772 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.227 -7.273 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.059 -7.109 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.299 -5.734 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.692 -7.069 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.300 -7.206 0.472 1.00 0.00 H new ATOM 931 N GLU A 65 5.423 -10.507 0.852 1.00 0.00 N ATOM 932 CA GLU A 65 4.126 -11.132 1.084 1.00 0.00 C ATOM 933 C GLU A 65 3.949 -11.484 2.559 1.00 0.00 C ATOM 934 O GLU A 65 3.016 -11.015 3.212 1.00 0.00 O ATOM 935 CB GLU A 65 3.980 -12.391 0.227 1.00 0.00 C ATOM 936 CG GLU A 65 3.549 -12.107 -1.202 1.00 0.00 C ATOM 937 CD GLU A 65 2.912 -13.311 -1.869 1.00 0.00 C ATOM 938 OE1 GLU A 65 3.652 -14.123 -2.461 1.00 0.00 O ATOM 939 OE2 GLU A 65 1.671 -13.439 -1.798 1.00 0.00 O ATOM 0 H GLU A 65 5.936 -10.883 0.054 1.00 0.00 H new ATOM 0 HA GLU A 65 3.352 -10.418 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.931 -12.923 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.251 -13.055 0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.842 -11.277 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.415 -11.790 -1.783 1.00 0.00 H new ATOM 946 N ASP A 66 4.849 -12.312 3.075 1.00 0.00 N ATOM 947 CA ASP A 66 4.794 -12.727 4.472 1.00 0.00 C ATOM 948 C ASP A 66 5.922 -12.088 5.275 1.00 0.00 C ATOM 949 O ASP A 66 6.530 -12.730 6.130 1.00 0.00 O ATOM 950 CB ASP A 66 4.876 -14.251 4.577 1.00 0.00 C ATOM 951 CG ASP A 66 4.921 -14.731 6.014 1.00 0.00 C ATOM 952 OD1 ASP A 66 4.424 -14.003 6.899 1.00 0.00 O ATOM 953 OD2 ASP A 66 5.453 -15.835 6.255 1.00 0.00 O ATOM 0 H ASP A 66 5.626 -12.710 2.547 1.00 0.00 H new ATOM 0 HA ASP A 66 3.843 -12.392 4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.015 -14.694 4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.765 -14.601 4.052 1.00 0.00 H new ATOM 958 N ALA A 67 6.198 -10.819 4.991 1.00 0.00 N ATOM 959 CA ALA A 67 7.252 -10.092 5.687 1.00 0.00 C ATOM 960 C ALA A 67 6.676 -9.209 6.788 1.00 0.00 C ATOM 961 O ALA A 67 5.610 -8.615 6.627 1.00 0.00 O ATOM 962 CB ALA A 67 8.055 -9.255 4.702 1.00 0.00 C ATOM 0 H ALA A 67 5.706 -10.273 4.283 1.00 0.00 H new ATOM 0 HA ALA A 67 7.915 -10.821 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.839 -8.717 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.507 -9.907 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.396 -8.540 4.210 1.00 0.00 H new ATOM 968 N SER A 68 7.388 -9.127 7.908 1.00 0.00 N ATOM 969 CA SER A 68 6.944 -8.320 9.038 1.00 0.00 C ATOM 970 C SER A 68 6.946 -6.837 8.680 1.00 0.00 C ATOM 971 O SER A 68 7.704 -6.395 7.817 1.00 0.00 O ATOM 972 CB SER A 68 7.844 -8.564 10.251 1.00 0.00 C ATOM 973 OG SER A 68 7.849 -7.442 11.117 1.00 0.00 O ATOM 0 H SER A 68 8.274 -9.610 8.057 1.00 0.00 H new ATOM 0 HA SER A 68 5.924 -8.615 9.285 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.498 -9.444 10.793 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.860 -8.774 9.917 1.00 0.00 H new ATOM 0 HG SER A 68 8.430 -7.624 11.885 1.00 0.00 H new ATOM 979 N HIS A 69 6.090 -6.071 9.350 1.00 0.00 N ATOM 980 CA HIS A 69 5.992 -4.637 9.104 1.00 0.00 C ATOM 981 C HIS A 69 7.362 -3.974 9.201 1.00 0.00 C ATOM 982 O HIS A 69 7.694 -3.095 8.407 1.00 0.00 O ATOM 983 CB HIS A 69 5.028 -3.992 10.101 1.00 0.00 C ATOM 984 CG HIS A 69 4.503 -2.663 9.652 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.182 -2.291 9.788 1.00 0.00 N ATOM 986 CD2 HIS A 69 5.128 -1.616 9.066 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.018 -1.073 9.305 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.184 -0.640 8.861 1.00 0.00 N ATOM 0 H HIS A 69 5.454 -6.420 10.067 1.00 0.00 H new ATOM 0 HA HIS A 69 5.609 -4.492 8.094 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.189 -4.666 10.271 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.536 -3.868 11.057 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.175 -1.558 8.807 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.088 -0.524 9.278 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.355 0.271 8.435 1.00 0.00 H new ATOM 997 N GLU A 70 8.154 -4.402 10.180 1.00 0.00 N ATOM 998 CA GLU A 70 9.487 -3.848 10.380 1.00 0.00 C ATOM 999 C GLU A 70 10.418 -4.244 9.238 1.00 0.00 C ATOM 1000 O GLU A 70 11.281 -3.468 8.830 1.00 0.00 O ATOM 1001 CB GLU A 70 10.067 -4.325 11.714 1.00 0.00 C ATOM 1002 CG GLU A 70 9.414 -3.682 12.926 1.00 0.00 C ATOM 1003 CD GLU A 70 10.165 -3.967 14.212 1.00 0.00 C ATOM 1004 OE1 GLU A 70 11.205 -3.317 14.448 1.00 0.00 O ATOM 1005 OE2 GLU A 70 9.712 -4.839 14.983 1.00 0.00 O ATOM 0 H GLU A 70 7.895 -5.130 10.846 1.00 0.00 H new ATOM 0 HA GLU A 70 9.402 -2.761 10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.955 -5.407 11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.136 -4.113 11.732 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.357 -2.604 12.774 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.391 -4.046 13.019 1.00 0.00 H new ATOM 1012 N GLU A 71 10.237 -5.459 8.728 1.00 0.00 N ATOM 1013 CA GLU A 71 11.061 -5.958 7.634 1.00 0.00 C ATOM 1014 C GLU A 71 10.833 -5.143 6.365 1.00 0.00 C ATOM 1015 O GLU A 71 11.774 -4.835 5.633 1.00 0.00 O ATOM 1016 CB GLU A 71 10.755 -7.433 7.368 1.00 0.00 C ATOM 1017 CG GLU A 71 11.501 -8.386 8.287 1.00 0.00 C ATOM 1018 CD GLU A 71 12.954 -7.994 8.478 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.726 -8.089 7.501 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.318 -7.594 9.603 1.00 0.00 O ATOM 0 H GLU A 71 9.528 -6.115 9.055 1.00 0.00 H new ATOM 0 HA GLU A 71 12.106 -5.858 7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.683 -7.599 7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.008 -7.667 6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.005 -8.412 9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.451 -9.394 7.876 1.00 0.00 H new ATOM 1027 N VAL A 72 9.576 -4.796 6.109 1.00 0.00 N ATOM 1028 CA VAL A 72 9.222 -4.017 4.928 1.00 0.00 C ATOM 1029 C VAL A 72 9.576 -2.545 5.116 1.00 0.00 C ATOM 1030 O VAL A 72 10.409 -1.999 4.393 1.00 0.00 O ATOM 1031 CB VAL A 72 7.721 -4.136 4.606 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.379 -3.342 3.354 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.325 -5.596 4.447 1.00 0.00 C ATOM 0 H VAL A 72 8.785 -5.042 6.704 1.00 0.00 H new ATOM 0 HA VAL A 72 9.797 -4.423 4.096 1.00 0.00 H new ATOM 0 HB VAL A 72 7.154 -3.718 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.314 -3.438 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.625 -2.292 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.953 -3.727 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.261 -5.662 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.898 -6.042 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.532 -6.132 5.373 1.00 0.00 H new ATOM 1043 N VAL A 73 8.937 -1.909 6.092 1.00 0.00 N ATOM 1044 CA VAL A 73 9.184 -0.500 6.377 1.00 0.00 C ATOM 1045 C VAL A 73 10.651 -0.146 6.161 1.00 0.00 C ATOM 1046 O VAL A 73 10.970 0.855 5.519 1.00 0.00 O ATOM 1047 CB VAL A 73 8.788 -0.141 7.821 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.599 -0.958 8.816 1.00 0.00 C ATOM 1049 CG2 VAL A 73 8.970 1.349 8.069 1.00 0.00 C ATOM 0 H VAL A 73 8.244 -2.347 6.699 1.00 0.00 H new ATOM 0 HA VAL A 73 8.568 0.076 5.686 1.00 0.00 H new ATOM 0 HB VAL A 73 7.735 -0.383 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.305 -0.691 9.831 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.413 -2.019 8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.660 -0.750 8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.685 1.585 9.094 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.014 1.619 7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.341 1.912 7.379 1.00 0.00 H new ATOM 1059 N GLU A 74 11.540 -0.973 6.701 1.00 0.00 N ATOM 1060 CA GLU A 74 12.974 -0.746 6.567 1.00 0.00 C ATOM 1061 C GLU A 74 13.395 -0.776 5.100 1.00 0.00 C ATOM 1062 O GLU A 74 14.147 0.084 4.640 1.00 0.00 O ATOM 1063 CB GLU A 74 13.756 -1.800 7.354 1.00 0.00 C ATOM 1064 CG GLU A 74 14.037 -1.399 8.793 1.00 0.00 C ATOM 1065 CD GLU A 74 14.609 -2.538 9.614 1.00 0.00 C ATOM 1066 OE1 GLU A 74 13.904 -3.552 9.797 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.764 -2.415 10.074 1.00 0.00 O ATOM 0 H GLU A 74 11.293 -1.806 7.235 1.00 0.00 H new ATOM 0 HA GLU A 74 13.199 0.241 6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.196 -2.735 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.702 -1.992 6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.735 -0.562 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.114 -1.050 9.256 1.00 0.00 H new ATOM 1074 N LYS A 75 12.906 -1.773 4.371 1.00 0.00 N ATOM 1075 CA LYS A 75 13.229 -1.917 2.956 1.00 0.00 C ATOM 1076 C LYS A 75 12.887 -0.644 2.188 1.00 0.00 C ATOM 1077 O LYS A 75 13.656 -0.194 1.339 1.00 0.00 O ATOM 1078 CB LYS A 75 12.474 -3.105 2.357 1.00 0.00 C ATOM 1079 CG LYS A 75 13.158 -4.441 2.591 1.00 0.00 C ATOM 1080 CD LYS A 75 12.175 -5.596 2.498 1.00 0.00 C ATOM 1081 CE LYS A 75 12.890 -6.922 2.294 1.00 0.00 C ATOM 1082 NZ LYS A 75 13.656 -7.331 3.503 1.00 0.00 N ATOM 0 H LYS A 75 12.284 -2.494 4.737 1.00 0.00 H new ATOM 0 HA LYS A 75 14.301 -2.096 2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.471 -3.140 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.359 -2.948 1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.952 -4.578 1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.630 -4.442 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.577 -5.640 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.485 -5.423 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.161 -7.694 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.568 -6.842 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.129 -8.240 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.369 -6.607 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.006 -7.432 4.308 1.00 0.00 H new ATOM 1096 N VAL A 76 11.728 -0.069 2.491 1.00 0.00 N ATOM 1097 CA VAL A 76 11.285 1.154 1.831 1.00 0.00 C ATOM 1098 C VAL A 76 12.070 2.362 2.328 1.00 0.00 C ATOM 1099 O VAL A 76 12.646 3.110 1.537 1.00 0.00 O ATOM 1100 CB VAL A 76 9.782 1.402 2.060 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.346 2.694 1.385 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.964 0.224 1.554 1.00 0.00 C ATOM 0 H VAL A 76 11.078 -0.430 3.189 1.00 0.00 H new ATOM 0 HA VAL A 76 11.465 1.021 0.764 1.00 0.00 H new ATOM 0 HB VAL A 76 9.607 1.502 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.282 2.853 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.910 3.530 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.534 2.626 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.905 0.417 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.142 0.089 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.259 -0.680 2.088 1.00 0.00 H new ATOM 1112 N LYS A 77 12.091 2.548 3.643 1.00 0.00 N ATOM 1113 CA LYS A 77 12.807 3.664 4.248 1.00 0.00 C ATOM 1114 C LYS A 77 14.212 3.788 3.667 1.00 0.00 C ATOM 1115 O LYS A 77 14.653 4.880 3.306 1.00 0.00 O ATOM 1116 CB LYS A 77 12.885 3.485 5.766 1.00 0.00 C ATOM 1117 CG LYS A 77 11.569 3.745 6.477 1.00 0.00 C ATOM 1118 CD LYS A 77 11.685 3.498 7.972 1.00 0.00 C ATOM 1119 CE LYS A 77 12.317 4.683 8.685 