USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 445 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 Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0395 K(o=-0.039,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 25 MET CE :methyl -162:sc= -4.5 (180deg=-6.08!) USER MOD Single : A 26 LYS NZ :NH3+ -144:sc= -0.196 (180deg=-1.35) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0168) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.292 F(o=-1.7!,f=0.29) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.355 K(o=0.35,f=-7.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.209 K(o=0.21,f=-0.52) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.409) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -4.908 -7.544 -6.904 1.00 0.00 N ATOM 89 CA GLU A 7 -6.176 -7.176 -6.285 1.00 0.00 C ATOM 90 C GLU A 7 -7.212 -8.281 -6.469 1.00 0.00 C ATOM 91 O GLU A 7 -6.966 -9.269 -7.161 1.00 0.00 O ATOM 92 CB GLU A 7 -6.699 -5.867 -6.880 1.00 0.00 C ATOM 93 CG GLU A 7 -5.698 -4.725 -6.813 1.00 0.00 C ATOM 94 CD GLU A 7 -6.095 -3.550 -7.686 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.929 -2.735 -7.238 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.572 -3.445 -8.815 1.00 0.00 O ATOM 0 HA GLU A 7 -6.003 -7.038 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.976 -6.036 -7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.607 -5.575 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.603 -4.390 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.718 -5.087 -7.122 1.00 0.00 H new ATOM 103 N LEU A 8 -8.371 -8.107 -5.844 1.00 0.00 N ATOM 104 CA LEU A 8 -9.446 -9.088 -5.938 1.00 0.00 C ATOM 105 C LEU A 8 -10.621 -8.535 -6.738 1.00 0.00 C ATOM 106 O LEU A 8 -10.808 -7.321 -6.828 1.00 0.00 O ATOM 107 CB LEU A 8 -9.913 -9.497 -4.540 1.00 0.00 C ATOM 108 CG LEU A 8 -8.831 -10.029 -3.600 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.170 -9.696 -2.155 1.00 0.00 C ATOM 110 CD2 LEU A 8 -8.661 -11.531 -3.777 1.00 0.00 C ATOM 0 H LEU A 8 -8.590 -7.295 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.059 -9.965 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.383 -8.634 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.683 -10.261 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.887 -9.545 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.389 -10.082 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.240 -8.615 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.124 -10.152 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.887 -11.892 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.602 -12.033 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.372 -11.746 -4.806 1.00 0.00 H new ATOM 122 N VAL A 9 -11.412 -9.433 -7.316 1.00 0.00 N ATOM 123 CA VAL A 9 -12.572 -9.035 -8.106 1.00 0.00 C ATOM 124 C VAL A 9 -13.802 -9.849 -7.724 1.00 0.00 C ATOM 125 O VAL A 9 -13.699 -11.028 -7.381 1.00 0.00 O ATOM 126 CB VAL A 9 -12.307 -9.200 -9.614 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.264 -8.199 -10.087 1.00 0.00 C ATOM 128 CG2 VAL A 9 -11.871 -10.624 -9.925 1.00 0.00 C ATOM 0 H VAL A 9 -11.271 -10.441 -7.252 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.756 -7.982 -7.891 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.234 -9.002 -10.152 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.091 -8.331 -11.155 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.621 -7.186 -9.900 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.332 -8.361 -9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.688 -10.723 -10.995 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.956 -10.852 -9.378 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.656 -11.318 -9.625 1.00 0.00 H new ATOM 138 N LEU A 10 -14.968 -9.214 -7.786 1.00 0.00 N ATOM 139 CA LEU A 10 -16.221 -9.880 -7.448 1.00 0.00 C ATOM 140 C LEU A 10 -16.946 -10.347 -8.705 1.00 0.00 C ATOM 141 O LEU A 10 -17.002 -9.630 -9.704 1.00 0.00 O ATOM 142 CB LEU A 10 -17.121 -8.938 -6.646 1.00 0.00 C ATOM 143 CG LEU A 10 -18.510 -9.474 -6.296 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.473 -10.237 -4.982 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.518 -8.336 -6.226 1.00 0.00 C ATOM 0 H LEU A 10 -15.071 -8.239 -8.067 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.987 -10.754 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.609 -8.680 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.242 -8.014 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.822 -10.162 -7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.470 -10.611 -4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.782 -11.076 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.140 -9.573 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.501 -8.735 -5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.210 -7.624 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.566 -7.832 -7.192 1.00 0.00 H new ATOM 157 N ALA A 11 -17.502 -11.553 -8.648 1.00 0.00 N ATOM 158 CA ALA A 11 -18.228 -12.114 -9.781 1.00 0.00 C ATOM 159 C ALA A 11 -19.630 -11.523 -9.882 1.00 0.00 C ATOM 160 O ALA A 11 -20.409 -11.581 -8.929 1.00 0.00 O ATOM 161 CB ALA A 11 -18.299 -13.630 -9.664 1.00 0.00 C ATOM 0 H ALA A 11 -17.463 -12.160 -7.829 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.687 -11.856 -10.691 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.844 -14.036 -10.517 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.290 -14.041 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.814 -13.900 -8.742 1.00 0.00 H new ATOM 167 N LEU A 12 -19.945 -10.955 -11.040 1.00 0.00 N ATOM 168 CA LEU A 12 -21.254 -10.352 -11.265 1.00 0.00 C ATOM 169 C LEU A 12 -22.355 -11.407 -11.217 1.00 0.00 C ATOM 170 O LEU A 12 -23.202 -11.394 -10.324 1.00 0.00 O ATOM 171 CB LEU A 12 -21.281 -9.632 -12.615 1.00 0.00 C ATOM 172 CG LEU A 12 -20.399 -8.388 -12.729 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.516 -7.777 -14.117 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.772 -7.369 -11.663 1.00 0.00 C ATOM 0 H LEU A 12 -19.312 -10.899 -11.838 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.434 -9.628 -10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.979 -10.339 -13.388 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.310 -9.344 -12.831 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.362 -8.686 -12.571 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.882 -6.893 -14.180 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.198 -8.505 -14.863 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.552 -7.494 -14.304 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.134 -6.491 -11.760 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.814 -7.076 -11.789 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.636 -7.809 -10.675 1.00 0.00 H new ATOM 186 N TYR A 13 -22.336 -12.319 -12.182 1.00 0.00 N ATOM 187 CA TYR A 13 -23.332 -13.381 -12.250 1.00 0.00 C ATOM 188 C TYR A 13 -22.681 -14.751 -12.080 1.00 0.00 C ATOM 189 O TYR A 13 -21.469 -14.855 -11.889 1.00 0.00 O ATOM 190 CB TYR A 13 -24.081 -13.323 -13.583 1.00 0.00 C ATOM 191 CG TYR A 13 -24.522 -11.929 -13.969 