USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 520 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00288 X(o=-0.0029,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.43 K(o=1.4,f=-3.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 19:sc= 0.0964 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0.711 (180deg=0.698) USER MOD Single : A 32 MET CE :methyl -126:sc= -1.17 (180deg=-1.6) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 91:sc= 1.08 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 48 CYS SG : rot 58:sc= 0.0879 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc=-0.00509 X(o=-0.0051,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0695 X(o=-0.069,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 1.18 (180deg=0.97) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 12.937 1.872 0.389 1.00 25.00 N ATOM 60 CA TYR A 5 13.599 0.608 0.720 1.00 25.00 C ATOM 61 C TYR A 5 13.106 -0.632 -0.049 1.00 25.00 C ATOM 62 O TYR A 5 12.121 -0.590 -0.773 1.00 25.00 O ATOM 63 CB TYR A 5 13.534 0.379 2.227 1.00 25.00 C ATOM 64 CG TYR A 5 14.433 1.321 3.022 1.00 25.00 C ATOM 65 CD1 TYR A 5 13.923 2.086 4.094 1.00 25.00 C ATOM 66 CD2 TYR A 5 15.819 1.430 2.724 1.00 25.00 C ATOM 67 CE1 TYR A 5 14.773 2.944 4.845 1.00 25.00 C ATOM 68 CE2 TYR A 5 16.663 2.283 3.480 1.00 25.00 C ATOM 69 CZ TYR A 5 16.133 3.025 4.533 1.00 25.00 C ATOM 70 OH TYR A 5 16.955 3.845 5.268 1.00 25.00 O ATOM 0 HA TYR A 5 14.631 0.725 0.388 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.504 0.503 2.562 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.818 -0.651 2.443 1.00 25.00 H new ATOM 0 HD1 TYR A 5 12.875 2.019 4.346 1.00 25.00 H new ATOM 0 HD2 TYR A 5 16.235 0.855 1.910 1.00 25.00 H new ATOM 0 HE1 TYR A 5 14.368 3.532 5.655 1.00 25.00 H new ATOM 0 HE2 TYR A 5 17.713 2.357 3.240 1.00 25.00 H new ATOM 0 HH TYR A 5 17.870 3.785 4.923 1.00 25.00 H new ATOM 80 N LEU A 6 13.871 -1.709 0.058 1.00 25.00 N ATOM 81 CA LEU A 6 13.611 -2.945 -0.683 1.00 25.00 C ATOM 82 C LEU A 6 12.412 -3.710 -0.104 1.00 25.00 C ATOM 83 O LEU A 6 11.611 -4.261 -0.844 1.00 25.00 O ATOM 84 CB LEU A 6 14.852 -3.851 -0.625 1.00 25.00 C ATOM 85 CG LEU A 6 16.200 -3.329 -1.152 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.302 -4.357 -0.832 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.164 -3.076 -2.654 1.00 25.00 C ATOM 0 H LEU A 6 14.692 -1.755 0.661 1.00 25.00 H new ATOM 0 HA LEU A 6 13.383 -2.673 -1.713 1.00 25.00 H new ATOM 0 HB2 LEU A 6 14.998 -4.138 0.416 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.617 -4.762 -1.176 1.00 25.00 H new ATOM 0 HG LEU A 6 16.408 -2.379 -0.660 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.259 -3.992 -1.204 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.363 -4.502 0.247 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.065 -5.306 -1.312 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.136 -2.708 -2.984 1.00 25.00 H new ATOM 0 HD22 LEU A 6 15.932 -4.005 -3.174 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.399 -2.333 -2.880 1.00 25.00 H new ATOM 99 N ASN A 7 12.335 -3.745 1.225 1.00 25.00 N ATOM 100 CA ASN A 7 11.264 -4.425 1.966 1.00 25.00 C ATOM 101 C ASN A 7 11.075 -5.891 1.567 1.00 25.00 C ATOM 102 O ASN A 7 9.960 -6.347 1.341 1.00 25.00 O ATOM 103 CB ASN A 7 9.944 -3.661 1.824 1.00 25.00 C ATOM 104 CG ASN A 7 10.053 -2.258 2.311 1.00 25.00 C ATOM 105 OD1 ASN A 7 10.248 -2.012 3.487 1.00 25.00 O ATOM 106 ND2 ASN A 7 9.973 -1.331 1.409 1.00 25.00 N ATOM 0 H ASN A 7 13.023 -3.296 1.830 1.00 25.00 H new ATOM 0 HA ASN A 7 11.576 -4.430 3.010 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.638 -3.658 0.778 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.164 -4.179 2.383 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.075 -0.351 1.674 1.00 25.00 H new ATOM 0 HD22 ASN A 7 9.808 -1.581 0.434 1.00 25.00 H new ATOM 113 N VAL A 8 12.169 -6.639 1.502 1.00 25.00 N ATOM 114 CA VAL A 8 12.121 -8.059 1.143 1.00 25.00 C ATOM 115 C VAL A 8 12.285 -8.864 2.421 1.00 25.00 C ATOM 116 O VAL A 8 12.858 -8.388 3.387 1.00 25.00 O ATOM 117 CB VAL A 8 13.210 -8.442 0.072 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.682 -7.215 -0.678 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.420 -9.134 0.701 1.00 25.00 C ATOM 0 H VAL A 8 13.107 -6.288 1.694 1.00 25.00 H new ATOM 0 HA VAL A 8 11.163 -8.285 0.675 1.00 25.00 H new ATOM 0 HB VAL A 8 12.733 -9.138 -0.618 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.434 -7.504 -1.412 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.837 -6.752 -1.187 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.116 -6.504 0.025 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.144 -9.379 -0.076 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.882 -8.468 1.430 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.098 -10.049 1.198 1.00 25.00 H new ATOM 129 N LEU A 9 11.789 -10.088 2.437 1.00 25.00 N ATOM 130 CA LEU A 9 11.919 -10.930 3.630 1.00 25.00 C ATOM 131 C LEU A 9 13.193 -11.755 3.548 1.00 25.00 C ATOM 132 O LEU A 9 13.543 -12.267 2.479 1.00 25.00 O ATOM 133 CB LEU A 9 10.703 -11.849 3.761 1.00 25.00 C ATOM 134 CG LEU A 9 9.346 -11.136 3.873 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.237 -12.184 3.963 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.271 -10.201 5.089 1.00 25.00 C ATOM 0 H LEU A 9 11.299 -10.523 1.655 1.00 25.00 H new ATOM 0 HA LEU A 9 11.970 -10.289 4.510 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.675 -12.512 2.896 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.837 -12.478 4.641 1.00 25.00 H new ATOM 0 HG LEU A 9 9.222 -10.518 2.984 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.271 -11.686 4.043 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.251 -12.807 3.068 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.397 -12.808 4.842 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.292 -9.723 5.121 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.423 -10.778 6.001 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.045 -9.438 5.009 1.00 25.00 H new ATOM 148 N ALA A 10 13.873 -11.907 4.671 1.00 25.00 N ATOM 149 CA ALA A 10 15.077 -12.734 4.733 1.00 25.00 C ATOM 150 C ALA A 10 15.063 -13.573 6.007 1.00 25.00 C ATOM 151 O ALA A 10 14.617 -13.109 7.042 1.00 25.00 O ATOM 152 CB ALA A 10 16.315 -11.861 4.687 1.00 25.00 C ATOM 0 H ALA A 10 13.616 -11.470 5.556 1.00 25.00 H new ATOM 0 HA ALA A 10 15.095 -13.402 3.872 