1.00 0.00 C ATOM 1120 NZ LYS A 77 11.321 5.751 8.975 1.00 0.00 N ATOM 0 H LYS A 77 11.619 1.939 4.311 1.00 0.00 H new ATOM 0 HA LYS A 77 12.258 4.579 4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.213 2.470 5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.643 4.159 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.256 4.774 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.795 3.101 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.696 3.307 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.283 2.604 8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.770 4.346 9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.119 5.091 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.791 6.541 9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.906 6.090 8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.569 5.368 9.583 1.00 0.00 H new ATOM 1134 N LYS A 78 14.912 2.662 3.578 1.00 0.00 N ATOM 1135 CA LYS A 78 16.266 2.642 3.038 1.00 0.00 C ATOM 1136 C LYS A 78 16.258 2.915 1.537 1.00 0.00 C ATOM 1137 O LYS A 78 17.051 3.713 1.037 1.00 0.00 O ATOM 1138 CB LYS A 78 16.930 1.292 3.318 1.00 0.00 C ATOM 1139 CG LYS A 78 17.121 1.004 4.797 1.00 0.00 C ATOM 1140 CD LYS A 78 18.329 0.114 5.039 1.00 0.00 C ATOM 1141 CE LYS A 78 18.029 -1.338 4.702 1.00 0.00 C ATOM 1142 NZ LYS A 78 19.250 -2.188 4.773 1.00 0.00 N ATOM 0 H LYS A 78 14.563 1.750 3.873 1.00 0.00 H new ATOM 0 HA LYS A 78 16.837 3.430 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.324 0.500 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.900 1.264 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.244 1.942 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.227 0.522 5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 78 19.166 0.463 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.635 0.191 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.278 -1.723 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.603 -1.398 3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.003 -3.170 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.958 -1.836 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.643 -2.152 5.735 1.00 0.00 H new ATOM 1156 N SER A 79 15.355 2.250 0.824 1.00 0.00 N ATOM 1157 CA SER A 79 15.245 2.419 -0.620 1.00 0.00 C ATOM 1158 C SER A 79 15.552 3.858 -1.023 1.00 0.00 C ATOM 1159 O SER A 79 16.238 4.104 -2.014 1.00 0.00 O ATOM 1160 CB SER A 79 13.843 2.032 -1.095 1.00 0.00 C ATOM 1161 OG SER A 79 13.835 1.751 -2.484 1.00 0.00 O ATOM 0 H SER A 79 14.689 1.589 1.223 1.00 0.00 H new ATOM 0 HA SER A 79 15.975 1.763 -1.095 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.496 1.159 -0.542 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.146 2.842 -0.881 1.00 0.00 H new ATOM 0 HG SER A 79 13.424 2.498 -2.967 1.00 0.00 H new ATOM 1167 N GLY A 80 15.037 4.807 -0.245 1.00 0.00 N ATOM 1168 CA GLY A 80 15.266 6.210 -0.537 1.00 0.00 C ATOM 1169 C GLY A 80 13.981 7.012 -0.573 1.00 0.00 C ATOM 1170 O GLY A 80 13.186 6.966 0.366 1.00 0.00 O ATOM 0 H GLY A 80 14.466 4.629 0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.932 6.631 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.774 6.300 -1.497 1.00 0.00 H new ATOM 1174 N SER A 81 13.776 7.749 -1.660 1.00 0.00 N ATOM 1175 CA SER A 81 12.580 8.570 -1.812 1.00 0.00 C ATOM 1176 C SER A 81 11.556 7.876 -2.705 1.00 0.00 C ATOM 1177 O SER A 81 10.362 8.170 -2.643 1.00 0.00 O ATOM 1178 CB SER A 81 12.943 9.935 -2.399 1.00 0.00 C ATOM 1179 OG SER A 81 14.041 10.509 -1.711 1.00 0.00 O ATOM 0 H SER A 81 14.422 7.795 -2.448 1.00 0.00 H new ATOM 0 HA SER A 81 12.140 8.713 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.188 9.827 -3.456 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.083 10.601 -2.338 1.00 0.00 