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.475 -11.249 -13.222 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.983 -11.292 -15.080 1.00 0.00 C ATOM 194 CE1 TYR A 13 -25.882 -9.976 -13.571 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.383 -10.018 -15.436 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.332 -9.364 -14.679 1.00 0.00 C ATOM 197 OH TYR A 13 -25.733 -8.096 -15.030 1.00 0.00 O ATOM 0 H TYR A 13 -21.641 -12.344 -12.928 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.041 -13.231 -11.435 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.440 -13.723 -14.368 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -24.957 -13.970 -13.527 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -25.906 -11.724 -12.353 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -23.239 -11.801 -15.675 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -26.626 -9.463 -12.980 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.954 -9.537 -16.303 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.249 -7.810 -15.833 1.00 0.00 H new ATOM 207 N ASP A 14 -23.495 -15.798 -12.151 1.00 0.00 N ATOM 208 CA ASP A 14 -23.000 -17.162 -12.006 1.00 0.00 C ATOM 209 C ASP A 14 -22.563 -17.727 -13.354 1.00 0.00 C ATOM 210 O ASP A 14 -23.345 -17.772 -14.303 1.00 0.00 O ATOM 211 CB ASP A 14 -24.078 -18.056 -11.390 1.00 0.00 C ATOM 212 CG ASP A 14 -25.401 -17.956 -12.123 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.576 -18.671 -13.133 1.00 0.00 O ATOM 214 OD2 ASP A 14 -26.262 -17.164 -11.687 1.00 0.00 O ATOM 0 H ASP A 14 -24.500 -15.729 -12.308 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.135 -17.140 -11.343 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.737 -19.091 -11.401 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.223 -17.779 -10.346 1.00 0.00 H new ATOM 219 N TYR A 15 -21.308 -18.156 -13.431 1.00 0.00 N ATOM 220 CA TYR A 15 -20.765 -18.714 -14.663 1.00 0.00 C ATOM 221 C TYR A 15 -20.274 -20.142 -14.444 1.00 0.00 C ATOM 222 O TYR A 15 -20.262 -20.640 -13.318 1.00 0.00 O ATOM 223 CB TYR A 15 -19.619 -17.844 -15.181 1.00 0.00 C ATOM 224 CG TYR A 15 -19.485 -17.852 -16.687 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.540 -17.458 -17.500 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.303 -18.256 -17.297 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.423 -17.464 -18.877 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.176 -18.264 -18.673 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.239 -17.868 -19.458 1.00 0.00 C ATOM 230 OH TYR A 15 -19.117 -17.876 -20.829 1.00 0.00 O ATOM 0 H TYR A 15 -20.648 -18.128 -12.654 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.563 -18.732 -15.405 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -19.771 -16.819 -14.844 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.684 -18.189 -14.740 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.468 -17.141 -17.048 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.470 -18.569 -16.685 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.253 -17.154 -19.494 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.250 -18.578 -19.131 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.221 -18.186 -21.076 1.00 0.00 H new ATOM 240 N GLN A 16 -19.871 -20.795 -15.529 1.00 0.00 N ATOM 241 CA GLN A 16 -19.379 -22.166 -15.457 1.00 0.00 C ATOM 242 C GLN A 16 -18.178 -22.363 -16.375 1.00 0.00 C ATOM 243 O GLN A 16 -17.879 -21.512 -17.211 1.00 0.00 O ATOM 244 CB GLN A 16 -20.490 -23.149 -15.832 1.00 0.00 C ATOM 245 CG GLN A 16 -21.325 -23.605 -14.647 1.00 0.00 C ATOM 246 CD GLN A 16 -22.626 -24.259 -15.067 1.00 0.00 C ATOM 247 OE1 GLN A 16 -23.241 -23.865 -16.058 1.00 0.00 O ATOM 248 NE2 GLN A 16 -23.055 -25.265 -14.313 1.00 0.00 N ATOM 0 H GLN A 16 -19.875 -20.397 -16.468 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.064 -22.359 -14.432 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.144 -22.681 -16.568 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.045 -24.022 -16.310 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.746 -24.308 -14.049 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.543 -22.748 -14.010 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.514 -25.560 -13.500 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.925 -25.743 -14.547 1.00 0.00 H new ATOM 257 N GLU A 17 -17.493 -23.491 -16.212 1.00 0.00 N ATOM 258 CA GLU A 17 -16.323 -23.798 -17.027 1.00 0.00 C ATOM 259 C GLU A 17 -16.733 -24.162 -18.451 1.00 0.00 C ATOM 260 O GLU A 17 -16.756 -25.336 -18.822 1.00 0.00 O ATOM 261 CB GLU A 17 -15.528 -24.947 -16.403 1.00 0.00 C ATOM 262 CG GLU A 17 -14.456 -24.487 -15.430 1.00 0.00 C ATOM 263 CD GLU A 17 -13.216 -25.359 -15.472 1.00 0.00 C ATOM 264 OE1 GLU A 17 -13.287 -26.462 -16.053 1.00 0.00 O ATOM 265 OE2 GLU A 17 -12.176 -24.939 -14.925 1.00 0.00 O ATOM 0 H GLU A 17 -17.728 -24.206 -15.524 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.694 -22.909 -17.065 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.216 -25.614 -15.884 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.060 -25.528 -17.198 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.180 -23.458 -15.660 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.863 -24.490 -14.419 1.00 0.00 H new ATOM 272 N LYS A 18 -17.055 -23.147 -19.246 1.00 0.00 N ATOM 273 CA LYS A 18 -17.462 -23.358 -20.630 1.00 0.00 C ATOM 274 C LYS A 18 -16.270 -23.757 -21.493 1.00 0.00 C ATOM 275 O LYS A 18 -16.436 -24.326 -22.572 1.00 0.00 O ATOM 276 CB LYS A 18 -18.111 -22.090 -21.190 1.00 0.00 C ATOM 277 CG LYS A 18 -18.404 -22.164 -22.679 1.00 0.00 C ATOM 278 CD LYS A 18 -19.131 -20.922 -23.166 1.00 0.00 C ATOM 279 CE LYS A 18 -20.636 -21.051 -22.990 1.00 0.00 C ATOM 280 NZ LYS A 18 -21.257 -21.846 -24.085 1.00 0.00 N ATOM 0 H LYS A 18 -17.042 -22.169 -18.955 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.189 -24.170 -20.650 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -19.041 -21.901 -20.654 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.455 -21.241 -20.999 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.470 -22.279 -23.229 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.009 -23.046 -22.888 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.773 -20.051 -22.617 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.900 -20.753 -24.218 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.850 -21.524 -22.032 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.085 -20.058 -22.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.283 -21.911 -23.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.075 -21.382 -24.