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.205 -12.489 4.734 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.323 -11.289 3.759 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.309 -11.176 5.535 1.00 25.00 H new ATOM 158 N LYS A 11 15.552 -14.803 5.909 1.00 25.00 N ATOM 159 CA LYS A 11 15.593 -15.727 7.053 1.00 25.00 C ATOM 160 C LYS A 11 17.006 -15.837 7.615 1.00 25.00 C ATOM 161 O LYS A 11 17.970 -15.993 6.862 1.00 25.00 O ATOM 162 CB LYS A 11 15.120 -17.125 6.645 1.00 25.00 C ATOM 163 CG LYS A 11 15.183 -18.160 7.780 1.00 25.00 C ATOM 164 CD LYS A 11 14.442 -19.469 7.450 1.00 25.00 C ATOM 165 CE LYS A 11 12.926 -19.300 7.557 1.00 25.00 C ATOM 166 NZ LYS A 11 12.172 -20.604 7.449 1.00 25.00 N ATOM 0 H LYS A 11 15.930 -15.193 5.046 1.00 25.00 H new ATOM 0 HA LYS A 11 14.927 -15.324 7.816 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.094 -17.059 6.283 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.730 -17.476 5.813 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.227 -18.386 7.999 1.00 25.00 H new ATOM 0 HG3 LYS A 11 14.755 -17.726 8.683 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.703 -19.791 6.442 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.770 -20.255 8.130 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.686 -18.827 8.509 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.586 -18.625 6.771 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.151 -20.422 7.529 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.374 -21.047 6.530 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.471 -21.242 8.214 1.00 25.00 H new ATOM 180 N ALA A 12 17.108 -15.819 8.931 1.00 25.00 N ATOM 181 CA ALA A 12 18.376 -16.023 9.622 1.00 25.00 C ATOM 182 C ALA A 12 18.769 -17.503 9.565 1.00 25.00 C ATOM 183 O ALA A 12 17.959 -18.376 9.881 1.00 25.00 O ATOM 184 CB ALA A 12 18.232 -15.575 11.058 1.00 25.00 C ATOM 0 H ALA A 12 16.316 -15.663 9.555 1.00 25.00 H new ATOM 0 HA ALA A 12 19.158 -15.438 9.137 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.176 -15.724 11.582 1.00 25.00 H new ATOM 0 HB2 ALA A 12 17.965 -14.518 11.085 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.451 -16.159 11.545 1.00 25.00 H new ATOM 190 N LEU A 13 20.011 -17.787 9.200 1.00 25.00 N ATOM 191 CA LEU A 13 20.507 -19.165 9.180 1.00 25.00 C ATOM 192 C LEU A 13 21.197 -19.498 10.478 1.00 25.00 C ATOM 193 O LEU A 13 21.446 -20.664 10.776 1.00 25.00 O ATOM 194 CB LEU A 13 21.527 -19.367 8.069 1.00 25.00 C ATOM 195 CG LEU A 13 21.116 -19.219 6.602 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.647 -19.578 6.344 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.418 -17.831 6.110 1.00 25.00 C ATOM 0 H LEU A 13 20.696 -17.087 8.914 1.00 25.00 H new ATOM 0 HA LEU A 13 19.642 -19.809 9.021 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.341 -18.664 8.248 1.00 25.00 H new ATOM 0 HB3 LEU A 13 21.939 -20.369 8.188 1.00 25.00 H new ATOM 0 HG LEU A 13 21.709 -19.939 6.039 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.422 -19.451 5.285 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.470 -20.614 6.631 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.004 -18.924 6.932 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.120 -17.742 5.065 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.867 -17.105 6.708 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.487 -17.638 6.200 1.00 25.00 H new ATOM 209 N TYR A 14 21.523 -18.467 11.240 1.00 25.00 N ATOM 210 CA TYR A 14 22.234 -18.626 12.510 1.00 25.00 C ATOM 211 C TYR A 14 21.710 -17.597 13.491 1.00 25.00 C ATOM 212 O TYR A 14 21.122 -16.595 13.075 1.00 25.00 O ATOM 213 CB TYR A 14 23.732 -18.405 12.307 1.00 25.00 C ATOM 214 CG TYR A 14 24.315 -19.239 11.180 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.734 -20.572 11.401 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.437 -18.706 9.883 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.258 -21.352 10.333 1.00 25.00 C ATOM 218 CE2 TYR A 14 24.956 -19.486 8.821 1.00 25.00 C ATOM 219 CZ TYR A 14 25.361 -20.800 9.055 1.00 25.00 C ATOM 220 OH TYR A 14 25.861 -21.536 8.012 1.00 25.00 O ATOM 0 H TYR A 14 21.306 -17.499 11.003 1.00 25.00 H new ATOM 0 HA TYR A 14 22.073 -19.634 12.892 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.912 -17.350 12.099 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.256 -18.641 13.233 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.655 -21.001 12.389 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.130 -17.688 9.695 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.575 -22.369 10.511 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.038 -19.064 7.830 1.00 25.00 H new ATOM 0 HH TYR A 14 25.858 -20.992 7.197 1.00 25.00 H new ATOM 230 N ASP A 15 21.959 -17.820 14.772 1.00 25.00 N ATOM 231 CA ASP A 15 21.641 -16.835 15.802 1.00 25.00 C ATOM 232 C ASP A 15 22.593 -15.656 15.629 1.00 25.00 C ATOM 233 O ASP A 15 23.715 -15.820 15.125 1.00 25.00 O ATOM 234 CB ASP A 15 21.848 -17.425 17.212 1.00 25.00 C ATOM 235 CG ASP A 15 20.693 -18.316 17.663 1.00 25.00 C ATOM 236 OD1 ASP A 15 19.959 -18.865 16.815 1.00 25.00 O ATOM 237 OD2 ASP A 15 20.516 -18.469 18.888 1.00 25.00 O ATOM 0 H ASP A 15 22.382 -18.677 15.127 1.00 25.00 H new ATOM 0 HA ASP A 15 20.599 -16.532 15.700 1.00 25.00 H new ATOM 0 HB2 ASP A 15 22.772 -18.003 17.226 1.00 25.00 H new ATOM 0 HB3 ASP A 15 21.971 -16.611 17.926 1.00 25.00 H new ATOM 242 N ASN A 16 22.178 -14.482 16.070 1.00 25.00 N ATOM 243 CA ASN A 16 23.048 -13.312 16.065 1.00 25.00 C ATOM 244 C ASN A 16 22.842 -12.530 17.344 1.00 25.00 C ATOM 245 O ASN A 16 21.705 -12.244 17.728 1.00 25.00 O ATOM 246 CB ASN A 16 22.768 -12.399 14.871 1.00 25.00 C ATOM 247 CG ASN A 16 23.906 -11.449 14.604 1.00 25.00 C ATOM 248 OD1 ASN A 16 25.024 -11.883 14.354 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.654 -10.173 14.677 1.00 25.00 N ATOM 0 H ASN A 16 21.242 -14.310 16.438 1.00 25.00 H new ATOM 0 HA ASN A 16 24.077 -13.662 15.989 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.589 -13.007 13.984 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.857 -11.830 15.056 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.401 -9.496 14.524 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.709 -9.851 14.888 1.00 25.00 H new ATOM 256 N VAL A 17 23.936 -12.151 17.981 1.00 25.00 N ATOM 257 CA VAL A 17 23.894 -11.308 19.162 1.00 25.00 C ATOM 258 C VAL A 17 24.484 -9.997 18.693 1.00 25.00 C ATOM 259 O VAL