USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 47 ASN : amide:sc= -0.4 X(o=-0.49,f=-0.36) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0932 X(o=-0.49,f=-0.044) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 139:sc= -0.0202 (180deg=-0.169) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 168:sc= 0 (180deg=-0.0885) USER MOD Single : A 28 THR OG1 : rot 157:sc= -4.82! USER MOD Single : A 38 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-1.4) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -22:sc= -0.363 USER MOD Single : A 61 GLN : amide:sc= -0.402 K(o=-0.4,f=-3.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= 0.0132 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 73 MET CE :methyl -174:sc= -1.89! (180deg=-2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.083) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.437 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 81 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-7.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -4.199 -13.920 -1.621 1.00 0.00 N ATOM 112 CA LYS A 11 -3.681 -13.279 -0.424 1.00 0.00 C ATOM 113 C LYS A 11 -2.173 -13.519 -0.334 1.00 0.00 C ATOM 114 O LYS A 11 -1.674 -14.542 -0.801 1.00 0.00 O ATOM 115 CB LYS A 11 -4.452 -13.748 0.811 1.00 0.00 C ATOM 116 CG LYS A 11 -5.956 -13.529 0.634 1.00 0.00 C ATOM 117 CD LYS A 11 -6.695 -13.694 1.964 1.00 0.00 C ATOM 118 CE LYS A 11 -7.909 -12.765 2.036 1.00 0.00 C ATOM 119 NZ LYS A 11 -9.154 -13.550 2.185 1.00 0.00 N ATOM 0 HA LYS A 11 -3.830 -12.200 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.253 -14.805 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.103 -13.206 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.137 -12.531 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.347 -14.240 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.017 -14.729 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.017 -13.477 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.801 -12.080 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.962 -12.156 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.968 -12.904 2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.263 -14.186 1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.107 -14.113 3.058 1.00 0.00 H new ATOM 133 N PHE A 12 -1.488 -12.558 0.268 1.00 0.00 N ATOM 134 CA PHE A 12 -0.046 -12.652 0.425 1.00 0.00 C ATOM 135 C PHE A 12 0.371 -12.335 1.862 1.00 0.00 C ATOM 136 O PHE A 12 -0.377 -11.700 2.604 1.00 0.00 O ATOM 137 CB PHE A 12 0.574 -11.615 -0.514 1.00 0.00 C ATOM 138 CG PHE A 12 0.021 -11.657 -1.940 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.111 -10.971 -2.251 1.00 0.00 C ATOM 140 CD2 PHE A 12 0.663 -12.380 -2.897 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.624 -11.010 -3.575 1.00 0.00 C ATOM 142 CE2 PHE A 12 0.150 -12.419 -4.220 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.982 -11.733 -4.531 1.00 0.00 C ATOM 0 H PHE A 12 -1.905 -11.710 0.653 1.00 0.00 H new ATOM 0 HA PHE A 12 0.289 -13.663 0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.408 -10.620 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.652 -11.770 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.620 -10.396 -1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.563 -12.924 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.523 -10.466 -3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.659 -12.994 -4.980 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.371 -11.762 -5.538 1.00 0.00 H new ATOM 153 N LYS A 13 1.564 -12.793 2.213 1.00 0.00 N ATOM 154 CA LYS A 13 2.089 -12.566 3.549 1.00 0.00 C ATOM 155 C LYS A 13 2.816 -11.221 3.585 1.00 0.00 C ATOM 156 O LYS A 13 3.438 -10.820 2.602 1.00 0.00 O ATOM 157 CB LYS A 13 2.957 -13.746 3.990 1.00 0.00 C ATOM 158 CG LYS A 13 2.102 -14.856 4.605 1.00 0.00 C ATOM 159 CD LYS A 13 2.795 -15.471 5.823 1.00 0.00 C ATOM 160 CE LYS A 13 1.804 -16.267 6.674 1.00 0.00 C ATOM 161 NZ LYS A 13 1.485 -15.534 7.920 1.00 0.00 N ATOM 0 H LYS A 13 2.182 -13.320 1.596 1.00 0.00 H new ATOM 0 HA LYS A 13 1.276 -12.509 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.507 -14.138 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.696 -13.407 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.133 -14.453 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.913 -15.629 3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.604 -16.124 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.246 -14.683 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.891 -16.447 6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.225 -17.242 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.468 -15.618 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.029 -15.938 8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.733 -14.531 7.806 1.00 0.00 H new ATOM 175 N LEU A 14 2.714 -10.559 4.728 1.00 0.00 N ATOM 176 CA LEU A 14 3.354 -9.267 4.905 1.00 0.00 C ATOM 177 C LEU A 14 4.689 -9.459 5.627 1.00 0.00 C ATOM 178 O LEU A 14 4.821 -10.342 6.473 1.00 0.00 O ATOM 179 CB LEU A 14 2.408 -8.293 5.610 1.00 0.00 C ATOM 180 CG LEU A 14 1.277 -7.719 4.754 1.00 0.00 C ATOM 181 CD1 LEU A 14 -0.090 -8.065 5.349 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.450 -6.212 4.555 1.00 0.00 C ATOM 0 H LEU A 14 2.197 -10.894 5.541 1.00 0.00 H new ATOM 0 HA LEU A 14 3.576 -8.816 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.966 -8.802 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.998 -7.464 6.001 1.00 0.00 H new ATOM 0 HG LEU A 14 1.326 -8.182 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.877 -7.645 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.203 -9.148 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.166 -7.648 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.633 -5.830 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.442 -5.714 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.399 -6.018 4.055 1.00 0.00 H new ATOM 194 N SER A 15 5.647 -8.616 5.267 1.00 0.00 N ATOM 195 CA SER A 15 6.967 -8.682 5.870 1.00 0.00 C ATOM 196 C SER A 15 6.931 -8.079 7.276 1.00 0.00 C ATOM 197 O SER A 15 5.937 -7.469 7.668 1.00 0.00 O ATOM 198 CB SER A 15 8.003 -7.958 5.008 1.00 0.00 C ATOM 199 OG SER A 15 9.173 -8.745 4.805 1.00 0.00 O ATOM 0 H SER A 15 5.535 -7.884 4.565 1.00 0.00 H new ATOM 0 HA SER A 15 7.260 -9.730 5.939 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.561 -7.709 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.277 -7.017 5.485 1.00 0.00 H new ATOM 0 HG SER A 15 9.809 -8.248 4.249 1.00 0.00 H new ATOM 205 N THR A 16 8.027 -8.270 7.996 1.00 0.00 N ATOM 206 CA THR A 16 8.133 -7.753 9.349 1.00 0.00 C ATOM 207 C THR A 16 8.066 -6.224 9.343 1.00 0.00 C ATOM 208 O THR A 16 7.450 -5.623 10.221 1.00 0.00 O ATOM 209 CB THR A 16 9.421 -8.302 9.965 1.00 0.00 C ATOM 210 OG1 THR A 16 9.197 -9.707 10.044 1.00 0.00 O ATOM 211 CG2 THR A 16 9.603 -7.871 11.422 1.00 0.00 C ATOM 0 H THR A 16 8.849 -8.776 7.667 1.00 0.00 H new ATOM 0 HA THR A 16 7.295 -8.081 9.964 1.00 0.00 H new ATOM 0 HB THR A 16 10.276 -7.967 9.378 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.985 -10.143 10.431 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.532 -8.287 11.811 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.642 -6.783 11.477 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.765 -8.235 12.016 1.00 0.00 H new ATOM 219 N ALA A 17 8.708 -5.640 8.341 1.00 0.00 N ATOM 220 CA ALA A 17 8.729 -4.193 8.209 1.00 0.00 C ATOM 221 C ALA A 17 7.348 -3.706 7.765 1.00 0.00 C ATOM 222 O ALA A 17 6.796 -2.776 8.351 1.00 0.00 O ATOM 223 CB ALA A 17 9.833 -3.786 7.231 1.00 0.00 C ATOM 0 H ALA A 17 9.217 -6.142 7.614 1.00 0.00 H new ATOM 0 HA ALA A 17 8.952 -3.723 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.849 -2.701 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.797 -4.130 7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.641 -4.237 6.257 1.00 0.00 H new ATOM 229 N LEU A 18 6.829 -4.357 6.734 1.00 0.00 N ATOM 230 CA LEU A 18 5.524 -4.002 6.205 1.00 0.00 C ATOM 231 C LEU A 18 4.466 -4.203 7.292 1.00 0.00 C ATOM 232 O LEU A 18 3.571 -3.375 7.454 1.00 0.00 O ATOM 233 CB LEU A 18 5.238 -4.777 4.917 1.00 0.00 C ATOM 234 CG LEU A 18 4.373 -4.058 3.879 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.102 -2.841 3.307 1.00 0.00 C ATOM 236 CD2 LEU A 18 3.918 -5.023 2.782 1.00 0.00 C ATOM 0 H LEU A 18 7.289 -5.129 6.251 1.00 0.00 H new ATOM 0 HA LEU A 18 5.500 -2.948 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.190 -5.034 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.749 -5.715 5.182 1.00 0.00 H new ATOM 0 HG LEU A 18 3.475 -3.691 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.466 -2.348 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.333 -2.144 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.027 -3.163 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.305 -4.487 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.791 -5.441 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.334 -5.829 3.226 1.00 0.00 H new ATOM 248 N MET A 19 4.603 -5.310 8.008 1.00 0.00 N ATOM 249 CA MET A 19 3.670 -5.631 9.074 1.00 0.00 C ATOM 250 C MET A 19 3.688 -4.555 10.162 1.00 0.00 C ATOM 251 O MET A 19 2.795 -4.505 11.006 1.00 