USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 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 106 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.0165 X(o=-0.016,f=-0.32) USER MOD Single : A 11 ASN :FLIP amide:sc= 0.0684 F(o=-2.1!,f=0.068) USER MOD Single : A 18 TYR OH : rot 24:sc= -1.19! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= -1.27 (180deg=-1.74) USER MOD Single : A 25 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.5!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0.0062 USER MOD Single : A 32 GLN : amide:sc= -0.324 K(o=-0.32,f=-3.5!) USER MOD Single : A 67 SER OG : rot -63:sc= 0.0884 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00941 USER MOD Single : A 75 THR OG1 : rot 10:sc= 0.682 USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= 1.24 (180deg=1.04) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 79 TYR OH : rot 171:sc= 0.00456 USER MOD Single : A 81 ASN :FLIP amide:sc= -1.25 F(o=-3.1!,f=-1.2) USER MOD Single : A 82 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-1) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 143:sc= 0.577 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.18 K(o=-0.18,f=-0.89) USER MOD Single : A 94 THR OG1 : rot 120:sc= 0.41 USER MOD Single : A 96 TYR OH : rot 30:sc= -1.87! USER MOD Single : A 97 CYS SG : rot -43:sc= -0.89 USER MOD Single : A 103 CYS SG : rot 180:sc= -2.86! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 75:sc= 0.273 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -13.261 8.946 0.883 1.00 0.00 N ATOM 131 CA ASN A 11 -12.441 8.742 2.079 1.00 0.00 C ATOM 132 C ASN A 11 -13.305 8.728 3.335 1.00 0.00 C ATOM 133 O ASN A 11 -12.807 8.889 4.456 1.00 0.00 O ATOM 134 CB ASN A 11 -11.360 9.832 2.190 1.00 0.00 C ATOM 135 CG ASN A 11 -11.928 11.236 2.361 1.00 0.00 C ATOM 136 OD1 ASN A 11 -11.155 12.114 2.978 1.00 0.00 O flip ATOM 137 ND2 ASN A 11 -13.044 11.531 1.926 1.00 0.00 N flip ATOM 0 HA ASN A 11 -11.950 7.773 1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.712 9.605 3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.737 9.807 1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.611 10.825 1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.400 12.480 2.037 1.00 0.00 H new ATOM 144 N ALA A 12 -14.596 8.531 3.144 1.00 0.00 N ATOM 145 CA ALA A 12 -15.534 8.483 4.246 1.00 0.00 C ATOM 146 C ALA A 12 -16.224 7.131 4.289 1.00 0.00 C ATOM 147 O ALA A 12 -16.503 6.530 3.244 1.00 0.00 O ATOM 148 CB ALA A 12 -16.558 9.600 4.121 1.00 0.00 C ATOM 0 H ALA A 12 -15.021 8.401 2.226 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.985 8.623 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.255 9.549 4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.048 10.564 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.105 9.489 3.185 1.00 0.00 H new ATOM 154 N VAL A 13 -16.497 6.658 5.487 1.00 0.00 N ATOM 155 CA VAL A 13 -17.139 5.367 5.673 1.00 0.00 C ATOM 156 C VAL A 13 -18.340 5.506 6.590 1.00 0.00 C ATOM 157 O VAL A 13 -18.475 6.497 7.304 1.00 0.00 O ATOM 158 CB VAL A 13 -16.169 4.314 6.280 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.984 4.062 5.362 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.694 4.744 7.655 1.00 0.00 C ATOM 0 H VAL A 13 -16.284 7.150 6.355 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.451 5.023 4.687 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.720 3.379 6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.324 3.321 5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.341 3.692 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.436 4.992 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.017 3.991 8.058 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.172 5.698 7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.552 4.853 8.319 1.00 0.00 H new ATOM 170 N VAL A 14 -19.210 4.525 6.566 1.00 0.00 N ATOM 171 CA VAL A 14 -20.380 4.535 7.413 1.00 0.00 C ATOM 172 C VAL A 14 -20.180 3.573 8.573 1.00 0.00 C ATOM 173 O VAL A 14 -19.967 2.374 8.370 1.00 0.00 O ATOM 174 CB VAL A 14 -21.657 4.143 6.629 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.881 4.165 7.540 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.857 5.069 5.437 1.00 0.00 C ATOM 0 H VAL A 14 -19.129 3.705 5.965 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.513 5.550 7.788 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.530 3.126 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.766 3.886 6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.739 3.457 8.357 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -23.013 5.167 7.947 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.759 4.779 4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.958 6.096 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.997 4.996 4.771 1.00 0.00 H new ATOM 186 N VAL A 15 -20.229 4.105 9.779 1.00 0.00 N ATOM 187 CA VAL A 15 -20.051 3.304 10.976 1.00 0.00 C ATOM 188 C VAL A 15 -21.408 3.041 11.613 1.00 0.00 C ATOM 189 O VAL A 15 -22.171 3.983 11.866 1.00 0.00 O ATOM 190 CB VAL A 15 -19.131 4.022 11.998 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.771 3.100 13.153 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.871 4.546 11.319 1.00 0.00 C ATOM 0 H VAL A 15 -20.392 5.096 9.957 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.580 2.362 10.694 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.682 4.871 12.402 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.126 3.630 13.854 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.681 2.785 13.664 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.248 2.224 12.770 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.242 5.045 12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.323 3.714 10.878 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.147 5.254 10.537 1.00 0.00 H new ATOM 202 N PHE A 16 -21.712 1.775 11.871 1.00 0.00 N ATOM 203 CA PHE A 16 -23.004 1.392 12.445 1.00 0.00 C ATOM 204 C PHE A 16 -22.862 0.204 13.403 1.00 0.00 C ATOM 205 O PHE A 16 -21.838 -0.488 13.398 1.00 0.00 O ATOM 206 CB PHE A 16 -24.009 1.065 11.326 1.00 0.00 C ATOM 207 CG PHE A 16 -23.563 -0.036 10.392 1.00 0.00 C ATOM 208 CD1 PHE A 16 -22.832 0.260 9.250 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.875 -1.362 10.655 1.00 0.00 C ATOM 210 CE1 PHE A 16 -22.424 -0.743 8.392 1.00 0.00 C ATOM 211 CE2 PHE A 16 -23.469 -2.368 9.800 1.00 0.00 C ATOM 212 CZ PHE A 16 -22.741 -2.057 8.667 1.00 0.00 C ATOM 0 H PHE A 16 -21.083 0.992 11.693 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.379 2.238 13.021 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -24.959 0.779 11.779 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.193 1.968 10.743 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -22.579 1.287 9.029 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -24.443 -1.611 11.540 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.857 -0.498 7.506 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -23.720 -3.396 10.016 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.421 -2.842 7.998 1.00 0.00 H new ATOM 222 N GLY A 17 -23.898 -0.021 14.219 1.00 0.00 N ATOM 223 CA GLY A 17 -23.883 -1.129 15.176 1.00 0.00 C ATOM 224 C GLY A 17 -23.716 -0.662 16.615 1.00 0.00 C ATOM 225 O GLY A 17 -23.282 -1.419 17.475 1.00 0.00 O ATOM 0 H GLY A 17 -24.748 0.543 14.235 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -24.812 -1.693 15.087 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.071 -1.811 14.923 1.00 0.00 H new ATOM 229 N TYR A 18 -24.075 0.584 16.870 1.00 0.00 N ATOM 230 CA TYR A 18 -23.931 1.193 18.190 1.00 0.00 C ATOM 231 C TYR A 18 -25.051 2.191 18.435 1.00 0.00 C ATOM 232 O TYR A 18 -25.779 2.552 17.510 1.00 0.00 O ATOM 233 CB TYR A 18 -22.571 1.891 18.292 1.00 0.00 C ATOM 234 CG TYR A 18 -22.338 2.916 17.213 1.00 0.00 C ATOM 235 CD1 TYR A 18 -21.956 2.524 15.944 1.00 0.00 C ATOM 236 CD2 TYR A 18 -22.522 4.269 17.451 1.00 0.00 C ATOM 237 CE1 TYR A 18 -21.760 3.438 14.947 1.00 0.00 C ATOM 238 CE2 TYR A 18 -22.330 5.194 16.446 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.949 4.768 15.197 1.00 0.00 C ATOM 240 OH TYR A 18 -21.757 5.675 14.192 1.00 0.00 O ATOM 0 H TYR A 18 -24.476 1.207 16.169 1.00 0.00 H new ATOM 0 HA TYR A 18 -23.990 0.413 18.949 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.493 2.376 19.265 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -21.782 1.140 18.245 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -21.809 1.474 15.736 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -22.819 4.603 18.434 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -21.456 3.110 13.964 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -22.478 6.246 16.640 1.00 0.00 H new ATOM 0 HH TYR A 18 -21.868 5.231 13.325 1.00 0.00 H new ATOM 250 N ARG A 19 -25.195 2.619 19.676 1.00 0.00 N ATOM 251 CA ARG A 19 -26.207 3.598 20.037 1.00 0.00 C ATOM 252 C ARG A 19 -25.539 4.846 20.600 1.00 0.00 C ATOM 253 O ARG A 19 -24.399 4.785 21.066 1.00 0.00 O ATOM 254 CB ARG A 19 -27.204 3.010 21.050 1.00 0.00 C ATOM 255 CG ARG A 19 -26.594 2.627 22.395 1.00 0.00 C ATOM 256 CD ARG A 19 -27.651 2.060 23.334 1.00 0.00 C ATOM 257 NE ARG A 19 -27.106 1.705 24.650 1.00 0.00 N ATOM 258 CZ ARG A 19 -27.855 1.311 25.689 1.00 0.00 C ATOM 259 NH1 ARG A 19 -29.175 1.214 25.565 1.00 0.00 N ATOM 260 NH2 ARG A 19 -27.282 1.010 26.845 1.00 0.00 N ATOM 0 H ARG A 19 -24.620 2.302 20.457 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.766 3.870 19.141 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.999 3.736 21.220 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -27.668 2.126 20.612 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -25.805 1.891 22.244 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -26.130 3.502 22.850 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -28.449 2.792 23.461 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -28.098 1.176 22.880 1.00 0.00 H new ATOM 0 HE ARG A 19 -26.096 1.762 24.782 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -29.622 1.440 24.676 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -29.741 