USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 425 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 10 CYS SG : rot 180:sc= -5.34! USER MOD Single : A 11 GLN : amide:sc= 0.123 K(o=0.12,f=-0.63) USER MOD Single : A 15 SER OG : rot 180:sc= -0.592 USER MOD Single : A 16 TYR OH : rot 42:sc= -2.46! USER MOD Single : A 19 GLN : amide:sc= -0.457 K(o=-0.46,f=-3.1!) USER MOD Single : A 20 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.39) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -161:sc= -4.71! USER MOD Single : A 53 MET CE :methyl -157:sc= -3.29 (180deg=-4.27!) USER MOD Single : A 56 SER OG : rot 162:sc= 1.25 USER MOD Single : A 57 ASN : amide:sc= -0.027 X(o=-0.027,f=-0.16) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -7.420 -6.123 0.771 1.00 0.00 N ATOM 67 CA ARG A 8 -6.605 -6.155 1.973 1.00 0.00 C ATOM 68 C ARG A 8 -6.056 -4.760 2.280 1.00 0.00 C ATOM 69 O ARG A 8 -5.658 -4.032 1.372 1.00 0.00 O ATOM 70 CB ARG A 8 -5.438 -7.133 1.821 1.00 0.00 C ATOM 71 CG ARG A 8 -5.924 -8.492 1.314 1.00 0.00 C ATOM 72 CD ARG A 8 -4.745 -9.428 1.038 1.00 0.00 C ATOM 73 NE ARG A 8 -5.125 -10.825 1.347 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.360 -11.283 2.583 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.257 -10.459 3.635 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.699 -12.566 2.769 1.00 0.00 N ATOM 0 HA ARG A 8 -7.239 -6.488 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.704 -6.723 1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.936 -7.257 2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.587 -8.944 2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.507 -8.357 0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.442 -9.347 -0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.887 -9.134 1.642 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.213 -11.480 0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.999 -9.482 3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.436 -10.809 4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.778 -13.194 1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.878 -12.915 3.711 1.00 0.00 H new ATOM 90 N ARG A 9 -6.052 -4.430 3.563 1.00 0.00 N ATOM 91 CA ARG A 9 -5.559 -3.136 4.001 1.00 0.00 C ATOM 92 C ARG A 9 -4.180 -3.284 4.649 1.00 0.00 C ATOM 93 O ARG A 9 -3.919 -4.267 5.341 1.00 0.00 O ATOM 94 CB ARG A 9 -6.518 -2.490 5.003 1.00 0.00 C ATOM 95 CG ARG A 9 -7.523 -1.581 4.292 1.00 0.00 C ATOM 96 CD ARG A 9 -8.808 -1.440 5.110 1.00 0.00 C ATOM 97 NE ARG A 9 -9.862 -0.802 4.290 1.00 0.00 N ATOM 98 CZ ARG A 9 -11.116 -0.587 4.713 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.479 -0.957 5.948 1.00 0.00 N ATOM 100 NH2 ARG A 9 -12.006 -0.001 3.900 1.00 0.00 N ATOM 0 H ARG A 9 -6.382 -5.037 4.313 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.485 -2.496 3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.050 -3.265 5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.952 -1.911 5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.080 -0.598 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.756 -1.990 3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.143 -2.420 5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.618 -0.843 6.002 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.619 -0.507 3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.801 -1.402 6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.433 -0.793 6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.729 0.281 2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.960 0.163 4.222 1.00 0.00 H new ATOM 114 N CYS A 10 -3.335 -2.294 4.401 1.00 0.00 N ATOM 115 CA CYS A 10 -1.991 -2.303 4.952 1.00 0.00 C ATOM 116 C CYS A 10 -1.623 -0.870 5.344 1.00 0.00 C ATOM 117 O CYS A 10 -2.032 0.083 4.683 1.00 0.00 O ATOM 118 CB CYS A 10 -0.982 -2.902 3.970 1.00 0.00 C ATOM 119 SG CYS A 10 -1.717 -4.346 3.120 1.00 0.00 S ATOM 0 H CYS A 10 -3.555 -1.481 3.826 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.962 -2.940 5.836 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.685 -2.151 3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.079 -3.203 4.502 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.853 -4.846 2.287 1.00 0.00 H new ATOM 125 N GLN A 11 -0.856 -0.764 6.419 1.00 0.00 N ATOM 126 CA GLN A 11 -0.429 0.536 6.908 1.00 0.00 C ATOM 127 C GLN A 11 1.009 0.822 6.469 1.00 0.00 C ATOM 128 O GLN A 11 1.884 -0.032 6.604 1.00 0.00 O ATOM 129 CB GLN A 11 -0.565 0.622 8.429 1.00 0.00 C ATOM 130 CG GLN A 11 -0.672 2.078 8.889 1.00 0.00 C ATOM 131 CD GLN A 11 -1.438 2.181 10.209 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.549 1.232 10.968 1.00 0.00 O ATOM 133 NE2 GLN A 11 -1.957 3.383 10.441 1.00 0.00 N ATOM 0 H GLN A 11 -0.519 -1.557 6.965 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.079 1.296 6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.448 0.070 8.750 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.296 0.150 8.902 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.326 2.499 9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.177 2.669 8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.827 4.134 9.763 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.485 3.554 11.297 1.00 0.00 H new ATOM 142 N VAL A 12 1.208 2.026 5.954 1.00 0.00 N ATOM 143 CA VAL A 12 2.525 2.435 5.495 1.00 0.00 C ATOM 144 C VAL A 12 3.440 2.642 6.703 1.00 0.00 C ATOM 145 O VAL A 12 3.120 3.416 7.604 1.00 0.00 O ATOM 146 CB VAL A 12 2.409 3.680 4.613 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.783 4.302 4.358 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.701 3.356 3.296 1.00 0.00 C ATOM 0 H VAL A 12 0.480 2.732 5.844 1.00 0.00 H new ATOM 0 HA VAL A 12 2.973 1.656 4.878 1.00 0.00 H new ATOM 0 HB VAL A 12 1.804 4.413 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.672 5.185 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.235 4.588 5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.423 3.577 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.632 4.258 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.267 2.597 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.699 2.981 3.504 1.00 0.00 H new ATOM 158 N ALA A 13 4.561 1.935 6.684 1.00 0.00 N ATOM 159 CA ALA A 13 5.525 2.031 7.767 1.00 0.00 C ATOM 160 C ALA A 13 6.646 2.991 7.363 1.00 0.00 C ATOM 161 O ALA A 13 7.395 3.469 8.213 1.00 0.00 O ATOM 162 CB ALA A 13 6.048 0.635 8.111 1.00 0.00 C ATOM 0 H ALA A 13 4.823 1.293 5.936 1.00 0.00 H new ATOM 0 HA ALA A 13 5.055 2.433 8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.771 