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -20.848 -22.802 -24.095 1.00 0.00 H new ATOM 294 N SER A 19 -15.069 -23.454 -21.012 1.00 0.00 N ATOM 295 CA SER A 19 -13.848 -23.780 -21.741 1.00 0.00 C ATOM 296 C SER A 19 -12.861 -24.521 -20.845 1.00 0.00 C ATOM 297 O SER A 19 -12.950 -24.486 -19.618 1.00 0.00 O ATOM 298 CB SER A 19 -13.201 -22.506 -22.288 1.00 0.00 C ATOM 299 OG SER A 19 -13.694 -22.197 -23.580 1.00 0.00 O ATOM 0 H SER A 19 -14.915 -22.983 -20.120 1.00 0.00 H new ATOM 0 HA SER A 19 -14.114 -24.431 -22.574 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.399 -21.675 -21.611 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.119 -22.633 -22.329 1.00 0.00 H new ATOM 0 HG SER A 19 -13.266 -21.378 -23.906 1.00 0.00 H new ATOM 305 N PRO A 20 -11.896 -25.210 -21.472 1.00 0.00 N ATOM 306 CA PRO A 20 -10.872 -25.973 -20.752 1.00 0.00 C ATOM 307 C PRO A 20 -9.887 -25.071 -20.018 1.00 0.00 C ATOM 308 O PRO A 20 -9.228 -25.498 -19.069 1.00 0.00 O ATOM 309 CB PRO A 20 -10.161 -26.749 -21.864 1.00 0.00 C ATOM 310 CG PRO A 20 -10.378 -25.935 -23.093 1.00 0.00 C ATOM 311 CD PRO A 20 -11.730 -25.296 -22.933 1.00 0.00 C ATOM 0 HA PRO A 20 -11.305 -26.609 -19.980 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.099 -26.865 -21.649 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.575 -27.751 -21.975 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.600 -25.180 -23.203 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.345 -26.560 -23.986 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.767 -24.312 -23.400 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.515 -25.897 -23.392 1.00 0.00 H new ATOM 319 N ARG A 21 -9.790 -23.822 -20.462 1.00 0.00 N ATOM 320 CA ARG A 21 -8.884 -22.860 -19.847 1.00 0.00 C ATOM 321 C ARG A 21 -9.643 -21.907 -18.928 1.00 0.00 C ATOM 322 O ARG A 21 -9.041 -21.112 -18.209 1.00 0.00 O ATOM 323 CB ARG A 21 -8.142 -22.065 -20.923 1.00 0.00 C ATOM 324 CG ARG A 21 -7.525 -22.935 -22.006 1.00 0.00 C ATOM 325 CD ARG A 21 -6.831 -22.095 -23.067 1.00 0.00 C ATOM 326 NE ARG A 21 -6.562 -22.860 -24.281 1.00 0.00 N ATOM 327 CZ ARG A 21 -7.509 -23.266 -25.120 1.00 0.00 C ATOM 328 NH1 ARG A 21 -8.781 -22.980 -24.877 1.00 0.00 N ATOM 329 NH2 ARG A 21 -7.185 -23.958 -26.204 1.00 0.00 N ATOM 0 H ARG A 21 -10.328 -23.453 -21.246 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.160 -23.413 -19.249 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.834 -21.361 -21.385 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.356 -21.476 -20.450 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.807 -23.622 -21.557 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.301 -23.543 -22.472 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.453 -21.234 -23.312 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.894 -21.708 -22.667 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.593 -23.096 -24.497 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.034 -22.447 -24.045 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.506 -23.293 -25.522 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.208 -24.179 -26.395 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.913 -24.269 -26.847 1.00 0.00 H new ATOM 343 N GLU A 22 -10.970 -21.995 -18.959 1.00 0.00 N ATOM 344 CA GLU A 22 -11.811 -21.140 -18.130 1.00 0.00 C ATOM 345 C GLU A 22 -12.173 -21.837 -16.822 1.00 0.00 C ATOM 346 O GLU A 22 -12.176 -23.065 -16.740 1.00 0.00 O ATOM 347 CB GLU A 22 -13.085 -20.754 -18.885 1.00 0.00 C ATOM 348 CG GLU A 22 -12.984 -19.420 -19.606 1.00 0.00 C ATOM 349 CD GLU A 22 -13.997 -19.285 -20.727 1.00 0.00 C ATOM 350 OE1 GLU A 22 -15.208 -19.231 -20.428 1.00 0.00 O ATOM 351 OE2 GLU A 22 -13.578 -19.235 -21.902 1.00 0.00 O ATOM 0 H GLU A 22 -11.484 -22.649 -19.549 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.248 -20.236 -17.896 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.317 -21.533 -19.611 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.917 -20.715 -18.182 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.131 -18.612 -18.889 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.979 -19.306 -20.013 1.00 0.00 H new ATOM 358 N VAL A 23 -12.479 -21.043 -15.801 1.00 0.00 N ATOM 359 CA VAL A 23 -12.844 -21.582 -14.496 1.00 0.00 C ATOM 360 C VAL A 23 -14.296 -21.265 -14.157 1.00 0.00 C ATOM 361 O VAL A 23 -14.893 -20.350 -14.725 1.00 0.00 O ATOM 362 CB VAL A 23 -11.935 -21.025 -13.384 1.00 0.00 C ATOM 363 CG1 VAL A 23 -10.580 -21.717 -13.405 1.00 0.00 C ATOM 364 CG2 VAL A 23 -11.776 -19.519 -13.532 1.00 0.00 C ATOM 0 H VAL A 23 -12.481 -20.024 -15.852 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.715 -22.663 -14.553 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.403 -21.226 -12.420 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.952 -21.310 -12.613 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.715 -22.787 -13.248 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.101 -21.550 -14.370 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.131 -19.142 -12.739 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.330 -19.294 -14.501 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.753 -19.041 -13.463 1.00 0.00 H new ATOM 374 N THR A 24 -14.860 -22.028 -13.226 1.00 0.00 N ATOM 375 CA THR A 24 -16.243 -21.829 -12.810 1.00 0.00 C ATOM 376 C THR A 24 -16.340 -20.790 -11.700 1.00 0.00 C ATOM 377 O THR A 24 -15.637 -20.876 -10.693 1.00 0.00 O ATOM 378 CB THR A 24 -16.878 -23.145 -12.323 1.00 0.00 C ATOM 379 OG1 THR A 24 -16.875 -24.112 -13.380 1.00 0.00 O ATOM 380 CG2 THR A 24 -18.303 -22.914 -11.844 1.00 0.00 C ATOM 0 H THR A 24 -14.380 -22.789 -12.746 1.00 0.00 H new ATOM 0 HA THR A 24 -16.787 -21.473 -13.685 1.00 0.00 H new ATOM 0 HB THR A 24 -16.287 -23.520 -11.487 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.279 -24.946 -13.061 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.730 -23.858 -11.505 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.299 -22.201 -11.020 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.903 -22.518 -12.663 1.00 0.00 H new ATOM 388 N MET A 25 -17.215 -19.808 -11.889 1.00 0.00 N ATOM 389 CA MET A 25 -17.405 -18.752 -10.901 1.00 0.00 C ATOM 390 C MET A 25 -18.878 -18.615 -10.528 1.00 0.00 C ATOM 391 O MET A 25 -19.756 -19.120 -11.228 1.00 0.00 O ATOM 392 CB MET A 25 -16.876 -17.421 -11.438 1.00 0.00 C ATOM 393 CG MET A 25 -17.592 -16.944 -12.691 1.00 0.00 C ATOM 394 SD MET A 25 -17.429 -15.167 -12.950 1.00 0.00 S ATOM 395 CE MET A 25 -17.103 -15.109 -14.710 1.00 0.00 C ATOM 0 H MET A 25 -17.804 -19.721 -12.717 1.00 0.00 H new ATOM 0 HA MET A 25 -16.846 -19.022 -10.005 1.00 0.00 H new ATOM 0 HB2 MET A 25 -16.973 -16.661 -10.662 1.00 0.00 H new ATOM 0 HB3 MET A 25 -15.812 -17.522 -11.654 1.00 0.00 H new ATOM 0 HG2 MET A 25 -17.192 -17.472 -13.557 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.649 -17.202 -12.621 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.669 -14.143 -14.968 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.405 -15.903 -14.977 1.00 0.00 H new ATOM 0 HE3 MET A 25 -18.036 -15.246 -15.257 1.00 0.00 H new ATOM 405 N LYS A 26 -19.141 -17.928 -9.422 1.00 0.00 N ATOM 406 CA LYS A 26 -20.508 -17.722 -8.956 1.00 0.00 C ATOM 407 C LYS A 26 -20.710 -16.287 -8.480 1.00 0.00 C ATOM 408 O LYS A 26 -19.828 -15.700 -7.852 1.00 0.00 O ATOM 409 CB LYS A 26 -20.834 -18.697 -7.823 1.00 0.00 C ATOM 410 CG LYS A 26 -22.289 -18.660 -7.389 1.00 0.00 C ATOM 411 CD LYS A 26 -22.731 -19.992 -6.806 1.00 0.00 C ATOM 412 CE LYS A 26 -22.152 -20.213 -5.417 1.00 0.00 C ATOM 413 NZ LYS A 26 -20.753 -20.721 -5.474 1.00 0.00 N ATOM 0 H LYS A 26 -18.426 -17.504 -8.831 