USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 523 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 14 THR OG1 : rot 86:sc= 0.195 USER MOD Set 1.2: A 17 SER OG : rot -160:sc= -0.084 USER MOD Single : A 16 THR OG1 : rot -82:sc= -0.125 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -4:sc= 0.434! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 170:sc= -0.307 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 130:sc= -0.157 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.627 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -157:sc= -1.66! USER MOD Single : A 91 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.71) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0586 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 8.993 2.788 -6.252 1.00 0.00 N ATOM 109 CA LEU A 8 8.202 1.526 -6.205 1.00 0.00 C ATOM 110 C LEU A 8 9.100 0.298 -6.037 1.00 0.00 C ATOM 111 O LEU A 8 9.760 -0.118 -6.967 1.00 0.00 O ATOM 112 CB LEU A 8 7.444 1.402 -7.531 1.00 0.00 C ATOM 113 CG LEU A 8 6.682 2.702 -7.788 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.332 3.442 -8.959 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.231 2.373 -8.136 1.00 0.00 C ATOM 0 HA LEU A 8 7.526 1.565 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.140 1.205 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.752 0.561 -7.493 1.00 0.00 H new ATOM 0 HG LEU A 8 6.710 3.330 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.793 4.370 -9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.370 3.668 -8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.297 2.815 -9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.683 3.297 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.204 1.750 -9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.770 1.837 -7.306 1.00 0.00 H new ATOM 127 N GLU A 9 9.099 -0.265 -4.850 1.00 0.00 N ATOM 128 CA GLU A 9 9.947 -1.465 -4.606 1.00 0.00 C ATOM 129 C GLU A 9 9.294 -2.406 -3.582 1.00 0.00 C ATOM 130 O GLU A 9 8.327 -2.048 -2.928 1.00 0.00 O ATOM 131 CB GLU A 9 11.302 -0.998 -4.030 1.00 0.00 C ATOM 132 CG GLU A 9 12.084 -0.210 -5.093 1.00 0.00 C ATOM 133 CD GLU A 9 11.681 1.268 -5.039 1.00 0.00 C ATOM 134 OE1 GLU A 9 11.805 1.825 -3.960 1.00 0.00 O ATOM 135 OE2 GLU A 9 11.275 1.757 -6.081 1.00 0.00 O ATOM 0 H GLU A 9 8.552 0.054 -4.051 1.00 0.00 H new ATOM 0 HA GLU A 9 10.073 -1.998 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.137 -0.374 -3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.884 -1.860 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.155 -0.312 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.881 -0.617 -6.084 1.00 0.00 H new ATOM 142 N VAL A 10 9.840 -3.600 -3.471 1.00 0.00 N ATOM 143 CA VAL A 10 9.283 -4.588 -2.503 1.00 0.00 C ATOM 144 C VAL A 10 10.139 -4.612 -1.240 1.00 0.00 C ATOM 145 O VAL A 10 11.351 -4.670 -1.321 1.00 0.00 O ATOM 146 CB VAL A 10 9.327 -5.984 -3.144 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.897 -7.027 -2.105 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.362 -6.026 -4.329 1.00 0.00 C ATOM 0 H VAL A 10 10.643 -3.925 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 10 8.260 -4.310 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 10 10.339 -6.200 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.926 -8.020 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.576 -6.993 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.883 -6.810 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.390 -7.015 -4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.350 -5.816 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.656 -5.277 -5.065 1.00 0.00 H new ATOM 158 N VAL A 11 9.511 -4.567 -0.096 1.00 0.00 N ATOM 159 CA VAL A 11 10.306 -4.587 1.153 1.00 0.00 C ATOM 160 C VAL A 11 10.569 -6.011 1.603 1.00 0.00 C ATOM 161 O VAL A 11 11.619 -6.317 2.134 1.00 0.00 O ATOM 162 CB VAL A 11 9.523 -3.849 2.252 1.00 0.00 C ATOM 163 CG1 VAL A 11 10.093 -2.436 2.422 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.050 -3.759 1.855 1.00 0.00 C ATOM 0 H VAL A 11 8.499 -4.518 0.022 1.00 0.00 H new ATOM 0 HA VAL A 11 11.263 -4.098 0.969 1.00 0.00 H new ATOM 0 HB VAL A 11 9.613 -4.394 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.539 -1.911 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.144 -2.499 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.002 -1.891 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.495 -3.236 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.959 -3.214 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.644 -4.763 1.732 1.00 0.00 H new ATOM 174 N ALA A 12 9.610 -6.854 1.385 1.00 0.00 N ATOM 175 CA ALA A 12 9.777 -8.274 1.792 1.00 0.00 C ATOM 176 C ALA A 12 8.495 -9.064 1.569 1.00 0.00 C ATOM 177 O ALA A 12 7.450 -8.500 1.263 1.00 0.00 O ATOM 178 CB ALA A 12 10.125 -8.327 3.292 1.00 0.00 C ATOM 0 H ALA A 12 8.719 -6.626 0.944 1.00 0.00 H new ATOM 0 HA ALA A 12 10.572 -8.712 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.250 -9.365 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.052 -7.782 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.320 -7.871 3.869 1.00 0.00 H new ATOM 184 N ALA A 13 8.605 -10.363 1.726 1.00 0.00 N ATOM 185 CA ALA A 13 7.424 -11.242 1.535 1.00 0.00 C ATOM 186 C ALA A 13 7.140 -12.040 2.804 1.00 0.00 C ATOM 187 O ALA A 13 7.948 -12.085 3.710 1.00 0.00 O ATOM 188 CB ALA A 13 7.733 -12.224 0.393 1.00 0.00 C ATOM 0 H ALA A 13 9.467 -10.846 1.979 1.00 0.00 H new ATOM 0 HA ALA A 13 6.553 -10.630 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.877 -12.880 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.936 -11.666 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.606 -12.822 0.654 1.00 0.00 H new ATOM 194 N THR A 14 5.993 -12.651 2.840 1.00 0.00 N ATOM 195 CA THR A 14 5.621 -13.454 4.028 1.00 0.00 C ATOM 196 C THR A 14 4.677 -14.581 3.600 1.00 0.00 C ATOM 197 O THR A 14 4.087 -14.517 2.540 1.00 0.00 O ATOM 198 CB THR A 14 4.902 -12.523 5.020 1.00 0.00 C ATOM 199 OG1 THR A 14 4.607 -11.357 4.283 1.00 0.00 O ATOM 200 CG2 THR A 14 5.866 -12.039 6.123 1.00 0.00 C ATOM 0 H THR A 14 5.297 -12.628 2.095 1.00 0.00 H new ATOM 0 HA THR A 14 6.505 -13.891 4.492 1.00 0.00 H new ATOM 0 HB THR A 14 4.048 -13.041 5.457 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.758 -11.476 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.332 -11.383 6.810 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.254 -12.898 6.670 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.693 -11.493 5.669 1.00 0.00 H new ATOM 208 N PRO A 15 4.537 -15.603 4.428 1.00 0.00 N ATOM 209 CA PRO A 15 3.662 -16.711 4.095 1.00 0.00 C ATOM 210 C PRO A 15 2.327 -16.214 3.561 1.00 0.00 C ATOM 211 O PRO A 15 1.490 -15.750 4.305 1.00 0.00 O ATOM 212 CB PRO A 15 3.474 -17.476 5.420 1.00 0.00 C ATOM 213 CG PRO A 15 4.534 -16.919 6.420 1.00 0.00 C ATOM 214 CD PRO A 15 5.191 -15.699 5.744 1.00 0.00 C ATOM 0 HA PRO A 15 4.083 -17.342 3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.465 -17.334 5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.610 -18.547 5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.064 -16.632 7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.280 -17.678 6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.038 -14.792 6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.268 -15.835 5.642 1.00 0.00 H new ATOM 222 N THR A 16 2.172 -16.312 2.266 1.00 0.00 N ATOM 223 CA THR A 16 0.910 -15.861 1.619 1.00 0.00 C ATOM 224 C THR A 16 0.634 -14.380 1.878 1.00 0.00 C ATOM 225 O THR A 16 -0.454 -14.012 2.273 1.00 0.00 O ATOM 226 CB THR A 16 -0.255 -16.697 2.171 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.621 -16.091 3.393 1.00 0.00 O ATOM 228 CG2 THR A 16 0.218 -18.109 2.559 1.00 0.00 C ATOM 0 H THR A 16 2.872 -16.688 1.627 1.00 0.00 H new ATOM 0 HA THR A 16 1.011 -15.997 0.542 1.00 0.00 H new ATOM 0 HB THR A 16 -1.048 -16.752 1.425 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.018 -16.396 4.103 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.625 -18.681 2.947 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.624 -18.611 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.990 -18.036 3.325 1.00 0.00 H new ATOM 236 N SER A 17 1.627 -13.559 1.653 1.00 0.00 N ATOM 237 CA SER A 17 1.436 -12.102 1.879 1.00 0.00 C ATOM 238 C SER A 17 2.642 -11.315 1.370 1.00 0.00 C ATOM 239 O SER A 17 3.773 -11.710 1.580 1.00 0.00 O ATOM 240 CB SER A 17 1.271 -11.857 3.386 1.00 0.00 C ATOM 241 OG SER A 17 2.124 -12.814 3.992 1.00 0.00 O ATOM 0 H SER A 17 2.553 -13.834 1.325 1.00 0.00 H new ATOM 0 HA SER A 17 0.551 -11.769 1.337 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.557 -10.841 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.236 -11.991 3.700 1.00 0.00 H new ATOM 0 HG SER A 17 1.854 -12.949 4.924 1.00 0.00 H new ATOM 247 N LEU A 18 2.371 -10.213 0.708 1.00 0.00 N ATOM 248 CA LEU A 18 3.484 -9.373 0.168 1.00 0.00 C ATOM 249 C LEU A 18 3.295 -7.909 0.557 1.00 0.00 C ATOM 250 O LEU A 18 2.178 -7.446 0.682 1.00 0.00 O ATOM 251 CB LEU A 18 3.453 -9.482 -1.367 1.00 0.00 C ATOM 252 CG LEU A 18 4.813 -9.077 -1.935 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.654 -10.329 -2.162 1.00 0.00 C ATOM 254 CD2 LEU A 18 4.608 -8.368 -3.273 1.00 0.00 C ATOM 0 H LEU A 18 1.432 -9.862 0.520 1.00 0.00 H new ATOM 0 HA LEU A 18 4.433 -9.722 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.212 -10.502 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.672 -8.839 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 18 5.319 -8.411 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.626 -10.046 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.794 -10.850 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.145 -10.987 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.575 -8.077 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.107 -9.041 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.995 -7.479 -3.124 1.00 0.00 H new ATOM 266 N LEU A 19 4.398 -7.204 0.748 1.00 0.00 N ATOM 267 CA LEU A 19 4.293 -5.759 1.131 1.00 0.00 C ATOM 268 C LEU A 19 4.957 -4.852 0.091 1.00 0.00 C ATOM 269 O LEU A 19 6.163 -4.889 -0.098 1.00 0.00 O ATOM 270 CB LEU A 19 5.002 -5.560 2.485 1.00 0.00 C ATOM 271 CG LEU A 19 3.960 -5.584 3.611 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.255 -6.938 3.625 1.00 0.00 C ATOM 273 CD2 LEU A 19 4.662 -5.372 4.953 1.00 0.00 C ATOM 0 H LEU A 19 5.348 -7.565 0.656 1.00 0.00 H new ATOM 0 HA LEU A 19 3.238 -5.493 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.741 -6.346 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.539 -4.612 2.491 1.00 0.00 H new ATOM 0 HG LEU A 19 3.229 -4.792 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.515 -6.955 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.759 -7.100 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.987 -7.728 3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.925 -5.388 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.390 -6.167 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.172 -4.409 4.949 1.00 0.00 H new ATOM 285 N ILE A 20 4.145 -4.051 -0.568 1.00 0.00 N ATOM 286 CA ILE A 20 4.688 -3.125 -1.600 1.00 0.00 C ATOM 287 C ILE A 20 4.600 -1.686 -1.114 1.00 0.00 C ATOM 288 O ILE A 20 3.697 -1.333 -0.373 1.00 0.00 O ATOM 289 CB ILE A 20 3.857 -3.278 -2.887 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.395 -2.896 -2.642 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.901 -4.748 -3.308 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.043 -1.670 -3.492 1.00 0.00 C ATOM 0 H ILE A 20 3.135 -4.004 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 20 5.733 -3.369 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 20 4.269 -2.625 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.741 -3.730 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.236 -2.679 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.318 -4.883 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.934 -5.043 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.482 -5.366 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.002 -1.395 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.689 -0.837 -3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.187 -1.905 -4.547 1.00 0.00 H new ATOM 304 N SER A 21 5.542 -0.876 -1.521 1.00 0.00 N ATOM 305 CA SER A 21 5.514 0.542 -1.080 1.00 0.00 C ATOM 306 C SER A 21 5.989 1.470 -2.180 1.00 0.00 C ATOM 307 O SER A 21 6.954 1.178 -2.859 1.00 0.00 O ATOM 308 CB SER A 21 6.445 0.690 0.136 1.00 0.00 C ATOM 309 OG SER A 21 7.327 -0.420 0.036 1.00 0.00 O ATOM 0 H SER A 21 6.318 -1.133 -2.131 1.00 0.00 H new ATOM 0 HA SER A 21 4.489 0.811 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.989 1.634 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.885 0.671 1.071 1.00 0.00 H new ATOM 0 HG SER A 21 7.963 -0.401 0.781 1.00 0.00 H new ATOM 315 N TRP A 22 5.291 2.583 -2.339 1.00 0.00 N ATOM 316 CA TRP A 22 5.688 3.548 -3.394 1.00 0.00 C ATOM 317 C TRP A 22 5.771 4.961 -2.821 1.00 0.00 C ATOM 318 O TRP A 22 6.321 5.141 -1.752 1.00 0.00 O ATOM 319 CB TRP A 22 4.686 3.466 -4.592 1.00 0.00 C ATOM 320 CG TRP A 22 3.276 3.942 -4.214 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.758 5.092 -4.617 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.390 3.240 -3.527 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.499 5.063 -4.146 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.187 3.921 -3.436 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.502 1.987 -2.943 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.118 3.363 -2.765 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.428 1.435 -2.275 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.239 2.122 -2.188 1.00 0.00 C ATOM 0 H TRP A 22 4.477 2.849 -1.785 1.00 0.00 H new ATOM 0 HA TRP A 22 6.679 3.290 -3.766 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.061 4.071 -5.417 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.635 2.437 -4.949 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.236 5.872 -5.191 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.832 5.819 -4.300 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.432 1.442 -3.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.815 3.902 -2.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.521 0.460 -1.819 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.600 1.685 -1.666 1.00 0.00 H new ATOM 415 N VAL A 29 -3.637 14.661 -4.012 1.00 0.00 N ATOM 416 CA VAL A 29 -4.026 13.641 -5.012 1.00 0.00 C ATOM 417 C VAL A 29 -5.445 13.166 -4.767 1.00 0.00 C ATOM 418 O VAL A 29 -5.804 12.830 -3.657 1.00 0.00 O ATOM 419 CB VAL A 29 -3.079 12.433 -4.876 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.064 11.650 -6.190 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.665 12.926 -4.570 1.00 0.00 C ATOM 0 HA VAL A 29 -3.963 14.080 -6.008 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.426 11.789 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.395 10.795 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.071 11.300 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.716 12.297 -6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.995 12.072 -4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.320 13.568 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.670 13.490 -3.637 1.00 0.00 H new ATOM 431 N ARG A 30 -6.232 13.146 -5.802 1.00 0.00 N ATOM 432 CA ARG A 30 -7.626 12.693 -5.632 1.00 0.00 C ATOM 433 C ARG A 30 -7.642 11.320 -4.996 1.00 0.00 C ATOM 434 O ARG A 30 -8.051 11.157 -3.863 1.00 0.00 O ATOM 435 CB ARG A 30 -8.277 12.606 -7.017 1.00 0.00 C ATOM 436 CG ARG A 30 -9.262 13.758 -7.177 1.00 0.00 C ATOM 437 CD ARG A 30 -10.467 13.531 -6.260 1.00 0.00 C ATOM 438 NE ARG A 30 -10.622 14.710 -5.363 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.247 14.570 -4.227 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.107 13.596 -4.097 1.00 0.00 N ATOM 441 NH2 ARG A 30 -10.995 15.408 -3.259 1.00 0.00 N ATOM 0 H ARG A 30 -5.969 13.422 