0.914 26.359 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -26.269 1.078 26.945 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.854 0.710 27.635 1.00 0.00 H new ATOM 274 N GLU A 20 -26.249 5.966 20.575 1.00 0.00 N ATOM 275 CA GLU A 20 -25.701 7.251 21.024 1.00 0.00 C ATOM 276 C GLU A 20 -25.693 7.344 22.565 1.00 0.00 C ATOM 277 O GLU A 20 -26.103 8.342 23.159 1.00 0.00 O ATOM 278 CB GLU A 20 -26.503 8.395 20.381 1.00 0.00 C ATOM 279 CG GLU A 20 -25.923 9.801 20.563 1.00 0.00 C ATOM 280 CD GLU A 20 -26.758 10.830 19.835 1.00 0.00 C ATOM 281 OE1 GLU A 20 -27.767 11.298 20.403 1.00 0.00 O ATOM 282 OE2 GLU A 20 -26.420 11.169 18.683 1.00 0.00 O ATOM 0 H GLU A 20 -27.213 6.016 20.247 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.662 7.335 20.704 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -26.593 8.195 19.313 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -27.512 8.383 20.793 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -25.881 10.046 21.624 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -24.900 9.827 20.189 1.00 0.00 H new ATOM 289 N ALA A 21 -25.226 6.280 23.193 1.00 0.00 N ATOM 290 CA ALA A 21 -25.102 6.218 24.638 1.00 0.00 C ATOM 291 C ALA A 21 -23.716 5.724 25.034 1.00 0.00 C ATOM 292 O ALA A 21 -23.349 5.745 26.206 1.00 0.00 O ATOM 293 CB ALA A 21 -26.172 5.308 25.221 1.00 0.00 C ATOM 0 H ALA A 21 -24.921 5.433 22.714 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.240 7.222 25.040 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.067 5.271 26.305 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.158 5.695 24.965 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.059 4.304 24.811 1.00 0.00 H new ATOM 299 N ILE A 22 -22.942 5.293 24.045 1.00 0.00 N ATOM 300 CA ILE A 22 -21.611 4.753 24.291 1.00 0.00 C ATOM 301 C ILE A 22 -20.523 5.729 23.851 1.00 0.00 C ATOM 302 O ILE A 22 -19.455 5.309 23.407 1.00 0.00 O ATOM 303 CB ILE A 22 -21.397 3.392 23.564 1.00 0.00 C ATOM 304 CG1 ILE A 22 -21.579 3.530 22.037 1.00 0.00 C ATOM 305 CG2 ILE A 22 -22.345 2.346 24.119 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.020 2.363 21.261 1.00 0.00 C ATOM 0 H ILE A 22 -23.215 5.307 23.062 1.00 0.00 H new ATOM 0 HA ILE A 22 -21.537 4.594 25.367 1.00 0.00 H new ATOM 0 HB ILE A 22 -20.371 3.073 23.746 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -22.641 3.631 21.812 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -21.093 4.446 21.702 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.185 1.400 23.602 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.158 2.214 25.185 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -23.374 2.672 23.969 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.181 2.524 20.195 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.951 2.274 21.457 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -21.523 1.447 21.570 1.00 0.00 H new ATOM 318 N THR A 23 -20.793 7.026 24.008 1.00 0.00 N ATOM 319 CA THR A 23 -19.874 8.079 23.570 1.00 0.00 C ATOM 320 C THR A 23 -18.444 7.852 24.093 1.00 0.00 C ATOM 321 O THR A 23 -17.578 7.434 23.345 1.00 0.00 O ATOM 322 CB THR A 23 -20.372 9.463 24.029 1.00 0.00 C ATOM 323 OG1 THR A 23 -21.752 9.633 23.659 1.00 0.00 O ATOM 324 CG2 THR A 23 -19.549 10.567 23.398 1.00 0.00 C ATOM 0 H THR A 23 -21.649 7.375 24.439 1.00 0.00 H new ATOM 0 HA THR A 23 -19.849 8.042 22.481 1.00 0.00 H new ATOM 0 HB THR A 23 -20.269 9.520 25.113 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.064 10.514 23.955 1.00 0.00 H new ATOM 0 HG21 THR A 23 -19.919 11.535 23.736 1.00 0.00 H new ATOM 0 HG22 THR A 23 -18.505 10.455 23.690 1.00 0.00 H new ATOM 0 HG23 THR A 23 -19.631 10.507 22.313 1.00 0.00 H new ATOM 332 N LYS A 24 -18.230 8.089 25.392 1.00 0.00 N ATOM 333 CA LYS A 24 -16.932 7.918 26.033 1.00 0.00 C ATOM 334 C LYS A 24 -16.317 6.549 25.731 1.00 0.00 C ATOM 335 O LYS A 24 -15.096 6.416 25.603 1.00 0.00 O ATOM 336 CB LYS A 24 -17.117 8.054 27.536 1.00 0.00 C ATOM 337 CG LYS A 24 -17.751 9.366 27.964 1.00 0.00 C ATOM 338 CD LYS A 24 -16.870 10.533 27.609 1.00 0.00 C ATOM 339 CE LYS A 24 -17.267 11.778 28.376 1.00 0.00 C ATOM 340 NZ LYS A 24 -18.433 12.445 27.759 1.00 0.00 N ATOM 0 H LYS A 24 -18.961 8.407 26.028 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.256 8.679 25.644 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -17.736 7.230 27.892 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.146 7.956 28.022 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.722 9.479 27.482 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -17.929 9.354 29.039 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.831 10.286 27.826 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.934 10.727 26.538 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.502 11.512 29.407 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.426 12.470 28.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.955 12.975 28.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.107 13.101 27.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.058 11.730 27.336 1.00 0.00 H new ATOM 354 N GLN A 25 -17.173 5.553 25.628 1.00 0.00 N ATOM 355 CA GLN A 25 -16.763 4.178 25.414 1.00 0.00 C ATOM 356 C GLN A 25 -16.113 3.953 24.039 1.00 0.00 C ATOM 357 O GLN A 25 -14.897 3.755 23.944 1.00 0.00 O ATOM 358 CB GLN A 25 -17.975 3.270 25.573 1.00 0.00 C ATOM 359 CG GLN A 25 -18.504 3.215 26.986 1.00 0.00 C ATOM 360 CD GLN A 25 -19.801 2.448 27.094 1.00 0.00 C ATOM 361 OE1 GLN A 25 -20.881 3.005 26.908 1.00 0.00 O ATOM 362 NE2 GLN A 25 -19.708 1.168 27.395 1.00 0.00 N ATOM 0 H GLN A 25 -18.184 5.675 25.691 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.003 3.940 26.158 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.768 3.616 24.910 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.709 2.262 25.253 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -17.758 2.751 27.631 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.656 4.230 27.353 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -18.792 0.744 27.542 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.552 0.602 27.481 1.00 0.00 H new ATOM 371 N ILE A 26 -16.922 3.996 22.986 1.00 0.00 N ATOM 372 CA ILE A 26 -16.458 3.707 21.642 1.00 0.00 C ATOM 373 C ILE A 26 -15.536 4.806 21.098 1.00 0.00 C ATOM 374 O ILE A 26 -14.606 4.533 20.329 1.00 0.00 O ATOM 375 CB ILE A 26 -17.651 3.476 20.684 1.00 0.00 C ATOM 376 CG1 ILE A 26 -17.177 2.802 19.417 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.363 4.787 20.357 1.00 0.00 C ATOM 378 CD1 ILE A 26 -18.302 2.290 18.552 1.00 0.00 C ATOM 0 H ILE A 26 -17.913 4.231 23.044 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.872 2.790 21.699 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.367 2.825 21.186 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.579 3.508 18.841 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.523 1.970 19.680 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -19.196 4.590 19.682 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.739 5.236 21.276 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.663 5.472 19.879 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.889 1.818 17.660 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.887 1.560 19.111 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.943 3.121 18.259 1.00 0.00 H new ATOM 390 N LEU A 27 -15.785 6.037 21.518 1.00 0.00 N ATOM 391 CA LEU A 27 -15.009 7.182 21.067 1.00 0.00 C ATOM 392 C LEU A 27 -13.547 7.027 21.453 1.00 0.00 C ATOM 393 O LEU A 27 -12.671 7.365 20.689 1.00 0.00 O ATOM 394 CB LEU A 27 -15.592 8.478 21.641 1.00 0.00 C ATOM 395 CG LEU A 27 -14.946 9.788 21.200 1.00 0.00 C ATOM 396 CD1 LEU A 27 -15.000 9.921 19.693 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.653 10.961 21.857 1.00 0.00 C ATOM 0 H LEU A 27 -16.527 6.270 22.178 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.065 7.232 19.980 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.649 8.518 21.379 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.535 8.422 22.728 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.901 9.786 21.510 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.535 10.860 19.394 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.465 9.089 19.235 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.039 9.909 19.364 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.186 11.893 21.537 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.703 10.963 21.565 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.578 10.871 22.941 1.00 0.00 H new ATOM 409 N ALA A 28 -13.298 6.469 22.631 1.00 0.00 N ATOM 410 CA ALA A 28 -11.934 6.299 23.139 1.00 0.00 C ATOM 411 C ALA A 28 -11.026 5.545 22.159 1.00 0.00 C ATOM 412 O ALA A 28 -9.806 5.726 22.173 1.00 0.00 O ATOM 413 CB ALA A 28 -11.962 5.588 24.484 1.00 0.00 C ATOM 0 H ALA A 28 -14.024 6.123 23.259 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.511 7.296 23.259 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.943 5.467 24.853 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.538 6.179 25.196 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.425 4.608 24.368 1.00 0.00 H new ATOM 419 N TYR A 29 -11.615 4.723 21.310 1.00 0.00 N ATOM 420 CA TYR A 29 -10.843 3.928 20.371 1.00 0.00 C ATOM 421 C TYR A 29 -10.628 4.642 19.022 1.00 0.00 C ATOM 422 O TYR A 29 -9.514 4.663 18.497 1.00 0.00 O ATOM 423 CB TYR A 29 -11.521 2.571 20.153 1.00 0.00 C ATOM 424 CG TYR A 29 -10.741 1.626 19.264 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.665 0.907 19.761 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.086 1.448 17.932 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.955 0.040 18.961 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.379 0.581 17.123 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.315 -0.120 17.643 1.00 0.00 C ATOM 430 OH TYR A 29 -8.611 -0.988 16.844 1.00 0.00 O ATOM 0 H TYR A 29 -12.624 4.588 21.251 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.856 3.780 20.810 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.678 2.096 21.121 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.506 