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.182 -17.907 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.584 -19.709 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.202 -18.469 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.429 -17.873 -6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -22.918 -18.409 -8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.819 -20.026 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.416 -20.801 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -22.176 -19.276 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -22.774 -20.923 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -20.597 -21.397 -4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -20.593 -21.196 -6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -20.090 -19.925 -5.378 1.00 0.00 H new ATOM 427 N LYS A 27 -21.877 -15.728 -8.781 1.00 0.00 N ATOM 428 CA LYS A 27 -22.197 -14.362 -8.382 1.00 0.00 C ATOM 429 C LYS A 27 -21.959 -14.162 -6.889 1.00 0.00 C ATOM 430 O LYS A 27 -22.323 -15.008 -6.073 1.00 0.00 O ATOM 431 CB LYS A 27 -23.652 -14.037 -8.726 1.00 0.00 C ATOM 432 CG LYS A 27 -24.653 -14.603 -7.734 1.00 0.00 C ATOM 433 CD LYS A 27 -24.658 -16.123 -7.753 1.00 0.00 C ATOM 434 CE LYS A 27 -25.926 -16.684 -7.129 1.00 0.00 C ATOM 435 NZ LYS A 27 -26.042 -16.325 -5.689 1.00 0.00 N ATOM 0 H LYS A 27 -22.617 -16.200 -9.300 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.541 -13.686 -8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -23.772 -12.955 -8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -23.877 -14.426 -9.719 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.411 -14.251 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.650 -14.232 -7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.570 -16.475 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -23.789 -16.498 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.794 -16.306 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -25.933 -17.769 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -26.884 -16.782 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.194 -16.649 -5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.129 -15.293 -5.594 1.00 0.00 H new ATOM 449 N GLY A 28 -21.348 -13.035 -6.537 1.00 0.00 N ATOM 450 CA GLY A 28 -21.074 -12.744 -5.142 1.00 0.00 C ATOM 451 C GLY A 28 -19.771 -13.356 -4.667 1.00 0.00 C ATOM 452 O GLY A 28 -19.322 -13.089 -3.552 1.00 0.00 O ATOM 0 H GLY A 28 -21.038 -12.318 -7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.038 -11.664 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.893 -13.119 -4.528 1.00 0.00 H new ATOM 456 N ASP A 29 -19.163 -14.180 -5.513 1.00 0.00 N ATOM 457 CA ASP A 29 -17.904 -14.833 -5.174 1.00 0.00 C ATOM 458 C ASP A 29 -16.716 -13.986 -5.616 1.00 0.00 C ATOM 459 O ASP A 29 -16.627 -13.582 -6.776 1.00 0.00 O ATOM 460 CB ASP A 29 -17.831 -16.216 -5.824 1.00 0.00 C ATOM 461 CG ASP A 29 -16.827 -17.124 -5.142 1.00 0.00 C ATOM 462 OD1 ASP A 29 -16.892 -17.255 -3.901 1.00 0.00 O ATOM 463 OD2 ASP A 29 -15.976 -17.704 -5.848 1.00 0.00 O ATOM 0 H ASP A 29 -19.522 -14.412 -6.439 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.862 -14.947 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.816 -16.681 -5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.563 -16.107 -6.875 1.00 0.00 H new ATOM 468 N ILE A 30 -15.807 -13.719 -4.685 1.00 0.00 N ATOM 469 CA ILE A 30 -14.624 -12.919 -4.980 1.00 0.00 C ATOM 470 C ILE A 30 -13.412 -13.806 -5.244 1.00 0.00 C ATOM 471 O ILE A 30 -13.171 -14.777 -4.526 1.00 0.00 O ATOM 472 CB ILE A 30 -14.296 -11.953 -3.826 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.481 -11.022 -3.559 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.046 -11.149 -4.148 1.00 0.00 C ATOM 475 CD1 ILE A 30 -16.500 -11.600 -2.603 1.00 0.00 C ATOM 0 H ILE A 30 -15.866 -14.045 -3.720 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.850 -12.340 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.107 -12.537 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.109 -10.080 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -15.972 -10.791 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.827 -10.471 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.205 -11.827 -4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.209 -10.572 -5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -17.311 -10.886 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -16.900 -12.527 -3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -16.024 -11.805 -1.644 1.00 0.00 H new ATOM 487 N LEU A 31 -12.652 -13.466 -6.279 1.00 0.00 N ATOM 488 CA LEU A 31 -11.462 -14.231 -6.638 1.00 0.00 C ATOM 489 C LEU A 31 -10.235 -13.328 -6.707 1.00 0.00 C ATOM 490 O LEU A 31 -10.345 -12.104 -6.625 1.00 0.00 O ATOM 491 CB LEU A 31 -11.670 -14.931 -7.982 1.00 0.00 C ATOM 492 CG LEU A 31 -13.071 -15.486 -8.241 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.090 -16.314 -9.517 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.542 -16.317 -7.057 1.00 0.00 C ATOM 0 H LEU A 31 -12.838 -12.666 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.295 -14.982 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.428 -14.226 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.957 -15.752 -8.055 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.756 -14.647 -8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.095 -16.701 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.796 -15.689 -10.360 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.393 -17.146 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.541 -16.704 -7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.855 -17.149 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.568 -15.694 -6.163 1.00 0.00 H new ATOM 506 N THR A 32 -9.064 -13.940 -6.859 1.00 0.00 N ATOM 507 CA THR A 32 -7.816 -13.192 -6.939 1.00 0.00 C ATOM 508 C THR A 32 -7.469 -12.855 -8.385 1.00 0.00 C ATOM 509 O THR A 32 -7.442 -13.733 -9.248 1.00 0.00 O ATOM 510 CB THR A 32 -6.649 -13.978 -6.313 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.106 -14.703 -5.166 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.519 -13.042 -5.912 1.00 0.00 C ATOM 0 H THR A 32 -8.955 -14.952 -6.929 1.00 0.00 H new ATOM 0 HA THR A 32 -7.964 -12.269 -6.379 1.00 0.00 H new ATOM 0 HB THR A 32 -6.271 -14.679 -7.058 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.358 -15.201 -4.775 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.706 -13.620 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.154 -12.514 -6.793 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.886 -12.320 -5.183 1.00 0.00 H new ATOM 520 N LEU A 33 -7.205 -11.579 -8.643 1.00 0.00 N ATOM 521 CA LEU A 33 -6.858 -11.126 -9.986 1.00 0.00 C ATOM 522 C LEU A 33 -5.489 -11.653 -10.402 1.00 0.00 C ATOM 523 O LEU A 33 -4.518 -11.551 -9.651 1.00 0.00 O ATOM 524 CB LEU A 33 -6.870 -9.597 -10.048 1.00 0.00 C ATOM 525 CG LEU A 33 -7.138 -8.984 -11.423 1.00 0.00 C ATOM 526 CD1 LEU A 33 -6.022 -9.340 -12.393 1.00 0.00 C ATOM 527 CD2 LEU A 33 -8.484 -9.448 -11.961 1.00 0.00 C ATOM 0 H LEU A 33 -7.224 -10.840 