H new ATOM 0 HG SER A 81 14.255 11.380 -2.106 1.00 0.00 H new ATOM 1185 N ARG A 82 12.032 6.955 -3.536 1.00 0.00 N ATOM 1186 CA ARG A 82 11.160 6.220 -4.444 1.00 0.00 C ATOM 1187 C ARG A 82 11.275 4.716 -4.210 1.00 0.00 C ATOM 1188 O ARG A 82 12.332 4.216 -3.826 1.00 0.00 O ATOM 1189 CB ARG A 82 11.506 6.549 -5.897 1.00 0.00 C ATOM 1190 CG ARG A 82 11.599 8.040 -6.178 1.00 0.00 C ATOM 1191 CD ARG A 82 12.515 8.328 -7.357 1.00 0.00 C ATOM 1192 NE ARG A 82 12.467 9.732 -7.756 1.00 0.00 N ATOM 1193 CZ ARG A 82 12.775 10.160 -8.976 1.00 0.00 C ATOM 1194 NH1 ARG A 82 13.150 9.297 -9.910 1.00 0.00 N ATOM 1195 NH2 ARG A 82 12.706 11.453 -9.264 1.00 0.00 N ATOM 0 H ARG A 82 13.018 6.700 -3.599 1.00 0.00 H new ATOM 0 HA ARG A 82 10.132 6.524 -4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.457 6.080 -6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.751 6.111 -6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.604 8.435 -6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.970 8.556 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.539 8.060 -7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.228 7.701 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 82 12.182 10.422 -7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.203 8.302 -9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.386 9.628 -10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.416 12.120 -8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.943 11.780 -10.201 1.00 0.00 H new ATOM 1209 N VAL A 83 10.180 4.000 -4.445 1.00 0.00 N ATOM 1210 CA VAL A 83 10.158 2.554 -4.261 1.00 0.00 C ATOM 1211 C VAL A 83 9.233 1.885 -5.272 1.00 0.00 C ATOM 1212 O VAL A 83 8.507 2.558 -6.003 1.00 0.00 O ATOM 1213 CB VAL A 83 9.704 2.176 -2.838 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.842 2.366 -1.847 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.489 2.996 -2.431 1.00 0.00 C ATOM 0 H VAL A 83 9.296 4.398 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 83 11.177 2.200 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 83 9.421 1.123 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.503 2.094 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.681 1.731 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.158 3.409 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.182 2.716 -1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.742 4.056 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.671 2.804 -3.126 1.00 0.00 H new ATOM 1225 N MET A 84 9.265 0.557 -5.307 1.00 0.00 N ATOM 1226 CA MET A 84 8.428 -0.203 -6.228 1.00 0.00 C ATOM 1227 C MET A 84 7.544 -1.189 -5.471 1.00 0.00 C ATOM 1228 O MET A 84 8.027 -2.184 -4.931 1.00 0.00 O ATOM 1229 CB MET A 84 9.297 -0.953 -7.240 1.00 0.00 C ATOM 1230 CG MET A 84 8.525 -1.965 -8.071 1.00 0.00 C ATOM 1231 SD MET A 84 9.605 -3.113 -8.946 1.00 0.00 S ATOM 1232 CE MET A 84 10.518 -1.986 -9.996 1.00 0.00 C ATOM 0 H MET A 84 9.861 -0.015 -4.709 1.00 0.00 H new ATOM 0 HA MET A 84 7.786 0.499 -6.760 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.769 -0.231 -7.907 1.00 0.00 H new ATOM 0 HB3 MET A 84 10.098 -1.467 -6.709 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.854 -2.527 -7.421 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.902 -1.437 -8.793 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.112 -2.555 -10.711 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.820 -1.344 -10.533 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.178 -1.372 -9.383 1.00 0.00 H new ATOM 1242 N PHE A 85 6.246 -0.905 -5.434 1.00 0.00 N ATOM 1243 CA PHE A 85 5.294 -1.766 -4.742 1.00 0.00 C ATOM 1244 C PHE A 85 4.464 -2.570 -5.738 1.00 0.00 C ATOM 1245 O PHE A 85 3.887 -2.015 -6.674 1.00 0.00 O ATOM 1246 CB PHE A 85 4.373 -0.930 -3.851 