0.00 O ATOM 252 CB MET A 19 4.040 -6.983 9.687 1.00 0.00 C ATOM 253 CG MET A 19 3.379 -8.131 8.922 1.00 0.00 C ATOM 254 SD MET A 19 3.025 -9.482 10.035 1.00 0.00 S ATOM 255 CE MET A 19 4.574 -10.365 9.953 1.00 0.00 C ATOM 0 H MET A 19 5.346 -5.995 7.870 1.00 0.00 H new ATOM 0 HA MET A 19 2.666 -5.676 8.651 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.123 -7.108 9.674 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.729 -7.010 10.731 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.458 -7.784 8.453 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.036 -8.471 8.121 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.608 -11.114 10.744 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.662 -10.856 8.984 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.399 -9.665 10.081 1.00 0.00 H new ATOM 265 N ASP A 20 4.716 -3.720 10.106 1.00 0.00 N ATOM 266 CA ASP A 20 4.863 -2.648 11.076 1.00 0.00 C ATOM 267 C ASP A 20 4.375 -1.336 10.457 1.00 0.00 C ATOM 268 O ASP A 20 4.288 -0.318 11.141 1.00 0.00 O ATOM 269 CB ASP A 20 6.328 -2.466 11.477 1.00 0.00 C ATOM 270 CG ASP A 20 6.675 -2.941 12.889 1.00 0.00 C ATOM 271 OD1 ASP A 20 6.167 -4.020 13.266 1.00 0.00 O ATOM 272 OD2 ASP A 20 7.440 -2.215 13.561 1.00 0.00 O ATOM 0 H ASP A 20 5.455 -3.764 9.404 1.00 0.00 H new ATOM 0 HA ASP A 20 4.277 -2.908 11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.954 -3.004 10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.584 -1.410 11.392 1.00 0.00 H new ATOM 277 N VAL A 21 4.070 -1.404 9.169 1.00 0.00 N ATOM 278 CA VAL A 21 3.594 -0.234 8.451 1.00 0.00 C ATOM 279 C VAL A 21 2.074 -0.135 8.598 1.00 0.00 C ATOM 280 O VAL A 21 1.551 0.909 8.985 1.00 0.00 O ATOM 281 CB VAL A 21 4.050 -0.295 6.992 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.291 0.722 6.137 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.562 -0.084 6.881 1.00 0.00 C ATOM 0 H VAL A 21 4.143 -2.251 8.605 1.00 0.00 H new ATOM 0 HA VAL A 21 4.022 0.675 8.874 1.00 0.00 H new ATOM 0 HB VAL A 21 3.821 -1.290 6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.634 0.658 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.223 0.507 6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.474 1.727 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.860 -0.132 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.824 0.892 7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.080 -0.862 7.442 1.00 0.00 H new ATOM 293 N LEU A 22 1.407 -1.235 8.281 1.00 0.00 N ATOM 294 CA LEU A 22 -0.042 -1.285 8.373 1.00 0.00 C ATOM 295 C LEU A 22 -0.442 -2.000 9.665 1.00 0.00 C ATOM 296 O LEU A 22 -1.100 -1.415 10.524 1.00 0.00 O ATOM 297 CB LEU A 22 -0.638 -1.914 7.112 1.00 0.00 C ATOM 298 CG LEU A 22 0.026 -1.523 5.789 1.00 0.00 C ATOM 299 CD1 LEU A 22 -0.253 -2.567 4.706 1.00 0.00 C ATOM 300 CD2 LEU A 22 -0.402 -0.119 5.356 1.00 0.00 C ATOM 0 H LEU A 22 1.844 -2.099 7.960 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.455 -0.278 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.590 -2.998 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.693 -1.645 7.060 1.00 0.00 H new ATOM 0 HG LEU A 22 1.105 -1.499 5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.230 -2.265 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.140 -3.533 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.328 -2.648 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.083 0.135 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.484 -0.092 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.111 0.602 6.120 1.00 0.00 H new ATOM 312 N GLY A 23 -0.029 -3.255 9.762 1.00 0.00 N ATOM 313 CA GLY A 23 -0.336 -4.056 10.934 1.00 0.00 C ATOM 314 C GLY A 23 -1.157 -5.290 10.555 1.00 0.00 C ATOM 315 O GLY A 23 -2.026 -5.719 11.314 1.00 0.00 O ATOM 0 H GLY A 23 0.516 -3.737 9.047 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.589 -4.366 11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.889 -3.454 11.655 1.00 0.00 H new ATOM 319 N ILE A 24 -0.854 -5.826 9.382 1.00 0.00 N ATOM 320 CA ILE A 24 -1.553 -7.002 8.894 1.00 0.00 C ATOM 321 C ILE A 24 -0.594 -8.194 8.888 1.00 0.00 C ATOM 322 O ILE A 24 0.506 -8.113 9.431 1.00 0.00 O ATOM 323 CB ILE A 24 -2.191 -6.719 7.532 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.497 -5.548 6.834 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.698 -6.493 7.669 1.00 0.00 C ATOM 326 CD1 ILE A 24 -2.004 -5.385 5.400 1.00 0.00 C ATOM 0 H ILE A 24 -0.134 -5.467 8.755 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.377 -7.259 9.559 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.053 -7.597 6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.676 -4.629 7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.419 -5.712 6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.127 -6.294 6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.162 -7.383 8.094 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.880 -5.641 8.324 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.494 -4.546 4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.802 -6.296 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.078 -5.197 5.413 1.00 0.00 H new ATOM 338 N GLU A 25 -1.047 -9.274 8.267 1.00 0.00 N ATOM 339 CA GLU A 25 -0.243 -10.481 8.183 1.00 0.00 C ATOM 340 C GLU A 25 -0.493 -11.194 6.852 1.00 0.00 C ATOM 341 O GLU A 25 0.448 -11.627 6.190 1.00 0.00 O ATOM 342 CB GLU A 25 -0.526 -11.411 9.364 1.00 0.00 C ATOM 343 CG GLU A 25 0.680 -12.306 9.658 1.00 0.00 C ATOM 344 CD GLU A 25 0.773 -12.628 11.151 1.00 0.00 C ATOM 345 OE1 GLU A 25 0.776 -11.659 11.941 1.00 0.00 O ATOM 346 OE2 GLU A 25 0.839 -13.835 11.468 1.00 0.00 O ATOM 0 H GLU A 25 -1.960 -9.338 7.818 1.00 0.00 H new ATOM 0 HA GLU A 25 0.809 -10.198 8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.769 -10.820 10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.397 -12.029 9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.599 -13.231 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.594 -11.810 9.332 1.00 0.00 H new ATOM 353 N VAL A 26 -1.767 -11.294 6.501 1.00 0.00 N ATOM 354 CA VAL A 26 -2.152 -11.946 5.261 1.00 0.00 C ATOM 355 C VAL A 26 -3.287 -11.157 4.606 1.00 0.00 C ATOM 356 O VAL A 26 -4.449 -11.306 4.982 1.00 0.00 O ATOM 357 CB VAL A 26 -2.518 -13.407 5.531 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.636 -14.193 4.224 1.00 0.00 C ATOM 359 CG2 VAL A 26 -1.506 -14.061 6.475 1.00 0.00 C ATOM 0 H VAL A 26 -2.545 -10.934 7.054 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.317 -11.957 4.560 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.492 -13.423 6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.897 -15.228 4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.412 -13.748 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.684 -14.164 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.790 -15.099 6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.514 -14.027 6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.493 -13.523 7.423 1.00 0.00 H new ATOM 369 N GLU A 27 -2.911 -10.335 3.638 1.00 0.00 N ATOM 370 CA GLU A 27 -3.883 -9.522 2.926 1.00 0.00 C ATOM 371 C GLU A 27 -3.738 -9.721 1.416 1.00 0.00 C ATOM 372 O GLU A 27 -2.818 -10.399 0.961 1.00 0.00 O ATOM 373 CB GLU A 27 -3.743 -8.046 3.302 1.00 0.00 C ATOM 374 CG GLU A 27 -5.114 -7.398 3.505 1.00 0.00 C ATOM 375 CD GLU A 27 -5.945 -8.182 4.522 1.00 0.00 C ATOM 376 OE1 GLU A 27 -5.319 -8.810 5.403 1.00 0.00 O ATOM 377 OE2 GLU A 27 -7.188 -8.137 4.395 1.00 0.00 O ATOM 0 H GLU A 27 -1.946 -10.214 3.330 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.882 -9.844 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.155 -7.954 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.200 -7.518 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.988 -6.371 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.644 -7.354 2.554 1.00 0.00 H new ATOM 384 N THR A 28 -4.660 -9.116 0.681 1.00 0.00 N ATOM 385 CA THR A 28 -4.646 -9.218 -0.768 1.00 0.00 C ATOM 386 C THR A 28 -3.540 -8.338 -1.354 1.00 0.00 C ATOM 387 O THR A 28 -2.660 -7.876 -0.629 1.00 0.00 O ATOM 388 CB THR A 28 -6.042 -8.860 -1.281 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.238 -7.517 -0.846 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.146 -9.647 -0.571 1.00 0.00 C ATOM 0 H THR A 28 -5.421 -8.554 1.062 1.00 0.00 H new ATOM 0 HA THR A 28 -4.416 -10.233 -1.090 1.00 0.00 H new ATOM 0 HB THR A 28 -6.094 -9.048 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.908 -7.084 -1.415 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.117 -9.355 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.993 -10.714 -0.732 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.116 -9.433 0.497 1.00 0.00 H new ATOM 398 N ARG A 29 -3.620 -8.133 -2.661 1.00 0.00 N ATOM 399 CA ARG A 29 -2.637 -7.317 -3.352 1.00 0.00 C ATOM 400 C ARG A 29 -2.986 -5.834 -3.213 1.00 0.00 C ATOM 401 O ARG A 29 -2.118 -5.014 -2.917 1.00 0.00 O ATOM 402 CB ARG A 29 -2.566 -7.680 -4.837 1.00 0.00 C ATOM 403 CG ARG A 29 -1.132 -7.568 -5.360 1.00 0.00 C ATOM 404 CD ARG A 29 -1.069 -7.883 -6.856 1.00 0.00 C ATOM 405 NE ARG A 29 -0.660 -9.291 -7.060 1.00 0.00 N ATOM 406 CZ ARG A 29 0.612 -9.713 -7.046 1.00 0.00 C ATOM 407 NH1 ARG A 29 1.606 -8.839 -6.837 1.00 0.00 N ATOM 