2.735 19.715 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.378 1.029 20.795 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.921 1.996 17.521 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.120 -0.512 19.366 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.659 0.454 16.088 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.993 -0.985 15.942 1.00 0.00 H new ATOM 440 N PHE A 30 -11.689 5.219 18.463 1.00 0.00 N ATOM 441 CA PHE A 30 -11.609 5.822 17.120 1.00 0.00 C ATOM 442 C PHE A 30 -11.327 7.332 17.134 1.00 0.00 C ATOM 443 O PHE A 30 -11.014 7.903 16.097 1.00 0.00 O ATOM 444 CB PHE A 30 -12.904 5.572 16.347 1.00 0.00 C ATOM 445 CG PHE A 30 -13.239 4.123 16.135 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.740 3.431 15.043 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.065 3.455 17.025 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.059 2.101 14.844 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.389 2.129 16.831 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.885 1.449 15.740 1.00 0.00 C ATOM 0 H PHE A 30 -12.606 5.286 18.906 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.763 5.338 16.632 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.727 6.047 16.881 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.831 6.060 15.375 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.095 3.936 14.340 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.460 3.980 17.882 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.663 1.572 13.990 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -15.036 1.623 17.532 1.00 0.00 H new ATOM 0 HZ PHE A 30 -14.136 0.410 15.587 1.00 0.00 H new ATOM 460 N ALA A 31 -11.395 7.954 18.306 1.00 0.00 N ATOM 461 CA ALA A 31 -11.293 9.430 18.429 1.00 0.00 C ATOM 462 C ALA A 31 -10.032 10.006 17.807 1.00 0.00 C ATOM 463 O ALA A 31 -10.049 11.104 17.255 1.00 0.00 O ATOM 464 CB ALA A 31 -11.375 9.842 19.875 1.00 0.00 C ATOM 0 H ALA A 31 -11.521 7.470 19.195 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.136 9.837 17.871 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.299 10.927 19.949 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.327 9.516 20.293 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.558 9.382 20.431 1.00 0.00 H new ATOM 470 N GLN A 32 -8.949 9.271 17.887 1.00 0.00 N ATOM 471 CA GLN A 32 -7.682 9.737 17.349 1.00 0.00 C ATOM 472 C GLN A 32 -7.750 9.894 15.828 1.00 0.00 C ATOM 473 O GLN A 32 -6.940 10.609 15.230 1.00 0.00 O ATOM 474 CB GLN A 32 -6.537 8.787 17.739 1.00 0.00 C ATOM 475 CG GLN A 32 -6.217 8.765 19.238 1.00 0.00 C ATOM 476 CD GLN A 32 -7.300 8.100 20.071 1.00 0.00 C ATOM 477 OE1 GLN A 32 -7.980 7.186 19.612 1.00 0.00 O ATOM 478 NE2 GLN A 32 -7.472 8.561 21.294 1.00 0.00 N ATOM 0 H GLN A 32 -8.914 8.347 18.318 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.481 10.717 17.783 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.794 7.777 17.420 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.639 9.075 17.192 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.274 8.241 19.394 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.075 9.788 19.588 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.887 9.322 21.639 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.190 8.157 21.895 1.00 0.00 H new ATOM 487 N PHE A 33 -8.709 9.220 15.205 1.00 0.00 N ATOM 488 CA PHE A 33 -8.845 9.268 13.762 1.00 0.00 C ATOM 489 C PHE A 33 -10.218 9.813 13.334 1.00 0.00 C ATOM 490 O PHE A 33 -10.462 10.028 12.144 1.00 0.00 O ATOM 491 CB PHE A 33 -8.618 7.879 13.171 1.00 0.00 C ATOM 492 CG PHE A 33 -7.344 7.233 13.639 1.00 0.00 C ATOM 493 CD1 PHE A 33 -6.126 7.593 13.089 1.00 0.00 C ATOM 494 CD2 PHE A 33 -7.366 6.273 14.640 1.00 0.00 C ATOM 495 CE1 PHE A 33 -4.955 7.006 13.526 1.00 0.00 C ATOM 496 CE2 PHE A 33 -6.198 5.685 15.080 1.00 0.00 C ATOM 497 CZ PHE A 33 -4.991 6.052 14.521 1.00 0.00 C ATOM 0 H PHE A 33 -9.400 8.637 15.678 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.089 9.953 13.379 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.460 7.238 13.434 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.601 7.953 12.084 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.091 8.340 12.310 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.308 5.982 15.080 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.011 7.294 13.088 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.228 4.939 15.860 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.075 5.592 14.862 1.00 0.00 H new ATOM 507 N GLY A 34 -11.105 10.040 14.295 1.00 0.00 N ATOM 508 CA GLY A 34 -12.426 10.544 13.974 1.00 0.00 C ATOM 509 C GLY A 34 -13.355 10.549 15.173 1.00 0.00 C ATOM 510 O GLY A 34 -13.153 9.801 16.120 1.00 0.00 O ATOM 0 H GLY A 34 -10.934 9.884 15.288 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.339 11.557 13.582 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.862 9.933 13.184 1.00 0.00 H new ATOM 514 N GLU A 35 -14.394 11.373 15.121 1.00 0.00 N ATOM 515 CA GLU A 35 -15.318 11.495 16.244 1.00 0.00 C ATOM 516 C GLU A 35 -16.590 10.698 15.994 1.00 0.00 C ATOM 517 O GLU A 35 -17.083 10.631 14.862 1.00 0.00 O ATOM 518 CB GLU A 35 -15.669 12.959 16.504 1.00 0.00 C ATOM 519 CG GLU A 35 -14.470 13.893 16.507 1.00 0.00 C ATOM 520 CD GLU A 35 -13.309 13.366 17.325 1.00 0.00 C ATOM 521 OE1 GLU A 35 -13.520 12.964 18.483 1.00 0.00 O ATOM 522 OE2 GLU A 35 -12.184 13.345 16.795 1.00 0.00 O ATOM 0 H GLU A 35 -14.618 11.963 14.320 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.819 11.090 17.125 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.374 13.293 15.743 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.177 13.035 17.465 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.140 14.054 15.481 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.773 14.863 16.901 1.00 0.00 H new ATOM 529 N ILE A 36 -17.119 10.095 17.053 1.00 0.00 N ATOM 530 CA ILE A 36 -18.325 9.288 16.962 1.00 0.00 C ATOM 531 C ILE A 36 -19.306 9.681 18.076 1.00 0.00 C ATOM 532 O ILE A 36 -18.902 9.832 19.232 1.00 0.00 O ATOM 533 CB ILE A 36 -18.008 7.770 17.095 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.958 7.362 16.070 1.00 0.00 C ATOM 535 CG2 ILE A 36 -19.273 6.953 16.873 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.471 5.944 16.231 1.00 0.00 C ATOM 0 H ILE A 36 -16.725 10.153 17.992 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.767 9.472 15.983 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.625 7.581 18.098 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.374 7.482 15.070 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.107 8.039 16.145 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.042 5.892 16.968 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -20.020 7.230 17.617 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -19.664 7.151 15.875 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.726 5.726 15.466 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.024 5.823 17.218 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.310 5.257 16.126 1.00 0.00 H new ATOM 548 N LEU A 37 -20.582 9.855 17.706 1.00 0.00 N ATOM 549 CA LEU A 37 -21.667 10.191 18.655 1.00 0.00 C ATOM 550 C LEU A 37 -21.595 11.628 19.148 1.00 0.00 C ATOM 551 O LEU A 37 -20.743 12.406 18.725 1.00 0.00 O ATOM 552 CB LEU A 37 -21.683 9.241 19.857 1.00 0.00 C ATOM 553 CG LEU A 37 -21.903 7.772 19.541 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.991 6.976 20.808 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.143 7.582 18.700 1.00 0.00 C ATOM 0 H LEU A 37 -20.898 9.768 16.740 1.00 0.00 H new ATOM 0 HA LEU A 37 -22.593 10.073 18.093 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.735 9.340 20.386 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.466 9.566 20.542 1.00 0.00 H new ATOM 0 HG LEU A 37 -21.051 7.412 18.965 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.149 5.925 20.567 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -21.064 7.084 21.371 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -22.825 7.340 21.409 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -23.279 6.522 18.487 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -24.011 7.958 19.242 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -23.035 8.129 17.764 1.00 0.00 H new ATOM 567 N GLU A 38 -22.518 11.971 20.040 1.00 0.00 N ATOM 568 CA GLU A 38 -22.564 13.292 20.634 1.00 0.00 C ATOM 569 C GLU A 38 -21.572 13.381 21.771 1.00 0.00 C ATOM 570 O GLU A 38 -21.873 12.983 22.903 1.00 0.00 O ATOM 571 CB GLU A 38 -23.961 13.589 21.176 1.00 0.00 C ATOM 572 CG GLU A 38 -25.045 13.653 20.125 1.00 0.00 C ATOM 573 CD GLU A 38 -24.872 14.792 19.155 1.00 0.00 C ATOM 574 OE1 GLU A 38 -24.788 15.958 19.602 1.00 0.00 O ATOM 575 OE2 GLU A 38 -24.862 14.537 17.937 1.00 0.00 O ATOM 0 H GLU A 38 -23.250 11.341 20.367 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.313 14.020 19.863 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.224 12.822 21.904 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -23.935 14.539 21.710 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -25.060 12.714 19.572 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -26.013 13.749 20.617 1.00 0.00 H new ATOM 582 N ASP A 39 -20.389 13.847 21.470 1.00 0.00 N ATOM 583 CA ASP A 39 -19.368 14.028 22.493 1.00 0.00 C ATOM 584 C ASP A 39 -19.489 15.414 23.113 1.00 0.00 C ATOM 585 O ASP A 39 -20.273 16.250 22.643 1.00 0.00 O ATOM 586 CB ASP A 39 -17.957 13.798 21.929 1.00 0.00 C ATOM 587 CG ASP A 39 -17.287 15.056 21.416 1.00 0.00 C ATOM 588 OD1 ASP A 39 -17.656 15.530 20.333 1.00 0.00 O ATOM 589 OD2 ASP A 39 -16.356 15.561 22.110 1.00 0.00 O ATOM 0 H ASP A 39 -20.099 14.111 20.528 1.00 0.00 H new ATOM 0 HA ASP A 39 -19.530 13.281 23.270 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.333 13.357 22.707 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.015 13.072 21.118 1.00 0.00 H new ATOM 594 N LEU A 40 -18.743 15.656 24.174 1.00 0.00 N ATOM 595 CA LEU A 40 -18.813 16.930 24.856 1.00 0.00 C ATOM 596 C LEU A 40 -17.432 17.468 25.205 1.00 0.00 C ATOM 597 O LEU A 40 -17.262 18.145 