0.707 8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.217 0.001 8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.529 0.201 7.235 1.00 0.00 H new ATOM 168 N PHE A 14 6.726 3.243 6.064 1.00 0.00 N ATOM 169 CA PHE A 14 7.743 4.137 5.537 1.00 0.00 C ATOM 170 C PHE A 14 7.174 5.018 4.423 1.00 0.00 C ATOM 171 O PHE A 14 6.433 4.540 3.566 1.00 0.00 O ATOM 172 CB PHE A 14 8.854 3.258 4.959 1.00 0.00 C ATOM 173 CG PHE A 14 9.346 2.169 5.914 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.562 1.090 6.177 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.569 2.280 6.499 1.00 0.00 C ATOM 176 CE1 PHE A 14 9.019 0.079 7.063 1.00 0.00 C ATOM 177 CE2 PHE A 14 11.026 1.269 7.385 1.00 0.00 C ATOM 178 CZ PHE A 14 10.241 0.189 7.648 1.00 0.00 C ATOM 0 H PHE A 14 6.103 2.844 5.362 1.00 0.00 H new ATOM 0 HA PHE A 14 8.111 4.790 6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.493 2.788 4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.697 3.891 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.591 1.002 5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.192 3.137 6.290 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.395 -0.778 7.272 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.997 1.357 7.850 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.589 -0.580 8.321 1.00 0.00 H new ATOM 188 N SER A 15 7.543 6.290 4.472 1.00 0.00 N ATOM 189 CA SER A 15 7.078 7.243 3.478 1.00 0.00 C ATOM 190 C SER A 15 7.836 7.039 2.165 1.00 0.00 C ATOM 191 O SER A 15 9.058 6.896 2.164 1.00 0.00 O ATOM 192 CB SER A 15 7.249 8.681 3.972 1.00 0.00 C ATOM 193 OG SER A 15 6.310 9.009 4.992 1.00 0.00 O ATOM 0 H SER A 15 8.158 6.683 5.184 1.00 0.00 H new ATOM 0 HA SER A 15 6.015 7.070 3.308 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.261 8.815 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.130 9.369 3.135 1.00 0.00 H new ATOM 0 HG SER A 15 6.452 9.934 5.282 1.00 0.00 H new ATOM 199 N TYR A 16 7.079 7.032 1.077 1.00 0.00 N ATOM 200 CA TYR A 16 7.664 6.849 -0.240 1.00 0.00 C ATOM 201 C TYR A 16 7.147 7.903 -1.222 1.00 0.00 C ATOM 202 O TYR A 16 5.954 7.950 -1.515 1.00 0.00 O ATOM 203 CB TYR A 16 7.213 5.465 -0.713 1.00 0.00 C ATOM 204 CG TYR A 16 7.576 5.155 -2.167 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.782 5.629 -3.191 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.696 4.402 -2.453 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.123 5.338 -4.560 1.00 0.00 C ATOM 208 CE2 TYR A 16 9.037 4.110 -3.822 1.00 0.00 C ATOM 209 CZ TYR A 16 8.233 4.593 -4.807 1.00 0.00 C ATOM 210 OH TYR A 16 8.555 4.317 -6.100 1.00 0.00 O ATOM 0 H TYR A 16 6.066 7.150 1.081 1.00 0.00 H new ATOM 0 HA TYR A 16 8.749 6.943 -0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.660 4.708 -0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.132 5.386 -0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.905 6.218 -2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.317 4.031 -1.651 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.511 5.703 -5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.911 3.521 -4.060 1.00 0.00 H new ATOM 0 HH TYR A 16 8.428 5.120 -6.647 1.00 0.00 H new ATOM 220 N LEU A 17 8.072 8.722 -1.701 1.00 0.00 N ATOM 221 CA LEU A 17 7.725 9.772 -2.643 1.00 0.00 C ATOM 222 C LEU A 17 7.751 9.207 -4.064 1.00 0.00 C ATOM 223 O LEU A 17 8.742 8.606 -4.478 1.00 0.00 O ATOM 224 CB LEU A 17 8.632 10.989 -2.448 1.00 0.00 C ATOM 225 CG LEU A 17 8.558 11.668 -1.080 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.232 12.410 -0.907 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.803 10.662 0.047 1.00 0.00 C ATOM 0 H LEU A 17 9.061 8.680 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 17 6.711 10.127 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.663 10.681 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.386 11.727 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 17 9.353 12.412 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.206 12.884 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.138 13.172 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.406 11.704 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.745 11.172 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.047 9.878 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.792 10.219 -0.069 1.00 0.00 H new ATOM 239 N PRO A 18 6.623 9.424 -4.791 1.00 0.00 N ATOM 240 CA PRO A 18 6.508 8.943 -6.157 1.00 0.00 C ATOM 241 C PRO A 18 7.332 9.806 -7.114 1.00 0.00 C ATOM 242 O PRO A 18 7.052 10.992 -7.284 1.00 0.00 O ATOM 243 CB PRO A 18 5.019 8.974 -6.462 1.00 0.00 C ATOM 244 CG PRO A 18 4.402 9.904 -5.430 1.00 0.00 C ATOM 245 CD PRO A 18 5.431 10.132 -4.334 1.00 0.00 C ATOM 0 HA PRO A 18 6.906 7.936 -6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.835 9.336 -7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.586 7.976 -6.397 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.118 10.850 -5.890 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.494 9.466 -5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.631 11.194 -4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.083 9.744 -3.377 1.00 0.00 H new ATOM 253 N GLN A 19 8.332 9.178 -7.715 1.00 0.00 N ATOM 254 CA GLN A 19 9.199 9.874 -8.650 1.00 0.00 C ATOM 255 C GLN A 19 8.496 10.048 -9.998 1.00 0.00 C ATOM 256 O GLN A 19 9.078 10.579 -10.942 1.00 0.00 O ATOM 257 CB GLN A 19 10.530 9.138 -8.817 1.00 0.00 C ATOM 258 CG GLN A 19 11.027 8.593 -7.477 1.00 0.00 C ATOM 259 CD GLN A 19 12.451 9.072 -7.185 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.083 9.745 -7.983 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.919 8.688 -6.001 1.00 0.00 N ATOM 0 H GLN A 19 8.561 8.194 -7.572 1.00 0.00 H new ATOM 0 HA GLN A 19 9.417 10.862 -8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.410 8.318 -9.525 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.274 9.815 -9.237 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.360 8.917 -6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.002 7.503 -7.491 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.337 8.125 -5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.860 8.956 -5.713 1.00 0.00 H new ATOM 270 N ASN A 20 7.253 9.591 -10.043 1.00 0.00 N ATOM 271 CA ASN A 20 6.464 9.689 -11.259 1.00 0.00 C ATOM 272 C ASN A 20 5.027 10.074 -10.900 1.00 0.00 C ATOM 273 O ASN A 20 4.669 10.123 -9.724 1.00 0.00 O ATOM 274 CB ASN A 20 6.424 8.351 -12.000 1.00 0.00 C ATOM 275 CG ASN A 20 7.836 7.870 -12.340 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.656 