1.00 0.00 C ATOM 1247 CG PHE A 85 5.092 -0.234 -2.731 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.844 -0.956 -1.818 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.015 1.142 -2.590 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.508 -0.318 -0.787 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.677 1.786 -1.561 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.423 1.054 -0.658 1.00 0.00 C ATOM 0 H PHE A 85 5.829 -0.085 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 85 5.857 -2.462 -4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.865 -0.185 -4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.602 -1.576 -3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.912 -2.030 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.431 1.719 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.093 -0.892 -0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.611 2.860 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.939 1.554 0.148 1.00 0.00 H new ATOM 1262 N LEU A 86 4.409 -3.881 -5.530 1.00 0.00 N ATOM 1263 CA LEU A 86 3.650 -4.764 -6.409 1.00 0.00 C ATOM 1264 C LEU A 86 2.444 -5.350 -5.683 1.00 0.00 C ATOM 1265 O LEU A 86 2.579 -6.265 -4.870 1.00 0.00 O ATOM 1266 CB LEU A 86 4.545 -5.891 -6.928 1.00 0.00 C ATOM 1267 CG LEU A 86 3.867 -6.926 -7.827 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.665 -6.366 -9.227 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.686 -8.208 -7.876 1.00 0.00 C ATOM 0 H LEU A 86 4.881 -4.356 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 86 3.291 -4.175 -7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.373 -5.446 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.976 -6.410 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 86 2.889 -7.159 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.181 -7.116 -9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.037 -5.477 -9.176 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.632 -6.103 -9.657 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.189 -8.933 -8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.678 -7.991 -8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.779 -8.619 -6.871 1.00 0.00 H new ATOM 1281 N LEU A 87 1.264 -4.819 -5.983 1.00 0.00 N ATOM 1282 CA LEU A 87 0.032 -5.291 -5.360 1.00 0.00 C ATOM 1283 C LEU A 87 -0.905 -5.900 -6.399 1.00 0.00 C ATOM 1284 O LEU A 87 -0.698 -5.745 -7.603 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.670 -4.140 -4.636 1.00 0.00 C ATOM 1286 CG LEU A 87 0.223 -3.241 -3.781 1.00 0.00 C ATOM 1287 CD1 LEU A 87 -0.299 -1.813 -3.783 1.00 0.00 C ATOM 1288 CD2 LEU A 87 0.313 -3.776 -2.359 1.00 0.00 C ATOM 0 H LEU A 87 1.134 -4.062 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 87 0.293 -6.063 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.169 -3.520 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.447 -4.559 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 87 1.224 -3.241 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.349 -1.188 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.311 -1.431 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.311 -1.795 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.953 -3.124 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.683 -3.807 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.734 -4.781 -2.374 1.00 0.00 H new ATOM 1300 N VAL A 88 -1.937 -6.590 -5.925 1.00 0.00 N ATOM 1301 CA VAL A 88 -2.907 -7.220 -6.813 1.00 0.00 C ATOM 1302 C VAL A 88 -4.319 -6.720 -6.527 1.00 0.00 C ATOM 1303 O VAL A 88 -4.643 -6.358 -5.395 1.00 0.00 O ATOM 1304 CB VAL A 88 -2.881 -8.754 -6.676 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -3.558 -9.408 -7.870 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.451 -9.250 -6.526 1.00 0.00 C ATOM 0 H VAL A 88 -2.123 -6.727 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.627 -6.949 -7.831 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.434 -9.031 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.530 -10.492 -7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.595 -9.076 -7.927 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.035 -9.126 -8.784 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.451 -10.336 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.872 -8.963 -7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.004 -8.807 -5.636 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.154 -6.702 -7.559 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.533 -6.247 -7.419 1.00 0.00 C ATOM 1318 C ASP A 89 -7.308 -7.148 -6.462 1.00 0.00 C ATOM 1319 O ASP A 89 -7.071 -8.354 -6.399 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.224 -6.218 -8.783 1.00 0.00 C ATOM 1321 CG ASP A 89 -8.289 -5.143 -8.870 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -8.045 -4.025 -8.370 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -9.367 -5.419 -9.437 1.00 0.00 O ATOM 0 H ASP A 89 -4.901 -6.997 -8.502 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.516 -5.238 -7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.479 -6.051 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.676 -7.190 -8.978 1.00 0.00 H new ATOM 1328 N LYS A 90 -8.233 -6.553 -5.717 1.00 0.00 N ATOM 1329 CA LYS A 90 -9.044 -7.300 -4.762 1.00 0.00 C ATOM 1330 C LYS A 90 -9.978 -8.268 -5.482 1.00 0.00 C ATOM 1331 O LYS A 90 -10.186 -9.394 -5.031 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.858 -6.340 -3.892 1.00 0.00 C ATOM 1333 CG LYS A 90 -11.026 -5.699 -4.622 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.836 -4.803 -3.701 1.00 0.00 C ATOM 1335 CE LYS A 90 -12.920 -5.586 -2.974 1.00 0.00 C ATOM 1336 NZ LYS A 90 -13.867 -4.688 -2.258 1.00 0.00 N ATOM 0 H LYS A 90 -8.440 -5.555 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.373 -7.876 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.236 -6.881 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.200 -5.556 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.654 -5.115 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.670 -6.476 -5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.174 -4.334 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.292 -4.000 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.470 -6.196 -3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.458 -6.269 -2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.590 -5.259 -1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.347 -4.124 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.327 -4.053 -2.941 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.537 -7.821 -6.602 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.449 -8.649 -7.383 1.00 0.00 C ATOM 1352 C GLU A 91 -10.842 -10.024 -7.648 1.00 0.00 C ATOM 1353 O GLU A 91 -11.550 -11.031 -7.687 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.786 -7.964 -8.709 1.00 0.00 C ATOM 1355 CG GLU A 91 -12.963 -7.007 -8.617 1.00 0.00 C ATOM 1356 CD GLU A 91 -13.182 -6.227 -9.899 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -13.269 -6.860 -10.972 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -13.266 -4.983 -9.828 1.00 0.00 O ATOM 0 H GLU A 91 -10.375 -6.891 -6.989 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.365 -8.780 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.910 -7.417 -9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.006 -8.726 -9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.866 -7.569 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.796 -6.310 -7.796 1.00 0.00 H new