408 NH2 ARG A 29 0.890 -11.010 -7.240 1.00 0.00 N ATOM 0 H ARG A 29 -4.351 -8.518 -3.259 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.666 -7.510 -2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.933 -8.696 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.218 -7.019 -5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.753 -6.562 -5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.486 -8.255 -4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.043 -7.708 -7.314 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.361 -7.215 -7.347 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.392 -9.983 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.395 -7.852 -6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.574 -9.160 -6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.133 -11.676 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.858 -11.331 -7.229 1.00 0.00 H new ATOM 422 N PRO A 30 -4.291 -5.527 -3.439 1.00 0.00 N ATOM 423 CA PRO A 30 -4.765 -4.157 -3.342 1.00 0.00 C ATOM 424 C PRO A 30 -4.879 -3.718 -1.880 1.00 0.00 C ATOM 425 O PRO A 30 -4.276 -2.725 -1.478 1.00 0.00 O ATOM 426 CB PRO A 30 -6.100 -4.150 -4.070 1.00 0.00 C ATOM 427 CG PRO A 30 -6.542 -5.602 -4.143 1.00 0.00 C ATOM 428 CD PRO A 30 -5.346 -6.472 -3.792 1.00 0.00 C ATOM 0 HA PRO A 30 -4.077 -3.441 -3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.833 -3.545 -3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.999 -3.722 -5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.364 -5.786 -3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.907 -5.840 -5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.573 -7.141 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.051 -7.098 -4.634 1.00 0.00 H new ATOM 436 N ARG A 31 -5.657 -4.481 -1.126 1.00 0.00 N ATOM 437 CA ARG A 31 -5.857 -4.184 0.282 1.00 0.00 C ATOM 438 C ARG A 31 -4.570 -3.630 0.896 1.00 0.00 C ATOM 439 O ARG A 31 -4.613 -2.710 1.711 1.00 0.00 O ATOM 440 CB ARG A 31 -6.286 -5.433 1.053 1.00 0.00 C ATOM 441 CG ARG A 31 -7.682 -5.890 0.626 1.00 0.00 C ATOM 442 CD ARG A 31 -8.753 -5.334 1.568 1.00 0.00 C ATOM 443 NE ARG A 31 -9.182 -3.994 1.111 1.00 0.00 N ATOM 444 CZ ARG A 31 -10.320 -3.398 1.494 1.00 0.00 C ATOM 445 NH1 ARG A 31 -11.149 -4.021 2.342 1.00 0.00 N ATOM 446 NH2 ARG A 31 -10.629 -2.180 1.028 1.00 0.00 N ATOM 0 H ARG A 31 -6.156 -5.304 -1.464 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.648 -3.438 0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.569 -6.235 0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.279 -5.224 2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.881 -5.558 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.727 -6.979 0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.609 -6.008 1.598 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.360 -5.273 2.583 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.574 -3.492 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.914 -4.948 2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.015 -3.568 2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.998 -1.706 0.382 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.495 -1.727 1.320 1.00 0.00 H new ATOM 460 N ILE A 32 -3.456 -4.214 0.481 1.00 0.00 N ATOM 461 CA ILE A 32 -2.158 -3.790 0.981 1.00 0.00 C ATOM 462 C ILE A 32 -1.789 -2.445 0.351 1.00 0.00 C ATOM 463 O ILE A 32 -1.613 -1.453 1.057 1.00 0.00 O ATOM 464 CB ILE A 32 -1.113 -4.884 0.752 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.587 -6.222 1.323 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.247 -4.469 1.317 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.657 -7.360 0.896 1.00 0.00 C ATOM 0 H ILE A 32 -3.424 -4.977 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.195 -3.638 2.060 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.988 -5.019 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.622 -6.165 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.601 -6.429 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.972 -5.264 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.583 -3.556 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.157 -4.291 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.016 -8.300 1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.643 -7.430 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.351 -7.162 1.260 1.00 0.00 H new ATOM 479 N ILE A 33 -1.681 -2.456 -0.969 1.00 0.00 N ATOM 480 CA ILE A 33 -1.336 -1.249 -1.701 1.00 0.00 C ATOM 481 C ILE A 33 -2.146 -0.074 -1.151 1.00 0.00 C ATOM 482 O ILE A 33 -1.607 1.011 -0.938 1.00 0.00 O ATOM 483 CB ILE A 33 -1.512 -1.467 -3.206 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.470 -2.450 -3.743 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.485 -0.135 -3.959 1.00 0.00 C ATOM 486 CD1 ILE A 33 -0.847 -2.936 -5.144 1.00 0.00 C ATOM 0 H ILE A 33 -1.826 -3.281 -1.551 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.283 -1.005 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.492 -1.913 -3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.508 -1.970 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.387 -3.302 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.612 -0.318 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.294 0.502 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.530 0.361 -3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.090 -3.634 -5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.814 -3.437 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.905 -2.084 -5.821 1.00 0.00 H new ATOM 498 N ALA A 34 -3.428 -0.330 -0.936 1.00 0.00 N ATOM 499 CA ALA A 34 -4.318 0.693 -0.414 1.00 0.00 C ATOM 500 C ALA A 34 -3.940 1.001 1.036 1.00 0.00 C ATOM 501 O ALA A 34 -3.771 2.162 1.404 1.00 0.00 O ATOM 502 CB ALA A 34 -5.769 0.227 -0.553 1.00 0.00 C ATOM 0 H ALA A 34 -3.872 -1.231 -1.114 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.217 1.617 -0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.437 0.994 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.996 0.051 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.910 -0.697 0.008 1.00 0.00 H new ATOM 508 N ALA A 35 -3.819 -0.060 1.820 1.00 0.00 N ATOM 509 CA ALA A 35 -3.464 0.082 3.222 1.00 0.00 C ATOM 510 C ALA A 35 -2.313 1.080 3.353 1.00 0.00 C ATOM 511 O ALA A 35 -2.187 1.757 4.373 1.00 0.00 O ATOM 512 CB ALA A 35 -3.115 -1.290 3.802 1.00 0.00 C ATOM 0 H ALA A 35 -3.960 -1.022 1.511 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.306 0.473 3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.849 -1.183 4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.975 -1.953 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.272 -1.712 3.255 1.00 0.00 H new ATOM 518 N ILE A 36 -1.502 1.141 2.307 1.00 0.00 N ATOM 519 CA ILE A 36 -0.365 2.046 2.293 1.00 0.00 C ATOM 520 C ILE A 36 -0.825 3.429 1.830 1.00 0.00 C ATOM 521 O ILE A 36 -0.389 4.445 2.369 1.00 0.00 O ATOM 522 CB ILE A 36 0.773 1.463 1.453 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.319 0.180 2.083 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.873 2.502 1.223 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.333 -0.496 1.159 1.00 0.00 C ATOM 0 H ILE A 36 -1.610 0.578 1.463 1.00 0.00 H new ATOM 0 HA ILE A 36 0.040 2.165 3.298 1.00 0.00 H new ATOM 0 HB ILE A 36 0.373 1.196 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.790 0.412 3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.497 -0.506 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.670 2.062 0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.457 3.362 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.277 2.823 2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.705 -1.405 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.852 -0.748 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.165 0.183 0.973 1.00 0.00 H new ATOM 537 N TRP A 37 -1.702 3.424 0.836 1.00 0.00 N ATOM 538 CA TRP A 37 -2.226 4.666 0.295 1.00 0.00 C ATOM 539 C TRP A 37 -2.859 5.453 1.444 1.00 0.00 C ATOM 540 O TRP A 37 -2.710 6.672 1.523 1.00 0.00 O ATOM 541 CB TRP A 37 -3.201 4.396 -0.853 1.00 0.00 C ATOM 542 CG TRP A 37 -2.540 3.824 -2.109 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.335 3.249 -2.218 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.101 3.795 -3.438 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.079 2.853 -3.515 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.187 3.196 -4.281 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.340 4.259 -3.913 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.415 3.006 -5.649 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.553 4.062 -5.283 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.643 3.461 -6.144 1.00 0.00 C ATOM 0 H TRP A 37 -2.062 2.579 0.392 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.425 5.266 -0.138 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.967 3.701 -0.509 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.707 5.326 -1.113 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.650 3.112 -1.394 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.232 2.393 -3.850 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.070 4.730 -3.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.683 2.534 -6.