8.599 -12.872 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.072 6.605 -12.005 1.00 0.00 N ATOM 0 H ASN A 20 6.773 9.152 -9.257 1.00 0.00 H new ATOM 0 HA ASN A 20 6.924 10.442 -11.899 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.920 7.605 -11.385 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.841 8.455 -12.915 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.985 6.190 -12.191 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.340 6.050 -11.562 1.00 0.00 H new ATOM 284 N ASP A 21 4.242 10.336 -11.935 1.00 0.00 N ATOM 285 CA ASP A 21 2.853 10.715 -11.743 1.00 0.00 C ATOM 286 C ASP A 21 1.963 9.484 -11.929 1.00 0.00 C ATOM 287 O ASP A 21 0.819 9.601 -12.366 1.00 0.00 O ATOM 288 CB ASP A 21 2.422 11.768 -12.766 1.00 0.00 C ATOM 289 CG ASP A 21 1.231 12.631 -12.345 1.00 0.00 C ATOM 290 OD1 ASP A 21 1.423 13.449 -11.419 1.00 0.00 O ATOM 291 OD2 ASP A 21 0.157 12.453 -12.957 1.00 0.00 O ATOM 0 H ASP A 21 4.542 10.293 -12.909 1.00 0.00 H new ATOM 0 HA ASP A 21 2.752 11.126 -10.738 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.270 12.421 -12.971 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.174 11.265 -13.700 1.00 0.00 H new ATOM 296 N ASP A 22 2.521 8.332 -11.586 1.00 0.00 N ATOM 297 CA ASP A 22 1.793 7.081 -11.710 1.00 0.00 C ATOM 298 C ASP A 22 2.143 6.174 -10.529 1.00 0.00 C ATOM 299 O ASP A 22 1.879 4.973 -10.565 1.00 0.00 O ATOM 300 CB ASP A 22 2.172 6.348 -12.998 1.00 0.00 C ATOM 301 CG ASP A 22 0.988 5.852 -13.831 1.00 0.00 C ATOM 302 OD1 ASP A 22 0.112 6.692 -14.129 1.00 0.00 O ATOM 303 OD2 ASP A 22 0.987 4.643 -14.152 1.00 0.00 O ATOM 0 H ASP A 22 3.469 8.239 -11.222 1.00 0.00 H new ATOM 0 HA ASP A 22 0.728 7.311 -11.727 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.776 7.015 -13.613 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.800 5.495 -12.742 1.00 0.00 H new ATOM 308 N GLU A 23 2.732 6.783 -9.510 1.00 0.00 N ATOM 309 CA GLU A 23 3.120 6.045 -8.320 1.00 0.00 C ATOM 310 C GLU A 23 2.327 6.536 -7.108 1.00 0.00 C ATOM 311 O GLU A 23 1.749 7.622 -7.138 1.00 0.00 O ATOM 312 CB GLU A 23 4.626 6.158 -8.073 1.00 0.00 C ATOM 313 CG GLU A 23 5.379 5.004 -8.739 1.00 0.00 C ATOM 314 CD GLU A 23 6.569 4.561 -7.886 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.313 3.911 -6.850 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.708 4.883 -8.289 1.00 0.00 O ATOM 0 H GLU A 23 2.950 7.779 -9.484 1.00 0.00 H new ATOM 0 HA GLU A 23 2.888 4.992 -8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.992 7.108 -8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.824 6.155 -7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.702 4.163 -8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.728 5.313 -9.724 1.00 0.00 H new ATOM 323 N LEU A 24 2.324 5.713 -6.069 1.00 0.00 N ATOM 324 CA LEU A 24 1.611 6.050 -4.849 1.00 0.00 C ATOM 325 C LEU A 24 2.583 6.690 -3.856 1.00 0.00 C ATOM 326 O LEU A 24 3.750 6.308 -3.790 1.00 0.00 O ATOM 327 CB LEU A 24 0.886 4.822 -4.296 1.00 0.00 C ATOM 328 CG LEU A 24 -0.329 4.344 -5.094 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.137 3.316 -4.299 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.189 5.526 -5.544 1.00 0.00 C ATOM 0 H LEU A 24 2.804 4.813 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 24 0.833 6.786 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.600 4.001 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.563 5.043 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 24 0.028 3.845 -5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.995 2.993 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.508 2.456 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.485 3.767 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.046 5.158 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.539 6.075 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.596 6.188 -6.174 1.00 0.00 H new ATOM 342 N GLU A 25 2.066 7.653 -3.107 1.00 0.00 N ATOM 343 CA GLU A 25 2.874 8.349 -2.121 1.00 0.00 C ATOM 344 C GLU A 25 2.622 7.772 -0.726 1.00 0.00 C ATOM 345 O GLU A 25 1.627 8.104 -0.083 1.00 0.00 O ATOM 346 CB GLU A 25 2.598 9.854 -2.149 1.00 0.00 C ATOM 347 CG GLU A 25 3.390 10.578 -1.059 1.00 0.00 C ATOM 348 CD GLU A 25 3.005 12.057 -0.992 1.00 0.00 C ATOM 349 OE1 GLU A 25 3.223 12.747 -2.011 1.00 0.00 O ATOM 350 OE2 GLU A 25 2.502 12.464 0.078 1.00 0.00 O ATOM 0 H GLU A 25 1.097 7.967 -3.163 1.00 0.00 H new ATOM 0 HA GLU A 25 3.925 8.201 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.864 10.258 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.532 10.034 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.203 10.106 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.458 10.485 -1.258 1.00 0.00 H new ATOM 357 N LEU A 26 3.541 6.918 -0.299 1.00 0.00 N ATOM 358 CA LEU A 26 3.431 6.292 1.007 1.00 0.00 C ATOM 359 C LEU A 26 3.749 7.324 2.091 1.00 0.00 C ATOM 360 O LEU A 26 4.694 8.100 1.956 1.00 0.00 O ATOM 361 CB LEU A 26 4.307 5.039 1.076 1.00 0.00 C ATOM 362 CG LEU A 26 4.186 4.071 -0.103 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.249 2.974 -0.023 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.772 3.494 -0.196 1.00 0.00 C ATOM 0 H LEU A 26 4.365 6.645 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 26 2.411 5.950 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.348 5.352 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.063 4.499 1.991 1.00 0.00 H new ATOM 0 HG LEU A 26 4.367 4.628 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.141 2.300 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.241 3.426 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.124 2.413 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.713 2.809 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.537 2.956 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.057 4.305 -0.335 1.00 0.00 H new ATOM 376 N LYS A 27 2.942 7.300 3.141 1.00 0.00 N ATOM 377 CA LYS A 27 3.125 8.224 4.248 1.00 0.00 C ATOM 378 C LYS A 27 2.835 7.501 5.564 1.00 0.00 C ATOM 379 O LYS A 27 1.706 7.078 5.809 1.00 0.00 O ATOM 380 CB LYS A 27 2.281 9.483 4.039 1.00 0.00 C ATOM 381 CG LYS A 27 3.129 10.623 3.471 1.00 0.00 C ATOM 382 CD LYS A 27 3.189 11.801 4.446 1.00 0.00 C ATOM 383 CE LYS A 27 4.550 12.498 4.380 1.00 0.00 C ATOM 384 NZ LYS A 27 4.414 13.842 3.776 1.00 0.00 N ATOM 0 H LYS A 27 2.159 6.655 3.249 1.00 0.00 H new ATOM 0 HA LYS A 27 4.159 8.565 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.457 9.264 3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.839 