A 17 25.551 -9.969 18.081 1.00 25.00 O ATOM 260 CB VAL A 17 24.716 -11.910 20.331 1.00 25.00 C ATOM 261 CG1 VAL A 17 24.724 -10.967 21.548 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.135 -13.279 20.749 1.00 25.00 C ATOM 0 H VAL A 17 24.877 -12.419 17.694 1.00 25.00 H new ATOM 0 HA VAL A 17 22.883 -11.199 19.556 1.00 25.00 H new ATOM 0 HB VAL A 17 25.740 -12.040 19.982 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.308 -11.415 22.352 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.168 -10.012 21.266 1.00 25.00 H new ATOM 0 HG13 VAL A 17 23.702 -10.805 21.889 1.00 25.00 H new ATOM 0 HG21 VAL A 17 24.723 -13.688 21.570 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.101 -13.153 21.071 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.170 -13.963 19.901 1.00 25.00 H new ATOM 272 N ALA A 18 23.735 -8.932 18.904 1.00 25.00 N ATOM 273 CA ALA A 18 24.134 -7.609 18.473 1.00 25.00 C ATOM 274 C ALA A 18 25.233 -7.093 19.394 1.00 25.00 C ATOM 275 O ALA A 18 25.069 -7.079 20.611 1.00 25.00 O ATOM 276 CB ALA A 18 22.925 -6.683 18.509 1.00 25.00 C ATOM 0 H ALA A 18 22.833 -8.961 19.379 1.00 25.00 H new ATOM 0 HA ALA A 18 24.517 -7.645 17.453 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.221 -5.685 18.185 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.153 -7.067 17.842 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.535 -6.633 19.526 1.00 25.00 H new ATOM 282 N GLU A 19 26.347 -6.685 18.808 1.00 25.00 N ATOM 283 CA GLU A 19 27.464 -6.137 19.581 1.00 25.00 C ATOM 284 C GLU A 19 27.467 -4.626 19.440 1.00 25.00 C ATOM 285 O GLU A 19 27.821 -3.897 20.363 1.00 25.00 O ATOM 286 CB GLU A 19 28.792 -6.705 19.071 1.00 25.00 C ATOM 287 CG GLU A 19 28.960 -8.195 19.342 1.00 25.00 C ATOM 288 CD GLU A 19 30.261 -8.740 18.783 1.00 25.00 C ATOM 289 OE1 GLU A 19 30.315 -9.008 17.555 1.00 25.00 O ATOM 290 OE2 GLU A 19 31.217 -8.946 19.555 1.00 25.00 O ATOM 0 H GLU A 19 26.508 -6.720 17.801 1.00 25.00 H new ATOM 0 HA GLU A 19 27.347 -6.413 20.629 1.00 25.00 H new ATOM 0 HB2 GLU A 19 28.865 -6.528 17.998 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.614 -6.164 19.540 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.927 -8.372 20.417 1.00 25.00 H new ATOM 0 HG3 GLU A 19 28.123 -8.738 18.903 1.00 25.00 H new ATOM 297 N SER A 20 27.044 -4.164 18.275 1.00 25.00 N ATOM 298 CA SER A 20 26.985 -2.736 17.991 1.00 25.00 C ATOM 299 C SER A 20 25.589 -2.215 18.286 1.00 25.00 C ATOM 300 O SER A 20 24.610 -2.943 18.142 1.00 25.00 O ATOM 301 CB SER A 20 27.342 -2.490 16.528 1.00 25.00 C ATOM 302 OG SER A 20 28.636 -2.995 16.253 1.00 25.00 O ATOM 0 H SER A 20 26.735 -4.759 17.506 1.00 25.00 H new ATOM 0 HA SER A 20 27.700 -2.208 18.623 1.00 25.00 H new ATOM 0 HB2 SER A 20 26.610 -2.972 15.881 1.00 25.00 H new ATOM 0 HB3 SER A 20 27.306 -1.422 16.311 1.00 25.00 H new ATOM 0 HG SER A 20 28.857 -2.835 15.312 1.00 25.00 H new ATOM 308 N PRO A 21 25.464 -0.927 18.658 1.00 25.00 N ATOM 309 CA PRO A 21 24.127 -0.369 18.905 1.00 25.00 C ATOM 310 C PRO A 21 23.313 -0.229 17.625 1.00 25.00 C ATOM 311 O PRO A 21 22.105 0.003 17.675 1.00 25.00 O ATOM 312 CB PRO A 21 24.437 0.994 19.531 1.00 25.00 C ATOM 313 CG PRO A 21 25.749 1.366 18.931 1.00 25.00 C ATOM 314 CD PRO A 21 26.516 0.091 18.854 1.00 25.00 C ATOM 0 HA PRO A 21 23.514 -1.008 19.541 1.00 25.00 H new ATOM 0 HB2 PRO A 21 23.666 1.728 19.295 1.00 25.00 H new ATOM 0 HB3 PRO A 21 24.496 0.932 20.618 1.00 25.00 H new ATOM 0 HG2 PRO A 21 25.620 1.808 17.943 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.268 2.102 19.544 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.227 0.099 18.028 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.087 -0.091 19.765 1.00 25.00 H new ATOM 322 N ASP A 22 23.966 -0.389 16.489 1.00 25.00 N ATOM 323 CA ASP A 22 23.321 -0.317 15.198 1.00 25.00 C ATOM 324 C ASP A 22 22.915 -1.705 14.731 1.00 25.00 C ATOM 325 O ASP A 22 22.310 -1.826 13.700 1.00 25.00 O ATOM 326 CB ASP A 22 24.301 0.271 14.178 1.00 25.00 C ATOM 327 CG ASP A 22 23.944 1.685 13.785 1.00 25.00 C ATOM 328 OD1 ASP A 22 22.957 1.875 13.026 1.00 25.00 O ATOM 329 OD2 ASP A 22 24.643 2.619 14.234 1.00 25.00 O ATOM 0 H ASP A 22 24.968 -0.574 16.440 1.00 25.00 H new ATOM 0 HA ASP A 22 22.434 0.310 15.284 1.00 25.00 H new ATOM 0 HB2 ASP A 22 25.308 0.256 14.595 1.00 25.00 H new ATOM 0 HB3 ASP A 22 24.315 -0.358 13.288 1.00 25.00 H new ATOM 334 N GLU A 23 23.292 -2.753 15.453 1.00 25.00 N ATOM 335 CA GLU A 23 23.079 -4.124 14.983 1.00 25.00 C ATOM 336 C GLU A 23 21.819 -4.764 15.582 1.00 25.00 C ATOM 337 O GLU A 23 21.396 -4.414 16.683 1.00 25.00 O ATOM 338 CB GLU A 23 24.334 -4.949 15.322 1.00 25.00 C ATOM 339 CG GLU A 23 24.401 -6.318 14.656 1.00 25.00 C ATOM 340 CD GLU A 23 25.647 -7.098 15.007 1.00 25.00 C ATOM 341 OE1 GLU A 23 25.855 -8.165 14.383 1.00 25.00 O ATOM 342 OE2 GLU A 23 26.409 -6.696 15.922 1.00 25.00 O ATOM 0 H GLU A 23 23.746 -2.685 16.364 1.00 25.00 H new ATOM 0 HA GLU A 23 22.917 -4.104 13.905 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.216 -4.377 15.033 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.381 -5.084 16.403 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.525 -6.898 14.946 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.354 -6.190 13.575 1.00 25.00 H new ATOM 349 N LEU A 24 21.222 -5.699 14.851 1.00 25.00 N ATOM 350 CA LEU A 24 20.066 -6.457 15.349 1.00 25.00 C ATOM 351 C LEU A 24 20.461 -7.808 15.925 1.00 25.00 C ATOM 352 O LEU A 24 21.319 -8.505 15.387 1.00 25.00 O ATOM 353 CB LEU A 24 19.062 -6.733 14.232 1.00 25.00 C ATOM 354 CG LEU A 24 18.267 -5.535 13.696 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.337 -5.983 12.576 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.459 -4.878 14.811 1.00 25.00 C ATOM 0 H LEU A 24 21.516 -5.955 13.908 1.00 25.00 H new ATOM 0 HA LEU A 24 19.628 -5.834 16.128 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.600 -7.183 13.397 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.351 -7.477 14.592 1.00 25.00 H new ATOM 0 HG LEU A 24 18.974 -4.803 13.304 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.777 -5.125 12.203 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.925 -6.414 11.765 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.642 -6.731 12.957 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.904 -4.031 14.408 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.761 -5.603 15.230 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.134 -4.530 15.593 1.00 25.00 H new ATOM 368 N SER A 25 19.758 -8.211 16.972 1.00 25.00 N ATOM 369 CA SER A 25 19.920 -9.523 17.567 1.00 25.00 C ATOM 370 C SER A 25 18.695 -10.336 17.197 1.00 25.00 C ATOM 371 O SER A 25 17.577 -9.833 17.248 1.00 25.00 O ATOM 372 CB SER A 25 20.021 -9.412 19.083 1.00 25.00 C ATOM 373 OG SER A 25 18.880 -8.750 19.604 1.00 25.00 O ATOM 0 H SER A 25 19.056 -7.632 17.433 1.00 25.00 H new ATOM 0 HA SER A 25 20.832 -9.995 17.203 1.00 25.00 H new ATOM 0 HB2 SER A 25 20.106 -10.406 19.523 1.00 25.00 H new ATOM 0 HB3 SER A 25 20.924 -8.865 19.355 1.00 25.00 H new ATOM 0 HG SER A 25 18.158 -8.772 18.942 1.00 25.00 H new ATOM 379 N PHE A 26 18.917 -11.581 16.818 1.00 25.00 N ATOM 380 CA PHE A 26 17.838 -12.489 16.416 1.00 25.00 C ATOM 381 C PHE A 26 18.255 -13.954 16.511 1.00 25.00 C ATOM 382 O PHE A 26 19.423 -14.280 16.754 1.00 25.00 O ATOM 383 CB PHE A 26 17.399 -12.184 14.985 1.00 25.00 C ATOM 384 CG PHE A 26 18.524 -12.125 14.009 1.00 25.00 C ATOM 385 CD1 PHE A 26 19.146 -13.302 13.543 1.00 25.00 C ATOM 386 CD2 PHE A 26 18.965 -10.885 13.526 1.00 25.00 C ATOM 387 CE1 PHE A 26 20.192 -13.237 12.598 1.00 25.00 C ATOM 388 CE2 PHE A 26 19.999 -10.809 12.582 1.00 25.00 C ATOM 389 CZ PHE A 26 20.612 -11.997 12.111 1.00 25.00 C ATOM 0 H PHE A 26 19.847 -11.999 16.777 1.00 25.00 H new ATOM 0 HA PHE A 26 17.009 -12.327 17.105 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.690 -12.947 14.662 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.870 -11.231 14.973 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.819 -14.262 13.913 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.503 -9.977 13.885 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.666 -14.143 12.252 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.327 -9.848 12.215 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.402 -11.944 11.377 1.00 25.00 H new ATOM 399 N ARG A 27 17.288 -14.836 16.314 1.00 25.00 N ATOM 400 CA ARG A 27 17.468 -16.283 16.401 1.00 25.00 C ATOM 401 C ARG A 27 17.534 -16.888 14.998 1.00 25.00 C ATOM 402 O ARG A 27 16.940 -16.368 14.060 1.00 25.00 O ATOM 403 CB ARG A 27 16.242 -16.850 17.140 1.00 25.00 C ATOM 404 CG ARG A 27 16.370 -18.277 17.639 1.00 25.00 C ATOM 405 CD ARG A 27 17.183 -18.340 18.914 1.00 25.00 C ATOM 406 NE ARG A 27 17.417 -19.737 19.322 1.00 25.00 N ATOM 407 CZ ARG A 27 17.287 -20.216 20.549 1.00 25.00 C ATOM 408 NH1 ARG A 27 16.917 -19.469 21.563 1.00 25.00 N ATOM 409 NH2 ARG A 27 17.527 -21.480 20.765 1.00 25.00 N ATOM 0 H ARG A 27 16.333 -14.563 16.084 1.00 25.00 H new ATOM 0 HA ARG A 27 18.393 -16.522 16.926 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.026 -16.206 17.992 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.382 -16.795 16.472 1.00 25.00 H new ATOM 0 HG2 ARG A 27 15.378 -18.694 17.816 1.00 25.00 H new ATOM 0 HG3 ARG A 27 16.842 -18.892 16.873 1.00 25.00 H new ATOM 0 HD2 ARG A 27 18.138 -17.836 18.766 1.00 25.00 H new ATOM 0 HD3 ARG A 27 16.661 -17.808 19.709 1.00 25.00 H new ATOM 0 HE ARG A 27 17.704 -20.392 18.595 1.00 25.00 H new ATOM 0 HH11 ARG A 27 16.717 -18.479 21.421 1.00 25.00 H new ATOM 0 HH12 ARG A 27 16.829 -19.879 22.493 1.00 25.00 H new ATOM 0 HH21 ARG A 27 17.811 -22.084 19.994 1.00 25.00 H new ATOM 0 HH22 ARG A 27 17.431 -21.864 21.705 1.00 25.00 H new ATOM 423 N LYS A 28 18.182 -18.029 14.882 1.00 25.00 N ATOM 424 CA LYS A 28 18.140 -18.832 13.663 1.00 25.00 C ATOM 425 C LYS A 28 16.681 -19.115 13.338 1.00 25.00 C ATOM 426 O LYS A 28 15.915 -19.547 14.198 1.00 25.00 O ATOM 427 CB LYS A 28 18.890 -20.144 13.912 1.00 25.00 C ATOM 428 CG LYS A 28 18.872 -21.142 12.772 1.00 25.00 C ATOM 429 CD LYS A 28 19.808 -22.295 13.119 1.00 25.00 C ATOM 430 CE LYS A 28 19.942 -23.298 11.993 1.00 25.00 C ATOM 431 NZ LYS A 28 21.385 -23.423 11.642 1.00 25.00 N ATOM 0 H LYS A 28 18.754 -18.431 15.625 1.00 25.00 H new ATOM 0 HA LYS A 28 18.608 -18.308 12.830 1.00 25.00 H new ATOM 0 HB2 LYS A 28 19.928 -19.908 14.147 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.464 -20.622 14.794 1.00 25.00 H new ATOM 0 HG2 LYS A 28 17.860 -21.512 12.610 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.189 -20.663 11.845 1.00 25.00 H new ATOM 0 HD2 LYS A 28 20.793 -21.897 13.365 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.438 -22.802 14.010 1.00 25.00 H new ATOM 0 HE2 LYS A 28 19.541 -24.265 12.297 1.00 25.00 H new ATOM 0 HE3 LYS A 28 19.368 -22.973 11.125 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 21.503 -24.158 10.916 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 21.733 -22.514 11.275 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 21.927 -23.684 12.490 1.00 25.00 H new ATOM 445 N GLY A 29 16.302 -18.861 12.100 1.00 25.00 N ATOM 446 CA GLY A 29 14.943 -19.100 11.654 1.00 25.00 C ATOM 447 C GLY A 29 14.074 -17.855 11.649 1.00 25.00 C ATOM 448 O GLY A 29 12.999 -17.887 11.056 1.00 25.00 O ATOM 0 H GLY A 29 16.921 -18.487 11.381 1.00 25.00 H new ATOM 0 HA2 GLY A 29 14.969 -19.518 10.648 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.485 -19.849 12.299 1.00 25.00 H new ATOM 452 N ASP A 30 14.532 -16.767 12.260 1.00 25.00 N ATOM 453 CA ASP A 30 13.745 -15.528 12.302 1.00 25.00 C ATOM 454 C ASP A 30 13.644 -14.940 10.915 1.00 25.00 C ATOM 455 O ASP A 30 14.519 -15.155 10.071 1.00 25.00 O ATOM 456 CB ASP A 30 14.386 -14.469 13.210 1.00 25.00 C ATOM 457 CG ASP A 30 13.887 -14.543 14.634 1.00 25.00 C ATOM 458 OD1 ASP A 30 12.700 -14.866 14.835 1.00 25.00 O ATOM 459 OD2 ASP A 30 14.672 -14.230 15.560 1.00 25.00 O ATOM 0 H ASP A 30 15.435 -16.712 12.731 1.00 25.00 H new ATOM 0 HA ASP A 30 12.763 -15.789 12.696 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.469 -14.596 13.202 1.00 25.00 H new ATOM 0 HB3 ASP A 30 14.178 -13.477 12.808 1.00 25.00 H new ATOM 464 N ILE A 31 12.598 -14.153 10.705 1.00 25.00 N ATOM 465 CA ILE A 31 12.393 -13.455 9.449 1.00 25.00 C ATOM 466 C ILE A 31 12.471 -11.970 9.744 1.00 25.00 C ATOM 467 O ILE A 31 11.771 -11.470 10.618 1.00 25.00 O ATOM 468 CB ILE A 31 10.997 -13.758 8.826 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.830 -15.270 8.565 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.807 -12.957 7.518 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.880 -15.903 7.682 1.00 25.00 C ATOM 0 H ILE A 31 11.871 -13.982 11.400 1.00 25.00 H new ATOM 0 HA ILE A 31 13.151 -13.783 8.737 1.00 25.00 H new ATOM 0 HB ILE A 31 10.230 -13.450 9.537 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.829 -15.787 9.524 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.853 -15.436 8.112 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.827 -13.179 7.094 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.877 -11.890 7.731 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.582 -13.236 6.805 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.665 -16.965 7.566 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.871 -15.422 6.704 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.862 -15.779 8.138 1.00 25.00 H new ATOM 483 N MET A 32 13.302 -11.264 9.001 1.00 25.00 N ATOM 484 CA MET A 32 13.422 -9.822 9.142 1.00 25.00 C ATOM 485 C MET A 32 13.234 -9.170 7.791 1.00 25.00 C ATOM 486 O MET A 32 13.407 -9.809 6.745 1.00 25.00 O ATOM 487 CB MET A 32 14.766 -9.434 9.746 1.00 25.00 C ATOM 488 CG MET A 32 15.977 -9.946 8.997 1.00 25.00 C ATOM 489 SD MET A 32 17.282 -10.330 10.164 1.00 25.00 S ATOM 490 CE MET A 32 16.628 -11.874 10.901 1.00 25.00 C ATOM 0 H MET A 32 13.909 -11.668 8.288 1.00 25.00 H new ATOM 0 HA MET A 32 12.647 -9.471 9.824 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.823 -8.347 9.798 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.808 -9.805 10.770 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.714 -10.835 8.423 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.321 -9.197 8.284 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.594 -11.773 11.986 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.623 -12.061 10.522 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.277 -12.708 10.634 1.00 25.00 H new ATOM 500 N THR A 33 12.833 -7.916 7.826 1.00 25.00 N ATOM 501 CA THR A 33 12.553 -7.155 6.617 1.00 25.00 C ATOM 502 C THR A 33 13.821 -6.446 6.173 1.00 25.00 C ATOM 503 O THR A 33 14.285 -5.567 6.860 1.00 25.00 O ATOM 504 CB THR A 33 11.472 -6.093 6.885 1.00 25.00 C ATOM 505 OG1 THR A 33 10.271 -6.746 7.322 1.00 25.00 O ATOM 506 CG2 THR A 33 11.165 -5.312 5.630 1.00 25.00 C ATOM 0 H THR A 33 12.691 -7.393 8.690 1.00 25.00 H new ATOM 0 HA THR A 33 12.202 -7.841 5.846 1.00 25.00 H new ATOM 0 HB THR A 33 11.840 -5.409 7.649 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.579 -6.075 7.496 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.398 -4.567 5.843 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.069 -4.813 5.282 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.806 -5.992 4.857 1.00 25.00 H new ATOM 514 N VAL A 34 14.387 -6.837 5.043 1.00 25.00 N ATOM 515 CA VAL A 34 15.599 -6.199 4.527 1.00 25.00 C ATOM 516 C VAL A 34 15.217 -4.897 3.854 1.00 25.00 C ATOM 517 O VAL A 34 14.413 -4.867 2.921 1.00 25.00 O ATOM 518 CB VAL A 34 16.342 -7.078 3.513 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.661 -6.429 3.063 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.620 -8.444 4.124 1.00 25.00 C ATOM 0 H VAL A 34 14.030 -7.594 4.460 1.00 25.00 H new ATOM 0 HA VAL A 34 16.267 -6.031 5.372 1.00 25.00 H new ATOM 0 HB VAL A 34 15.707 -7.190 2.634 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.160 -7.080 2.345 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.452 -5.466 2.596 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.307 -6.280 3.928 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.148 -9.066 3.401 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.234 -8.325 5.017 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.677 -8.921 4.393 1.00 25.00 H new ATOM 530 N LEU A 35 15.774 -3.819 4.360 1.00 25.00 N ATOM 531 CA LEU A 35 15.472 -2.494 3.874 1.00 25.00 C ATOM 532 C LEU A 35 16.483 -2.111 2.813 1.00 25.00 C ATOM 533 O LEU A 35 16.112 -1.658 1.745 1.00 25.00 O ATOM 534 CB LEU A 35 15.506 -1.513 5.040 1.00 25.00 C ATOM 535 CG LEU A 35 14.462 -1.797 6.132 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.735 -0.901 7.307 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.036 -1.576 5.636 1.00 25.00 C ATOM 0 H LEU A 35 16.451 -3.838 5.123 1.00 25.00 H new ATOM 0 HA LEU A 35 14.477 -2.470 3.430 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.499 -1.533 5.488 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.350 -0.505 4.657 1.00 25.00 H new ATOM 0 HG LEU A 35 14.545 -2.845 6.419 1.00 25.00 H new ATOM 0 HD11 LEU A 35 14.001 -1.093 8.089 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.735 -1.100 7.692 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.667 0.141 6.994 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.333 -1.789 6.442 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.918 -0.541 5.316 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.836 -2.240 4.795 1.00 25.00 H new ATOM 549 N GLU A 36 17.754 -2.355 3.074 1.00 25.00 N ATOM 550 CA GLU A 36 18.789 -2.142 2.062 1.00 25.00 C ATOM 551 C GLU A 36 19.953 -3.062 2.385 1.00 25.00 C ATOM 552 O GLU A 36 19.968 -3.702 3.429 1.00 25.00 O ATOM 553 CB GLU A 36 19.242 -0.671 2.000 1.00 25.00 C ATOM 554 CG GLU A 36 20.110 -0.237 3.106 1.00 25.00 C ATOM 555 CD GLU A 36 20.511 1.219 3.007 1.00 25.00 C ATOM 556 OE1 GLU A 36 20.400 1.925 4.034 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.983 1.656 1.941 1.00 25.00 O ATOM 0 H GLU A 36 18.100 -2.699 3.970 1.00 25.00 H new ATOM 0 HA GLU A 36 18.386 -2.374 1.076 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.769 -0.509 1.060 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.357 -0.035 1.983 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.594 -0.402 4.052 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.008 -0.855 3.120 1.00 25.00 H new ATOM 564 N ARG A 37 20.928 -3.134 1.493 1.00 25.00 N ATOM 565 CA ARG A 37 22.109 -3.953 1.703 1.00 25.00 C ATOM 566 C ARG A 37 23.283 -3.054 1.436 1.00 25.00 C ATOM 567 O ARG A 37 23.148 -2.126 0.648 1.00 25.00 O ATOM 568 CB ARG A 37 22.121 -5.116 0.726 1.00 25.00 C ATOM 569 CG ARG A 37 20.917 -6.017 0.840 1.00 25.00 C ATOM 570 CD ARG A 37 21.062 -7.269 -0.007 1.00 25.00 C ATOM 571 NE ARG A 37 21.126 -6.984 -1.455 1.00 25.00 N ATOM 572 CZ ARG A 37 22.240 -6.839 -2.174 1.00 25.00 C ATOM 573 NH1 ARG A 37 23.441 -6.928 -1.664 1.00 25.00 N ATOM 574 NH2 ARG A 37 22.136 -6.578 -3.446 1.00 25.00 N ATOM 0 H ARG A 37 20.923 -2.628 0.607 1.00 25.00 H new ATOM 0 HA ARG A 37 22.134 -4.367 2.711 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.176 -4.725 -0.290 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.022 -5.707 0.889 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.773 -6.299 1.883 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.025 -5.472 0.531 1.00 25.00 H new ATOM 0 HD2 ARG A 37 21.965 -7.801 0.293 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.220 -7.933 0.190 1.00 25.00 H new ATOM 0 HE ARG A 37 20.239 -6.890 -1.949 1.00 25.00 H new ATOM 0 HH11 ARG A 37 23.560 -7.117 -0.669 1.00 25.00 H new ATOM 0 HH12 ARG A 37 24.259 -6.808 -2.262 1.00 25.00 H new ATOM 0 HH21 ARG A 37 21.215 -6.488 -3.875 1.00 25.00 H new ATOM 0 HH22 ARG A 37 22.976 -6.463 -4.013 1.00 25.00 H new ATOM 588 N ASP A 38 24.397 -3.331 2.100 1.00 25.00 N ATOM 589 CA ASP A 38 25.637 -2.568 1.968 1.00 25.00 C ATOM 590 C ASP A 38 25.365 -1.128 2.435 1.00 25.00 C ATOM 591 O ASP A 38 25.844 -0.131 1.890 1.00 25.00 O ATOM 592 CB ASP A 38 26.190 -2.713 0.545 1.00 25.00 C ATOM 593 CG ASP A 38 26.276 -4.185 0.115 1.00 25.00 C ATOM 594 OD1 ASP A 38 26.904 -4.999 0.851 1.00 25.00 O ATOM 595 OD2 ASP A 38 25.596 -4.566 -0.878 1.00 25.00 O ATOM 0 H ASP A 38 24.468 -4.106 2.759 1.00 25.00 H new ATOM 0 HA ASP A 38 26.432 -2.951 2.607 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.552 -2.168 -0.150 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.180 -2.260 0.492 1.00 25.00 H new ATOM 600 N THR A 39 24.519 -1.077 3.458 1.00 25.00 N ATOM 601 CA THR A 39 24.025 0.160 4.060 1.00 25.00 C ATOM 602 C THR A 39 25.142 0.944 4.722 1.00 25.00 C ATOM 603 O THR A 39 26.074 0.366 5.246 1.00 25.00 O ATOM 604 CB THR A 39 22.939 -0.163 5.114 1.00 25.00 C ATOM 605 OG1 THR A 39 22.424 1.038 5.692 1.00 25.00 O ATOM 606 CG2 THR A 39 23.456 -1.058 6.202 1.00 25.00 C ATOM 0 H THR A 39 24.147 -1.915 3.904 1.00 25.00 H new ATOM 0 HA THR A 39 23.603 0.769 3.261 1.00 25.00 H new ATOM 0 HB THR A 39 22.140 -0.690 4.592 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.650 1.344 5.175 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.659 -1.257 6.918 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.798 -1.998 5.768 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.287 -0.570 6.711 1.00 25.00 H new ATOM 614 N GLN A 40 25.045 2.270 4.664 1.00 25.00 N ATOM 615 CA GLN A 40 26.050 3.201 5.216 1.00 25.00 C ATOM 616 C GLN A 40 27.434 3.024 4.583 1.00 25.00 C ATOM 617 O GLN A 40 28.410 3.626 5.028 1.00 25.00 O ATOM 618 CB GLN A 40 26.160 3.079 6.752 1.00 25.00 C ATOM 619 CG GLN A 40 24.834 2.880 7.469 1.00 25.00 C ATOM 620 CD GLN A 40 24.985 2.932 8.987 1.00 25.00 C ATOM 621 OE1 GLN A 40 26.078 3.061 9.508 1.00 25.00 O ATOM 622 NE2 GLN A 40 23.885 2.822 9.690 1.00 25.00 N ATOM 0 H GLN A 40 24.255 2.745 4.226 1.00 25.00 H new ATOM 0 HA GLN A 40 25.694 4.200 4.965 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.816 2.242 6.991 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.637 3.979 7.141 1.00 25.00 H new ATOM 0 HG2 GLN A 40 24.131 3.649 7.149 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.408 1.919 7.181 1.00 25.00 H new ATOM 0 HE21 GLN A 40 22.987 2.715 9.218 1.00 25.00 H new ATOM 0 HE22 GLN A 40 23.927 2.843 10.709 1.00 25.00 H new ATOM 631 N GLY A 41 27.510 2.203 3.543 1.00 25.00 N ATOM 632 CA GLY A 41 28.785 1.900 2.906 1.00 25.00 C ATOM 633 C GLY A 41 29.467 0.735 3.600 1.00 25.00 C ATOM 634 O GLY A 41 30.630 0.443 3.338 1.00 25.00 O ATOM 0 H GLY A 41 26.706 1.736 3.124 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.624 1.660 1.855 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.431 2.777 2.938 1.00 25.00 H new ATOM 638 N LEU A 42 28.738 0.060 4.478 1.00 25.00 N ATOM 639 CA LEU A 42 29.258 -1.081 5.210 1.00 25.00 C ATOM 640 C LEU A 42 28.981 -2.318 4.396 1.00 25.00 C ATOM 641 O LEU A 42 27.867 -2.842 4.378 1.00 25.00 O ATOM 642 CB LEU A 42 28.552 -1.196 6.562 1.00 25.00 C ATOM 643 CG LEU A 42 28.597 0.030 7.461 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.570 -0.124 8.579 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.966 0.193 8.039 1.00 25.00 C ATOM 0 H LEU A 42 27.770 0.290 4.701 1.00 25.00 H new ATOM 0 HA LEU A 42 30.328 -0.963 5.381 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.507 -1.447 6.380 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.991 -2.033 7.105 1.00 25.00 H new ATOM 0 HG LEU A 42 28.360 0.917 6.874 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.601 0.754 9.225 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.574 -0.222 8.147 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.801 -1.014 9.165 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.987 1.074 8.681 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.221 -0.690 8.625 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.689 0.314 7.233 1.00 25.00 H new ATOM 657 N ASP A 43 29.977 -2.756 3.653 1.00 25.00 N ATOM 658 CA ASP A 43 29.797 -3.887 2.771 1.00 25.00 C ATOM 659 C ASP A 43 29.521 -5.154 3.557 1.00 25.00 C ATOM 660 O ASP A 43 30.067 -5.393 4.634 1.00 25.00 O ATOM 661 CB ASP A 43 31.001 -4.062 1.864 1.00 25.00 C ATOM 662 CG ASP A 43 32.222 -4.599 2.595 1.00 25.00 C ATOM 663 OD1 ASP A 43 32.863 -3.828 3.343 1.00 25.00 O ATOM 664 OD2 ASP A 43 32.594 -5.769 2.353 1.00 25.00 O ATOM 0 H ASP A 43 30.912 -2.349 3.643 1.00 25.00 H new ATOM 0 HA ASP A 43 28.928 -3.688 2.144 1.00 25.00 H new ATOM 0 HB2 ASP A 43 30.742 -4.742 1.052 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.249 -3.103 1.409 1.00 25.00 H new ATOM 669 N GLY A 44 28.580 -5.941 3.056 1.00 25.00 N ATOM 670 CA GLY A 44 28.193 -7.158 3.737 1.00 25.00 C ATOM 671 C GLY A 44 27.193 -6.939 4.857 1.00 25.00 C ATOM 672 O GLY A 44 26.556 -7.890 5.305 1.00 25.00 O ATOM 0 H GLY A 44 28.077 -5.757 2.188 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.766 -7.850 3.011 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.084 -7.634 4.146 1.00 25.00 H new ATOM 676 N TRP A 45 27.014 -5.705 5.309 1.00 25.00 N ATOM 677 CA TRP A 45 26.026 -5.410 6.334 1.00 25.00 C ATOM 678 C TRP A 45 24.706 -5.037 5.675 1.00 25.00 C ATOM 679 O TRP A 45 24.660 -4.229 4.754 1.00 25.00 O ATOM 680 CB TRP A 45 26.541 -4.254 7.184 1.00 25.00 C ATOM 681 CG TRP A 45 27.616 -4.683 8.148 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.950 -4.468 8.049 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.439 -5.407 9.380 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.623 -4.965 9.126 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.725 -5.557 9.974 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.321 -5.931 10.051 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.912 -6.202 11.211 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.500 -6.571 11.294 