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.490 4.401 -5.699 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.882 3.345 -7.191 1.00 0.00 H new ATOM 561 N HIS A 38 -3.553 4.724 2.306 1.00 0.00 N ATOM 562 CA HIS A 38 -4.209 5.339 3.448 1.00 0.00 C ATOM 563 C HIS A 38 -3.162 5.738 4.489 1.00 0.00 C ATOM 564 O HIS A 38 -3.011 6.918 4.803 1.00 0.00 O ATOM 565 CB HIS A 38 -5.288 4.415 4.016 1.00 0.00 C ATOM 566 CG HIS A 38 -5.660 4.714 5.449 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.031 3.729 6.348 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.713 5.896 6.128 1.00 0.00 C ATOM 569 CE1 HIS A 38 -6.294 4.304 7.512 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.097 5.647 7.374 1.00 0.00 N ATOM 0 H HIS A 38 -3.675 3.714 2.237 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.720 6.248 3.132 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.181 4.492 3.396 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.941 3.384 3.949 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.482 6.869 5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.609 3.798 8.413 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.224 6.345 8.107 1.00 0.00 H new ATOM 578 N TYR A 39 -2.465 4.732 4.996 1.00 0.00 N ATOM 579 CA TYR A 39 -1.436 4.963 5.995 1.00 0.00 C ATOM 580 C TYR A 39 -0.619 6.213 5.663 1.00 0.00 C ATOM 581 O TYR A 39 -0.322 7.018 6.545 1.00 0.00 O ATOM 582 CB TYR A 39 -0.517 3.740 5.945 1.00 0.00 C ATOM 583 CG TYR A 39 0.803 3.922 6.696 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.864 3.679 8.053 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.933 4.330 6.017 1.00 0.00 C ATOM 586 CE1 TYR A 39 2.107 3.851 8.760 1.00 0.00 C ATOM 587 CE2 TYR A 39 3.176 4.502 6.724 1.00 0.00 C ATOM 588 CZ TYR A 39 3.201 4.254 8.061 1.00 0.00 C ATOM 589 OH TYR A 39 4.375 4.416 8.729 1.00 0.00 O ATOM 0 H TYR A 39 -2.593 3.755 4.733 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.883 5.111 6.978 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.046 2.884 6.363 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.301 3.503 4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.020 3.360 8.585 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.885 4.520 4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.169 3.664 9.822 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.068 4.821 6.204 1.00 0.00 H new ATOM 0 HH TYR A 39 5.071 4.706 8.102 1.00 0.00 H new ATOM 599 N VAL A 40 -0.280 6.338 4.388 1.00 0.00 N ATOM 600 CA VAL A 40 0.496 7.477 3.928 1.00 0.00 C ATOM 601 C VAL A 40 -0.272 8.766 4.225 1.00 0.00 C ATOM 602 O VAL A 40 0.242 9.658 4.898 1.00 0.00 O ATOM 603 CB VAL A 40 0.838 7.313 2.446 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.517 8.570 1.898 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.709 6.076 2.218 1.00 0.00 C ATOM 0 H VAL A 40 -0.529 5.669 3.659 1.00 0.00 H new ATOM 0 HA VAL A 40 1.444 7.533 4.462 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.095 7.171 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.750 8.427 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.848 9.423 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.438 8.756 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.938 5.983 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.637 6.175 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.174 5.187 2.553 1.00 0.00 H new ATOM 615 N LYS A 41 -1.492 8.822 3.710 1.00 0.00 N ATOM 616 CA LYS A 41 -2.336 9.987 3.912 1.00 0.00 C ATOM 617 C LYS A 41 -2.603 10.165 5.408 1.00 0.00 C ATOM 618 O LYS A 41 -2.701 11.291 5.894 1.00 0.00 O ATOM 619 CB LYS A 41 -3.609 9.878 3.069 1.00 0.00 C ATOM 620 CG LYS A 41 -4.800 10.512 3.790 1.00 0.00 C ATOM 621 CD LYS A 41 -5.816 11.065 2.789 1.00 0.00 C ATOM 622 CE LYS A 41 -6.213 12.499 3.146 1.00 0.00 C ATOM 623 NZ LYS A 41 -7.023 12.520 4.385 1.00 0.00 N ATOM 0 H LYS A 41 -1.916 8.080 3.154 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.829 10.889 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.457 10.370 2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.822 8.830 2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.280 9.770 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.451 11.314 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.393 11.040 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.702 10.431 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.319 13.108 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.780 12.940 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.284 13.501 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.885 11.956 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.470 12.118 5.168 1.00 0.00 H new ATOM 637 N ALA A 42 -2.713 9.038 6.095 1.00 0.00 N ATOM 638 CA ALA A 42 -2.966 9.056 7.526 1.00 0.00 C ATOM 639 C ALA A 42 -1.782 9.708 8.241 1.00 0.00 C ATOM 640 O ALA A 42 -1.968 10.492 9.170 1.00 0.00 O ATOM 641 CB ALA A 42 -3.231 7.630 8.015 1.00 0.00 C ATOM 0 H ALA A 42 -2.632 8.106 5.688 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.853 9.648 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.421 7.643 9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.100 7.224 7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.361 7.007 7.808 1.00 0.00 H new ATOM 647 N ARG A 43 -0.589 9.359 7.781 1.00 0.00 N ATOM 648 CA ARG A 43 0.626 9.900 8.366 1.00 0.00 C ATOM 649 C ARG A 43 1.026 11.195 7.655 1.00 0.00 C ATOM 650 O ARG A 43 2.106 11.731 7.895 1.00 0.00 O ATOM 651 CB ARG A 43 1.778 8.897 8.270 1.00 0.00 C ATOM 652 CG ARG A 43 1.388 7.554 8.888 1.00 0.00 C ATOM 653 CD ARG A 43 1.947 7.420 10.306 1.00 0.00 C ATOM 654 NE ARG A 43 1.369 8.465 11.179 1.00 0.00 N ATOM 655 CZ ARG A 43 1.948 8.912 12.302 1.00 0.00 C ATOM 656 NH1 ARG A 43 3.126 8.406 12.695 1.00 0.00 N ATOM 657 NH2 ARG A 43 1.351 9.863 13.032 1.00 0.00 N ATOM 0 H ARG A 43 -0.438 8.708 7.010 1.00 0.00 H new ATOM 0 HA ARG A 43 0.425 10.105 9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.054 8.754 7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.655 9.295 8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.302 7.462 8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.764 6.741 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.716 6.432 10.705 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.033 7.510 10.288 1.00 0.00 H new ATOM 0 HE ARG A 43 0.473 8.871 10.909 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.581 7.681 12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.567 8.746 13.550 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.455 10.248 12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.793 10.202 13.887 1.00 0.00 H new ATOM 671 N LYS A 44 0.132 11.660 6.794 1.00 0.00 N ATOM 672 CA LYS A 44 0.378 12.881 6.046 1.00 0.00 C ATOM 673 C LYS A 44 1.703 12.754 5.291 1.00 0.00 C ATOM 674 O LYS A 44 2.432 13.733 5.141 1.00 0.00 O ATOM 675 CB LYS A 44 0.313 14.098 6.972 1.00 0.00 C ATOM 676 CG LYS A 44 -0.867 15.002 6.606 1.00 0.00 C ATOM 677 CD LYS A 44 -1.102 16.059 7.687 1.00 0.00 C ATOM 678 CE LYS A 44 -1.544 17.387 7.067 1.00 0.00 C ATOM 679 NZ LYS A 44 -2.933 17.708 7.467 1.00 0.00 N ATOM 0 H LYS A 44 -0.764 11.213 6.598 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.401 13.034 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.216 13.768 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.243 14.662 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.674 15.490 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.766 14.399 6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.862 15.708 8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.187 16.208 8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.874 18.185 7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.476 17.329 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.218 18.612 7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.571 16.954 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.987 17.784 8.503 1.00 0.00 H new ATOM 693 N LEU A 45 1.974 11.539 4.836 1.00 0.00 N ATOM 694 CA LEU A 45 3.198 11.271 4.100 1.00 0.00 C ATOM 695 C LEU A 45 3.026 11.728 2.650 1.00 0.00 C ATOM 696 O LEU A 45 4.000 12.081 1.987 1.00 0.00 O ATOM 697 CB LEU A 45 3.595 9.801 4.239 1.00 0.00 C ATOM 698 CG LEU A 45 4.237 9.402 5.570 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.294 7.880 5.717 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.617 10.045 5.727 1.00 0.00 C ATOM 0 H LEU A 45 1.367 10.729 4.963 1.00 0.00 H new ATOM 0 HA LEU A 45 4.027 11.842 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.705 9.189 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.289 9.555 3.435 1.00 0.00 H new ATOM 0 HG LEU A 45 3.611 9.780 6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.755 7.624 6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.284 7.473 5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.885 7.458 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.052 9.746 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.265 9.718 4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.518 11.130 5.698 1.00 0.00 H new ATOM 712 N GLN A 46 1.780 11.706 2.200 1.00 0.00 N ATOM 713 CA GLN A 46 1.468 12.113 0.841 1.00 0.00 C ATOM 714 C GLN A 