26.232 1.00 0.00 O ATOM 598 CB LEU A 40 -19.666 16.812 26.102 1.00 0.00 C ATOM 599 CG LEU A 40 -19.414 15.571 26.941 1.00 0.00 C ATOM 600 CD1 LEU A 40 -19.082 15.947 28.364 1.00 0.00 C ATOM 601 CD2 LEU A 40 -20.610 14.633 26.881 1.00 0.00 C ATOM 0 H LEU A 40 -18.085 14.990 24.579 1.00 0.00 H new ATOM 0 HA LEU A 40 -19.275 17.643 24.173 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.498 17.692 26.723 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.715 16.826 25.808 1.00 0.00 H new ATOM 0 HG LEU A 40 -18.554 15.043 26.528 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -18.905 15.043 28.947 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.186 16.568 28.377 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -19.914 16.502 28.797 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -20.411 13.750 27.488 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -21.493 15.145 27.264 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -20.784 14.331 25.848 1.00 0.00 H new ATOM 1035 N SER A 67 -19.525 17.952 13.826 1.00 0.00 N ATOM 1036 CA SER A 67 -19.654 18.529 12.499 1.00 0.00 C ATOM 1037 C SER A 67 -19.501 17.436 11.452 1.00 0.00 C ATOM 1038 O SER A 67 -18.641 17.499 10.570 1.00 0.00 O ATOM 1039 CB SER A 67 -18.602 19.613 12.291 1.00 0.00 C ATOM 1040 OG SER A 67 -18.809 20.321 11.070 1.00 0.00 O ATOM 0 HA SER A 67 -20.640 18.983 12.399 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.630 20.312 13.127 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.610 19.161 12.286 1.00 0.00 H new ATOM 0 HG SER A 67 -18.704 19.707 10.314 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.319 16.434 11.578 1.00 0.00 N ATOM 1047 CA ARG A 68 -20.295 15.306 10.690 1.00 0.00 C ATOM 1048 C ARG A 68 -21.718 14.829 10.441 1.00 0.00 C ATOM 1049 O ARG A 68 -22.590 15.006 11.294 1.00 0.00 O ATOM 1050 CB ARG A 68 -19.460 14.189 11.310 1.00 0.00 C ATOM 1051 CG ARG A 68 -18.966 13.161 10.322 1.00 0.00 C ATOM 1052 CD ARG A 68 -17.925 13.757 9.390 1.00 0.00 C ATOM 1053 NE ARG A 68 -16.751 14.249 10.125 1.00 0.00 N ATOM 1054 CZ ARG A 68 -15.875 15.136 9.637 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -16.039 15.638 8.418 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -14.837 15.530 10.372 1.00 0.00 N ATOM 0 H ARG A 68 -21.030 16.374 12.307 1.00 0.00 H new ATOM 0 HA ARG A 68 -19.847 15.593 9.738 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.602 14.631 11.816 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.056 13.686 12.072 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -18.537 12.314 10.857 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.804 12.779 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -17.612 13.004 8.667 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.370 14.576 8.825 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.594 13.892 11.067 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.835 15.348 7.850 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.369 16.314 8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.706 15.156 11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.173 16.206 9.995 1.00 0.00 H new ATOM 1070 N GLU A 69 -21.955 14.251 9.281 1.00 0.00 N ATOM 1071 CA GLU A 69 -23.276 13.757 8.935 1.00 0.00 C ATOM 1072 C GLU A 69 -23.576 12.462 9.685 1.00 0.00 C ATOM 1073 O GLU A 69 -22.834 11.476 9.581 1.00 0.00 O ATOM 1074 CB GLU A 69 -23.377 13.551 7.426 1.00 0.00 C ATOM 1075 CG GLU A 69 -24.725 13.045 6.953 1.00 0.00 C ATOM 1076 CD GLU A 69 -24.835 13.020 5.449 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -24.272 12.102 4.817 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -25.485 13.931 4.887 1.00 0.00 O ATOM 0 H GLU A 69 -21.249 14.111 8.559 1.00 0.00 H new ATOM 0 HA GLU A 69 -24.020 14.496 9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -23.162 14.496 6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -22.608 12.844 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -24.890 12.041 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -25.512 13.679 7.362 1.00 0.00 H new ATOM 1085 N HIS A 70 -24.668 12.461 10.434 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.035 11.311 11.237 1.00 0.00 C ATOM 1087 C HIS A 70 -26.534 11.065 11.185 1.00 0.00 C ATOM 1088 O HIS A 70 -27.317 11.983 10.925 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.584 11.511 12.701 1.00 0.00 C ATOM 1090 CG HIS A 70 -25.386 12.527 13.469 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -25.222 13.889 13.324 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -26.370 12.369 14.383 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -26.069 14.518 14.115 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -26.777 13.618 14.766 1.00 0.00 N ATOM 0 H HIS A 70 -25.315 13.247 10.501 1.00 0.00 H new ATOM 0 HA HIS A 70 -24.529 10.438 10.824 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.642 10.554 13.220 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.537 11.814 12.707 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.762 11.430 14.744 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -26.166 15.589 14.213 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -27.510 13.820 15.446 1.00 0.00 H new ATOM 1102 N GLY A 71 -26.921 9.829 11.436 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.317 9.476 11.468 1.00 0.00 C ATOM 1104 C GLY A 71 -28.756 9.137 12.873 1.00 0.00 C ATOM 1105 O GLY A 71 -28.743 9.995 13.756 1.00 0.00 O ATOM 0 H GLY A 71 -26.283 9.055 11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -28.914 10.304 11.086 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.496 8.624 10.812 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.131 7.887 13.087 1.00 0.00 N ATOM 1110 CA ARG A 72 -29.546 7.434 14.408 1.00 0.00 C ATOM 1111 C ARG A 72 -28.477 6.583 15.049 1.00 0.00 C ATOM 1112 O ARG A 72 -27.795 7.016 15.975 1.00 0.00 O ATOM 1113 CB ARG A 72 -30.865 6.665 14.336 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.047 7.505 13.890 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.311 6.670 13.809 1.00 0.00 C ATOM 1116 NE ARG A 72 -33.230 5.649 12.760 1.00 0.00 N ATOM 1117 CZ ARG A 72 -34.055 4.601 12.661 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -35.027 4.425 13.547 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -33.909 3.731 11.672 1.00 0.00 N ATOM 0 H ARG A 72 -29.157 7.167 12.365 1.00 0.00 H new ATOM 0 HA ARG A 72 -29.698 8.318 15.027 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -30.748 5.827 13.648 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.082 6.244 15.318 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -32.196 8.329 14.588 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -31.836 7.947 12.916 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.489 6.188 14.770 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -34.164 7.321 13.616 1.00 0.00 H new ATOM 0 HE ARG A 72 -32.495 5.744 12.059 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -35.149 5.091 14.310 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -35.653 3.623 13.465 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -33.166 3.860 10.985 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -34.539 2.932 11.598 1.00 0.00 H new ATOM 1133 N THR A 73 -28.322 5.390 14.545 1.00 0.00 N ATOM 1134 CA THR A 73 -27.371 4.456 15.080 1.00 0.00 C ATOM 1135 C THR A 73 -26.147 4.335 14.173 1.00 0.00 C ATOM 1136 O THR A 73 -25.312 3.439 14.340 1.00 0.00 O ATOM 1137 CB THR A 73 -28.026 3.087 15.251 1.00 0.00 C ATOM 1138 OG1 THR A 73 -28.733 2.731 14.048 1.00 0.00 O ATOM 1139 CG2 THR A 73 -28.995 3.092 16.426 1.00 0.00 C ATOM 0 H THR A 73 -28.853 5.037 13.749 1.00 0.00 H new ATOM 0 HA THR A 73 -27.041 4.826 16.051 1.00 0.00 H new ATOM 0 HB THR A 73 -27.243 2.355 15.448 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.150 1.851 14.162 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.449 2.106 16.528 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.456 3.339 17.341 1.00 0.00 H new ATOM 0 HG23 THR A 73 -29.774 3.834 16.252 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.053 5.245 13.218 1.00 0.00 N ATOM 1148 CA TRP A 74 -24.973 5.237 12.254 1.00 0.00 C ATOM 1149 C TRP A 74 -24.535 6.659 11.925 1.00 0.00 C ATOM 1150 O TRP A 74 -25.329 7.604 12.029 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.431 4.527 10.970 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.681 5.117 10.367 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -27.972 4.773 10.654 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.755 6.156 9.379 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.840 5.534 9.912 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.119 6.389 9.120 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.801 6.913 8.689 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.552 7.344 8.205 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -26.232 7.861 7.781 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.597 8.069 7.547 1.00 0.00 C ATOM 0 H TRP A 74 -26.721 6.005 13.092 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.126 4.703 12.685 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.628 4.570 10.235 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.606 3.474 11.190 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.266 4.013 11.362 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.858 5.473 9.945 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.746 6.759 8.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.604 7.507 8.