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.168 13.392 -4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.515 12.652 -7.795 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.792 11.652 -7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.777 14.702 -6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.589 13.829 -8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.370 13.388 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.326 12.625 -5.670 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.243 15.617 -5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.280 12.961 -4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.606 13.470 -3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.318 16.158 -3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.475 15.313 -2.364 1.00 0.00 H new ATOM 455 N TYR A 31 -7.196 10.351 -5.737 1.00 0.00 N ATOM 456 CA TYR A 31 -7.173 8.970 -5.192 1.00 0.00 C ATOM 457 C TYR A 31 -6.238 8.080 -5.992 1.00 0.00 C ATOM 458 O TYR A 31 -5.842 8.414 -7.092 1.00 0.00 O ATOM 459 CB TYR A 31 -8.588 8.376 -5.261 1.00 0.00 C ATOM 460 CG TYR A 31 -9.373 9.028 -6.402 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.056 8.752 -7.718 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.418 9.884 -6.133 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.777 9.325 -8.747 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.138 10.457 -7.161 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.824 10.182 -8.476 1.00 0.00 C ATOM 466 OH TYR A 31 -11.546 10.753 -9.503 1.00 0.00 O ATOM 0 H TYR A 31 -6.848 10.453 -6.690 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.821 9.017 -4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.532 7.299 -5.416 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.105 8.536 -4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.238 8.083 -7.944 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.676 10.109 -5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.519 9.101 -9.772 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.954 11.127 -6.934 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.247 11.328 -9.130 1.00 0.00 H new ATOM 476 N TYR A 32 -5.907 6.958 -5.410 1.00 0.00 N ATOM 477 CA TYR A 32 -4.998 6.001 -6.092 1.00 0.00 C ATOM 478 C TYR A 32 -5.749 4.724 -6.427 1.00 0.00 C ATOM 479 O TYR A 32 -6.771 4.435 -5.831 1.00 0.00 O ATOM 480 CB TYR A 32 -3.844 5.660 -5.130 1.00 0.00 C ATOM 481 CG TYR A 32 -2.623 6.521 -5.469 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.479 7.779 -4.921 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.645 6.049 -6.323 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.377 8.553 -5.222 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.544 6.824 -6.623 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.402 8.082 -6.075 1.00 0.00 C ATOM 487 OH TYR A 32 0.699 8.856 -6.374 1.00 0.00 O ATOM 0 H TYR A 32 -6.230 6.665 -4.488 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.617 6.446 -7.011 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.152 5.837 -4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.590 4.603 -5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.235 8.161 -4.251 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.743 5.066 -6.759 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.278 9.536 -4.786 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.213 6.443 -7.292 1.00 0.00 H new ATOM 0 HH TYR A 32 1.285 8.368 -6.989 1.00 0.00 H new ATOM 497 N ARG A 33 -5.242 3.982 -7.376 1.00 0.00 N ATOM 498 CA ARG A 33 -5.926 2.717 -7.756 1.00 0.00 C ATOM 499 C ARG A 33 -4.900 1.624 -8.005 1.00 0.00 C ATOM 500 O ARG A 33 -4.219 1.615 -9.012 1.00 0.00 O ATOM 501 CB ARG A 33 -6.740 2.993 -9.031 1.00 0.00 C ATOM 502 CG ARG A 33 -7.460 1.727 -9.507 1.00 0.00 C ATOM 503 CD ARG A 33 -8.140 2.030 -10.848 1.00 0.00 C ATOM 504 NE ARG A 33 -9.586 1.678 -10.756 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.362 1.884 -11.787 1.00 0.00 C ATOM 506 NH1 ARG A 33 -9.997 1.427 -12.953 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.477 2.541 -11.615 1.00 0.00 N ATOM 0 H ARG A 33 -4.392 4.196 -7.898 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.584 2.380 -6.955 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.469 3.780 -8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.079 3.357 -9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.751 0.907 -9.619 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.199 1.411 -8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.026 3.085 -11.097 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.665 1.461 -11.647 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.966 1.280 -9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.118 0.918 -13.049 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.590 1.579 -13.769 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.729 2.884 -10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.096 2.712 -12.408 1.00 0.00 H new ATOM 521 N ILE A 34 -4.811 0.724 -7.069 1.00 0.00 N ATOM 522 CA ILE A 34 -3.844 -0.388 -7.202 1.00 0.00 C ATOM 523 C ILE A 34 -4.518 -1.642 -7.758 1.00 0.00 C ATOM 524 O ILE A 34 -5.446 -2.160 -7.170 1.00 0.00 O ATOM 525 CB ILE A 34 -3.296 -0.702 -5.803 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.603 0.536 -5.211 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.252 -1.825 -5.923 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.642 1.615 -4.853 1.00 0.00 C ATOM 0 H ILE A 34 -5.370 0.714 -6.216 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.050 -0.094 -7.888 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.122 -1.001 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.041 0.255 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.886 0.936 -5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.854 -2.059 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.721 -2.714 -6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.440 -1.499 -6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.134 2.484 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.186 1.909 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.342 1.216 -4.119 1.00 0.00 H new ATOM 540 N THR A 35 -4.032 -2.100 -8.890 1.00 0.00 N ATOM 541 CA THR A 35 -4.618 -3.322 -9.517 1.00 0.00 C ATOM 542 C THR A 35 -3.538 -4.345 -9.799 1.00 0.00 C ATOM 543 O THR A 35 -2.469 -3.998 -10.262 1.00 0.00 O ATOM 544 CB THR A 35 -5.265 -2.925 -10.850 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.185 -2.667 -11.726 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.997 -1.582 -10.730 1.00 0.00 C ATOM 0 H THR A 35 -3.257 -1.679 -9.403 1.00 0.00 H new ATOM 0 HA THR A 35 -5.352 -3.753 -8.836 1.00 0.00 H new ATOM 0 HB THR A 35 -5.956 -3.705 -11.170 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.340 -2.747 -11.236 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.446 -1.325 -11.689 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.778 -1.659 -9.973 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.288 -0.806 -10.442 1.00 0.00 H new ATOM 554 N TYR A 36 -3.821 -5.599 -9.511 1.00 0.00 N ATOM 555 CA TYR A 36 -2.801 -6.634 -9.769 1.00 0.00 C ATOM 556 C TYR A 36 -3.452 -7.902 -10.277 1.00 0.00 C ATOM 557 O TYR A 36 -4.629 -8.138 -10.042 1.00 0.00 O ATOM 558 CB TYR A 36 -2.035 -6.929 -8.460 1.00 0.00 C ATOM 559 CG TYR A 36 -3.011 -7.278 -7.328 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.815 -6.305 -6.762 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.069 -8.563 -6.830 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.660 -6.618 -5.716 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.913 -8.873 -5.783 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.714 -7.904 -5.218 1.00 0.00 C ATOM 565 OH TYR A 36 -5.561 -8.215 -4.171 1.00 0.00 O ATOM 0 H TYR A 36 -4.701 -5.931 -9.116 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.109 -6.271 -10.529 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.342 -7.755 -8.617 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.439 -6.061 -8.178 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.782 -5.294 -7.141 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.448 -9.333 -7.263 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.284 -5.850 -5.284 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.946 -9.883 -5.403 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.471 -9.165 -3.949 1.00 0.00 H new ATOM 575 N GLY A 37 -2.682 -8.688 -10.985 1.00 0.00 N ATOM 576 CA GLY A 37 -3.229 -9.958 -11.531 1.00 0.00 C ATOM 577 C GLY A 37 -2.093 -10.887 -11.961 1.00 0.00 C ATOM 578 O GLY A 37 -1.125 -10.455 -12.559 1.00 0.00 O ATOM 0 H GLY A 37 -1.703 -8.503 -11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.844 -10.450 -10.778 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.876 -9.746 -12.382 1.00 0.00 H new ATOM 582 N GLU A 38 -2.232 -12.143 -11.643 1.00 0.00 N ATOM 583 CA GLU A 38 -1.180 -13.112 -12.021 1.00 0.00 C ATOM 584 C GLU A 38 -1.267 -13.449 -13.502 1.00 0.00 C ATOM 585 O GLU A 38 -2.333 -13.725 -14.017 1.00 0.00 O ATOM 586 CB GLU A 38 -1.399 -14.396 -11.206 1.00 0.00 C ATOM 587 CG GLU A 38 -0.193 -15.313 -11.388 1.00 0.00 C ATOM 588 CD GLU A 38 -0.671 -16.710 -11.800 1.00 0.00 C ATOM 589 OE1 GLU A 38 -0.971 -16.854 -12.974 1.00 0.00 O ATOM 590 OE2 GLU A 38 -0.709 -17.554 -10.918 1.00 0.00 O ATOM 0 H GLU A 38 -3.028 -12.535 -11.139 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.200 -12.679 -11.819 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.532 -14.154 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.308 -14.900 -11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.475 -14.907 -12.148 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.377 -15.371 -10.461 1.00 0.00 H new ATOM 597 N THR A 39 -0.143 -13.421 -14.165 1.00 0.00 N ATOM 598 CA THR A 39 -0.147 -13.738 -15.611 1.00 0.00 C ATOM 599 C THR A 39 -0.879 -15.046 -15.874 1.00 0.00 C ATOM 600 O THR A 39 -0.535 -16.077 -15.329 1.00 0.00 O ATOM 601 CB THR A 39 1.303 -13.879 -16.084 1.00 0.00 C ATOM 602 OG1 THR A 39 1.856 -12.582 -15.982 1.00 0.00 O ATOM 603 CG2 THR A 39 1.359 -14.204 -17.583 1.00 0.00 C ATOM 0 H THR A 39 0.768 -13.194 -13.767 1.00 0.00 H new ATOM 0 HA THR A 39 -0.655 -12.938 -16.148 1.00 0.00 H new ATOM 0 HB THR A 39 1.807 -14.653 -15.506 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.792 -12.602 -16.271 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.399 -14.299 -17.896 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.836 -15.141 -17.772 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.882 -13.402 -18.147 1.00 0.00 H new ATOM 664 N VAL A 45 -7.235 -10.761 -10.771 1.00 0.00 N ATOM 665 CA VAL A 45 -7.260 -11.028 -9.315 1.00 0.00 C ATOM 666 C VAL A 45 -8.112 -10.015 -8.599 1.00 0.00 C ATOM 667 O VAL A 45 -9.236 -10.297 -8.234 1.00 0.00 O ATOM 668 CB VAL A 45 -5.844 -10.943 -8.754 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.921 -10.935 -7.231 1.00 0.00 C ATOM 670 CG2 VAL A 45 -5.035 -12.151 -9.217 1.00 0.00 C ATOM 0 HA VAL A 45 -7.675 -12.024 -9.162 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.359 -10.033 -9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.915 -10.874 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.502 -10.074 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.401 -11.851 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.024 -12.088 -8.815 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.510 -13.065 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.992 -12.164 -10.306 1.00 0.00 H new ATOM 680 N GLN A 46 -7.576 -8.841 -8.404 1.00 0.00 N ATOM 681 CA GLN A 46 -8.385 -7.814 -7.699 1.00 0.00 C ATOM 682 C GLN A 46 -7.778 -6.425 -7.801 1.00 0.00 C ATOM 683 O GLN A 46 -6.672 -6.249 -8.273 1.00 0.00 O ATOM 684 CB GLN A 46 -8.465 -8.204 -6.215 1.00 0.00 C ATOM 685 CG GLN A 46 -9.896 -7.994 -5.717 1.00 0.00 C ATOM 686 CD GLN A 46 -9.911 -8.051 -4.188 1.00 0.00 C ATOM 687 OE1 GLN A 46 -9.411 -8.981 -3.585 1.00 0.00 O ATOM 688 NE2 GLN A 46 -10.470 -7.077 -3.522 1.00 0.00 N ATOM 0 H GLN A 46 -6.640 -8.556 -8.693 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.369 -7.780 -8.167 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.171 -9.245 -6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.771 -7.600 -5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.276 -7.032 -6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.553 -8.761 -6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.891 -6.294 -4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.485 -7.099 -2.502 1.00 0.00 H new ATOM 697 N GLU A 47 -8.533 -5.465 -7.343 1.00 0.00 N ATOM 698 CA GLU A 47 -8.069 -4.063 -7.378 1.00 0.00 C ATOM 699 C GLU A 47 -8.706 -3.294 -6.218 1.00 0.00 C ATOM 700 O GLU A 47 -9.713 -3.717 -5.684 1.00 0.00 O ATOM 701 CB GLU A 47 -8.512 -3.463 -8.747 1.00 0.00 C ATOM 702 CG GLU A 47 -9.023 -2.020 -8.587 1.00 0.00 C ATOM 703 CD GLU A 47 -9.278 -1.428 -9.975 1.00 0.00 C ATOM 704 OE1 GLU A 47 -10.177 -1.940 -10.625 1.00 0.00 O ATOM 705 OE2 GLU A 47 -8.563 -0.502 -10.308 1.00 0.00 O ATOM 0 H GLU A 47 -9.461 -5.601 -6.943 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.986 -3.997 -7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.672 -3.479 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.297 -4.083 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.940 -2.008 -7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.290 -1.418 -8.049 1.00 0.00 H new ATOM 712 N PHE A 48 -8.123 -2.184 -5.837 1.00 0.00 N ATOM 713 CA PHE A 48 -8.720 -1.423 -4.713 1.00 0.00 C ATOM 714 C PHE A 48 -8.250 0.021 -4.706 1.00 0.00 C ATOM 715 O PHE A 48 -7.084 0.302 -4.899 1.00 0.00 O ATOM 716 CB PHE A 48 -8.323 -2.100 -3.384 1.00 0.00 C ATOM 717 CG PHE A 48 -6.797 -2.196 -3.271 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.084 -3.101 -4.043 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.112 -1.405 -2.365 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.714 -3.210 -3.905 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.743 -1.519 -2.231 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.048 -2.420 -3.000 1.00 0.00 C ATOM 0 H PHE A 48 -7.279 -1.784 -6.248 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.803 -1.422 -4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.722 -1.530 -2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.762 -3.096 -3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.603 -3.724 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.653 -0.693 -1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.166 -3.917 -4.510 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.217 -0.899 -1.520 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.977 -2.507 -2.893 1.00 0.00 H new ATOM 732 N THR A 49 -9.177 0.913 -4.478 1.00 0.00 N ATOM 733 CA THR A 49 -8.824 2.351 -4.451 1.00 0.00 C ATOM 734 C THR A 49 -8.499 2.816 -3.043 1.00 0.00 C ATOM 735 O THR A 49 -8.878 2.193 -2.072 1.00 0.00 O ATOM 736 CB THR A 49 -10.027 3.148 -4.955 1.00 0.00 C ATOM 737 OG1 THR A 49 -11.125 2.694 -4.187 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.379 2.760 -6.397 1.00 0.00 C ATOM 0 H THR A 49 -10.161 0.703 -4.310 1.00 0.00 H new ATOM 0 HA THR A 49 -7.946 2.506 -5.078 1.00 0.00 H new ATOM 0 HB THR A 49 -9.814 4.215 -4.889 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.936 3.171 -4.462 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.238 3.342 -6.731 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.528 2.964 -7.047 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.621 1.698 -6.439 1.00 0.00 H new ATOM 746 N VAL A 50 -7.798 3.910 -2.960 1.00 0.00 N ATOM 747 CA VAL A 50 -7.434 4.441 -1.635 1.00 0.00 C ATOM 748 C VAL A 50 -7.265 5.990 -1.732 1.00 0.00 C ATOM 749 O VAL A 50 -6.798 6.482 -2.741 1.00 0.00 O ATOM 750 CB VAL A 50 -6.081 3.764 -1.223 1.00 0.00 C ATOM 751 CG1 VAL A 50 -4.982 4.814 -0.970 1.00 0.00 C ATOM 752 CG2 VAL A 50 -6.284 2.936 0.055 1.00 0.00 C ATOM 0 H VAL A 50 -7.465 4.454 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.203 4.229 