46 2.272 13.359 0.462 1.00 0.00 C ATOM 715 O GLN A 46 2.500 14.232 1.297 1.00 0.00 O ATOM 716 CB GLN A 46 -0.033 12.357 0.672 1.00 0.00 C ATOM 717 CG GLN A 46 -0.370 12.719 -0.776 1.00 0.00 C ATOM 718 CD GLN A 46 -1.795 13.266 -0.886 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.545 13.316 0.075 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.125 13.672 -2.109 1.00 0.00 N ATOM 0 H GLN A 46 0.975 11.413 2.753 1.00 0.00 H new ATOM 0 HA GLN A 46 1.749 11.304 0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.585 11.464 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.351 13.161 1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.338 13.462 -1.143 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.265 11.838 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.449 13.602 -2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.054 14.053 -2.286 1.00 0.00 H new ATOM 729 N ASN A 47 2.679 13.401 -0.798 1.00 0.00 N ATOM 730 CA ASN A 47 3.452 14.525 -1.298 1.00 0.00 C ATOM 731 C ASN A 47 2.518 15.506 -2.008 1.00 0.00 C ATOM 732 O ASN A 47 1.695 15.102 -2.829 1.00 0.00 O ATOM 733 CB ASN A 47 4.507 14.063 -2.305 1.00 0.00 C ATOM 734 CG ASN A 47 5.765 14.930 -2.218 1.00 0.00 C ATOM 735 OD1 ASN A 47 5.914 15.924 -2.910 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.658 14.500 -1.332 1.00 0.00 N ATOM 0 H ASN A 47 2.488 12.674 -1.488 1.00 0.00 H new ATOM 0 HA ASN A 47 3.946 14.998 -0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.765 13.021 -2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.097 14.111 -3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.531 15.010 -1.199 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.470 13.660 -0.785 1.00 0.00 H new ATOM 743 N PRO A 48 2.679 16.810 -1.656 1.00 0.00 N ATOM 744 CA PRO A 48 1.859 17.852 -2.251 1.00 0.00 C ATOM 745 C PRO A 48 2.303 18.148 -3.685 1.00 0.00 C ATOM 746 O PRO A 48 1.476 18.210 -4.594 1.00 0.00 O ATOM 747 CB PRO A 48 2.010 19.048 -1.324 1.00 0.00 C ATOM 748 CG PRO A 48 3.265 18.786 -0.507 1.00 0.00 C ATOM 749 CD PRO A 48 3.643 17.325 -0.688 1.00 0.00 C ATOM 0 HA PRO A 48 0.812 17.563 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.100 19.974 -1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.138 19.154 -0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.077 19.434 -0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.088 19.007 0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.665 17.223 -1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.586 16.781 0.255 1.00 0.00 H new ATOM 757 N ASN A 49 3.607 18.321 -3.843 1.00 0.00 N ATOM 758 CA ASN A 49 4.170 18.609 -5.151 1.00 0.00 C ATOM 759 C ASN A 49 3.600 17.625 -6.175 1.00 0.00 C ATOM 760 O ASN A 49 3.160 18.027 -7.250 1.00 0.00 O ATOM 761 CB ASN A 49 5.692 18.452 -5.142 1.00 0.00 C ATOM 762 CG ASN A 49 6.378 19.729 -5.632 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.498 19.983 -6.820 1.00 0.00 O ATOM 764 ND2 ASN A 49 6.819 20.516 -4.655 1.00 0.00 N ATOM 0 H ASN A 49 4.290 18.267 -3.087 1.00 0.00 H new ATOM 0 HA ASN A 49 3.914 19.637 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.031 18.217 -4.133 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.978 17.614 -5.778 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.290 21.392 -4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.686 20.243 -3.681 1.00 0.00 H new ATOM 771 N ASP A 50 3.627 16.353 -5.804 1.00 0.00 N ATOM 772 CA ASP A 50 3.118 15.308 -6.676 1.00 0.00 C ATOM 773 C ASP A 50 2.101 14.460 -5.909 1.00 0.00 C ATOM 774 O ASP A 50 2.434 13.856 -4.891 1.00 0.00 O ATOM 775 CB ASP A 50 4.244 14.386 -7.146 1.00 0.00 C ATOM 776 CG ASP A 50 5.233 15.020 -8.127 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.116 16.246 -8.337 1.00 0.00 O ATOM 778 OD2 ASP A 50 6.083 14.264 -8.644 1.00 0.00 O ATOM 0 H ASP A 50 3.993 16.023 -4.911 1.00 0.00 H new ATOM 0 HA ASP A 50 2.658 15.785 -7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.795 14.036 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.802 13.508 -7.616 1.00 0.00 H new ATOM 783 N PRO A 51 0.850 14.441 -6.442 1.00 0.00 N ATOM 784 CA PRO A 51 -0.217 13.677 -5.819 1.00 0.00 C ATOM 785 C PRO A 51 -0.045 12.180 -6.083 1.00 0.00 C ATOM 786 O PRO A 51 -0.792 11.362 -5.548 1.00 0.00 O ATOM 787 CB PRO A 51 -1.500 14.240 -6.409 1.00 0.00 C ATOM 788 CG PRO A 51 -1.090 14.973 -7.676 1.00 0.00 C ATOM 789 CD PRO A 51 0.420 15.144 -7.647 1.00 0.00 C ATOM 0 HA PRO A 51 -0.220 13.767 -4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.210 13.443 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.989 14.916 -5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.394 14.410 -8.558 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.583 15.943 -7.732 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.883 14.721 -8.539 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.699 16.197 -7.612 1.00 0.00 H new ATOM 797 N SER A 52 0.944 11.866 -6.907 1.00 0.00 N ATOM 798 CA SER A 52 1.223 10.481 -7.247 1.00 0.00 C ATOM 799 C SER A 52 2.253 9.901 -6.275 1.00 0.00 C ATOM 800 O SER A 52 2.125 8.758 -5.840 1.00 0.00 O ATOM 801 CB SER A 52 1.725 10.359 -8.687 1.00 0.00 C ATOM 802 OG SER A 52 0.854 9.567 -9.491 1.00 0.00 O ATOM 0 H SER A 52 1.562 12.547 -7.349 1.00 0.00 H new ATOM 0 HA SER A 52 0.296 9.914 -7.164 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.818 11.353 -9.124 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.721 9.916 -8.687 1.00 0.00 H new ATOM 0 HG SER A 52 1.208 9.515 -10.403 1.00 0.00 H new ATOM 808 N PHE A 53 3.250 10.715 -5.964 1.00 0.00 N ATOM 809 CA PHE A 53 4.301 10.297 -5.052 1.00 0.00 C ATOM 810 C PHE A 53 3.899 10.553 -3.598 1.00 0.00 C ATOM 811 O PHE A 53 2.826 11.092 -3.333 1.00 0.00 O ATOM 812 CB PHE A 53 5.539 11.134 -5.381 1.00 0.00 C ATOM 813 CG PHE A 53 6.583 10.397 -6.222 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.407 9.487 -5.637 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.688 10.653 -7.553 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.377 8.803 -6.417 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.658 9.968 -8.333 1.00 0.00 C ATOM 818 CZ PHE A 53 8.481 9.058 -7.749 1.00 0.00 C ATOM 0 H PHE A 53 3.353 11.663 -6.327 1.00 0.00 H new ATOM 0 HA PHE A 53 4.490 9.230 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.227 12.032 -5.914 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.002 11.460 -4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.324 9.284 -4.579 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.034 11.377 -8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.032 8.081 -5.953 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.741 10.171 -9.391 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.218 8.537 -8.343 1.00 0.00 H new ATOM 828 N PHE A 54 4.782 10.154 -2.695 1.00 0.00 N ATOM 829 CA PHE A 54 4.532 10.333 -1.274 1.00 0.00 C ATOM 830 C PHE A 54 5.812 10.125 -0.462 1.00 0.00 C ATOM 831 O PHE A 54 6.732 9.442 -0.910 1.00 0.00 O ATOM 832 CB PHE A 54 3.505 9.276 -0.864 1.00 0.00 C ATOM 833 CG PHE A 54 3.956 7.837 -1.120 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.709 7.185 -0.193 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.606 7.209 -2.274 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.128 5.849 -0.430 1.00 0.00 C ATOM 837 CE2 PHE A 54 4.025 5.873 -2.511 1.00 0.00 C ATOM 838 CZ PHE A 54 4.777 5.222 -1.584 1.00 0.00 C ATOM 0 H PHE A 54 5.671 9.708 -2.919 1.00 0.00 H new ATOM 0 HA PHE A 54 4.173 11.344 -1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.283 9.393 0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.577 9.457 -1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.988 7.684 0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.009 7.726 -3.011 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.725 5.331 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.746 5.374 -3.427 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.096 4.206 -1.765 1.00 0.00 H new ATOM 848 N ASN A 55 5.830 10.727 0.718 1.00 0.00 N ATOM 849 CA ASN A 55 6.982 10.616 1.597 1.00 0.00 C ATOM 850 C ASN A 55 7.044 9.200 2.174 1.00 0.00 C ATOM 851 O ASN A 55 6.010 8.599 2.464 1.00 0.00 O ATOM 852 CB ASN A 55 6.880 11.599 2.765 1.00 0.00 C ATOM 853 CG ASN A 55 7.372 12.989 2.356 1.00 0.00 C ATOM 854 OD1 ASN A 55 8.446 13.430 2.730 1.00 0.00 O ATOM 855 ND2 ASN A 55 6.528 13.652 1.570 1.00 0.00 N ATOM 0 H ASN A 55 5.066 11.293 1.086 1.00 0.00 H new ATOM 0 HA ASN A 55 7.875 10.841 1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.846 11.660 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.470 11.233 3.605 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.765 14.589 1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.644 13.224 1.294 1.00 0.00 H new ATOM 862 N CYS A 56 8.265 8.709 2.325 1.00 0.00 N ATOM 863 CA CYS A 56 8.475 7.376 2.862 1.00 0.00 C ATOM 864 C CYS A 56 9.205 7.507 4.200 1.00 0.00 C ATOM 865 O CYS A 56 10.400 7.796 4.234 1.00 0.00 O ATOM 866 CB CYS A 56 9.237 6.484 1.881 1.00 0.00 C ATOM 867 SG CYS A 56 8.236 6.214 0.373 1.00 0.00 S ATOM 0 H CYS A 56 9.120 9.211 2.085 1.00 0.00 H new ATOM 0 HA CYS A 56 7.513 6.889 3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.188 6.948 1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.468 