9.791 4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.138 10.264 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.710 10.954 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.399 12.514 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.006 11.448 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.970 12.584 5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.245 11.897 3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.346 14.302 3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.033 13.753 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.767 14.418 4.352 1.00 0.00 H new ATOM 398 N VAL A 28 3.875 7.379 6.377 1.00 0.00 N ATOM 399 CA VAL A 28 3.746 6.714 7.662 1.00 0.00 C ATOM 400 C VAL A 28 2.365 7.012 8.250 1.00 0.00 C ATOM 401 O VAL A 28 2.110 8.122 8.715 1.00 0.00 O ATOM 402 CB VAL A 28 4.891 7.134 8.586 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.760 6.470 9.958 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.249 6.822 7.953 1.00 0.00 C ATOM 0 H VAL A 28 4.810 7.730 6.170 1.00 0.00 H new ATOM 0 HA VAL A 28 3.822 5.633 7.541 1.00 0.00 H new ATOM 0 HB VAL A 28 4.828 8.213 8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.586 6.785 10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.816 6.764 10.416 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.785 5.387 9.842 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.046 7.130 8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.326 5.751 7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.344 7.362 7.011 1.00 0.00 H new ATOM 414 N GLY A 29 1.509 6.001 8.209 1.00 0.00 N ATOM 415 CA GLY A 29 0.161 6.140 8.732 1.00 0.00 C ATOM 416 C GLY A 29 -0.879 5.882 7.640 1.00 0.00 C ATOM 417 O GLY A 29 -1.933 5.304 7.905 1.00 0.00 O ATOM 0 H GLY A 29 1.723 5.082 7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.012 5.440 9.554 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.026 7.142 9.138 1.00 0.00 H new ATOM 421 N ASP A 30 -0.548 6.323 6.435 1.00 0.00 N ATOM 422 CA ASP A 30 -1.440 6.147 5.302 1.00 0.00 C ATOM 423 C ASP A 30 -1.813 4.669 5.176 1.00 0.00 C ATOM 424 O ASP A 30 -1.009 3.793 5.493 1.00 0.00 O ATOM 425 CB ASP A 30 -0.766 6.577 3.998 1.00 0.00 C ATOM 426 CG ASP A 30 -0.568 8.086 3.839 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.481 8.760 4.888 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.508 8.531 2.672 1.00 0.00 O ATOM 0 H ASP A 30 0.326 6.802 6.219 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.324 6.762 5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.206 6.089 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.363 6.214 3.161 1.00 0.00 H new ATOM 433 N ILE A 31 -3.032 4.436 4.713 1.00 0.00 N ATOM 434 CA ILE A 31 -3.521 3.078 4.542 1.00 0.00 C ATOM 435 C ILE A 31 -3.920 2.865 3.080 1.00 0.00 C ATOM 436 O ILE A 31 -4.796 3.559 2.565 1.00 0.00 O ATOM 437 CB ILE A 31 -4.647 2.785 5.536 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.243 3.186 6.956 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.081 1.320 5.456 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.385 2.935 7.942 1.00 0.00 C ATOM 0 H ILE A 31 -3.696 5.165 4.451 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.734 2.358 4.766 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.510 3.392 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.363 2.620 7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.966 4.240 6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.882 1.138 6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.437 1.101 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.233 0.676 5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.072 3.228 8.944 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.255 3.521 7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.643 1.876 7.938 1.00 0.00 H new ATOM 452 N ILE A 32 -3.259 1.903 2.454 1.00 0.00 N ATOM 453 CA ILE A 32 -3.533 1.591 1.062 1.00 0.00 C ATOM 454 C ILE A 32 -4.377 0.316 0.987 1.00 0.00 C ATOM 455 O ILE A 32 -4.015 -0.707 1.565 1.00 0.00 O ATOM 456 CB ILE A 32 -2.231 1.513 0.263 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.656 2.909 0.015 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.432 0.737 -1.040 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.178 2.970 0.404 1.00 0.00 C ATOM 0 H ILE A 32 -2.534 1.329 2.885 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.115 2.389 0.601 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.500 0.963 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.770 3.172 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.218 3.645 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.491 0.697 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.763 -0.276 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.185 1.237 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.206 3.973 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.070 2.731 1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.385 2.250 -0.190 1.00 0.00 H new ATOM 471 N GLU A 33 -5.487 0.421 0.270 1.00 0.00 N ATOM 472 CA GLU A 33 -6.385 -0.710 0.112 1.00 0.00 C ATOM 473 C GLU A 33 -5.876 -1.643 -0.988 1.00 0.00 C ATOM 474 O GLU A 33 -6.229 -1.483 -2.156 1.00 0.00 O ATOM 475 CB GLU A 33 -7.811 -0.241 -0.183 1.00 0.00 C ATOM 476 CG GLU A 33 -8.717 -0.439 1.034 1.00 0.00 C ATOM 477 CD GLU A 33 -10.189 -0.481 0.621 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.556 -1.451 -0.076 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.915 0.459 1.011 1.00 0.00 O ATOM 0 H GLU A 33 -5.784 1.272 -0.208 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.407 -1.265 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.800 0.812 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.211 -0.795 -1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.452 -1.366 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.558 0.371 1.746 1.00 0.00 H new ATOM 486 N VAL A 34 -5.053 -2.597 -0.578 1.00 0.00 N ATOM 487 CA VAL A 34 -4.491 -3.555 -1.514 1.00 0.00 C ATOM 488 C VAL A 34 -5.606 -4.098 -2.411 1.00 0.00 C ATOM 489 O VAL A 34 -6.502 -4.796 -1.940 1.00 0.00 O ATOM 490 CB VAL A 34 -3.746 -4.655 -0.754 1.00 0.00 C ATOM 491 CG1 VAL A 34 -2.953 -5.544 -1.714 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.835 -4.058 0.320 1.00 0.00 C ATOM 0 H VAL A 34 -4.762 -2.727 0.391 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.758 -3.073 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.487 -5.279 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.433 -6.317 