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.792 -6.703 11.860 1.00 25.00 C ATOM 0 H TRP A 45 27.540 -4.895 4.982 1.00 25.00 H new ATOM 0 HA TRP A 45 25.863 -6.282 6.967 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.933 -3.473 6.532 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.711 -3.818 7.740 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.423 -3.965 7.219 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.630 -4.906 9.276 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.335 -5.844 9.619 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.897 -6.304 11.642 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.643 -6.965 11.820 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.907 -7.201 12.811 1.00 25.00 H new ATOM 700 N TRP A 46 23.625 -5.663 6.110 1.00 25.00 N ATOM 701 CA TRP A 46 22.306 -5.431 5.508 1.00 25.00 C ATOM 702 C TRP A 46 21.399 -4.762 6.524 1.00 25.00 C ATOM 703 O TRP A 46 21.219 -5.277 7.610 1.00 25.00 O ATOM 704 CB TRP A 46 21.682 -6.757 5.047 1.00 25.00 C ATOM 705 CG TRP A 46 22.462 -7.465 3.948 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.598 -7.043 3.331 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.155 -8.741 3.333 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.038 -7.936 2.405 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.186 -9.004 2.380 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.120 -9.681 3.488 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.211 -10.182 1.600 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.150 -10.869 2.714 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.194 -11.105 1.777 1.00 25.00 C ATOM 0 H TRP A 46 23.626 -6.336 6.876 1.00 25.00 H new ATOM 0 HA TRP A 46 22.424 -4.784 4.639 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.598 -7.424 5.905 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.669 -6.565 4.692 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.093 -6.108 3.551 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.869 -7.827 1.824 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.315 -9.501 4.185 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.002 -10.358 0.885 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.369 -11.605 2.838 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.193 -12.016 1.196 1.00 25.00 H new ATOM 724 N LEU A 47 20.828 -3.621 6.168 1.00 25.00 N ATOM 725 CA LEU A 47 19.902 -2.927 7.054 1.00 25.00 C ATOM 726 C LEU A 47 18.601 -3.688 7.029 1.00 25.00 C ATOM 727 O LEU A 47 18.007 -3.868 5.970 1.00 25.00 O ATOM 728 CB LEU A 47 19.641 -1.501 6.560 1.00 25.00 C ATOM 729 CG LEU A 47 18.643 -0.668 7.373 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.070 -0.516 8.818 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.484 0.705 6.737 1.00 25.00 C ATOM 0 H LEU A 47 20.988 -3.156 5.274 1.00 25.00 H new ATOM 0 HA LEU A 47 20.324 -2.874 8.058 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.592 -0.968 6.538 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.282 -1.556 5.532 1.00 25.00 H new ATOM 0 HG LEU A 47 17.690 -1.197 7.366 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.333 0.081 9.354 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.146 -1.500 9.280 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.039 -0.020 8.861 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.774 1.295 7.317 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.449 1.212 6.720 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.115 0.593 5.717 1.00 25.00 H new ATOM 743 N CYS A 48 18.164 -4.154 8.182 1.00 25.00 N ATOM 744 CA CYS A 48 16.918 -4.880 8.279 1.00 25.00 C ATOM 745 C CYS A 48 16.104 -4.358 9.438 1.00 25.00 C ATOM 746 O CYS A 48 16.584 -3.562 10.244 1.00 25.00 O ATOM 747 CB CYS A 48 17.189 -6.379 8.448 1.00 25.00 C ATOM 748 SG CYS A 48 18.396 -7.051 7.269 1.00 25.00 S ATOM 0 H CYS A 48 18.658 -4.041 9.067 1.00 25.00 H new ATOM 0 HA CYS A 48 16.352 -4.733 7.359 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.547 -6.561 9.461 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.250 -6.922 8.339 1.00 25.00 H new ATOM 0 HG CYS A 48 19.518 -6.403 7.379 1.00 25.00 H new ATOM 754 N SER A 49 14.871 -4.826 9.526 1.00 25.00 N ATOM 755 CA SER A 49 13.978 -4.466 10.618 1.00 25.00 C ATOM 756 C SER A 49 13.372 -5.735 11.205 1.00 25.00 C ATOM 757 O SER A 49 12.921 -6.632 10.473 1.00 25.00 O ATOM 758 CB SER A 49 12.907 -3.496 10.118 1.00 25.00 C ATOM 759 OG SER A 49 11.624 -4.094 10.075 1.00 25.00 O ATOM 0 H SER A 49 14.460 -5.465 8.845 1.00 25.00 H new ATOM 0 HA SER A 49 14.531 -3.957 11.408 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.877 -2.622 10.769 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.175 -3.143 9.122 1.00 25.00 H new ATOM 0 HG SER A 49 10.969 -3.440 9.752 1.00 25.00 H new ATOM 765 N LEU A 50 13.423 -5.834 12.526 1.00 25.00 N ATOM 766 CA LEU A 50 12.940 -6.997 13.259 1.00 25.00 C ATOM 767 C LEU A 50 12.429 -6.503 14.607 1.00 25.00 C ATOM 768 O LEU A 50 13.071 -5.656 15.217 1.00 25.00 O ATOM 769 CB LEU A 50 14.085 -7.985 13.476 1.00 25.00 C ATOM 770 CG LEU A 50 13.711 -9.273 14.215 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.832 -10.456 13.313 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.595 -9.430 15.440 1.00 25.00 C ATOM 0 H LEU A 50 13.805 -5.102 13.125 1.00 25.00 H new ATOM 0 HA LEU A 50 12.149 -7.501 12.704 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.501 -8.252 12.504 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.875 -7.482 14.034 1.00 25.00 H new ATOM 0 HG LEU A 50 12.671 -9.210 14.536 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.561 -11.359 13.860 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.164 -10.334 12.461 1.00 25.00 H new ATOM 0 HD13 LEU A 50 14.860 -10.540 12.959 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.329 -10.347 15.966 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.639 -9.479 15.131 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.453 -8.577 16.103 1.00 25.00 H new ATOM 784 N HIS A 51 11.266 -6.989 15.037 1.00 25.00 N ATOM 785 CA HIS A 51 10.652 -6.607 16.329 1.00 25.00 C ATOM 786 C HIS A 51 10.447 -5.088 16.456 1.00 25.00 C ATOM 787 O HIS A 51 10.509 -4.541 17.548 1.00 25.00 O ATOM 788 CB HIS A 51 11.495 -7.120 17.515 1.00 25.00 C ATOM 789 CG HIS A 51 11.624 -8.613 17.579 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.494 -9.278 18.406 1.00 25.00 N ATOM 791 CD2 HIS A 51 10.956 -9.599 16.910 