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.603 -11.518 -10.679 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.628 -9.231 -9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.908 -9.231 -9.690 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.166 -7.900 -11.317 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.230 -8.895 -13.366 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.075 -8.957 -12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.961 -10.423 -12.495 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.658 -9.002 -12.940 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.485 -10.534 -12.052 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.275 -9.141 -11.277 1.00 0.00 H new ATOM 539 N LEU A 34 -5.417 -12.214 -11.604 1.00 0.00 N ATOM 540 CA LEU A 34 -4.165 -12.755 -12.122 1.00 0.00 C ATOM 541 C LEU A 34 -3.776 -12.072 -13.429 1.00 0.00 C ATOM 542 O LEU A 34 -2.645 -11.617 -13.590 1.00 0.00 O ATOM 543 CB LEU A 34 -4.290 -14.264 -12.339 1.00 0.00 C ATOM 544 CG LEU A 34 -3.818 -15.150 -11.186 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.697 -14.947 -9.962 1.00 0.00 C ATOM 546 CD2 LEU A 34 -3.813 -16.613 -11.605 1.00 0.00 C ATOM 0 H LEU A 34 -6.211 -12.306 -12.238 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.383 -12.563 -11.387 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.335 -14.496 -12.544 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.723 -14.531 -13.231 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.799 -14.864 -10.927 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.346 -15.586 -9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.649 -13.904 -9.649 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.727 -15.205 -10.207 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.474 -17.229 -10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.821 -16.913 -11.892 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.140 -16.747 -12.452 1.00 0.00 H new ATOM 558 N ASN A 35 -4.723 -12.002 -14.359 1.00 0.00 N ATOM 559 CA ASN A 35 -4.480 -11.373 -15.652 1.00 0.00 C ATOM 560 C ASN A 35 -5.597 -10.393 -15.998 1.00 0.00 C ATOM 561 O ASN A 35 -6.779 -10.721 -15.894 1.00 0.00 O ATOM 562 CB ASN A 35 -4.361 -12.436 -16.746 1.00 0.00 C ATOM 563 CG ASN A 35 -3.623 -11.927 -17.968 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.305 -11.130 -18.782 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.453 -12.246 -18.179 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.666 -12.373 -14.241 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.542 -10.821 -15.589 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.841 -13.307 -16.347 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.358 -12.766 -17.038 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.967 -12.861 -17.527 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.970 -11.895 -19.006 1.00 0.00 H new ATOM 572 N SER A 36 -5.214 -9.190 -16.412 1.00 0.00 N ATOM 573 CA SER A 36 -6.182 -8.160 -16.771 1.00 0.00 C ATOM 574 C SER A 36 -5.756 -7.433 -18.043 1.00 0.00 C ATOM 575 O SER A 36 -6.139 -6.286 -18.276 1.00 0.00 O ATOM 576 CB SER A 36 -6.342 -7.158 -15.627 1.00 0.00 C ATOM 577 OG SER A 36 -5.111 -6.949 -14.957 1.00 0.00 O ATOM 0 H SER A 36 -4.240 -8.904 -16.507 1.00 0.00 H new ATOM 0 HA SER A 36 -7.140 -8.646 -16.955 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.712 -6.210 -16.018 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.087 -7.524 -14.920 1.00 0.00 H new ATOM 0 HG SER A 36 -5.239 -6.303 -14.231 1.00 0.00 H new ATOM 583 N THR A 37 -4.959 -8.110 -18.865 1.00 0.00 N ATOM 584 CA THR A 37 -4.479 -7.530 -20.113 1.00 0.00 C ATOM 585 C THR A 37 -5.458 -7.788 -21.252 1.00 0.00 C ATOM 586 O THR A 37 -5.151 -7.534 -22.416 1.00 0.00 O ATOM 587 CB THR A 37 -3.098 -8.093 -20.499 1.00 0.00 C ATOM 588 OG1 THR A 37 -2.310 -8.306 -19.323 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.370 -7.143 -21.439 1.00 0.00 C ATOM 0 H THR A 37 -4.633 -9.060 -18.688 1.00 0.00 H new ATOM 0 HA THR A 37 -4.392 -6.456 -19.950 1.00 0.00 H new ATOM 0 HB THR A 37 -3.248 -9.043 -21.012 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.434 -8.666 -19.577 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.397 -7.562 -21.698 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.959 -7.006 -22.346 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.231 -6.180 -20.948 1.00 0.00 H new ATOM 597 N ASN A 38 -6.638 -8.295 -20.909 1.00 0.00 N ATOM 598 CA ASN A 38 -7.662 -8.588 -21.905 1.00 0.00 C ATOM 599 C ASN A 38 -9.047 -8.207 -21.389 1.00 0.00 C ATOM 600 O ASN A 38 -9.690 -8.977 -20.676 1.00 0.00 O ATOM 601 CB ASN A 38 -7.635 -10.073 -22.274 1.00 0.00 C ATOM 602 CG ASN A 38 -8.713 -10.440 -23.274 1.00 0.00 C ATOM 603 OD1 ASN A 38 -9.372 -11.472 -23.143 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.898 -9.595 -24.282 1.00 0.00 N ATOM 0 H ASN A 38 -6.908 -8.511 -19.950 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.448 -7.995 -22.794 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.658 -10.324 -22.688 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.762 -10.671 -21.372 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.609 -9.790 -24.987 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.329 -8.751 -24.351 1.00 0.00 H new ATOM 611 N LYS A 39 -9.500 -7.013 -21.756 1.00 0.00 N ATOM 612 CA LYS A 39 -10.808 -6.528 -21.333 1.00 0.00 C ATOM 613 C LYS A 39 -11.887 -7.574 -21.595 1.00 0.00 C ATOM 614 O LYS A 39 -12.885 -7.643 -20.878 1.00 0.00 O ATOM 615 CB LYS A 39 -11.154 -5.229 -22.065 1.00 0.00 C ATOM 616 CG LYS A 39 -10.994 -5.319 -23.573 1.00 0.00 C ATOM 617 CD LYS A 39 -11.305 -3.993 -24.246 1.00 0.00 C ATOM 618 CE LYS A 39 -10.963 -4.027 -25.728 1.00 0.00 C ATOM 619 NZ LYS A 39 -11.260 -2.729 -26.396 1.00 0.00 N ATOM 0 H LYS A 39 -8.980 -6.363 -22.346 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.767 -6.334 -20.261 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.183 -4.954 -21.833 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.518 -4.429 -21.688 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.975 -5.621 -23.814 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.656 -6.091 -23.965 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.362 -3.759 -24.121 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.742 -3.196 -23.760 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.907 -4.266 -25.852 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.528 -4.823 -26.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.013 -2.793 -27.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.273 -2.513 -26.