5.528 2.350 1.00 0.00 H new ATOM 0 HG CYS A 56 6.981 6.416 0.643 1.00 0.00 H new ATOM 873 N ASP A 57 8.456 7.288 5.271 1.00 0.00 N ATOM 874 CA ASP A 57 9.017 7.378 6.608 1.00 0.00 C ATOM 875 C ASP A 57 10.024 6.244 6.811 1.00 0.00 C ATOM 876 O ASP A 57 10.362 5.533 5.866 1.00 0.00 O ATOM 877 CB ASP A 57 7.927 7.238 7.673 1.00 0.00 C ATOM 878 CG ASP A 57 7.473 8.553 8.309 1.00 0.00 C ATOM 879 OD1 ASP A 57 7.704 9.603 7.670 1.00 0.00 O ATOM 880 OD2 ASP A 57 6.904 8.480 9.420 1.00 0.00 O ATOM 0 H ASP A 57 7.465 7.048 5.240 1.00 0.00 H new ATOM 0 HA ASP A 57 9.496 8.352 6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.061 6.751 7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.291 6.578 8.460 1.00 0.00 H new ATOM 885 N ALA A 58 10.476 6.112 8.050 1.00 0.00 N ATOM 886 CA ALA A 58 11.438 5.077 8.388 1.00 0.00 C ATOM 887 C ALA A 58 10.853 3.708 8.035 1.00 0.00 C ATOM 888 O ALA A 58 11.577 2.814 7.598 1.00 0.00 O ATOM 889 CB ALA A 58 11.807 5.188 9.869 1.00 0.00 C ATOM 0 H ALA A 58 10.194 6.704 8.831 1.00 0.00 H new ATOM 0 HA ALA A 58 12.355 5.202 7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.529 4.412 10.123 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.244 6.168 10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.911 5.064 10.477 1.00 0.00 H new ATOM 895 N ALA A 59 9.550 3.586 8.237 1.00 0.00 N ATOM 896 CA ALA A 59 8.860 2.341 7.945 1.00 0.00 C ATOM 897 C ALA A 59 8.848 2.113 6.432 1.00 0.00 C ATOM 898 O ALA A 59 9.532 1.223 5.930 1.00 0.00 O ATOM 899 CB ALA A 59 7.451 2.387 8.539 1.00 0.00 C ATOM 0 H ALA A 59 8.953 4.329 8.600 1.00 0.00 H new ATOM 0 HA ALA A 59 9.379 1.498 8.401 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.933 1.453 8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.516 2.522 9.619 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.899 3.219 8.102 1.00 0.00 H new ATOM 905 N LEU A 60 8.062 2.932 5.748 1.00 0.00 N ATOM 906 CA LEU A 60 7.951 2.830 4.303 1.00 0.00 C ATOM 907 C LEU A 60 9.343 2.619 3.703 1.00 0.00 C ATOM 908 O LEU A 60 9.486 1.960 2.674 1.00 0.00 O ATOM 909 CB LEU A 60 7.215 4.045 3.735 1.00 0.00 C ATOM 910 CG LEU A 60 5.696 4.056 3.920 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.110 5.422 3.559 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.040 2.923 3.129 1.00 0.00 C ATOM 0 H LEU A 60 7.496 3.669 6.168 1.00 0.00 H new ATOM 0 HA LEU A 60 7.349 1.964 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.624 4.942 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.432 4.110 2.669 1.00 0.00 H new ATOM 0 HG LEU A 60 5.478 3.881 4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.029 5.403 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.546 6.186 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.337 5.652 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.961 2.953 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.264 3.042 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.427 1.965 3.476 1.00 0.00 H new ATOM 924 N GLN A 61 10.334 3.190 4.372 1.00 0.00 N ATOM 925 CA GLN A 61 11.709 3.072 3.918 1.00 0.00 C ATOM 926 C GLN A 61 12.166 1.613 3.981 1.00 0.00 C ATOM 927 O GLN A 61 12.448 1.003 2.951 1.00 0.00 O ATOM 928 CB GLN A 61 12.636 3.972 4.738 1.00 0.00 C ATOM 929 CG GLN A 61 12.983 5.248 3.967 1.00 0.00 C ATOM 930 CD GLN A 61 14.499 5.414 3.838 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.280 4.599 4.298 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.868 6.514 3.187 1.00 0.00 N ATOM 0 H GLN A 61 10.212 3.736 5.225 1.00 0.00 H new ATOM 0 HA GLN A 61 11.758 3.403 2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.156 4.232 5.681 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.550 3.431 4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.532 5.213 2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.561 6.113 4.479 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.161 7.155 2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.858 6.716 3.048 1.00 0.00 H new ATOM 941 N LYS A 62 12.224 1.096 5.200 1.00 0.00 N ATOM 942 CA LYS A 62 12.641 -0.279 5.410 1.00 0.00 C ATOM 943 C LYS A 62 11.988 -1.173 4.354 1.00 0.00 C ATOM 944 O LYS A 62 12.549 -2.199 3.971 1.00 0.00 O ATOM 945 CB LYS A 62 12.350 -0.714 6.848 1.00 0.00 C ATOM 946 CG LYS A 62 13.574 -0.504 7.742 1.00 0.00 C ATOM 947 CD LYS A 62 13.561 -1.473 8.926 1.00 0.00 C ATOM 948 CE LYS A 62 14.321 -2.758 8.591 1.00 0.00 C ATOM 949 NZ LYS A 62 14.070 -3.792 9.619 1.00 0.00 N ATOM 0 H LYS A 62 11.989 1.605 6.052 1.00 0.00 H new ATOM 0 HA LYS A 62 13.720 -0.372 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.507 -0.146 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.060 -1.765 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.484 -0.649 7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.590 0.523 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.012 -0.996 9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.532 -1.714 9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.011 -3.126 7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.389 -2.550 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.593 -4.657 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.388 -3.444 10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.052 -4.003 9.658 1.00 0.00 H new ATOM 963 N VAL A 63 10.812 -0.751 3.913 1.00 0.00 N ATOM 964 CA VAL A 63 10.077 -1.501 2.908 1.00 0.00 C ATOM 965 C VAL A 63 10.729 -1.289 1.541 1.00 0.00 C ATOM 966 O VAL A 63 11.326 -2.209 0.984 1.00 0.00 O ATOM 967 CB VAL A 63 8.600 -1.102 2.934 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.837 -1.747 1.776 1.00 0.00 C ATOM 969 CG2 VAL A 63 7.960 -1.456 4.278 1.00 0.00 C ATOM 0 H VAL A 63 10.350 0.100 4.233 1.00 0.00 H new ATOM 0 HA VAL A 63 10.116 -2.569 3.124 1.00 0.00 H new ATOM 0 HB VAL A 63 8.543 -0.020 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.790 -1.447 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.270 -1.422 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.907 -2.832 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.910 -1.162 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.034 -2.531 4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.479 -0.928 5.078 1.00 0.00 H new ATOM 979 N PHE A 64 10.593 -0.070 1.039 1.00 0.00 N ATOM 980 CA PHE A 64 11.162 0.275 -0.253 1.00 0.00 C ATOM 981 C PHE A 64 12.650 0.610 -0.125 1.00 0.00 C ATOM 982 O PHE A 64 13.498 -0.094 -0.671 1.00 0.00 O ATOM 983 CB PHE A 64 10.414 1.511 -0.756 1.00 0.00 C ATOM 984 CG PHE A 64 8.891 1.361 -0.750 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.289 0.506 -1.619 1.00 0.00 C ATOM 986 CD2 PHE A 64 8.140 2.084 0.123 1.00 0.00 C ATOM 987 CE1 PHE A 64 6.876 0.368 -1.614 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.727 1.945 0.129 1.00 0.00 C ATOM 989 CZ PHE A 64 6.125 1.090 -0.740 1.00 0.00 C ATOM 0 H PHE A 64 10.097 0.691 1.504 1.00 0.00 H new ATOM 0 HA PHE A 64 11.064 -0.566 -0.939 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.687 2.366 -0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.743 1.734 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.885 -0.068 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.618 2.764 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.397 -0.311 -2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.131 2.518 0.823 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.050 0.984 -0.736 1.00 0.00 H new ATOM 999 N GLY A 65 12.920 1.686 0.599 1.00 0.00 N ATOM 1000 CA GLY A 65 14.290 2.124 0.805 1.00 0.00 C ATOM 1001 C GLY A 65 14.570 3.425 0.050 1.00 0.00 C ATOM 1002 O GLY A 65 15.726 3.771 -0.190 1.00 0.00 O ATOM 0 H GLY A 65 12.214 2.267 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.472 2.271 1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.978 1.349 0.468 1.00 0.00 H new ATOM 1006 N GLU A 66 13.493 4.110 -0.303 1.00 0.00 N ATOM 1007 CA GLU A 66 13.607 5.365 -1.026 1.00 0.00 C ATOM 1008 C GLU A 66 12.875 6.479 -0.276 1.00 0.00 C ATOM 1009 O GLU A 66 11.825 6.244 0.321 1.00 0.00 O ATOM 1010 CB GLU A 66 13.077 5.225 -2.455 1.00 0.00 C ATOM 1011 CG GLU A 66 13.787 4.090 -3.195 1.00 0.00 C ATOM 1012 CD GLU A 66 12.890 3.501 -4.286 1.00 0.00 C ATOM 1013 OE1 GLU A 66 12.377 4.306 -5.093 1.00 0.00 O ATOM 1014 OE2 GLU A 66 12.739 2.261 -4.288 1.00 0.00 O ATOM 0 H GLU A 66 12.536 3.820 -0.102 1.00 0.00 H new ATOM 0 HA GLU A 66 14.662 5.630 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.004 5.033 -2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.222 6.161 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.710 4.462 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.066 3.309 -2.488 1.00 0.00 H new ATOM 1021 N GLU A 67 13.457 7.668 -0.330 1.00 0.00 N ATOM 1022 CA GLU A 67 12.873 8.819 0.337 1.00 0.00 C ATOM 1023 C GLU A 67 11.372 8.895 0.047 1.00 0.00 C ATOM 1024 O GLU A 67 10.568 9.066 0.961 1.00 0.00 O ATOM 1025 CB GLU A 67 13.578 10.111 -0.080 1.00 0.00 C ATOM 1026 CG GLU A 67 13.564 10.277 -1.601 1.00 0.00 C ATOM 1027 CD GLU A 67 14.511 11.396 -2.039 1.00 0.00 C ATOM 1028 OE1 GLU A 67 15.616 11.465 -1.458 1.00 0.00 O ATOM 1029 OE2 GLU A 67 14.109 12.158 -2.944 1.00 0.00 O ATOM 0 H GLU A 67 14.328 7.859 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 67 13.010 8.700 