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.635 -6.011 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.225 -4.938 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.317 -4.861 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.103 -3.400 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.434 -3.488 1.030 1.00 0.00 H new ATOM 502 N VAL A 35 -5.513 -3.757 -3.688 1.00 0.00 N ATOM 503 CA VAL A 35 -6.502 -4.201 -4.655 1.00 0.00 C ATOM 504 C VAL A 35 -5.992 -5.462 -5.357 1.00 0.00 C ATOM 505 O VAL A 35 -6.753 -6.401 -5.585 1.00 0.00 O ATOM 506 CB VAL A 35 -6.830 -3.067 -5.628 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.500 -1.899 -4.901 1.00 0.00 C ATOM 508 CG2 VAL A 35 -5.576 -2.602 -6.371 1.00 0.00 C ATOM 0 H VAL A 35 -4.768 -3.178 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.435 -4.461 -4.155 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.534 -3.452 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.723 -1.106 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.426 -2.241 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.829 -1.517 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.837 -1.795 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.839 -2.243 -5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.157 -3.436 -6.935 1.00 0.00 H new ATOM 518 N GLY A 36 -4.707 -5.441 -5.681 1.00 0.00 N ATOM 519 CA GLY A 36 -4.087 -6.570 -6.353 1.00 0.00 C ATOM 520 C GLY A 36 -2.575 -6.587 -6.116 1.00 0.00 C ATOM 521 O GLY A 36 -2.117 -6.372 -4.995 1.00 0.00 O ATOM 0 H GLY A 36 -4.079 -4.660 -5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.526 -7.499 -5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.290 -6.518 -7.423 1.00 0.00 H new ATOM 525 N GLU A 37 -1.843 -6.843 -7.190 1.00 0.00 N ATOM 526 CA GLU A 37 -0.393 -6.890 -7.112 1.00 0.00 C ATOM 527 C GLU A 37 0.222 -6.589 -8.481 1.00 0.00 C ATOM 528 O GLU A 37 -0.225 -7.120 -9.496 1.00 0.00 O ATOM 529 CB GLU A 37 0.085 -8.244 -6.583 1.00 0.00 C ATOM 530 CG GLU A 37 1.576 -8.446 -6.859 1.00 0.00 C ATOM 531 CD GLU A 37 1.792 -9.396 -8.039 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.726 -10.621 -7.800 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.018 -8.876 -9.152 1.00 0.00 O ATOM 0 H GLU A 37 -2.227 -7.020 -8.118 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.062 -6.125 -6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.101 -8.306 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.487 -9.044 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.044 -7.485 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.063 -8.848 -5.970 1.00 0.00 H new ATOM 540 N VAL A 38 1.237 -5.737 -8.464 1.00 0.00 N ATOM 541 CA VAL A 38 1.917 -5.359 -9.691 1.00 0.00 C ATOM 542 C VAL A 38 2.989 -6.401 -10.016 1.00 0.00 C ATOM 543 O VAL A 38 2.823 -7.201 -10.935 1.00 0.00 O ATOM 544 CB VAL A 38 2.480 -3.942 -9.561 1.00 0.00 C ATOM 545 CG1 VAL A 38 3.003 -3.435 -10.907 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.433 -2.987 -8.985 1.00 0.00 C ATOM 0 H VAL A 38 1.605 -5.298 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 38 1.217 -5.341 -10.527 1.00 0.00 H new ATOM 0 HB VAL A 38 3.319 -3.977 -8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.398 -2.426 -10.787 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.795 -4.095 -11.261 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.189 -3.423 -11.632 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.859 -1.987 -8.903 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.565 -2.959 -9.643 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.128 -3.334 -7.998 1.00 0.00 H new ATOM 556 N GLU A 39 4.066 -6.357 -9.245 1.00 0.00 N ATOM 557 CA GLU A 39 5.165 -7.287 -9.440 1.00 0.00 C ATOM 558 C GLU A 39 5.786 -7.664 -8.093 1.00 0.00 C ATOM 559 O GLU A 39 5.430 -7.098 -7.061 1.00 0.00 O ATOM 560 CB GLU A 39 6.217 -6.702 -10.384 1.00 0.00 C ATOM 561 CG GLU A 39 6.950 -5.529 -9.729 1.00 0.00 C ATOM 562 CD GLU A 39 8.277 -5.247 -10.437 1.00 0.00 C ATOM 563 OE1 GLU A 39 9.168 -6.118 -10.340 1.00 0.00 O ATOM 564 OE2 GLU A 39 8.369 -4.168 -11.061 1.00 0.00 O ATOM 0 H GLU A 39 4.201 -5.691 -8.484 1.00 0.00 H new ATOM 0 HA GLU A 39 4.772 -8.192 -9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.934 -7.475 -10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.739 -6.368 -11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.321 -4.639 -9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.135 -5.752 -8.678 1.00 0.00 H new ATOM 571 N GLU A 40 6.703 -8.619 -8.148 1.00 0.00 N ATOM 572 CA GLU A 40 7.376 -9.079 -6.945 1.00 0.00 C ATOM 573 C GLU A 40 7.947 -7.891 -6.169 1.00 0.00 C ATOM 574 O GLU A 40 8.837 -7.196 -6.657 1.00 0.00 O ATOM 575 CB GLU A 40 8.473 -10.091 -7.284 1.00 0.00 C ATOM 576 CG GLU A 40 8.876 -10.897 -6.048 1.00 0.00 C ATOM 577 CD GLU A 40 10.393 -10.875 -5.849 1.00 0.00 C ATOM 578 OE1 GLU A 40 11.060 -11.729 -6.471 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.851 -10.003 -5.079 1.00 0.00 O ATOM 0 H GLU A 40 6.995 -9.086 -9.006 1.00 0.00 H new ATOM 0 HA GLU A 40 6.645 -9.583 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.121 -10.766 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.343 -9.570 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.384 -10.487 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.534 -11.927 -6.154 1.00 0.00 H new ATOM 586 N GLY A 41 7.412 -7.694 -4.973 1.00 0.00 N ATOM 587 CA GLY A 41 7.858 -6.602 -4.125 1.00 0.00 C ATOM 588 C GLY A 41 7.032 -5.338 -4.379 1.00 0.00 C ATOM 589 O GLY A 41 7.174 -4.346 -3.666 1.00 0.00 O ATOM 0 H GLY A 41 6.674 -8.272 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.773 -6.892 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.912 -6.397 -4.314 1.00 0.00 H new ATOM 593 N TRP A 42 6.188 -5.417 -5.397 1.00 0.00 N ATOM 594 CA TRP A 42 5.340 -4.292 -5.754 1.00 0.00 C ATOM 595 C TRP A 42 3.888 -4.774 -5.749 1.00 0.00 C ATOM 596 O TRP A 42 3.569 -5.801 -6.347 1.00 0.00 O ATOM 597 CB TRP A 42 5.765 -3.689 -7.094 1.00 0.00 C ATOM 598 CG TRP A 42 7.089 -2.924 -7.040 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.332 -3.422 -7.078 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.251 -1.493 -6.937 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.280 -2.422 -7.007 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.602 -1.212 -6.919 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.289 -0.471 -6.863 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.113 0.088 -6.826 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.816 0.823 -6.770 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.173 1.123 -6.750 1.00 0.00 C ATOM 0 H TRP A 42 6.073 -6.242 -5.986 1.00 0.00 H new ATOM 0 HA TRP A 42 5.442 -3.486 -5.027 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.849 -4.488 -7.830 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.982 -3.016 -7.442 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.563 -4.474 -7.155 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.292 -2.548 -7.017 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.227 -0.668 -6.