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -25.505 8.451 7.243 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -27.902 8.818 6.831 1.00 0.00 H new ATOM 1171 N THR A 75 -23.283 6.815 11.544 1.00 0.00 N ATOM 1172 CA THR A 75 -22.779 8.103 11.123 1.00 0.00 C ATOM 1173 C THR A 75 -21.786 7.928 9.985 1.00 0.00 C ATOM 1174 O THR A 75 -21.076 6.913 9.915 1.00 0.00 O ATOM 1175 CB THR A 75 -22.115 8.911 12.301 1.00 0.00 C ATOM 1176 OG1 THR A 75 -21.873 10.269 11.902 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.787 8.297 12.745 1.00 0.00 C ATOM 0 H THR A 75 -22.595 6.062 11.518 1.00 0.00 H new ATOM 0 HA THR A 75 -23.635 8.684 10.780 1.00 0.00 H new ATOM 0 HB THR A 75 -22.814 8.876 13.136 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.320 10.444 11.048 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.367 8.888 13.559 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.955 7.276 13.087 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.091 8.289 11.906 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.762 8.885 9.079 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.790 8.890 8.021 1.00 0.00 C ATOM 1187 C LYS A 76 -19.552 9.554 8.571 1.00 0.00 C ATOM 1188 O LYS A 76 -19.505 10.772 8.696 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.325 9.672 6.817 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.396 9.695 5.608 1.00 0.00 C ATOM 1191 CD LYS A 76 -21.012 10.488 4.463 1.00 0.00 C ATOM 1192 CE LYS A 76 -21.058 11.978 4.775 1.00 0.00 C ATOM 1193 NZ LYS A 76 -21.842 12.737 3.770 1.00 0.00 N ATOM 0 H LYS A 76 -22.412 9.671 9.061 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.571 7.877 7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.280 9.241 6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.522 10.698 7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.440 10.136 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -20.193 8.675 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -20.434 10.324 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -22.021 10.125 4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.495 12.127 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.042 12.371 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.616 13.749 3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.603 12.400 2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.858 12.595 3.943 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.565 8.767 8.900 1.00 0.00 N ATOM 1208 CA LEU A 77 -17.405 9.290 9.561 1.00 0.00 C ATOM 1209 C LEU A 77 -16.320 9.592 8.549 1.00 0.00 C ATOM 1210 O LEU A 77 -15.873 8.713 7.800 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.908 8.290 10.625 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.033 8.863 11.762 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -15.738 7.790 12.789 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -14.735 9.450 11.237 1.00 0.00 C ATOM 0 H LEU A 77 -18.542 7.763 8.721 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.668 10.221 10.064 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -17.778 7.811 11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -16.340 7.509 10.119 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.596 9.670 12.232 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.121 8.208 13.584 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.674 7.423 13.211 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.207 6.966 12.312 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.150 9.842 12.069 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.165 8.674 10.726 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.957 10.257 10.538 1.00 0.00 H new ATOM 1226 N THR A 78 -15.912 10.833 8.523 1.00 0.00 N ATOM 1227 CA THR A 78 -14.872 11.269 7.653 1.00 0.00 C ATOM 1228 C THR A 78 -13.542 11.261 8.397 1.00 0.00 C ATOM 1229 O THR A 78 -13.225 12.192 9.143 1.00 0.00 O ATOM 1230 CB THR A 78 -15.167 12.688 7.137 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.467 12.712 6.524 1.00 0.00 O ATOM 1232 CG2 THR A 78 -14.119 13.135 6.124 1.00 0.00 C ATOM 0 H THR A 78 -16.300 11.569 9.113 1.00 0.00 H new ATOM 0 HA THR A 78 -14.817 10.589 6.803 1.00 0.00 H new ATOM 0 HB THR A 78 -15.139 13.374 7.983 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.657 13.616 6.196 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.354 14.141 5.777 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.135 13.133 6.593 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.117 12.450 5.276 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.791 10.186 8.223 1.00 0.00 N ATOM 1241 CA TYR A 79 -11.475 10.054 8.834 1.00 0.00 C ATOM 1242 C TYR A 79 -10.486 10.967 8.140 1.00 0.00 C ATOM 1243 O TYR A 79 -9.497 11.371 8.727 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.976 8.602 8.758 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.753 7.615 9.607 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -12.913 7.018 9.135 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.313 7.272 10.877 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -13.609 6.107 9.910 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.004 6.365 11.655 1.00 0.00 C ATOM 1250 CZ TYR A 79 -13.151 5.786 11.166 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.843 4.880 11.937 1.00 0.00 O ATOM 0 H TYR A 79 -13.072 9.384 7.659 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.559 10.338 9.883 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.014 8.274 7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.930 8.576 9.063 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.278 7.268 8.150 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.412 7.724 11.265 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.510 5.649 9.529 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.646 6.112 12.642 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.312 4.651 12.728 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.764 11.260 6.864 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.910 12.112 6.025 1.00 0.00 C ATOM 1263 C ALA A 80 -8.630 11.385 5.620 1.00 0.00 C ATOM 1264 O ALA A 80 -8.318 11.287 4.432 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.598 13.451 6.702 1.00 0.00 C ATOM 0 H ALA A 80 -11.592 10.911 6.381 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.470 12.334 5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.964 14.050 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.528 13.986 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.080 13.271 7.644 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.907 10.865 6.604 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.681 10.127 6.343 1.00 0.00 C ATOM 1273 C ASN A 81 -6.973 8.752 5.756 1.00 0.00 C ATOM 1274 O ASN A 81 -7.900 8.058 6.188 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.794 10.005 7.608 1.00 0.00 C ATOM 1276 CG ASN A 81 -6.523 9.526 8.878 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -7.579 8.751 8.730 1.00 0.00 O flip ATOM 1278 ND2 ASN A 81 -6.120 9.861 9.988 1.00 0.00 N flip ATOM 0 H ASN A 81 -8.150 10.942 7.592 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.121 10.701 5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.978 9.314 7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.344 10.977 7.812 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.300 10.462 10.073 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.605 9.539 10.825 1.00 0.00 H new ATOM 1285 N HIS A 82 -6.184 8.366 4.784 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.351 7.082 4.124 1.00 0.00 C ATOM 1287 C HIS A 82 -5.718 5.968 4.958 1.00 0.00 C ATOM 1288 O HIS A 82 -6.080 4.801 4.833 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.731 7.131 2.722 1.00 0.00 C ATOM 1290 CG HIS A 82 -6.023 5.930 1.873 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -7.242 5.712 1.264 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -5.244 4.883 1.523 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -7.197 4.584 0.579 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -5.997 4.065 0.720 1.00 0.00 N ATOM 0 H HIS A 82 -5.410 8.925 4.425 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.416 6.869 4.026 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.094 8.021 2.208 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.651 7.238 2.819 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.219 4.720 1.820 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.006 4.161 0.002 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.677 3.193 0.299 1.00 0.00 H new ATOM 1302 N SER A 83 -4.783 6.344 5.816 1.00 0.00 N ATOM 1303 CA SER A 83 -4.086 5.394 6.671 1.00 0.00 C ATOM 1304 C SER A 83 -5.048 4.667 7.617 1.00 0.00 C ATOM 1305 O SER A 83 -5.000 3.445 7.750 1.00 0.00 O ATOM 1306 CB SER A 83 -3.005 6.124 7.468 1.00 0.00 C ATOM 1307 OG SER A 83 -3.549 7.242 8.160 1.00 0.00 O ATOM 0 H SER A 83 -4.486 7.312 5.940 1.00 0.00 H new ATOM 0 HA SER A 83 -3.626 4.638 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.548 5.438 8.181 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.215 6.458 6.795 1.00 0.00 H new ATOM 0 HG SER A 83 -2.839 7.692 8.664 1.00 0.00 H new ATOM 1313 N SER A 84 -5.937 5.418 8.248 1.00 0.00 N ATOM 1314 CA SER A 84 -6.897 4.832 9.166 1.00 0.00 C ATOM 1315 C SER A 84 -8.137 4.358 8.423 1.00 0.00 C ATOM 1316 O SER A 84 -8.969 3.641 8.982 1.00 0.00 O ATOM 1317 CB SER A 84 -7.279 5.828 10.258 1.00 0.00 C ATOM 1318 OG SER A 84 -8.168 5.246 11.194 1.00 0.00 O ATOM 0 H SER A 84 -6.013 6.430 8.141 1.00 0.00 H new ATOM 0 HA SER A 84 -6.428 3.968 9.637 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.381 6.172 10.771 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.744 6.705 9.808 1.00 0.00 H new ATOM 0 HG SER A 84 -7.957 5.573 12.093 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.250 4.764 7.167 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.385 4.383 6.329 1.00 0.00 C ATOM 1326 C TYR A 85 -9.443 2.858 6.189 1.00 0.00 C ATOM 1327 O TYR A 85 -10.493 2.251 6.359 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.251 5.055 4.952 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.353 4.741 3.959 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.551 5.441 3.980 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.185 3.761 2.987 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.548 5.176 3.062 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -11.179 3.487 2.068 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.357 4.199 2.109 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.347 3.936 1.187 1.00 0.00 O ATOM 0 H TYR A 85 -7.567 5.361 6.701 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.313 4.717 6.793 