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.087 10.965 0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.607 10.100 0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.858 9.341 -2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.551 10.500 -1.937 1.00 0.00 H new ATOM 1036 N LYS A 68 11.041 8.765 -1.230 1.00 0.00 N ATOM 1037 CA LYS A 68 9.652 8.817 -1.652 1.00 0.00 C ATOM 1038 C LYS A 68 9.405 7.742 -2.711 1.00 0.00 C ATOM 1039 O LYS A 68 10.350 7.174 -3.257 1.00 0.00 O ATOM 1040 CB LYS A 68 9.285 10.229 -2.112 1.00 0.00 C ATOM 1041 CG LYS A 68 10.044 10.606 -3.386 1.00 0.00 C ATOM 1042 CD LYS A 68 9.268 11.644 -4.199 1.00 0.00 C ATOM 1043 CE LYS A 68 9.596 11.530 -5.689 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.519 12.612 -6.101 1.00 0.00 N ATOM 0 H LYS A 68 11.711 8.624 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 68 8.990 8.597 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.212 10.289 -2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.516 10.944 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.025 11.002 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.211 9.715 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.198 11.504 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.512 12.645 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.049 10.560 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.678 11.584 -6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.731 12.520 -7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.074 13.535 -5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.401 12.542 -5.555 1.00 0.00 H new ATOM 1058 N LEU A 69 8.129 7.493 -2.970 1.00 0.00 N ATOM 1059 CA LEU A 69 7.746 6.496 -3.954 1.00 0.00 C ATOM 1060 C LEU A 69 6.431 6.916 -4.614 1.00 0.00 C ATOM 1061 O LEU A 69 5.751 7.820 -4.131 1.00 0.00 O ATOM 1062 CB LEU A 69 7.697 5.105 -3.317 1.00 0.00 C ATOM 1063 CG LEU A 69 8.427 3.995 -4.075 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.340 3.200 -3.139 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.437 3.091 -4.812 1.00 0.00 C ATOM 0 H LEU A 69 7.348 7.965 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 69 8.495 6.434 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.119 5.171 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.652 4.815 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 69 9.063 4.459 -4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.847 2.417 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.081 3.868 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.744 2.748 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.982 2.311 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.757 2.634 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.865 3.684 -5.526 1.00 0.00 H new ATOM 1077 N LYS A 70 6.112 6.240 -5.708 1.00 0.00 N ATOM 1078 CA LYS A 70 4.891 6.531 -6.439 1.00 0.00 C ATOM 1079 C LYS A 70 3.744 5.698 -5.861 1.00 0.00 C ATOM 1080 O LYS A 70 3.946 4.554 -5.459 1.00 0.00 O ATOM 1081 CB LYS A 70 5.103 6.327 -7.940 1.00 0.00 C ATOM 1082 CG LYS A 70 6.413 6.969 -8.401 1.00 0.00 C ATOM 1083 CD LYS A 70 6.787 6.502 -9.809 1.00 0.00 C ATOM 1084 CE LYS A 70 8.287 6.214 -9.911 1.00 0.00 C ATOM 1085 NZ LYS A 70 8.624 5.693 -11.254 1.00 0.00 N ATOM 0 H LYS A 70 6.679 5.491 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 70 4.616 7.579 -6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.117 5.261 -8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.268 6.760 -8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.314 8.054 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.212 6.713 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.223 5.604 -10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.510 7.266 -10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.852 7.125 -9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.577 5.489 -9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.638 5.835 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.403 4.678 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.068 6.199 -11.972 1.00 0.00 H new ATOM 1099 N PHE A 71 2.567 6.306 -5.839 1.00 0.00 N ATOM 1100 CA PHE A 71 1.389 5.635 -5.317 1.00 0.00 C ATOM 1101 C PHE A 71 1.058 4.388 -6.141 1.00 0.00 C ATOM 1102 O PHE A 71 0.374 3.485 -5.660 1.00 0.00 O ATOM 1103 CB PHE A 71 0.226 6.624 -5.423 1.00 0.00 C ATOM 1104 CG PHE A 71 0.031 7.490 -4.177 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.091 6.905 -2.955 1.00 0.00 C ATOM 1106 CD2 PHE A 71 -0.021 8.844 -4.291 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.273 7.709 -1.798 1.00 0.00 C ATOM 1108 CE2 PHE A 71 -0.202 9.648 -3.134 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.324 9.063 -1.913 1.00 0.00 C ATOM 0 H PHE A 71 2.404 7.256 -6.174 1.00 0.00 H new ATOM 0 HA PHE A 71 1.565 5.322 -4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.392 7.274 -6.282 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.693 6.070 -5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.050 5.830 -2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.075 9.308 -5.261 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.371 7.245 -0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.243 10.723 -3.224 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.462 9.674 -1.033 1.00 0.00 H new ATOM 1119 N THR A 72 1.559 4.378 -7.367 1.00 0.00 N ATOM 1120 CA THR A 72 1.326 3.257 -8.262 1.00 0.00 C ATOM 1121 C THR A 72 2.440 2.219 -8.118 1.00 0.00 C ATOM 1122 O THR A 72 2.174 1.019 -8.072 1.00 0.00 O ATOM 1123 CB THR A 72 1.187 3.808 -9.683 1.00 0.00 C ATOM 1124 OG1 THR A 72 2.380 4.561 -9.881 1.00 0.00 O ATOM 1125 CG2 THR A 72 0.067 4.843 -9.803 1.00 0.00 C ATOM 0 H THR A 72 2.126 5.128 -7.762 1.00 0.00 H new ATOM 0 HA THR A 72 0.404 2.734 -8.009 1.00 0.00 H new ATOM 0 HB THR A 72 0.996 2.987 -10.374 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.374 4.953 -10.779 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.011 5.201 -10.831 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.883 4.385 -9.527 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.273 5.681 -9.137 1.00 0.00 H new ATOM 1133 N MET A 73 3.666 2.719 -8.052 1.00 0.00 N ATOM 1134 CA MET A 73 4.822 1.850 -7.915 1.00 0.00 C ATOM 1135 C MET A 73 4.645 0.882 -6.743 1.00 0.00 C ATOM 1136 O MET A 73 5.050 -0.276 -6.823 1.00 0.00 O ATOM 1137 CB MET A 73 6.075 2.698 -7.692 1.00 0.00 C ATOM 1138 CG MET A 73 6.447 3.471 -8.959 1.00 0.00 C ATOM 1139 SD MET A 73 7.455 2.451 -10.022 1.00 0.00 S ATOM 1140 CE MET A 73 6.218 1.901 -11.186 1.00 0.00 C ATOM 0 H MET A 73 3.883 3.715 -8.091 1.00 0.00 H new ATOM 0 HA MET A 73 4.925 1.267 -8.830 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.905 3.396 -6.873 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.905 2.056 -7.397 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.544 3.778 -9.486 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.987 4.380 -8.695 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.656 1.166 -11.862 1.00 0.00 H new ATOM 0 HE2 MET A 73 5.386 1.448 -10.646 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.856 2.753 -11.762 1.00 0.00 H new ATOM 1150 N VAL A 74 4.038 1.394 -5.682 1.00 0.00 N ATOM 1151 CA VAL A 74 3.802 0.589 -4.495 1.00 0.00 C ATOM 1152 C VAL A 74 3.335 -0.806 -4.914 1.00 0.00 C ATOM 1153 O VAL A 74 3.680 -1.798 -4.274 1.00 0.00 O ATOM 1154 CB VAL A 74 2.811 1.299 -3.571 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.446 0.415 -2.376 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.363 2.648 -3.107 1.00 0.00 C ATOM 0 H VAL A 74 3.703 2.355 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 74 4.724 0.465 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 74 1.900 1.488 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.740 0.943 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.991 -0.509 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.347 0.180 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.639 3.132 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.296 2.492 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.549 3.283 -3.974 1.00 0.00 H new ATOM 1166 N SER A 75 2.558 -0.838 -5.986 1.00 0.00 N ATOM 1167 CA SER A 75 2.040 -2.095 -6.499 1.00 0.00 C ATOM 1168 C SER A 75 3.196 -3.000 -6.929 1.00 0.00 C ATOM 1169 O SER A 75 3.264 -4.160 -6.524 1.00 0.00 O ATOM 1170 CB SER A 75 1.084 -1.861 -7.670 1.00 0.00 C ATOM 1171 OG SER A 75 0.619 -3.084 -8.233 1.00 0.00 O ATOM 0 H SER A 75 2.274 -0.013 -6.514 1.00 0.00 H new ATOM 0 HA SER A 75 1.480 -2.585 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.232 -1.272 -7.330 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.589 -1.277 -8.439 1.00 0.00 H new ATOM 0 HG SER A 75 0.010 -2.891 -8.976 1.00 0.00 H new ATOM 1177 N GLN A 76 4.075 -2.437 -7.744 1.00 0.00 N ATOM 1178 CA GLN A 76 5.224 -3.179 -8.234 1.00 0.00 C ATOM 1179 C GLN A 76 6.418 -2.988 -7.295 1.00 0.00 C ATOM 1180 O GLN A 76 7.566 -3.003 -7.736 1.00 0.00 O ATOM 1181 CB GLN A 76 5.578 -2.762 -9.663 1.00 0.00 C ATOM 1182 CG GLN A 76 6.128 -1.335 -9.697 1.00 0.00 C ATOM 1183 CD GLN A 76 7.340 -1.237 -10.626 1.00 0.00 C ATOM 1184 OE1 GLN A 76 7.321 -1.679 -11.763 1.00 0.00 O ATOM 1185 NE2 GLN A 76 8.393 -0.634 -10.080 1.00 0.00 N ATOM 0 H GLN A 76 