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.765 3.121 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.057 4.312 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.816 5.393 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.294 5.481 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.342 2.467 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.622 3.588 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.033 2.165 -0.126 1.00 0.00 H new ATOM 762 N PRO A 51 -7.677 6.744 -0.691 1.00 0.00 N ATOM 763 CA PRO A 51 -7.543 8.212 -0.718 1.00 0.00 C ATOM 764 C PRO A 51 -6.066 8.668 -0.750 1.00 0.00 C ATOM 765 O PRO A 51 -5.735 9.734 -0.265 1.00 0.00 O ATOM 766 CB PRO A 51 -8.197 8.693 0.601 1.00 0.00 C ATOM 767 CG PRO A 51 -8.626 7.428 1.403 1.00 0.00 C ATOM 768 CD PRO A 51 -8.338 6.205 0.523 1.00 0.00 C ATOM 0 HA PRO A 51 -8.009 8.623 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.495 9.293 1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.060 9.325 0.392 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.075 7.364 2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.685 7.476 1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.694 5.492 1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.258 5.678 0.269 1.00 0.00 H new ATOM 776 N GLY A 52 -5.212 7.865 -1.333 1.00 0.00 N ATOM 777 CA GLY A 52 -3.770 8.252 -1.394 1.00 0.00 C ATOM 778 C GLY A 52 -3.224 8.486 0.017 1.00 0.00 C ATOM 779 O GLY A 52 -2.154 9.035 0.190 1.00 0.00 O ATOM 0 H GLY A 52 -5.446 6.971 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.196 7.468 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.654 9.156 -1.991 1.00 0.00 H new ATOM 783 N SER A 53 -3.971 8.058 0.997 1.00 0.00 N ATOM 784 CA SER A 53 -3.517 8.243 2.395 1.00 0.00 C ATOM 785 C SER A 53 -2.503 7.175 2.786 1.00 0.00 C ATOM 786 O SER A 53 -1.624 7.415 3.588 1.00 0.00 O ATOM 787 CB SER A 53 -4.742 8.123 3.315 1.00 0.00 C ATOM 788 OG SER A 53 -4.944 9.442 3.802 1.00 0.00 O ATOM 0 H SER A 53 -4.871 7.591 0.887 1.00 0.00 H new ATOM 0 HA SER A 53 -3.043 9.220 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.615 7.762 2.771 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.561 7.421 4.129 1.00 0.00 H new ATOM 0 HG SER A 53 -5.718 9.454 4.403 1.00 0.00 H new ATOM 794 N LYS A 54 -2.642 6.013 2.212 1.00 0.00 N ATOM 795 CA LYS A 54 -1.696 4.919 2.541 1.00 0.00 C ATOM 796 C LYS A 54 -0.524 4.900 1.563 1.00 0.00 C ATOM 797 O LYS A 54 -0.708 4.731 0.373 1.00 0.00 O ATOM 798 CB LYS A 54 -2.451 3.582 2.433 1.00 0.00 C ATOM 799 CG LYS A 54 -2.783 3.072 3.838 1.00 0.00 C ATOM 800 CD LYS A 54 -3.604 1.781 3.724 1.00 0.00 C ATOM 801 CE LYS A 54 -4.015 1.319 5.124 1.00 0.00 C ATOM 802 NZ LYS A 54 -4.980 0.183 5.039 1.00 0.00 N ATOM 0 H LYS A 54 -3.366 5.777 1.534 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.307 5.074 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.366 3.714 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.843 2.850 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.866 2.886 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.344 3.827 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.489 1.952 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.018 1.006 3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.133 1.013 5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.467 2.148 5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.248 -0.117 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.829 0.487 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.536 -0.613 4.538 1.00 0.00 H new ATOM 816 N SER A 55 0.664 5.077 2.082 1.00 0.00 N ATOM 817 CA SER A 55 1.855 5.072 1.194 1.00 0.00 C ATOM 818 C SER A 55 2.305 3.644 0.919 1.00 0.00 C ATOM 819 O SER A 55 2.982 3.374 -0.061 1.00 0.00 O ATOM 820 CB SER A 55 2.991 5.828 1.899 1.00 0.00 C ATOM 821 OG SER A 55 3.127 7.026 1.149 1.00 0.00 O ATOM 0 H SER A 55 0.856 5.223 3.073 1.00 0.00 H new ATOM 0 HA SER A 55 1.603 5.550 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.746 6.035 2.941 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.915 5.250 1.898 1.00 0.00 H new ATOM 0 HG SER A 55 3.839 7.576 1.537 1.00 0.00 H new ATOM 827 N THR A 56 1.911 2.761 1.797 1.00 0.00 N ATOM 828 CA THR A 56 2.284 1.331 1.644 1.00 0.00 C ATOM 829 C THR A 56 1.029 0.479 1.519 1.00 0.00 C ATOM 830 O THR A 56 -0.071 0.997 1.530 1.00 0.00 O ATOM 831 CB THR A 56 3.061 0.892 2.892 1.00 0.00 C ATOM 832 OG1 THR A 56 2.157 1.043 3.968 1.00 0.00 O ATOM 833 CG2 THR A 56 4.201 1.876 3.201 1.00 0.00 C ATOM 0 H THR A 56 1.343 2.973 2.617 1.00 0.00 H new ATOM 0 HA THR A 56 2.894 1.206 0.750 1.00 0.00 H new ATOM 0 HB THR A 56 3.455 -0.114 2.747 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.595 0.775 4.803 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.737 1.544 4.090 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.888 1.914 2.356 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.787 2.869 3.377 1.00 0.00 H new ATOM 841 N ALA A 57 1.202 -0.809 1.400 1.00 0.00 N ATOM 842 CA ALA A 57 0.006 -1.677 1.276 1.00 0.00 C ATOM 843 C ALA A 57 0.357 -3.147 1.451 1.00 0.00 C ATOM 844 O ALA A 57 1.407 -3.593 1.030 1.00 0.00 O ATOM 845 CB ALA A 57 -0.582 -1.482 -0.130 1.00 0.00 C ATOM 0 H ALA A 57 2.103 -1.287 1.384 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.705 -1.401 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.464 -2.111 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.861 -0.437 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.162 -1.759 -0.877 1.00 0.00 H new ATOM 851 N THR A 58 -0.541 -3.874 2.078 1.00 0.00 N ATOM 852 CA THR A 58 -0.303 -5.326 2.302 1.00 0.00 C ATOM 853 C THR A 58 -1.262 -6.142 1.446 1.00 0.00 C ATOM 854 O THR A 58 -2.456 -6.139 1.682 1.00 0.00 O ATOM 855 CB THR A 58 -0.563 -5.644 3.784 1.00 0.00 C ATOM 856 OG1 THR A 58 0.489 -5.018 4.491 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.374 -7.146 4.064 1.00 0.00 C ATOM 0 H THR A 58 -1.425 -3.519 2.441 1.00 0.00 H new ATOM 0 HA THR A 58 0.724 -5.575 2.033 1.00 0.00 H new ATOM 0 HB THR A 58 -1.569 -5.327 4.058 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.381 -5.182 5.451 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.563 -7.346 5.119 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.072 -7.720 3.455 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.647 -7.436 3.817 1.00 0.00 H new ATOM 865 N ILE A 59 -0.721 -6.833 0.471 1.00 0.00 N ATOM 866 CA ILE A 59 -1.579 -7.658 -0.418 1.00 0.00 C ATOM 867 C ILE A 59 -1.379 -9.137 -0.127 1.00 0.00 C ATOM 868 O ILE A 59 -0.277 -9.581 0.123 1.00 0.00 O ATOM 869 CB ILE A 59 -1.177 -7.345 -1.885 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.143 -8.631 -2.742 1.00 0.00 C ATOM 871 CG2 ILE A 59 0.230 -6.718 -1.878 1.00 0.00 C ATOM 872 CD1 ILE A 59 -0.980 -8.273 -4.233 1.00 0.00 C ATOM 0 H ILE A 59 0.276 -6.857 0.258 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.630 -7.424 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.912 -6.664 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.319 -9.269 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.062 -9.199 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.532 -6.490 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.216 -5.800 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.939 -7.420 -1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.957 -9.187 -4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.818 -7.654 -4.552 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.049 -7.725 -4.376 1.00 0.00 H new ATOM 884 N SER A 60 -2.454 -9.870 -0.162 1.00 0.00 N ATOM 885 CA SER A 60 -2.360 -11.320 0.108 1.00 0.00 C ATOM 886 C SER A 60 -3.367 -12.086 -0.740 1.00 0.00 C ATOM 887 O SER A 60 -4.293 -11.510 -1.274 1.00 0.00 O ATOM 888 CB SER A 60 -2.674 -11.558 1.592 1.00 0.00 C ATOM 889 OG SER A 60 -1.550 -11.022 2.273 1.00 0.00 O ATOM 0 H SER A 60 -3.391 -9.524 -0.366 1.00 0.00 H new ATOM 0 HA SER A 60 -1.357 -11.669 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.596 -11.059 