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.175 0.282 -6.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.119 1.646 -6.710 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.501 2.149 -6.676 1.00 0.00 H new ATOM 617 N TRP A 43 3.047 -4.011 -5.067 1.00 0.00 N ATOM 618 CA TRP A 43 1.636 -4.348 -4.976 1.00 0.00 C ATOM 619 C TRP A 43 0.832 -3.166 -5.521 1.00 0.00 C ATOM 620 O TRP A 43 1.399 -2.128 -5.858 1.00 0.00 O ATOM 621 CB TRP A 43 1.253 -4.721 -3.542 1.00 0.00 C ATOM 622 CG TRP A 43 1.758 -6.096 -3.101 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.267 -7.073 -3.865 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.784 -6.611 -1.753 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.617 -8.174 -3.111 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.313 -7.884 -1.786 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.372 -6.019 -0.545 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.481 -8.675 -0.642 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.546 -6.822 0.588 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.078 -8.106 0.572 1.00 0.00 C ATOM 0 H TRP A 43 3.315 -3.160 -4.572 1.00 0.00 H new ATOM 0 HA TRP A 43 1.410 -5.229 -5.576 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.648 -3.965 -2.863 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.167 -4.697 -3.449 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.388 -7.006 -4.936 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.024 -9.041 -3.461 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.955 -5.024 -0.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.899 -9.670 -0.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.246 -6.415 1.542 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.180 -8.662 1.492 1.00 0.00 H new ATOM 641 N GLU A 44 -0.476 -3.364 -5.592 1.00 0.00 N ATOM 642 CA GLU A 44 -1.364 -2.328 -6.091 1.00 0.00 C ATOM 643 C GLU A 44 -2.511 -2.093 -5.106 1.00 0.00 C ATOM 644 O GLU A 44 -3.167 -3.039 -4.674 1.00 0.00 O ATOM 645 CB GLU A 44 -1.898 -2.685 -7.480 1.00 0.00 C ATOM 646 CG GLU A 44 -2.338 -1.430 -8.237 1.00 0.00 C ATOM 647 CD GLU A 44 -1.622 -1.325 -9.585 1.00 0.00 C ATOM 648 OE1 GLU A 44 -2.098 -1.985 -10.534 1.00 0.00 O ATOM 649 OE2 GLU A 44 -0.615 -0.586 -9.637 1.00 0.00 O ATOM 0 H GLU A 44 -0.942 -4.227 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.795 -1.403 -6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.126 -3.205 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.740 -3.371 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.416 -1.455 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.124 -0.545 -7.637 1.00 0.00 H new ATOM 656 N GLY A 45 -2.719 -0.825 -4.781 1.00 0.00 N ATOM 657 CA GLY A 45 -3.776 -0.454 -3.855 1.00 0.00 C ATOM 658 C GLY A 45 -4.273 0.966 -4.132 1.00 0.00 C ATOM 659 O GLY A 45 -3.921 1.564 -5.148 1.00 0.00 O ATOM 0 H GLY A 45 -2.174 -0.042 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.605 -1.157 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.408 -0.521 -2.831 1.00 0.00 H new ATOM 663 N VAL A 46 -5.083 1.466 -3.211 1.00 0.00 N ATOM 664 CA VAL A 46 -5.632 2.804 -3.343 1.00 0.00 C ATOM 665 C VAL A 46 -5.175 3.658 -2.158 1.00 0.00 C ATOM 666 O VAL A 46 -5.210 3.207 -1.014 1.00 0.00 O ATOM 667 CB VAL A 46 -7.155 2.735 -3.477 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.802 4.062 -3.076 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.562 2.333 -4.896 1.00 0.00 C ATOM 0 H VAL A 46 -5.373 0.968 -2.369 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.260 3.280 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.517 1.967 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.884 3.985 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.553 4.290 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.431 4.858 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.649 2.291 -4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.182 3.068 -5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.146 1.353 -5.130 1.00 0.00 H new ATOM 679 N LEU A 47 -4.758 4.875 -2.472 1.00 0.00 N ATOM 680 CA LEU A 47 -4.295 5.795 -1.447 1.00 0.00 C ATOM 681 C LEU A 47 -5.265 6.974 -1.350 1.00 0.00 C ATOM 682 O LEU A 47 -5.047 8.015 -1.968 1.00 0.00 O ATOM 683 CB LEU A 47 -2.847 6.211 -1.716 1.00 0.00 C ATOM 684 CG LEU A 47 -2.241 7.208 -0.725 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.211 6.626 0.689 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.856 7.666 -1.186 1.00 0.00 C ATOM 0 H LEU A 47 -4.731 5.246 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.287 5.307 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.227 5.314 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.794 6.644 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.879 8.091 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.776 7.354 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.227 6.391 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.609 5.717 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.448 8.374 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.194 6.803 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.938 8.148 -2.160 1.00 0.00 H new ATOM 698 N ASN A 48 -6.317 6.771 -0.570 1.00 0.00 N ATOM 699 CA ASN A 48 -7.321 7.804 -0.384 1.00 0.00 C ATOM 700 C ASN A 48 -7.955 8.142 -1.735 1.00 0.00 C ATOM 701 O ASN A 48 -7.962 9.300 -2.149 1.00 0.00 O ATOM 702 CB ASN A 48 -6.698 9.083 0.179 1.00 0.00 C ATOM 703 CG ASN A 48 -6.817 9.126 1.704 1.00 0.00 C ATOM 704 OD1 ASN A 48 -7.873 9.372 2.264 1.00 0.00 O ATOM 705 ND2 ASN A 48 -5.678 8.874 2.342 1.00 0.00 N ATOM 0 H ASN A 48 -6.495 5.906 -0.060 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.066 7.427 0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.648 9.138 -0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.193 9.953 -0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.653 8.879 3.362 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.830 8.675 1.812 1.00 0.00 H new ATOM 712 N GLY