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.701 -1.973 -25.950 1.00 0.00 H new ATOM 633 N ASP A 40 -11.679 -8.386 -22.625 1.00 0.00 N ATOM 634 CA ASP A 40 -12.632 -9.431 -22.980 1.00 0.00 C ATOM 635 C ASP A 40 -12.720 -10.484 -21.879 1.00 0.00 C ATOM 636 O ASP A 40 -13.780 -10.694 -21.291 1.00 0.00 O ATOM 637 CB ASP A 40 -12.232 -10.089 -24.301 1.00 0.00 C ATOM 638 CG ASP A 40 -11.976 -9.075 -25.399 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.695 -8.055 -25.444 1.00 0.00 O ATOM 640 OD2 ASP A 40 -11.057 -9.302 -26.213 1.00 0.00 O ATOM 0 H ASP A 40 -10.859 -8.341 -23.229 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.613 -8.969 -23.096 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.335 -10.689 -24.148 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.021 -10.771 -24.617 1.00 0.00 H new ATOM 645 N TRP A 41 -11.599 -11.142 -21.607 1.00 0.00 N ATOM 646 CA TRP A 41 -11.549 -12.174 -20.578 1.00 0.00 C ATOM 647 C TRP A 41 -10.459 -11.871 -19.555 1.00 0.00 C ATOM 648 O TRP A 41 -9.373 -11.412 -19.910 1.00 0.00 O ATOM 649 CB TRP A 41 -11.305 -13.544 -21.211 1.00 0.00 C ATOM 650 CG TRP A 41 -12.184 -13.817 -22.394 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.018 -13.345 -23.665 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.366 -14.624 -22.415 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.026 -13.810 -24.474 1.00 0.00 N ATOM 654 CE2 TRP A 41 -13.866 -14.597 -23.732 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.051 -15.368 -21.450 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.018 -15.284 -24.105 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.194 -16.049 -21.822 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.668 -16.005 -23.139 1.00 0.00 C ATOM 0 H TRP A 41 -10.713 -10.979 -22.085 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.510 -12.186 -20.064 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.262 -13.613 -21.519 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.468 -14.317 -20.460 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.213 -12.701 -23.987 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.132 -13.603 -25.467 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.693 -15.410 -20.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.386 -15.250 -25.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.732 -16.626 -21.084 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.564 -16.550 -23.398 1.00 0.00 H new ATOM 669 N TRP A 42 -10.755 -12.130 -18.287 1.00 0.00 N ATOM 670 CA TRP A 42 -9.799 -11.884 -17.214 1.00 0.00 C ATOM 671 C TRP A 42 -9.440 -13.182 -16.498 1.00 0.00 C ATOM 672 O TRP A 42 -10.283 -14.062 -16.324 1.00 0.00 O ATOM 673 CB TRP A 42 -10.370 -10.877 -16.214 1.00 0.00 C ATOM 674 CG TRP A 42 -10.410 -9.475 -16.741 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.699 -8.975 -17.795 1.00 0.00 C ATOM 676 CD2 TRP A 42 -11.201 -8.393 -16.238 1.00 0.00 C ATOM 677 NE1 TRP A 42 -10.001 -7.646 -17.977 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.920 -7.266 -17.036 1.00 0.00 C ATOM 679 CE3 TRP A 42 -12.121 -8.266 -15.194 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.526 -6.031 -16.818 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.721 -7.040 -14.979 1.00 0.00 C ATOM 682 CH2 TRP A 42 -12.422 -5.936 -15.788 1.00 0.00 C ATOM 0 H TRP A 42 -11.649 -12.510 -17.977 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.892 -11.471 -17.656 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.379 -11.183 -15.937 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.770 -10.899 -15.304 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.002 -9.540 -18.397 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.605 -7.041 -18.696 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.359 -9.112 -14.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.297 -5.178 -17.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.432 -6.931 -14.174 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.908 -4.991 -15.595 1.00 0.00 H new ATOM 693 N LYS A 43 -8.182 -13.295 -16.083 1.00 0.00 N ATOM 694 CA LYS A 43 -7.711 -14.484 -15.384 1.00 0.00 C ATOM 695 C LYS A 43 -7.785 -14.292 -13.872 1.00 0.00 C ATOM 696 O LYS A 43 -7.204 -13.354 -13.326 1.00 0.00 O ATOM 697 CB LYS A 43 -6.274 -14.808 -15.797 1.00 0.00 C ATOM 698 CG LYS A 43 -5.876 -16.251 -15.538 1.00 0.00 C ATOM 699 CD LYS A 43 -4.399 -16.480 -15.809 1.00 0.00 C ATOM 700 CE LYS A 43 -3.869 -17.676 -15.033 1.00 0.00 C ATOM 701 NZ LYS A 43 -4.020 -18.945 -15.797 1.00 0.00 N ATOM 0 H LYS A 43 -7.471 -12.577 -16.219 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.358 -15.317 -15.659 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.153 -14.592 -16.858 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.593 -14.150 -15.258 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.102 -16.511 -14.504 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.469 -16.912 -16.170 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.244 -16.640 -16.876 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.835 -15.588 -15.535 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.817 -17.518 -14.796 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.400 -17.758 -14.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.647 -19.736 -15.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.026 -19.110 -16.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.492 -18.877 -16.691 1.00 0.00 H new ATOM 715 N VAL A 44 -8.502 -15.188 -13.201 1.00 0.00 N ATOM 716 CA VAL A 44 -8.649 -15.118 -11.752 1.00 0.00 C ATOM 717 C VAL A 44 -8.217 -16.423 -11.092 1.00 0.00 C ATOM 718 O VAL A 44 -8.010 -17.431 -11.766 1.00 0.00 O ATOM 719 CB VAL A 44 -10.104 -14.809 -11.350 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.496 -13.410 -11.797 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.049 -15.849 -11.933 1.00 0.00 C ATOM 0 H VAL A 44 -8.990 -15.970 -13.637 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.005 -14.309 -11.407 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.180 -14.851 -10.263 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.527 -13.210 -11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.837 -12.680 -11.327 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.406 -13.336 -12.881 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.072 -15.616 -11.639 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.973 -15.841 -13.020 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.780 -16.836 -11.558 1.00 0.00 H new ATOM 731 N GLU A 45 -8.084 -16.396 -9.770 1.00 0.00 N ATOM 732 CA GLU A 45 -7.677 -17.577 -9.019 1.00 0.00 C ATOM 733 C GLU A 45 -8.645 -17.854 -7.872 1.00 0.00 C ATOM 734 O GLU A 45 -9.127 -16.931 -7.216 1.00 0.00 O ATOM 735 CB GLU A 45 -6.259 -17.397 -8.472 1.00 0.00 C ATOM 736 CG GLU A 45 -5.792 -18.550 -7.599 1.00 0.00 C ATOM 737 CD GLU A 45 -4.378 -18.359 -7.086 1.00 0.00 C ATOM 738 OE1 GLU A 45 -3.435 -18.465 -7.898 1.00 0.00 O ATOM 739 OE2 GLU A 45 -4.215 -18.103 -5.875 1.00 0.00 O ATOM 0 H GLU A 45 -8.252 -15.569 -9.197 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.692 -18.430 -9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.568 -17.282 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.216 -16.474 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.470 -18.657 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.845 -19.477 -8.170 1.00 0.00 H new ATOM 746 N VAL A 46 -8.925 -19.132 -7.638 1.00 0.00 N ATOM 747 CA VAL A 46 -9.834 -19.532 -6.571 1.00 0.00 C ATOM 748 C VAL A 46 -9.271 -20.708 -5.780 1.00 0.00 C ATOM 749 O VAL A 46 -8.198 -21.224 -6.093 1.00 0.00 O ATOM 750 CB VAL