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.802 -12.619 1.807 1.00 0.00 H new ATOM 0 HG SER A 60 -1.737 -10.986 3.234 1.00 0.00 H new ATOM 895 N GLY A 61 -3.171 -13.375 -0.843 1.00 0.00 N ATOM 896 CA GLY A 61 -4.108 -14.206 -1.657 1.00 0.00 C ATOM 897 C GLY A 61 -3.444 -14.562 -2.981 1.00 0.00 C ATOM 898 O GLY A 61 -4.076 -15.066 -3.890 1.00 0.00 O ATOM 0 H GLY A 61 -2.407 -13.886 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.373 -15.113 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.034 -13.660 -1.837 1.00 0.00 H new ATOM 902 N LEU A 62 -2.172 -14.288 -3.057 1.00 0.00 N ATOM 903 CA LEU A 62 -1.427 -14.592 -4.294 1.00 0.00 C ATOM 904 C LEU A 62 -0.798 -15.981 -4.234 1.00 0.00 C ATOM 905 O LEU A 62 -0.981 -16.707 -3.276 1.00 0.00 O ATOM 906 CB LEU A 62 -0.317 -13.514 -4.478 1.00 0.00 C ATOM 907 CG LEU A 62 0.848 -13.726 -3.475 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.905 -12.641 -3.708 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.332 -13.608 -2.040 1.00 0.00 C ATOM 0 H LEU A 62 -1.621 -13.865 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.116 -14.578 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.066 -13.554 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.745 -12.521 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 62 1.276 -14.717 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.729 -12.780 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.280 -12.712 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.459 -11.659 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.157 -13.758 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.096 -12.617 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.433 -14.364 -1.865 1.00 0.00 H new ATOM 921 N LYS A 63 -0.065 -16.320 -5.272 1.00 0.00 N ATOM 922 CA LYS A 63 0.598 -17.654 -5.318 1.00 0.00 C ATOM 923 C LYS A 63 2.145 -17.480 -5.364 1.00 0.00 C ATOM 924 O LYS A 63 2.669 -17.033 -6.364 1.00 0.00 O ATOM 925 CB LYS A 63 0.154 -18.349 -6.627 1.00 0.00 C ATOM 926 CG LYS A 63 0.437 -19.874 -6.545 1.00 0.00 C ATOM 927 CD LYS A 63 1.489 -20.274 -7.594 1.00 0.00 C ATOM 928 CE LYS A 63 0.843 -20.299 -8.985 1.00 0.00 C ATOM 929 NZ LYS A 63 0.137 -21.593 -9.211 1.00 0.00 N ATOM 0 H LYS A 63 0.099 -15.727 -6.086 1.00 0.00 H new ATOM 0 HA LYS A 63 0.325 -18.235 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.909 -18.177 -6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.686 -17.918 -7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.791 -20.133 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.484 -20.432 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.319 -19.567 -7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.901 -21.254 -7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.139 -19.473 -9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.607 -20.157 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.294 -21.592 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.817 -22.376 -9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.605 -21.714 -8.492 1.00 0.00 H new ATOM 943 N PRO A 64 2.868 -17.837 -4.281 1.00 0.00 N ATOM 944 CA PRO A 64 4.328 -17.690 -4.276 1.00 0.00 C ATOM 945 C PRO A 64 4.982 -18.483 -5.405 1.00 0.00 C ATOM 946 O PRO A 64 4.615 -19.610 -5.671 1.00 0.00 O ATOM 947 CB PRO A 64 4.783 -18.249 -2.912 1.00 0.00 C ATOM 948 CG PRO A 64 3.500 -18.597 -2.098 1.00 0.00 C ATOM 949 CD PRO A 64 2.299 -18.399 -3.036 1.00 0.00 C ATOM 0 HA PRO A 64 4.616 -16.649 -4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.403 -19.135 -3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.388 -17.515 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.541 -19.625 -1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.414 -17.954 -1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.789 -19.343 -3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.565 -17.723 -2.598 1.00 0.00 H new ATOM 957 N GLY A 65 5.947 -17.873 -6.046 1.00 0.00 N ATOM 958 CA GLY A 65 6.644 -18.572 -7.164 1.00 0.00 C ATOM 959 C GLY A 65 5.865 -18.383 -8.465 1.00 0.00 C ATOM 960 O GLY A 65 5.428 -19.339 -9.074 1.00 0.00 O ATOM 0 H GLY A 65 6.279 -16.930 -5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.655 -18.179 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.738 -19.634 -6.938 1.00 0.00 H new ATOM 964 N VAL A 66 5.709 -17.148 -8.867 1.00 0.00 N ATOM 965 CA VAL A 66 4.963 -16.889 -10.120 1.00 0.00 C ATOM 966 C VAL A 66 5.102 -15.433 -10.563 1.00 0.00 C ATOM 967 O VAL A 66 5.387 -14.555 -9.766 1.00 0.00 O ATOM 968 CB VAL A 66 3.476 -17.185 -9.857 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.845 -15.993 -9.129 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.758 -17.399 -11.194 1.00 0.00 C ATOM 0 H VAL A 66 6.063 -16.322 -8.385 1.00 0.00 H new ATOM 0 HA VAL A 66 5.366 -17.524 -10.909 1.00 0.00 H new ATOM 0 HB VAL A 66 3.383 -18.081 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.791 -16.198 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.359 -15.832 -8.181 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.936 -15.100 -9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.704 -17.609 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.849 -16.500 -11.804 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.210 -18.240 -11.719 1.00 0.00 H new ATOM 980 N ASP A 67 4.903 -15.211 -11.834 1.00 0.00 N ATOM 981 CA ASP A 67 5.010 -13.836 -12.365 1.00 0.00 C ATOM 982 C ASP A 67 3.786 -13.027 -11.969 1.00 0.00 C ATOM 983 O ASP A 67 2.686 -13.546 -11.947 1.00 0.00 O ATOM 984 CB ASP A 67 5.081 -13.907 -13.897 1.00 0.00 C ATOM 985 CG ASP A 67 5.488 -12.538 -14.446 1.00 0.00 C ATOM 986 OD1 ASP A 67 4.770 -11.599 -14.146 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.495 -12.507 -15.133 1.00 0.00 O ATOM 0 H ASP A 67 4.671 -15.927 -12.522 1.00 0.00 H new ATOM 0 HA ASP A 67 5.902 -13.359 -11.959 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.802 -14.664 -14.205 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.114 -14.203 -14.304 1.00 0.00 H new ATOM 992 N TYR A 68 3.994 -11.772 -11.661 1.00 0.00 N ATOM 993 CA TYR A 68 2.853 -10.920 -11.267 1.00 0.00 C ATOM 994 C TYR A 68 2.951 -9.547 -11.903 1.00 0.00 C ATOM 995 O TYR A 68 3.978 -8.899 -11.833 1.00 0.00 O ATOM 996 CB TYR A 68 2.898 -10.760 -9.752 1.00 0.00 C ATOM 997 CG TYR A 68 1.796 -11.615 -9.131 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.467 -11.308 -9.342 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.114 -12.720 -8.370 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.528 -12.095 -8.800 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.122 -13.505 -7.830 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.209 -13.200 -8.039 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.203 -13.988 -7.496 1.00 0.00 O ATOM 0 H TYR A 68 4.903 -11.310 -11.668 1.00 0.00 H new ATOM 0 HA TYR A 68 1.924 -11.385 -11.597 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.872 -11.065 -9.370 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.762 -9.713 -9.479 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.204 -10.445 -9.936 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.150 -12.971 -8.197 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.564 -11.844 -8.973 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.386 -14.368 -7.237 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.028 -14.928 -7.708 1.00 0.00 H new ATOM 1013 N THR A 69 1.873 -9.125 -12.511 1.00 0.00 N ATOM 1014 CA THR A 69 1.870 -7.793 -13.165 1.00 0.00 C ATOM 1015 C THR A 69 1.132 -6.775 -12.301 1.00 0.00 C ATOM 1016 O THR A 69 -0.006 -6.995 -11.919 1.00 0.00 O ATOM 1017 CB THR A 69 1.145 -7.921 -14.507 1.00 0.00 C ATOM 1018 OG1 THR A 69 0.655 -9.246 -14.545 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.140 -7.842 -15.676 1.00 0.00 C ATOM 0 H THR A 69 0.999 -9.647 -12.580 1.00 0.00 H new ATOM 0 HA THR A 69 2.897 -7.456 -13.305 1.00 0.00 H new ATOM 0 HB THR A 69 0.391 -7.139 -14.594 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.175 -9.393 -15.386 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.602 -7.935 -16.619 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.659 -6.884 -15.648 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.866 -8.651 -15.591 1.00 0.00 H new ATOM 1027 N ILE A 70 1.798 -5.676 -12.005 1.00 0.00 N ATOM 1028 CA ILE A 70 1.157 -4.621 -11.165 1.00 0.00 C ATOM 1029 C ILE A 70 0.982 -3.330 -11.955 1.00 0.00 C ATOM 1030 O ILE A 70 1.771 -3.017 -12.825 1.00 0.00 O ATOM 1031 CB ILE A 70 2.064 -4.332 -9.967 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.579 -3.070 -9.253 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.493 -4.088 -10.485 1.00 0.00 C ATOM 1034 CD1 ILE A 70 1.959 -3.137 -7.772 1.00 0.00 C ATOM 0 H ILE A 70 2.750 -5.471 -12.309 1.00 0.00 H new ATOM 0 HA ILE A 70 0.178 -4.977 -10.843 1.00 0.00 H new ATOM 0 HB ILE A 70 2.045 -5.174 -9.276 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.023 -2.187 -9.713 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.498 -2.974 -9.357 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.154 -3.880 -9.644 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.845 -4.974 -11.013 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.493 -3.237 -11.166 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.612 -2.236 -7.266 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.494 -4.011 -7.316 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.042 -3.212 -7.677 1.00 0.00 H new ATOM 1046 N THR A 71 -0.054 -2.602 -11.636 1.00 0.00 N ATOM 1047 CA THR A 71 -0.304 -1.329 -12.351 1.00 0.00 C ATOM 1048 C THR A 71 -0.906 -0.305 -11.409 1.00 0.00 C ATOM 1049 O THR A 71 -1.957 -0.537 -10.841 1.00 0.00 O ATOM 1050 CB THR A 71 -1.302 -1.607 -13.485 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.762 -2.704 -14.193 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.327 -0.458 -14.511 1.00 0.00 C ATOM 0 H THR A 71 -0.733 -2.837 -10.912 1.00 0.00 H new ATOM 0 HA THR A 71 0.635 -0.939 -12.742 1.00 0.00 H new ATOM 0 HB THR A 71 -2.297 -1.754 -13.065 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.356 -2.937 -14.937 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.044 -0.689 -15.299 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.619 0.467 -14.014 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.335 -0.338 -14.947 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.234 0.826 -11.258 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.772 1.876 -10.342 1.00 0.00 C ATOM 1062 C VAL A 72 -1.297 3.056 -11.139 1.00 0.00 C ATOM 1063 O VAL A 72 -0.587 3.658 -11.931 1.00 0.00 O ATOM 1064 CB VAL A 72 0.343 2.352 -9.365 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.990 1.133 -8.714 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.410 3.139 -10.118 1.00 0.00 C ATOM 0 H VAL A 72 0.644 1.055 -11.723 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.594 1.448 -9.767 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.102 2.995 -8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.772 1.459 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.236 0.571 -8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.425 0.497 -9.485 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.182 3.464 -9.421 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.857 2.505 -10.884 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.955 4.011 -10.588 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.550 3.339 -10.929 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.193 4.464 -11.636 1.00 0.00 C ATOM 1078 C TYR A 73 -3.378 5.631 -10.665 1.00 0.00 C ATOM 1079 O TYR A 73 -4.277 5.620 -9.839 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.574 3.976 -12.124 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.552 3.740 -13.635 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -3.841 2.681 -14.169 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.266 4.561 -14.480 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -3.849 2.450 -15.530 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.275 4.328 -15.841 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.567 3.272 -16.376 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.577 3.042 -17.738 1.00 0.00 O ATOM 0 H TYR A 73 -3.159 2.829 -10.289 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.583 4.796 -12.476 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.844 3.054 -11.609 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.336 4.714 -11.876 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.276 2.031 -13.517 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.823 5.393 -14.075 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.290 1.620 -15.936 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.841 4.978 -16.492 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.134 3.716 -18.180 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.512 6.612 -10.770 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.616 7.790 -9.858 1.00 0.00 C ATOM 1099 C ALA A 74 -3.398 8.924 -10.503 1.00 0.00 C ATOM 1100 O ALA A 74 -2.948 9.518 -11.455 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.194 8.293 -9.556 1.00 0.00 C ATOM 0 H ALA A 74 -1.745 6.646 -11.442 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.136 7.483 -8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.247 9.155 -8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.621 7.499 -9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.705 8.582 -10.486 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.553 9.212 -9.953 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.386 10.311 -10.519 1.00 0.00 C ATOM 1109 C VAL A 75 -5.380 11.532 -9.609 1.00 0.00 C ATOM 1110 O VAL A 75 -5.637 11.429 -8.424 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.830 9.803 -10.646 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.633 10.772 -11.528 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.818 8.422 -11.302 1.00 0.00 C ATOM 0 H VAL A 75 -4.950 8.736 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.977 10.599 -11.488 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.287 9.741 -9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.659 10.415 -11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.633 11.763 -11.073 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.177 10.827 -12.517 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.840 8.055 -11.396 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.366 8.493 -12.291 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.239 7.732 -10.687 1.00 0.00 H new ATOM 1123 N THR A 76 -5.078 12.670 -10.190 1.00 0.00 N ATOM 1124 CA THR A 76 -5.043 13.932 -9.399 1.00 0.00 C ATOM 1125 C THR A 76 -6.003 14.943 -10.009 1.00 0.00 C ATOM 1126 O THR A 76 -6.450 14.774 -11.127 1.00 0.00 O ATOM 1127 CB THR A 76 -3.621 14.508 -9.451 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.453 14.972 -10.776 1.00 0.00 O ATOM 1129 CG2 THR A 76 -2.572 13.398 -9.293 1.00 0.00 C ATOM 0 H THR A 76 -4.855 12.774 -11.180 1.00 0.00 H new ATOM 0 HA THR A 76 -5.333 13.727 -8.369 1.00 0.00 H new ATOM 0 HB THR A 76 -3.500 15.259 -8.670 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.557 15.357 -10.877 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.573 13.833 -9.333 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.712 12.899 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.685 12.673 -10.099 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.579 6.981 -15.793 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.542 5.655 -15.183 1.00 0.00 C ATOM 1268 C PRO A 87 0.695 4.884 -15.624 1.00 0.00 C ATOM 1269 O PRO A 87 1.276 5.185 -16.648 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.812 4.949 -15.693 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.504 5.908 -16.709 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.649 7.179 -16.789 1.00 0.00 C ATOM 0 HA PRO A 87 -0.502 5.714 -14.095 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.559 4.002 -16.170 