A 49 -8.473 7.109 -2.384 1.00 0.00 N ATOM 713 CA GLY A 49 -9.108 7.282 -3.679 1.00 0.00 C ATOM 714 C GLY A 49 -8.091 7.134 -4.813 1.00 0.00 C ATOM 715 O GLY A 49 -8.432 6.673 -5.901 1.00 0.00 O ATOM 0 H GLY A 49 -8.466 6.150 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.902 6.545 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.575 8.266 -3.731 1.00 0.00 H new ATOM 719 N LYS A 50 -6.863 7.534 -4.518 1.00 0.00 N ATOM 720 CA LYS A 50 -5.794 7.451 -5.499 1.00 0.00 C ATOM 721 C LYS A 50 -5.462 5.981 -5.763 1.00 0.00 C ATOM 722 O LYS A 50 -6.005 5.091 -5.109 1.00 0.00 O ATOM 723 CB LYS A 50 -4.590 8.282 -5.051 1.00 0.00 C ATOM 724 CG LYS A 50 -3.908 8.949 -6.247 1.00 0.00 C ATOM 725 CD LYS A 50 -3.534 10.398 -5.927 1.00 0.00 C ATOM 726 CE LYS A 50 -2.156 10.746 -6.493 1.00 0.00 C ATOM 727 NZ LYS A 50 -1.171 10.903 -5.400 1.00 0.00 N ATOM 0 H LYS A 50 -6.584 7.916 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.114 7.881 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.913 9.043 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.876 7.643 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.012 8.390 -6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.573 8.923 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.283 11.071 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.536 10.548 -4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.828 9.962 -7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.216 11.668 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.241 11.139 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.477 11.667 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.101 10.014 -4.865 1.00 0.00 H new ATOM 741 N THR A 51 -4.572 5.771 -6.722 1.00 0.00 N ATOM 742 CA THR A 51 -4.162 4.424 -7.081 1.00 0.00 C ATOM 743 C THR A 51 -2.791 4.448 -7.761 1.00 0.00 C ATOM 744 O THR A 51 -2.443 5.419 -8.429 1.00 0.00 O ATOM 745 CB THR A 51 -5.261 3.811 -7.950 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.461 4.067 -7.225 1.00 0.00 O ATOM 747 CG2 THR A 51 -5.179 2.284 -8.007 1.00 0.00 C ATOM 0 H THR A 51 -4.123 6.511 -7.261 1.00 0.00 H new ATOM 0 HA THR A 51 -4.041 3.798 -6.197 1.00 0.00 H new ATOM 0 HB THR A 51 -5.193 4.216 -8.960 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.167 3.464 -7.538 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.982 1.900 -8.637 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.217 1.987 -8.424 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.280 1.876 -7.001 1.00 0.00 H new ATOM 755 N GLY A 52 -2.051 3.366 -7.566 1.00 0.00 N ATOM 756 CA GLY A 52 -0.727 3.250 -8.152 1.00 0.00 C ATOM 757 C GLY A 52 -0.014 1.993 -7.650 1.00 0.00 C ATOM 758 O GLY A 52 -0.626 1.142 -7.007 1.00 0.00 O ATOM 0 H GLY A 52 -2.344 2.562 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.808 3.217 -9.239 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.136 4.132 -7.903 1.00 0.00 H new ATOM 762 N MET A 53 1.272 1.916 -7.963 1.00 0.00 N ATOM 763 CA MET A 53 2.075 0.777 -7.552 1.00 0.00 C ATOM 764 C MET A 53 3.096 1.182 -6.487 1.00 0.00 C ATOM 765 O MET A 53 3.870 2.117 -6.687 1.00 0.00 O ATOM 766 CB MET A 53 2.805 0.202 -8.767 1.00 0.00 C ATOM 767 CG MET A 53 3.448 1.315 -9.597 1.00 0.00 C ATOM 768 SD MET A 53 4.492 0.609 -10.862 1.00 0.00 S ATOM 769 CE MET A 53 5.966 0.292 -9.906 1.00 0.00 C ATOM 0 H MET A 53 1.777 2.624 -8.496 1.00 0.00 H new ATOM 0 HA MET A 53 1.412 0.024 -7.125 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.571 -0.500 -8.437 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.104 -0.359 -9.385 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.674 1.932 -10.055 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.036 1.968 -8.952 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.828 0.243 -10.572 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.110 1.095 -9.183 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.861 -0.656 -9.379 1.00 0.00 H new ATOM 779 N PHE A 54 3.065 0.458 -5.378 1.00 0.00 N ATOM 780 CA PHE A 54 3.978 0.730 -4.281 1.00 0.00 C ATOM 781 C PHE A 54 4.659 -0.554 -3.803 1.00 0.00 C ATOM 782 O PHE A 54 4.135 -1.650 -3.999 1.00 0.00 O ATOM 783 CB PHE A 54 3.142 1.306 -3.136 1.00 0.00 C ATOM 784 CG PHE A 54 2.217 0.287 -2.467 1.00 0.00 C ATOM 785 CD1 PHE A 54 0.988 0.037 -2.994 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.623 -0.367 -1.346 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.129 -0.908 -2.373 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.764 -1.313 -0.726 1.00 0.00 C ATOM 789 CZ PHE A 54 0.535 -1.563 -1.252 1.00 0.00 C ATOM 0 H PHE A 54 2.422 -0.317 -5.215 1.00 0.00 H new ATOM 0 HA PHE A 54 4.755 1.422 -4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.812 1.722 -2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.541 2.131 -3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.666 0.557 -3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.598 -0.167 -0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.847 -1.107 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.087 -1.834 0.163 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.119 -2.281 -0.780 1.00 0.00 H new ATOM 799 N PRO A 55 5.848 -0.373 -3.169 1.00 0.00 N ATOM 800 CA PRO A 55 6.607 -1.503 -2.662 1.00 0.00 C ATOM 801 C PRO A 55 5.973 -2.061 -1.386 1.00 0.00 C ATOM 802 O PRO A 55 5.622 -1.305 -0.481 1.00 0.00 O ATOM 803 CB PRO A 55 8.012 -0.967 -2.442 1.00 0.00 C ATOM 804 CG PRO A 55 7.878 0.546 -2.390 1.00 0.00 C ATOM 805 CD PRO A 55 6.500 0.910 -2.919 1.00 0.00 C ATOM 0 HA PRO A 55 6.621 -2.345 -3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.437 -1.353 -1.516 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.677 -1.273 -3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.002 0.905 -1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.655 1.019 -2.991 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.942 1.503 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.570 1.503 -3.831 1.00 0.00 H new ATOM 813 N SER A 56 5.845 -3.379 -1.355 1.00 0.00 N ATOM 814 CA SER A 56 5.259 -4.047 -0.205 1.00 0.00 C ATOM 815 C SER A 56 6.349 -4.388 0.814 1.00 0.00 C ATOM 816 O SER A 56 6.119 -5.168 1.736 1.00 0.00 O ATOM 817 CB SER A 56 4.511 -5.314 -0.625 1.00 0.00 C ATOM 818 OG SER A 56 4.354 -6.226 0.458 1.00 0.00 O ATOM 0 H SER A 56 6.137 -4.003 -2.108 1.00 0.00 H new ATOM 0 HA SER A 56 4.540 -3.369 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.530 -5.043 -1.016 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.053 -5.803 -1.435 1.00 0.00 H new ATOM 0 HG SER