4.015 -1.475 -8.078 1.00 0.00 H new ATOM 0 HA GLN A 76 4.967 -4.238 -8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.317 -3.450 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.693 -2.830 -10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.350 -0.650 -10.034 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.411 -1.026 -8.691 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.342 -0.287 -9.122 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.251 -0.519 -10.619 1.00 0.00 H new ATOM 1194 N LYS A 77 6.105 -2.813 -6.020 1.00 0.00 N ATOM 1195 CA LYS A 77 7.138 -2.620 -5.016 1.00 0.00 C ATOM 1196 C LYS A 77 6.850 -3.522 -3.814 1.00 0.00 C ATOM 1197 O LYS A 77 7.747 -4.198 -3.312 1.00 0.00 O ATOM 1198 CB LYS A 77 7.265 -1.138 -4.656 1.00 0.00 C ATOM 1199 CG LYS A 77 7.641 -0.306 -5.884 1.00 0.00 C ATOM 1200 CD LYS A 77 9.141 -0.008 -5.905 1.00 0.00 C ATOM 1201 CE LYS A 77 9.444 1.220 -6.766 1.00 0.00 C ATOM 1202 NZ LYS A 77 10.825 1.154 -7.295 1.00 0.00 N ATOM 0 H LYS A 77 5.151 -2.801 -5.659 1.00 0.00 H new ATOM 0 HA LYS A 77 8.111 -2.914 -5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.323 -0.778 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.021 -1.012 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.360 -0.842 -6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.081 0.629 -5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.496 0.160 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.682 -0.871 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.734 1.277 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.318 2.127 -6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.014 1.995 -7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.499 1.122 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.933 0.299 -7.877 1.00 0.00 H new ATOM 1216 N ILE A 78 5.595 -3.505 -3.389 1.00 0.00 N ATOM 1217 CA ILE A 78 5.178 -4.313 -2.255 1.00 0.00 C ATOM 1218 C ILE A 78 5.284 -5.794 -2.624 1.00 0.00 C ATOM 1219 O ILE A 78 5.614 -6.625 -1.780 1.00 0.00 O ATOM 1220 CB ILE A 78 3.784 -3.895 -1.784 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.743 -4.119 -2.883 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.785 -2.450 -1.281 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.795 -5.262 -2.515 1.00 0.00 C ATOM 0 H ILE A 78 4.854 -2.945 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 78 5.840 -4.148 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 78 3.504 -4.528 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.172 -3.204 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.245 -4.346 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.782 -2.178 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.479 -2.356 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.095 -1.785 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.065 -5.400 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.367 -6.181 -2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.277 -5.020 -1.587 1.00 0.00 H new ATOM 1235 N SER A 79 4.999 -6.079 -3.886 1.00 0.00 N ATOM 1236 CA SER A 79 5.058 -7.445 -4.377 1.00 0.00 C ATOM 1237 C SER A 79 6.291 -8.152 -3.810 1.00 0.00 C ATOM 1238 O SER A 79 6.171 -9.183 -3.151 1.00 0.00 O ATOM 1239 CB SER A 79 5.083 -7.480 -5.906 1.00 0.00 C ATOM 1240 OG SER A 79 6.348 -7.086 -6.429 1.00 0.00 O ATOM 0 H SER A 79 4.726 -5.387 -4.584 1.00 0.00 H new ATOM 0 HA SER A 79 4.162 -7.967 -4.043 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.847 -8.487 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.308 -6.820 -6.296 1.00 0.00 H new ATOM 0 HG SER A 79 6.323 -7.123 -7.408 1.00 0.00 H new ATOM 1246 N HIS A 80 7.448 -7.568 -4.087 1.00 0.00 N ATOM 1247 CA HIS A 80 8.701 -8.129 -3.613 1.00 0.00 C ATOM 1248 C HIS A 80 8.556 -8.543 -2.147 1.00 0.00 C ATOM 1249 O HIS A 80 9.103 -9.563 -1.729 1.00 0.00 O ATOM 1250 CB HIS A 80 9.855 -7.151 -3.841 1.00 0.00 C ATOM 1251 CG HIS A 80 10.905 -7.654 -4.804 1.00 0.00 C ATOM 1252 ND1 HIS A 80 10.994 -7.214 -6.113 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.909 -8.561 -4.633 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.008 -7.836 -6.695 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.574 -8.671 -5.777 1.00 0.00 N ATOM 0 H HIS A 80 7.543 -6.712 -4.634 1.00 0.00 H new ATOM 0 HA HIS A 80 8.942 -9.025 -4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.452 -6.211 -4.217 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.329 -6.934 -2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.126 -9.099 -3.722 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.330 -7.705 -7.717 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.376 -9.280 -5.942 1.00 0.00 H new ATOM 1263 N HIS A 81 7.817 -7.731 -1.407 1.00 0.00 N ATOM 1264 CA HIS A 81 7.593 -8.000 0.004 1.00 0.00 C ATOM 1265 C HIS A 81 6.544 -9.103 0.155 1.00 0.00 C ATOM 1266 O HIS A 81 6.659 -9.958 1.032 1.00 0.00 O ATOM 1267 CB HIS A 81 7.216 -6.718 0.748 1.00 0.00 C ATOM 1268 CG HIS A 81 8.310 -5.677 0.771 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.459 -5.812 1.531 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.419 -4.484 0.118 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.217 -4.743 1.338 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.571 -3.921 0.462 1.00 0.00 N ATOM 0 H HIS A 81 7.365 -6.886 -1.757 1.00 0.00 H new ATOM 0 HA HIS A 81 8.516 -8.358 0.461 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.329 -6.288 0.283 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.948 -6.971 1.774 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.691 -4.068 -0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.178 -4.555 1.794 1.00 0.00 H new ATOM 0 HE2 HIS A 81 9.916 -3.022 0.126 1.00 0.00 H new ATOM 1280 N LEU A 82 5.544 -9.048 -0.712 1.00 0.00 N ATOM 1281 CA LEU A 82 4.475 -10.032 -0.686 1.00 0.00 C ATOM 1282 C LEU A 82 5.079 -11.437 -0.748 1.00 0.00 C ATOM 1283 O LEU A 82 6.018 -11.679 -1.505 1.00 0.00 O ATOM 1284 CB LEU A 82 3.459 -9.750 -1.794 1.00 0.00 C ATOM 1285 CG LEU A 82 2.894 -8.328 -1.840 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.834 -8.195 -2.935 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.360 -7.906 -0.470 1.00 0.00 C ATOM 0 H LEU A 82 5.451 -8.337 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 82 3.919 -9.965 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.929 -9.964 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.628 -10.447 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 82 3.705 -7.645 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.449 -7.175 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.280 -8.425 -3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.017 -8.889 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.964 -6.892 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.567 -8.587 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.168 -7.937 0.261 1.00 0.00 H new ATOM 1299 N SER A 83 4.515 -12.325 0.057 1.00 0.00 N ATOM 1300 CA SER A 83 4.986 -13.699 0.103 1.00 0.00 C ATOM 1301 C SER A 83 3.796 -14.660 0.120 1.00 0.00 C ATOM 1302 O SER A 83 2.695 -14.283 0.520 1.00 0.00 O ATOM 1303 CB SER A 83 5.877 -13.935 1.324 1.00 0.00 C ATOM 1304 OG SER A 83 5.697 -12.931 2.319 1.00 0.00 O ATOM 0 H SER A 83 3.736 -12.120 0.683 1.00 0.00 H new ATOM 0 HA SER A 83 5.583 -13.886 -0.790 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.655 -14.913 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.921 -13.953 1.012 1.00 0.00 H new ATOM 0 HG SER A 83 6.282 -13.118 3.082 1.00 0.00 H new ATOM 1310 N PRO A 84 4.064 -15.915 -0.331 1.00 0.00 N ATOM 1311 CA PRO A 84 3.028 -16.933 -0.371 1.00 0.00 C ATOM 1312 C PRO A 84 2.726 -17.463 1.032 1.00 0.00 C ATOM 1313 O PRO A 84 3.623 -17.940 1.725 1.00 0.00 O ATOM 1314 CB PRO A 84 3.563 -18.002 -1.308 1.00 0.00 C ATOM 1315 CG PRO A 84 5.063 -17.770 -1.392 1.00 0.00 C ATOM 1316 CD PRO A 84 5.355 -16.396 -0.812 1.00 0.00 C ATOM 0 HA PRO A 84 2.074 -16.549 -0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.343 -19.000 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.100 -17.926 -2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.600 -18.540 -0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.401 -17.827 -2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.082 -16.454 -0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.771 -15.728 -1.566 1.00 0.00 H new ATOM 1324 N PRO A 85 1.426 -17.360 1.419 1.00 0.00 N ATOM 1325 CA PRO A 85 0.995 -17.824 2.726 1.00 0.00 C ATOM 1326 C PRO A 85 0.923 -19.352 2.769 1.00 0.00 C ATOM 1327 O PRO A 85 1.093 -20.014 1.747 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.352 -17.159 2.955 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.839 -16.721 1.584 1.00 0.00 C ATOM 1330 CD PRO A 85 0.337 -16.801 0.624 1.00 0.00 C ATOM 0 HA PRO A 85 1.695 -17.559 3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.056 -17.851 3.417 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.257 -16.306 3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.653 -17.362 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.230 -15.704 1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.107 -17.434 -0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.597 -15.817 0.233 1.00 0.00 H new