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.214 6.135 5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.297 4.759 4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.706 6.206 4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.260 3.204 2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.473 5.732 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.033 2.720 1.322 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.052 3.220 0.586 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.296 2.257 5.894 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.189 0.801 5.749 1.00 0.00 C ATOM 1347 C LEU A 86 -8.461 0.083 7.065 1.00 0.00 C ATOM 1348 O LEU A 86 -9.112 -0.960 7.093 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.805 0.401 5.222 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.582 0.547 3.713 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -7.575 -0.298 2.928 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -6.663 1.998 3.290 1.00 0.00 C ATOM 0 H LEU A 86 -7.418 2.756 5.749 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.948 0.497 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.056 1.002 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.623 -0.638 5.495 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.579 0.184 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.393 -0.175 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.454 -1.347 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.590 0.022 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.501 2.073 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.648 2.395 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.899 2.573 3.813 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.953 0.645 8.150 1.00 0.00 N ATOM 1365 CA ARG A 87 -8.095 0.039 9.477 1.00 0.00 C ATOM 1366 C ARG A 87 -9.558 0.001 9.925 1.00 0.00 C ATOM 1367 O ARG A 87 -9.938 -0.811 10.762 1.00 0.00 O ATOM 1368 CB ARG A 87 -7.243 0.799 10.499 1.00 0.00 C ATOM 1369 CG ARG A 87 -7.241 0.178 11.891 1.00 0.00 C ATOM 1370 CD ARG A 87 -6.347 0.947 12.844 1.00 0.00 C ATOM 1371 NE ARG A 87 -6.338 0.356 14.186 1.00 0.00 N ATOM 1372 CZ ARG A 87 -5.800 0.938 15.263 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -5.193 2.115 15.153 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -5.857 0.333 16.447 1.00 0.00 N ATOM 0 H ARG A 87 -7.435 1.524 8.144 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.742 -0.990 9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.217 0.851 10.134 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.608 1.824 10.570 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.258 0.157 12.282 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.902 -0.856 11.828 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.331 0.968 12.450 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.687 1.981 12.905 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.771 -0.560 14.306 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.137 2.577 14.245 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.784 2.557 15.976 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.312 -0.576 16.534 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.446 0.778 17.268 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.369 0.873 9.349 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.795 0.939 9.670 1.00 0.00 C ATOM 1390 C ALA A 88 -12.526 -0.346 9.258 1.00 0.00 C ATOM 1391 O ALA A 88 -13.582 -0.664 9.789 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.433 2.149 9.006 1.00 0.00 C ATOM 0 H ALA A 88 -10.066 1.552 8.651 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.887 1.040 10.751 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.494 2.183 9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.947 3.058 9.362 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.316 2.075 7.925 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.935 -1.090 8.331 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.539 -2.317 7.814 1.00 0.00 C ATOM 1400 C LEU A 89 -12.427 -3.472 8.818 1.00 0.00 C ATOM 1401 O LEU A 89 -12.971 -4.558 8.583 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.902 -2.727 6.473 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.351 -1.945 5.220 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.863 -1.965 5.074 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.834 -0.516 5.241 1.00 0.00 C ATOM 0 H LEU A 89 -11.030 -0.864 7.917 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.596 -2.106 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.821 -2.627 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.111 -3.784 6.307 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.918 -2.445 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.150 -1.406 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.206 -2.996 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.319 -1.507 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.169 0.005 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.217 -0.003 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.744 -0.524 5.271 1.00 0.00 H new ATOM 1417 N ARG A 90 -11.696 -3.237 9.915 1.00 0.00 N ATOM 1418 CA ARG A 90 -11.494 -4.244 10.968 1.00 0.00 C ATOM 1419 C ARG A 90 -12.826 -4.925 11.356 1.00 0.00 C ATOM 1420 O ARG A 90 -13.795 -4.265 11.729 1.00 0.00 O ATOM 1421 CB ARG A 90 -10.847 -3.586 12.198 1.00 0.00 C ATOM 1422 CG ARG A 90 -11.705 -2.500 12.828 1.00 0.00 C ATOM 1423 CD ARG A 90 -11.039 -1.859 14.039 1.00 0.00 C ATOM 1424 NE ARG A 90 -10.717 -2.838 15.092 1.00 0.00 N ATOM 1425 CZ ARG A 90 -11.625 -3.550 15.777 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -12.914 -3.457 15.477 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -11.236 -4.358 16.755 1.00 0.00 N ATOM 0 H ARG A 90 -11.230 -2.349 10.099 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.829 -5.017 10.583 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.641 -4.353 12.944 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.888 -3.157 11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.916 -1.731 12.084 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.663 -2.926 13.127 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.125 -1.357 13.723 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.698 -1.093 14.449 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.733 -2.985 15.316 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.219 -2.842 14.722 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.600 -4.000 16.001 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.246 -4.438 16.987 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.927 -4.899 17.275 1.00 0.00 H new ATOM 1441 N GLU A 91 -12.854 -6.245 11.260 1.00 0.00 N ATOM 1442 CA GLU A 91 -14.074 -7.015 11.514 1.00 0.00 C ATOM 1443 C GLU A 91 -13.800 -8.139 12.523 1.00 0.00 C ATOM 1444 O GLU A 91 -14.723 -8.828 12.971 1.00 0.00 O ATOM 1445 CB GLU A 91 -14.556 -7.616 10.182 1.00 0.00 C ATOM 1446 CG GLU A 91 -15.901 -8.333 10.233 1.00 0.00 C ATOM 1447 CD GLU A 91 -17.070 -7.387 10.405 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -17.316 -6.572 9.488 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -17.771 -7.479 11.438 1.00 0.00 O ATOM 0 H GLU A 91 -12.045 -6.813 11.007 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.839 -6.361 11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.618 -6.816 9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.803 -8.319 9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.036 -8.906 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.895 -9.047 11.056 1.00 0.00 H new ATOM 1456 N HIS A 92 -12.531 -8.306 12.888 1.00 0.00 N ATOM 1457 CA HIS A 92 -12.115 -9.393 13.768 1.00 0.00 C ATOM 1458 C HIS A 92 -12.773 -9.326 15.158 1.00 0.00 C ATOM 1459 O HIS A 92 -12.379 -8.530 16.007 1.00 0.00 O ATOM 1460 CB HIS A 92 -10.571 -9.459 13.871 1.00 0.00 C ATOM 1461 CG HIS A 92 -9.907 -8.243 14.475 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -9.770 -7.041 13.807 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -9.328 -8.060 15.687 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -9.133 -6.179 14.585 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -8.857 -6.773 15.727 1.00 0.00 N ATOM 0 H HIS A 92 -11.770 -7.698 12.585 1.00 0.00 H new ATOM 0 HA HIS A 92 -12.468 -10.319 13.313 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -10.301 -10.332 14.465 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.164 -9.615 12.872 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -9.252 -8.793 16.476 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.882 -5.161 14.326 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.371 -6.345 16.515 1.00 0.00 H new ATOM 1473 N GLY A 93 -13.816 -10.155 15.336 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.520 -10.305 16.620 1.00 0.00 C ATOM 1475 C GLY A 93 -14.700 -9.013 17.400 1.00 0.00 C ATOM 1476 O GLY A 93 -14.135 -8.858 18.484 1.00 0.00 O ATOM 0 H GLY A 93 -14.195 -10.741 14.592 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.502 -10.740 16.432 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.971 -11.014 17.239 1.00 0.00 H new ATOM 1480 N THR A 94 -15.471 -8.087 16.869 1.00 0.00 N ATOM 1481 CA THR A 94 -15.684 -6.835 17.561 1.00 0.00 C ATOM 1482 C THR A 94 -17.144 -6.641 17.947 1.00 0.00 C ATOM 1483 O THR A 94 -17.931 -6.099 17.179 1.00 0.00 O ATOM 1484 CB THR A 94 -15.226 -5.637 16.722 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.892 -5.864 16.248 1.00 0.00 O ATOM 1486 CG2 THR A 94 -15.253 -4.362 17.560 1.00 0.00 C ATOM 0 H THR A 94 -15.953 -8.175 15.975 1.00 0.00 H new ATOM 0 HA THR A 94 -15.082 -6.886 18.468 1.00 0.00 H new ATOM 0 HB THR A 94 -15.904 -5.522 15.876 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.887 -5.857 15.268 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.925 -3.519 16.951 1.00 0.00 H new ATOM 0 HG22 THR A 94 -16.268 -4.181 17.914 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.585 -4.474 18.414 1.00 0.00 H new ATOM 1494 N ILE A 95 -17.500 -7.101 19.128 1.00 0.00 N ATOM 1495 CA ILE A 95 -18.838 -6.903 19.649 1.00 0.00 C ATOM 1496 C ILE A 95 -18.792 -5.857 20.740 1.00 0.00 C ATOM 1497 O ILE A 95 -18.095 -6.028 21.743 1.00 0.00 O ATOM 1498 CB ILE A 95 -19.442 -8.216 20.203 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -19.552 -9.261 19.088 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -20.809 -7.959 20.830 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -19.939 -10.639 19.580 1.00 0.00 C ATOM 0 H ILE A 95 -16.878 -7.618 19.749 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.478 -6.570 18.832 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.779 -8.600 20.978 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -20.290 -8.925 18.359 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.596 -9.326 18.568 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -21.215 -8.895 21.213 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -20.706 -7.246 21.648 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -21.484 -7.552 20.077 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -19.997 -11.324 18.734 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -19.190 -10.997 20.286 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -20.909 -10.590 20.074 1.00 0.00 H new ATOM 1513 N TYR A 96 -19.506 -4.772 20.543 1.00 0.00 N ATOM 1514 CA TYR A 96 -19.498 -3.694 21.495 1.00 0.00 C ATOM 1515 C TYR A 96 -20.911 -3.179 21.700 1.00 0.00 C ATOM 1516 O TYR A 96 -21.647 -2.982 20.737 1.00 0.00 O ATOM 1517 CB TYR A 96 -18.579 -2.571 21.004 1.00 0.00 C ATOM 1518 CG TYR A 96 -18.016 -1.714 22.112 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -16.924 -2.150 22.852 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -18.565 -0.478 22.418 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -16.395 -1.382 23.865 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -18.041 0.299 23.433 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.955 -0.160 24.154 1.00 0.00 C ATOM 1524 OH TYR A 96 -16.431 0.607 25.166 1.00 0.00 O ATOM 0 H TYR A 96 -20.100 -4.616 19.729 1.00 0.00 H new ATOM 0 HA TYR A 96 -19.119 -4.058 22.450 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.754 -3.009 20.442 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -19.134 -1.936 20.313 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -16.482 -3.110 22.628 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -19.414 -0.118 21.855 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -15.545 -1.737 24.429 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.478 1.260 23.662 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.471 0.427 25.249 1.00 0.00 H new ATOM 1534 N CYS A 97 -21.292 -2.996 22.959 1.00 0.00 N ATOM 1535 CA CYS A 97 -22.627 -2.506 23.318 1.00 0.00 C ATOM 1536 C CYS A 97 -23.708 -3.546 22.966 1.00 0.00 C ATOM 1537 O CYS A 97 -24.899 -3.237 22.922 1.00 0.00 O ATOM 1538 CB CYS A 97 -22.915 -1.154 22.629 1.00 0.00 C ATOM 1539 SG CYS A 97 -24.382 -0.285 23.242 1.00 0.00 S ATOM 0 H CYS A 97 -20.690 -3.181 23.761 1.00 0.00 H new ATOM 0 HA CYS A 97 -22.653 -2.349 24.396 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -22.047 -0.506 22.755 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -23.032 -1.325 21.559 1.00 0.00 H new ATOM 0 HG CYS A 97 -25.357 -1.131 23.390 1.00 0.00 H new ATOM 1545 N GLY A 98 -23.282 -4.781 22.739 1.00 0.00 N ATOM 1546 CA GLY A 98 -24.217 -5.844 22.443 1.00 0.00 C ATOM 1547 C GLY A 98 -24.189 -6.304 20.995 1.00 0.00 C ATOM 1548 O GLY A 98 -24.667 -7.393 20.683 1.00 0.00 O ATOM 0 H GLY A 98 -22.302 -5.065 22.755 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -24.000 -6.695 23.088 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -25.224 -5.507 22.687 1.00 0.00 H new ATOM 1552 N ALA A 99 -23.616 -5.506 20.112 1.00 0.00 N ATOM 1553 CA ALA A 99 -23.589 -5.860 18.699 1.00 0.00 C ATOM 1554 C ALA A 99 -22.239 -5.572 18.078 1.00 0.00 C ATOM 1555 O ALA A 99 -21.449 -4.803 18.615 1.00 0.00 O ATOM 1556 CB ALA A 99 -24.675 -5.118 17.948 1.00 0.00 C ATOM 0 H ALA A 99 -23.168 -4.619 20.341 1.00 0.00 H new ATOM 0 HA ALA A 99 -23.771 -6.932 18.625 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.642 -5.393 16.894 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -25.648 -5.382 18.361 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -24.518 -4.044 18.048 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.960 -6.222 16.961 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.727 -5.984 16.242 1.00 0.00 C ATOM 1564 C ALA A 100 -20.822 -4.677 15.479 1.00 0.00 C ATOM 1565 O ALA A 100 -21.856 -4.373 14.885 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.418 -7.137 15.292 1.00 0.00 C ATOM 0 H ALA A 100 -22.572 -6.918 16.535 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.912 -5.917 16.962 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.486 -6.934 14.764 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -20.318 -8.061 15.862 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.229 -7.241 14.571 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.763 -3.903 15.500 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.753 -2.641 14.793 1.00 0.00 C ATOM 1574 C ILE A 101 -19.084 -2.803 13.441 1.00 0.00 C ATOM 1575 O ILE A 101 -18.097 -3.529 13.311 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.062 -1.513 15.603 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.603 -1.872 15.911 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.832 -1.238 16.890 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.832 -0.746 16.571 1.00 0.00 C ATOM 0 H ILE A 101 -18.899 -4.122 15.996 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.792 -2.343 14.651 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.063 -0.607 14.997 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.581 -2.747 16.561 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.102 -2.151 14.984 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.336 -0.444 17.448 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.849 -0.930 16.647 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.863 -2.143 17.496 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.808 -1.068 16.761 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -16.823 0.123 15.913 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.310 -0.482 17.514 1.00 0.00 H new ATOM 1591 N GLY A 102 -19.638 -2.164 12.434 1.00 0.00 N ATOM 1592 CA GLY A 102 -19.088 -2.277 11.105 1.00 0.00 C ATOM 1593 C GLY A 102 -18.818 -0.935 10.480 1.00 0.00 C ATOM 1594 O GLY A 102 -19.562 0.027 10.712 1.00 0.00 O ATOM 0 H GLY A 102 -20.461 -1.567 12.510 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -18.161 -2.849 11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -19.780 -2.836 10.475 1.00 0.00 H new ATOM 1598 N CYS A 103 -17.749 -0.853 9.712 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.388 0.366 9.019 1.00 0.00 C ATOM 1600 C CYS A 103 -17.088 0.057 7.560 1.00 0.00 C ATOM 1601 O CYS A 103 -16.032 -0.486 7.237 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.169 1.015 9.677 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.341 1.285 11.453 1.00 0.00 S ATOM 0 H CYS A 103 -17.107 -1.630 9.552 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.224 1.063 9.076 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -15.297 0.386 9.500 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -15.976 1.972 9.193 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.258 1.836 11.915 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.021 0.379 6.692 1.00 0.00 N ATOM 1610 CA VAL A 104 -17.854 0.123 5.271 1.00 0.00 C ATOM 1611 C VAL A 104 -17.802 1.436 4.503 1.00 0.00 C ATOM 1612 O VAL A 104 -18.255 2.466 5.009 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.000 -0.762 4.707 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.014 -2.121 5.386 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.350 -0.071 4.854 1.00 0.00 C ATOM 0 H VAL A 104 -18.906 0.820 6.942 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.915 -0.416 5.145 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.815 -0.913 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -19.824 -2.724 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.063 -2.624 5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.165 -1.991 6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.133 -0.713 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.547 0.123 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.337 0.872 4.308 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.248 1.428 3.274 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.160 2.632 2.444 1.00 0.00 C ATOM 1627 C PRO A 105 -18.536 3.211 2.160 1.00 0.00 C ATOM 1628 O PRO A 105 -19.522 2.471 2.065 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.505 2.140 1.146 1.00 0.00 C ATOM 1630 CG PRO A 105 -15.838 0.860 1.511 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.668 0.254 2.602 1.00 0.00 C ATOM 0 HA PRO A 105 -16.597 3.428 2.931 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.247 1.989 0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.785 2.866 0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -15.778 0.193 0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -14.817 1.036 1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.440 -0.404 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.063 -0.343 3.284 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.603 4.529 2.042 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.864 5.211 1.823 1.00 0.00 C ATOM 1641 C TYR A 106 -20.569 4.712 0.571 1.00 0.00 C ATOM 1642 O TYR A 106 -20.020 4.756 -0.534 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.649 6.725 1.729 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.920 7.506 1.440 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.815 7.819 2.454 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -21.224 7.924 0.148 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.974 8.527 2.192 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -22.377 8.630 -0.121 1.00 0.00 C ATOM 1649 CZ TYR A 106 -23.249 8.929 0.901 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.401 