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.482 4.719 -14.865 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.585 5.437 -17.689 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.517 6.146 -16.385 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.237 7.316 -17.789 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.239 8.067 -16.563 1.00 0.00 H new ATOM 1280 N ILE A 88 1.086 3.899 -14.848 1.00 0.00 N ATOM 1281 CA ILE A 88 2.288 3.118 -15.239 1.00 0.00 C ATOM 1282 C ILE A 88 2.161 1.671 -14.797 1.00 0.00 C ATOM 1283 O ILE A 88 1.508 1.376 -13.815 1.00 0.00 O ATOM 1284 CB ILE A 88 3.513 3.747 -14.565 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.779 2.985 -14.983 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.336 3.647 -13.030 1.00 0.00 C ATOM 1287 CD1 ILE A 88 6.025 3.838 -14.689 1.00 0.00 C ATOM 0 H ILE A 88 0.632 3.612 -13.981 1.00 0.00 H new ATOM 0 HA ILE A 88 2.390 3.137 -16.324 1.00 0.00 H new ATOM 0 HB ILE A 88 3.609 4.790 -14.865 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.839 2.040 -14.444 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.735 2.744 -16.045 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.200 4.090 -12.535 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.433 4.181 -12.732 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.250 2.599 -12.741 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.919 3.291 -14.988 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.967 4.772 -15.248 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.073 4.056 -13.622 1.00 0.00 H new ATOM 1299 N SER A 89 2.783 0.790 -15.539 1.00 0.00 N ATOM 1300 CA SER A 89 2.711 -0.648 -15.180 1.00 0.00 C ATOM 1301 C SER A 89 4.056 -1.329 -15.376 1.00 0.00 C ATOM 1302 O SER A 89 4.840 -0.940 -16.221 1.00 0.00 O ATOM 1303 CB SER A 89 1.678 -1.327 -16.094 1.00 0.00 C ATOM 1304 OG SER A 89 0.917 -0.251 -16.623 1.00 0.00 O ATOM 0 H SER A 89 3.332 1.007 -16.371 1.00 0.00 H new ATOM 0 HA SER A 89 2.427 -0.734 -14.131 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.162 -1.899 -16.886 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.050 -2.022 -15.537 1.00 0.00 H new ATOM 0 HG SER A 89 0.040 -0.581 -16.909 1.00 0.00 H new ATOM 1310 N ILE A 90 4.303 -2.340 -14.587 1.00 0.00 N ATOM 1311 CA ILE A 90 5.590 -3.064 -14.708 1.00 0.00 C ATOM 1312 C ILE A 90 5.437 -4.514 -14.257 1.00 0.00 C ATOM 1313 O ILE A 90 4.726 -4.804 -13.309 1.00 0.00 O ATOM 1314 CB ILE A 90 6.621 -2.381 -13.801 1.00 0.00 C ATOM 1315 CG1 ILE A 90 6.011 -2.139 -12.424 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.007 -1.019 -14.413 1.00 0.00 C ATOM 1317 CD1 ILE A 90 7.061 -1.499 -11.511 1.00 0.00 C ATOM 0 H ILE A 90 3.669 -2.691 -13.869 1.00 0.00 H new ATOM 0 HA ILE A 90 5.909 -3.047 -15.750 1.00 0.00 H new ATOM 0 HB ILE A 90 7.500 -3.019 -13.710 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.141 -1.488 -12.508 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.665 -3.080 -11.996 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.740 -0.527 -13.773 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.435 -1.173 -15.403 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.119 -0.392 -14.495 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.629 -1.324 -10.526 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.918 -2.166 -11.418 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.385 -0.550 -11.938 1.00 0.00 H new ATOM 1329 N ASN A 91 6.100 -5.400 -14.949 1.00 0.00 N ATOM 1330 CA ASN A 91 6.015 -6.818 -14.588 1.00 0.00 C ATOM 1331 C ASN A 91 7.151 -7.191 -13.646 1.00 0.00 C ATOM 1332 O ASN A 91 8.242 -6.669 -13.757 1.00 0.00 O ATOM 1333 CB ASN A 91 6.154 -7.629 -15.877 1.00 0.00 C ATOM 1334 CG ASN A 91 7.468 -7.257 -16.569 1.00 0.00 C ATOM 1335 OD1 ASN A 91 7.499 -6.437 -17.465 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.572 -7.836 -16.183 1.00 0.00 N ATOM 0 H ASN A 91 6.696 -5.189 -15.750 1.00 0.00 H new ATOM 0 HA ASN A 91 5.067 -7.021 -14.090 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.137 -8.696 -15.653 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.312 -7.429 -16.539 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.456 -7.600 -16.633 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.551 -8.525 -15.431 1.00 0.00 H new ATOM 1343 N TYR A 92 6.884 -8.082 -12.736 1.00 0.00 N ATOM 1344 CA TYR A 92 7.954 -8.482 -11.791 1.00 0.00 C ATOM 1345 C TYR A 92 7.693 -9.866 -11.218 1.00 0.00 C ATOM 1346 O TYR A 92 6.570 -10.220 -10.918 1.00 0.00 O ATOM 1347 CB TYR A 92 7.989 -7.465 -10.640 1.00 0.00 C ATOM 1348 CG TYR A 92 9.098 -7.849 -9.655 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.418 -7.864 -10.057 1.00 0.00 C ATOM 1350 CD2 TYR A 92 8.793 -8.183 -8.351 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.417 -8.207 -9.169 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.793 -8.527 -7.463 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.113 -8.542 -7.867 1.00 0.00 C ATOM 1354 OH TYR A 92 12.114 -8.888 -6.981 1.00 0.00 O ATOM 0 H TYR A 92 5.984 -8.544 -12.608 1.00 0.00 H new ATOM 0 HA TYR A 92 8.904 -8.506 -12.324 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.166 -6.463 -11.031 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.026 -7.443 -10.130 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.671 -7.605 -11.075 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.764 -8.175 -8.023 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.446 -8.213 -9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.541 -8.786 -6.445 1.00 0.00 H new ATOM 0 HH TYR A 92 11.721 -9.093 -6.107 1.00 0.00 H new ATOM 1364 N ARG A 93 8.742 -10.628 -11.077 1.00 0.00 N ATOM 1365 CA ARG A 93 8.588 -11.992 -10.526 1.00 0.00 C ATOM 1366 C ARG A 93 8.580 -11.948 -9.003 1.00 0.00 C ATOM 1367 O ARG A 93 9.533 -11.510 -8.391 1.00 0.00 O ATOM 1368 CB ARG A 93 9.785 -12.841 -11.030 1.00 0.00 C ATOM 1369 CG ARG A 93 9.861 -14.185 -10.280 1.00 0.00 C ATOM 1370 CD ARG A 93 11.071 -14.153 -9.337 1.00 0.00 C ATOM 1371 NE ARG A 93 11.013 -15.323 -8.417 1.00 0.00 N ATOM 1372 CZ ARG A 93 11.867 -15.400 -7.432 1.00 0.00 C ATOM 1373 NH1 ARG A 93 12.186 -14.311 -6.787 1.00 0.00 N ATOM 1374 NH2 ARG A 93 12.374 -16.563 -7.128 1.00 0.00 N ATOM 0 H ARG A 93 9.696 -10.361 -11.321 1.00 0.00 H new ATOM 0 HA ARG A 93 7.645 -12.430 -10.853 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.682 -13.022 -12.100 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.713 -12.288 -10.888 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.945 -14.354 -9.714 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.955 -15.008 -10.988 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.996 -14.175 -9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.075 -13.226 -8.764 1.00 0.00 H new ATOM 0 HE ARG A 93 10.315 -16.054 -8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.770 -13.419 -7.055 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.851 -14.352 -6.015 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.102 -17.392 -7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.043 -16.643 -6.362 1.00 0.00 H new ATOM 1388 N THR A 94 7.482 -12.390 -8.424 1.00 0.00 N ATOM 1389 CA THR A 94 7.376 -12.387 -6.932 1.00 0.00 C ATOM 1390 C THR A 94 7.119 -13.793 -6.406 1.00 0.00 C ATOM 1391 O THR A 94 7.084 -14.684 -7.237 1.00 0.00 O ATOM 1392 CB THR A 94 6.205 -11.480 -6.524 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.740 -10.910 -7.732 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.703 -10.278 -5.687 1.00 0.00 C ATOM 1395 OXT THR A 94 6.970 -13.900 -5.200 1.00 0.00 O ATOM 0 H THR A 94 6.665 -12.748 -8.918 1.00 0.00 H new ATOM 0 HA THR A 94 8.313 -12.022 -6.511 1.00 0.00 H new ATOM 0 HB THR A 94 5.469 -12.054 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.984 -10.315 -7.543 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.855 -9.651 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.195 -10.642 -4.785 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.410 -9.693 -6.275 1.00 0.00 H new