A 56 3.643 -6.866 0.246 1.00 0.00 H new ATOM 824 N ASN A 57 7.511 -3.785 0.612 1.00 0.00 N ATOM 825 CA ASN A 57 8.637 -4.015 1.502 1.00 0.00 C ATOM 826 C ASN A 57 8.831 -2.791 2.399 1.00 0.00 C ATOM 827 O ASN A 57 9.885 -2.626 3.011 1.00 0.00 O ATOM 828 CB ASN A 57 9.929 -4.231 0.711 1.00 0.00 C ATOM 829 CG ASN A 57 10.583 -5.564 1.081 1.00 0.00 C ATOM 830 OD1 ASN A 57 10.655 -5.949 2.236 1.00 0.00 O ATOM 831 ND2 ASN A 57 11.053 -6.243 0.039 1.00 0.00 N ATOM 0 H ASN A 57 7.698 -3.138 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 57 8.423 -4.905 2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.713 -4.212 -0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.622 -3.414 0.910 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.507 -7.145 0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.959 -5.862 -0.902 1.00 0.00 H new ATOM 838 N PHE A 58 7.797 -1.963 2.448 1.00 0.00 N ATOM 839 CA PHE A 58 7.841 -0.759 3.260 1.00 0.00 C ATOM 840 C PHE A 58 6.485 -0.492 3.917 1.00 0.00 C ATOM 841 O PHE A 58 6.107 0.661 4.121 1.00 0.00 O ATOM 842 CB PHE A 58 8.177 0.401 2.321 1.00 0.00 C ATOM 843 CG PHE A 58 9.650 0.465 1.913 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.577 0.943 2.785 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.032 0.043 0.678 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.944 1.002 2.406 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.399 0.103 0.299 1.00 0.00 C ATOM 848 CZ PHE A 58 12.327 0.581 1.171 1.00 0.00 C ATOM 0 H PHE A 58 6.924 -2.103 1.939 1.00 0.00 H new ATOM 0 HA PHE A 58 8.583 -0.870 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.565 0.317 1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.904 1.338 2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.274 1.278 3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.296 -0.338 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.680 1.382 3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.702 -0.231 -0.682 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.367 0.626 0.883 1.00 0.00 H new ATOM 858 N ILE A 59 5.791 -1.576 4.229 1.00 0.00 N ATOM 859 CA ILE A 59 4.485 -1.473 4.859 1.00 0.00 C ATOM 860 C ILE A 59 4.347 -2.569 5.918 1.00 0.00 C ATOM 861 O ILE A 59 5.309 -3.275 6.216 1.00 0.00 O ATOM 862 CB ILE A 59 3.378 -1.494 3.804 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.595 -2.632 2.803 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.257 -0.136 3.109 1.00 0.00 C ATOM 865 CD1 ILE A 59 2.976 -3.935 3.312 1.00 0.00 C ATOM 0 H ILE A 59 6.108 -2.530 4.058 1.00 0.00 H new ATOM 0 HA ILE A 59 4.384 -0.517 5.374 1.00 0.00 H new ATOM 0 HB ILE A 59 2.430 -1.684 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.153 -2.366 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.662 -2.774 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.463 -0.178 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.022 0.631 3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.200 0.108 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.144 -4.727 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.437 -4.211 4.260 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.905 -3.797 3.457 1.00 0.00 H new ATOM 877 N LYS A 60 3.141 -2.678 6.456 1.00 0.00 N ATOM 878 CA LYS A 60 2.864 -3.677 7.475 1.00 0.00 C ATOM 879 C LYS A 60 1.387 -4.070 7.409 1.00 0.00 C ATOM 880 O LYS A 60 0.519 -3.314 7.843 1.00 0.00 O ATOM 881 CB LYS A 60 3.306 -3.175 8.851 1.00 0.00 C ATOM 882 CG LYS A 60 2.588 -1.874 9.217 1.00 0.00 C ATOM 883 CD LYS A 60 3.389 -1.076 10.248 1.00 0.00 C ATOM 884 CE LYS A 60 2.507 -0.664 11.428 1.00 0.00 C ATOM 885 NZ LYS A 60 2.938 0.647 11.963 1.00 0.00 N ATOM 0 H LYS A 60 2.345 -2.092 6.206 1.00 0.00 H new ATOM 0 HA LYS A 60 3.444 -4.581 7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.096 -3.935 9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.384 -3.013 8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.440 -1.272 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.599 -2.100 9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.226 -1.675 10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.811 -0.188 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.466 -0.609 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.562 -1.419 12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.329 0.912 12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.925 0.583 12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.863 1.368 11.217 1.00 0.00 H new ATOM 899 N GLU A 61 1.146 -5.253 6.863 1.00 0.00 N ATOM 900 CA GLU A 61 -0.211 -5.756 6.735 1.00 0.00 C ATOM 901 C GLU A 61 -0.966 -5.588 8.054 1.00 0.00 C ATOM 902 O GLU A 61 -0.373 -5.237 9.073 1.00 0.00 O ATOM 903 CB GLU A 61 -0.213 -7.218 6.284 1.00 0.00 C ATOM 904 CG GLU A 61 0.185 -8.147 7.433 1.00 0.00 C ATOM 905 CD GLU A 61 0.035 -9.615 7.029 1.00 0.00 C ATOM 906 OE1 GLU A 61 -1.098 -10.126 7.156 1.00 0.00 O ATOM 907 OE2 GLU A 61 1.058 -10.192 6.600 1.00 0.00 O ATOM 0 H GLU A 61 1.868 -5.878 6.504 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.723 -5.173 5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.204 -7.488 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.479 -7.346 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.217 -7.950 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.437 -7.941 8.304 1.00 0.00 H new ATOM 914 N LEU A 62 -2.264 -5.846 7.993 1.00 0.00 N ATOM 915 CA LEU A 62 -3.107 -5.727 9.171 1.00 0.00 C ATOM 916 C LEU A 62 -4.158 -6.839 9.155 1.00 0.00 C ATOM 917 O LEU A 62 -5.231 -6.675 8.575 1.00 0.00 O ATOM 918 CB LEU A 62 -3.701 -4.320 9.265 1.00 0.00 C ATOM 919 CG LEU A 62 -2.722 -3.164 9.055 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.469 -1.850 8.814 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.739 -3.058 10.222 1.00 0.00 C ATOM 0 H LEU A 62 -2.753 -6.137 7.146 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.516 -5.859 10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.498 -4.234 8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.162 -4.206 10.246 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.137 -3.371 8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.750 -1.044 8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.094 -1.944 7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.096 -1.624 9.677 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.054 -2.228 10.047 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.289 -2.885 11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.172 -3.985 10.305 1.00 0.00 H new