9.635 0.630 1.00 0.00 O ATOM 0 H TYR A 106 -17.793 5.147 2.095 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.502 4.989 2.679 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.220 7.081 2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.920 6.932 0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.603 7.504 3.465 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.544 7.691 -0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.659 8.764 2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.595 8.947 -1.130 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.332 10.045 -0.258 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.785 4.245 0.762 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.619 3.785 -0.318 1.00 0.00 C ATOM 1662 C LYS A 107 -23.967 4.474 -0.226 1.00 0.00 C ATOM 1663 O LYS A 107 -24.566 4.527 0.849 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.805 2.262 -0.249 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.533 1.462 -0.484 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.801 -0.032 -0.406 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.539 -0.840 -0.659 1.00 0.00 C ATOM 1668 NZ LYS A 107 -20.792 -2.297 -0.592 1.00 0.00 N ATOM 0 H LYS A 107 -22.222 4.175 1.681 1.00 0.00 H new ATOM 0 HA LYS A 107 -22.141 4.027 -1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.208 2.001 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.548 1.965 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.120 1.709 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.784 1.739 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.201 -0.280 0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.561 -0.305 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -20.136 -0.586 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -19.781 -0.569 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.906 -2.812 -0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -21.152 -2.544 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -21.496 -2.561 -1.311 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.447 4.991 -1.340 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.729 5.691 -1.368 1.00 0.00 C ATOM 1684 C HIS A 108 -26.859 4.725 -1.071 1.00 0.00 C ATOM 1685 O HIS A 108 -27.777 5.037 -0.317 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.957 6.362 -2.727 1.00 0.00 C ATOM 1687 CG HIS A 108 -25.005 7.481 -3.013 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -23.808 7.297 -3.675 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -25.071 8.803 -2.725 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -23.182 8.455 -3.776 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -23.925 9.381 -3.211 1.00 0.00 N ATOM 0 H HIS A 108 -23.973 4.943 -2.242 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.710 6.466 -0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -25.868 5.611 -3.512 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -26.977 6.745 -2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -25.875 9.308 -2.210 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -22.222 8.615 -4.244 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -23.688 10.371 -3.145 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.754 3.533 -1.642 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.751 2.491 -1.462 1.00 0.00 C ATOM 1701 C GLU A 109 -27.838 2.074 0.003 1.00 0.00 C ATOM 1702 O GLU A 109 -28.919 1.789 0.517 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.394 1.286 -2.332 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.411 0.162 -2.293 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.026 -0.991 -3.186 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -27.243 -1.858 -2.743 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -28.504 -1.039 -4.342 1.00 0.00 O ATOM 0 H GLU A 109 -25.975 3.263 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.724 2.880 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.278 1.619 -3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.427 0.896 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.516 -0.195 -1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.385 0.545 -2.598 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.689 2.054 0.671 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.629 1.685 2.075 1.00 0.00 C ATOM 1716 C LEU A 110 -27.424 2.676 2.916 1.00 0.00 C ATOM 1717 O LEU A 110 -28.200 2.288 3.783 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.174 1.646 2.553 1.00 0.00 C ATOM 1719 CG LEU A 110 -24.959 1.290 4.025 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.334 -0.160 4.288 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.521 1.555 4.431 1.00 0.00 C ATOM 0 H LEU A 110 -25.786 2.290 0.259 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.065 0.693 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.632 0.924 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.725 2.622 2.367 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.608 1.923 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.173 -0.392 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.383 -0.315 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -24.714 -0.813 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.386 1.296 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -22.853 0.949 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.290 2.610 4.285 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.251 3.959 2.625 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.952 5.006 3.353 1.00 0.00 C ATOM 1735 C ILE A 111 -29.456 4.877 3.143 1.00 0.00 C ATOM 1736 O ILE A 111 -30.239 4.938 4.095 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.489 6.412 2.899 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.963 6.541 3.021 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -28.188 7.501 3.708 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -25.433 6.357 4.431 1.00 0.00 C ATOM 0 H ILE A 111 -26.631 4.298 1.890 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.718 4.888 4.411 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.763 6.540 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.494 5.803 2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.663 7.524 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -27.847 8.480 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -29.266 7.424 3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.951 7.378 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.348 6.464 4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.870 7.111 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.699 5.364 4.793 1.00 0.00 H new ATOM 1752 N SER A 112 -29.850 4.673 1.895 1.00 0.00 N ATOM 1753 CA SER A 112 -31.246 4.506 1.543 1.00 0.00 C ATOM 1754 C SER A 112 -31.851 3.276 2.239 1.00 0.00 C ATOM 1755 O SER A 112 -32.997 3.314 2.704 1.00 0.00 O ATOM 1756 CB SER A 112 -31.388 4.394 0.028 1.00 0.00 C ATOM 1757 OG SER A 112 -30.811 5.519 -0.617 1.00 0.00 O ATOM 0 H SER A 112 -29.211 4.619 1.102 1.00 0.00 H new ATOM 0 HA SER A 112 -31.796 5.382 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.904 3.482 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.442 4.318 -0.238 1.00 0.00 H new ATOM 0 HG SER A 112 -29.834 5.441 -0.600 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.078 2.190 2.310 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.533 0.962 2.958 1.00 0.00 C ATOM 1765 C GLU A 113 -31.807 1.199 4.444 1.00 0.00 C ATOM 1766 O GLU A 113 -32.875 0.855 4.948 1.00 0.00 O ATOM 1767 CB GLU A 113 -30.490 -0.142 2.801 1.00 0.00 C ATOM 1768 CG GLU A 113 -30.925 -1.480 3.375 1.00 0.00 C ATOM 1769 CD GLU A 113 -29.860 -2.538 3.250 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -28.988 -2.622 4.136 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -29.878 -3.287 2.255 1.00 0.00 O ATOM 0 H GLU A 113 -30.134 2.138 1.926 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.460 0.652 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -30.263 -0.267 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -29.567 0.170 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -31.184 -1.353 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -31.827 -1.815 2.862 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.843 1.792 5.131 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.975 2.104 6.540 1.00 0.00 C ATOM 1780 C LEU A 114 -32.091 3.107 6.790 1.00 0.00 C ATOM 1781 O LEU A 114 -32.813 3.002 7.779 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.648 2.601 7.115 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.652 1.501 7.515 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -28.220 0.667 6.323 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -27.446 2.090 8.225 1.00 0.00 C ATOM 0 H LEU A 114 -29.949 2.069 4.725 1.00 0.00 H new ATOM 0 HA LEU A 114 -31.245 1.183 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -29.172 3.249 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.858 3.214 7.991 1.00 0.00 H new ATOM 0 HG LEU A 114 -29.168 0.837 8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -27.516 -0.098 6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -29.093 0.190 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -27.740 1.309 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -26.757 1.290 8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -26.942 2.794 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -27.772 2.610 9.126 1.00 0.00 H new ATOM 1797 N SER A 115 -32.229 4.072 5.895 1.00 0.00 N ATOM 1798 CA SER A 115 -33.269 5.080 6.018 1.00 0.00 C ATOM 1799 C SER A 115 -34.661 4.426 6.001 1.00 0.00 C ATOM 1800 O SER A 115 -35.529 4.769 6.811 1.00 0.00 O ATOM 1801 CB SER A 115 -33.144 6.113 4.888 1.00 0.00 C ATOM 1802 OG SER A 115 -34.101 7.150 5.024 1.00 0.00 O ATOM 0 H SER A 115 -31.633 4.178 5.074 1.00 0.00 H new ATOM 0 HA SER A 115 -33.145 5.592 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 115 -32.141 6.539 4.893 1.00 0.00 H new ATOM 0 HB3 SER A 115 -33.276 5.619 3.925 1.00 0.00 H new ATOM 0 HG SER A 115 -33.994 7.792 4.291 1.00 0.00 H new