A 46 -11.217 -19.918 -7.128 1.00 0.00 C ATOM 751 CG1 VAL A 46 -11.775 -18.800 -7.995 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.132 -21.220 -7.910 1.00 0.00 C ATOM 0 H VAL A 46 -8.535 -19.908 -8.173 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.943 -18.672 -5.910 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.898 -20.069 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.753 -19.091 -8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.875 -17.893 -7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.098 -18.614 -8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.118 -21.477 -8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.437 -21.101 -8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.780 -22.016 -7.254 1.00 0.00 H new ATOM 940 N GLN A 58 -6.585 -21.657 -10.744 1.00 0.00 N ATOM 941 CA GLN A 58 -6.794 -20.380 -11.417 1.00 0.00 C ATOM 942 C GLN A 58 -7.027 -20.585 -12.911 1.00 0.00 C ATOM 943 O GLN A 58 -6.454 -21.486 -13.521 1.00 0.00 O ATOM 944 CB GLN A 58 -5.591 -19.461 -11.198 1.00 0.00 C ATOM 945 CG GLN A 58 -4.294 -20.011 -11.769 1.00 0.00 C ATOM 946 CD GLN A 58 -3.626 -21.009 -10.844 1.00 0.00 C ATOM 947 OE1 GLN A 58 -3.512 -22.192 -11.167 1.00 0.00 O ATOM 948 NE2 GLN A 58 -3.179 -20.537 -9.686 1.00 0.00 N ATOM 0 HA GLN A 58 -7.681 -19.913 -10.989 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.797 -18.492 -11.653 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.464 -19.291 -10.129 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.497 -20.489 -12.727 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.608 -19.186 -11.963 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.295 -19.549 -9.459 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.720 -21.162 -9.024 1.00 0.00 H new ATOM 957 N GLY A 59 -7.873 -19.741 -13.494 1.00 0.00 N ATOM 958 CA GLY A 59 -8.168 -19.847 -14.911 1.00 0.00 C ATOM 959 C GLY A 59 -8.659 -18.539 -15.500 1.00 0.00 C ATOM 960 O GLY A 59 -8.440 -17.471 -14.928 1.00 0.00 O ATOM 0 H GLY A 59 -8.359 -18.986 -13.010 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.272 -20.168 -15.443 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.923 -20.618 -15.065 1.00 0.00 H new ATOM 964 N PHE A 60 -9.324 -18.621 -16.647 1.00 0.00 N ATOM 965 CA PHE A 60 -9.845 -17.435 -17.316 1.00 0.00 C ATOM 966 C PHE A 60 -11.360 -17.343 -17.159 1.00 0.00 C ATOM 967 O PHE A 60 -12.031 -18.345 -16.909 1.00 0.00 O ATOM 968 CB PHE A 60 -9.475 -17.456 -18.801 1.00 0.00 C ATOM 969 CG PHE A 60 -8.015 -17.217 -19.058 1.00 0.00 C ATOM 970 CD1 PHE A 60 -7.105 -18.259 -18.985 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.552 -15.949 -19.372 1.00 0.00 C ATOM 972 CE1 PHE A 60 -5.760 -18.042 -19.222 1.00 0.00 C ATOM 973 CE2 PHE A 60 -6.209 -15.726 -19.610 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.312 -16.774 -19.534 1.00 0.00 C ATOM 0 H PHE A 60 -9.515 -19.497 -17.133 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.395 -16.559 -16.849 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.757 -18.420 -19.224 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.057 -16.696 -19.323 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.450 -19.253 -18.740 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.249 -15.126 -19.431 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.061 -18.863 -19.163 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.861 -14.733 -19.855 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.262 -16.602 -19.718 1.00 0.00 H new ATOM 984 N VAL A 61 -11.892 -16.135 -17.308 1.00 0.00 N ATOM 985 CA VAL A 61 -13.328 -15.911 -17.184 1.00 0.00 C ATOM 986 C VAL A 61 -13.754 -14.652 -17.930 1.00 0.00 C ATOM 987 O VAL A 61 -12.955 -13.751 -18.186 1.00 0.00 O ATOM 988 CB VAL A 61 -13.751 -15.788 -15.708 1.00 0.00 C ATOM 989 CG1 VAL A 61 -13.920 -17.164 -15.084 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.737 -14.962 -14.931 1.00 0.00 C ATOM 0 H VAL A 61 -11.351 -15.296 -17.515 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.823 -16.776 -17.625 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.712 -15.276 -15.665 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.219 -17.056 -14.041 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.687 -17.718 -15.626 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.976 -17.706 -15.137 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.051 -14.885 -13.890 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.761 -15.444 -14.981 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.671 -13.964 -15.365 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.045 -14.586 -18.289 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.608 -13.441 -19.010 1.00 0.00 C ATOM 1002 C PRO A 62 -15.683 -12.189 -18.143 1.00 0.00 C ATOM 1003 O PRO A 62 -16.304 -12.195 -17.081 1.00 0.00 O ATOM 1004 CB PRO A 62 -17.014 -13.915 -19.387 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.351 -14.947 -18.367 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.054 -15.623 -18.017 1.00 0.00 C ATOM 0 HA PRO A 62 -14.995 -13.158 -19.866 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.728 -13.092 -19.368 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.035 -14.332 -20.394 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.804 -14.492 -17.486 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.071 -15.664 -18.761 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.034 -15.939 -16.974 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.889 -16.514 -18.623 1.00 0.00 H new ATOM 1014 N ALA A 63 -15.047 -11.117 -18.604 1.00 0.00 N ATOM 1015 CA ALA A 63 -15.044 -9.857 -17.871 1.00 0.00 C ATOM 1016 C ALA A 63 -16.457 -9.300 -17.730 1.00 0.00 C ATOM 1017 O ALA A 63 -16.710 -8.425 -16.902 1.00 0.00 O ATOM 1018 CB ALA A 63 -14.143 -8.845 -18.563 1.00 0.00 C ATOM 0 H ALA A 63 -14.527 -11.096 -19.481 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.655 -10.049 -16.871 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.151 -7.909 -18.004 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.125 -9.233 -18.606 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.506 -8.666 -19.575 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.374 -9.813 -18.544 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.762 -9.368 -18.509 1.00 0.00 C ATOM 1026 C ALA A 64 -19.508 -9.989 -17.333 1.00 0.00 C ATOM 1027 O ALA A 64 -20.672 -9.673 -17.087 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.458 -9.709 -19.818 1.00 0.00 C ATOM 0 H ALA A 64 -17.181 -10.537 -19.236 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.768 -8.286 -18.378 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.494 -9.371 -19.778 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.946 -9.213 -20.642 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.434 -10.788 -19.973 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.830 -10.873 -16.610 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.431 -11.541 -15.461 1.00 0.00 C ATOM 1036 C TYR A 65 -18.609 -11.298 -14.198 1.00 0.00 C ATOM 1037 O TYR A 65 -18.667 -12.076 -13.246 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.551 -13.043 -15.723 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.552 -13.392 -16.801 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.323 -13.046 -18.127 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.726 -14.068 -16.493 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.235 -13.362 -19.115 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.643 -14.390 -17.475 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.393 -14.034 -18.784 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.304 -14.352 -19.766 1.00 0.00 O ATOM 0 H TYR A 65 -17.865 -11.144 -16.799 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.427 -11.124 -15.311 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.573 -13.433 -16.007 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.837 -13.543 -14.798 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.416 -12.521 -18.390 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -21.925 -14.346 -15.469 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -21.042 -13.084 -20.141 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.550 -14.917 -17.219 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.064 -14.825 -19.367 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.844 -10.210 -14.199 1.00 0.00 N ATOM 1056 CA VAL A 66 -17.011 -9.861 -13.054 1.00 0.00 C ATOM 1057 C VAL A 66 -16.859 -8.350 -12.926 1.00 0.00 C ATOM 1058 O VAL A 66 -17.149 -7.603 -13.861 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.614 -10.500 -13.161 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.727 -12.007 -13.333 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.833 -9.881 -14.311 1.00 0.00 C ATOM 0 H VAL A 66 -17.784 -9.556 -14.979 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.512 -10.249 -12.167 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.072 -10.304 -12.236 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.730 -12.441 -13.407 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.245 -12.433 -12.474 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.287 -12.229 -14.242 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.848 -10.344 -14.373 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.370 -10.045 -15.245 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.721 -8.810 -14.140 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.401 -7.903 -11.761 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.208 -6.480 -11.509 1.00 0.00 C ATOM 1073 C LYS A 67 -15.286 -6.260 -10.314 1.00 0.00 C ATOM 1074 O LYS A 67 -15.564 -6.724 -9.208 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.555 -5.798 -11.260 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.487 -4.281 -11.311 1.00 0.00 C ATOM 1077 CD LYS A 67 -18.824 -3.651 -10.961 1.00 0.00 C ATOM 1078 CE LYS A 67 -18.677 -2.171 -10.642 1.00 0.00 C ATOM 1079 NZ LYS A 67 -18.202 -1.948 -9.248 1.00 0.00 N ATOM 0 H LYS A 67 -16.156 -8.507 -10.976 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.743 -6.040 -12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.272 -6.146 -12.003 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.933 -6.104 -10.284 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.724 -3.927 -10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.184 -3.963 -12.308 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.516 -3.778 -11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -19.258 -4.167 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.975 -1.717 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -19.636 -1.672 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.115 -0.927 -9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.884 -2.359 -8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.275 -2.402 -9.120 1.00 0.00 H new ATOM 1093 N LYS A 68 -14.188 -5.548 -10.544 1.00 0.00 N ATOM 1094 CA LYS A 68 -13.225 -5.263 -9.486 1.00 0.00 C ATOM 1095 C LYS A 68 -13.894 -4.541 -8.321 1.00 0.00 C ATOM 1096 O LYS A 68 -14.721 -3.650 -8.522 1.00 0.00 O ATOM 1097 CB LYS A 68 -12.073 -4.416 -10.031 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.888 -4.320 -9.086 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.665 -3.747 -9.782 1.00 0.00 C ATOM 1100 CE LYS A 68 -9.635 -2.229 -9.695 1.00 0.00 C ATOM 1101 NZ LYS A 68 -10.367 -1.594 -10.825 1.00 0.00 N ATOM 0 H LYS A 68 -13.943 -5.158 -11.454 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.830 -6.212 -9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.738 -4.839 -10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.440 -3.412 -10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.151 -3.692 -8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.654 -5.309 -8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.762 -4.156 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.664 -4.053 -10.828 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.077 -1.911 -8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.600 -1.886 -9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.749 -0.901 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.650 -2.324 -11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.214 -1.112 -10.463 1.00 0.00 H new ATOM 1115 N LEU A 69 -13.532 -4.929 -7.104 1.00 0.00 N ATOM 1116 CA LEU A 69 -14.097 -4.317 -5.906 1.00 0.00 C ATOM 1117 C LEU A 69 -13.078 -3.405 -5.229 1.00 0.00 C ATOM 1118 O LEU A 69 -13.401 -2.287 -4.827 1.00 0.00 O ATOM 1119 CB LEU A 69 -14.561 -5.397 -4.928 1.00 0.00 C ATOM 1120 CG LEU A 69 -13.501 -6.410 -4.493 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -12.885 -6.000 -3.164 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -14.103 -7.804 -4.397 1.00 0.00 C ATOM 0 H LEU A 69 -12.850 -5.665 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.955 -3.714 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.954 -4.907 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.388 -5.940 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.712 -6.428 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.133 -6.732 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.417 -5.021 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.663 -5.953 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.334 -8.512 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.911 -7.802 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.495 -8.099 -5.370 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.847 -3.889 -5.107 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.780 -3.117 -4.482 1.00 0.00 C ATOM 1136 C ASP A 70 -10.444 -1.883 -5.312 1.00 0.00 C ATOM 1137 O ASP A 70 -9.436 -1.216 -5.072 1.00 0.00 O ATOM 1138 CB ASP A 70 -9.531 -3.983 -4.305 1.00 0.00 C ATOM 1139 CG ASP A 70 -9.639 -4.917 -3.115 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -9.904 -4.426 -1.998 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -9.456 -6.138 -3.301 1.00 0.00 O ATOM 0 H ASP A 70 -11.563 -4.813 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.128 -2.790 -3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.367 -4.569 -5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.660 -3.339 -4.180 1.00 0.00 H new