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.337 -10.584 18.215 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.407 -10.837 17.320 1.00 25.00 N ATOM 0 H HIS A 51 10.713 -7.661 14.505 1.00 25.00 H new ATOM 0 HA HIS A 51 9.670 -7.078 16.354 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.492 -6.683 17.453 1.00 25.00 H new ATOM 0 HB3 HIS A 51 11.048 -6.765 18.444 1.00 25.00 H new ATOM 0 HD2 HIS A 51 10.188 -9.434 16.169 1.00 25.00 H new ATOM 0 HE1 HIS A 51 12.904 -11.344 18.732 1.00 25.00 H new ATOM 0 HE2 HIS A 51 11.088 -11.751 16.998 1.00 25.00 H new ATOM 801 N GLY A 52 10.213 -4.413 15.338 1.00 25.00 N ATOM 802 CA GLY A 52 10.003 -2.966 15.370 1.00 25.00 C ATOM 803 C GLY A 52 11.279 -2.173 15.595 1.00 25.00 C ATOM 804 O GLY A 52 11.234 -0.986 15.901 1.00 25.00 O ATOM 0 H GLY A 52 10.164 -4.833 14.410 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.550 -2.652 14.429 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.292 -2.727 16.161 1.00 25.00 H new ATOM 808 N ARG A 53 12.417 -2.834 15.445 1.00 25.00 N ATOM 809 CA ARG A 53 13.726 -2.218 15.640 1.00 25.00 C ATOM 810 C ARG A 53 14.455 -2.345 14.325 1.00 25.00 C ATOM 811 O ARG A 53 14.305 -3.341 13.633 1.00 25.00 O ATOM 812 CB ARG A 53 14.467 -2.974 16.757 1.00 25.00 C ATOM 813 CG ARG A 53 15.342 -2.120 17.674 1.00 25.00 C ATOM 814 CD ARG A 53 16.677 -1.763 17.042 1.00 25.00 C ATOM 815 NE ARG A 53 17.638 -1.328 18.062 1.00 25.00 N ATOM 816 CZ ARG A 53 18.883 -0.927 17.829 1.00 25.00 C ATOM 817 NH1 ARG A 53 19.387 -0.835 16.630 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.639 -0.609 18.837 1.00 25.00 N ATOM 0 H ARG A 53 12.461 -3.819 15.183 1.00 25.00 H new ATOM 0 HA ARG A 53 13.655 -1.171 15.933 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.729 -3.492 17.370 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.094 -3.739 16.298 1.00 25.00 H new ATOM 0 HG2 ARG A 53 14.809 -1.204 17.929 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.518 -2.657 18.606 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.073 -2.626 16.507 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.536 -0.970 16.307 1.00 25.00 H new ATOM 0 HE ARG A 53 17.323 -1.334 19.032 1.00 25.00 H new ATOM 0 HH11 ARG A 53 18.819 -1.076 15.818 1.00 25.00 H new ATOM 0 HH12 ARG A 53 20.349 -0.522 16.504 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.274 -0.669 19.787 1.00 25.00 H new ATOM 0 HH22 ARG A 53 20.598 -0.299 18.678 1.00 25.00 H new ATOM 832 N GLN A 54 15.219 -1.334 13.976 1.00 25.00 N ATOM 833 CA GLN A 54 15.976 -1.324 12.731 1.00 25.00 C ATOM 834 C GLN A 54 17.456 -1.455 13.063 1.00 25.00 C ATOM 835 O GLN A 54 17.892 -0.951 14.088 1.00 25.00 O ATOM 836 CB GLN A 54 15.740 -0.008 12.001 1.00 25.00 C ATOM 837 CG GLN A 54 15.032 -0.169 10.692 1.00 25.00 C ATOM 838 CD GLN A 54 14.715 1.160 10.030 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.576 1.429 9.668 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.717 2.001 9.874 1.00 25.00 N ATOM 0 H GLN A 54 15.337 -0.494 14.542 1.00 25.00 H new ATOM 0 HA GLN A 54 15.657 -2.150 12.095 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.157 0.654 12.641 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.699 0.480 11.828 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.649 -0.766 10.021 1.00 25.00 H new ATOM 0 HG3 GLN A 54 14.106 -0.722 10.850 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.653 1.743 10.188 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.557 2.910 9.440 1.00 25.00 H new ATOM 849 N GLY A 55 18.211 -2.107 12.197 1.00 25.00 N ATOM 850 CA GLY A 55 19.645 -2.211 12.401 1.00 25.00 C ATOM 851 C GLY A 55 20.357 -3.018 11.333 1.00 25.00 C ATOM 852 O GLY A 55 19.712 -3.648 10.499 1.00 25.00 O ATOM 0 H GLY A 55 17.861 -2.567 11.356 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.072 -1.209 12.431 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.832 -2.667 13.373 1.00 25.00 H new ATOM 856 N ILE A 56 21.678 -2.992 11.350 1.00 25.00 N ATOM 857 CA ILE A 56 22.483 -3.744 10.396 1.00 25.00 C ATOM 858 C ILE A 56 22.545 -5.196 10.840 1.00 25.00 C ATOM 859 O ILE A 56 22.354 -5.521 12.015 1.00 25.00 O ATOM 860 CB ILE A 56 23.924 -3.149 10.232 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.725 -3.267 11.550 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.818 -1.663 9.817 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.160 -2.724 11.489 1.00 25.00 C ATOM 0 H ILE A 56 22.224 -2.452 12.022 1.00 25.00 H new ATOM 0 HA ILE A 56 22.009 -3.674 9.417 1.00 25.00 H new ATOM 0 HB ILE A 56 24.450 -3.714 9.462 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.185 -2.737 12.334 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.762 -4.316 11.842 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.818 -1.245 9.702 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.282 -1.587 8.871 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.279 -1.108 10.585 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.639 -2.851 12.460 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.724 -3.269 10.732 1.00 25.00 H new ATOM 0 HD13 ILE A 56 26.138 -1.665 11.232 1.00 25.00 H new ATOM 875 N VAL A 57 22.763 -6.075 9.879 1.00 25.00 N ATOM 876 CA VAL A 57 22.830 -7.514 10.115 1.00 25.00 C ATOM 877 C VAL A 57 23.920 -8.071 9.214 1.00 25.00 C ATOM 878 O VAL A 57 24.020 -7.664 8.058 1.00 25.00 O ATOM 879 CB VAL A 57 21.495 -8.200 9.718 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.568 -9.689 9.877 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.337 -7.626 10.518 1.00 25.00 C ATOM 0 H VAL A 57 22.900 -5.813 8.903 1.00 25.00 H new ATOM 0 HA VAL A 57 23.027 -7.699 11.171 1.00 25.00 H new ATOM 0 HB VAL A 57 21.321 -7.993 8.662 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.615 -10.133 9.589 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.359 -10.085 9.240 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.783 -9.934 10.917 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.411 -8.121 10.224 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.513 -7.788 11.581 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.255 -6.557 10.323 1.00 25.00 H new ATOM 891 N PRO A 58 24.735 -9.021 9.700 1.00 25.00 N ATOM 892 CA PRO A 58 25.714 -9.575 8.776 1.00 25.00 C ATOM 893 C PRO A 58 25.049 -10.443 7.697 1.00 25.00 C ATOM 894 O PRO A 58 24.402 -11.454 7.993 1.00 25.00 O ATOM 895 CB PRO A 58 26.610 -10.409 9.703 1.00 25.00 C ATOM 896 CG PRO A 58 25.731 -10.802 10.832 1.00 25.00 C ATOM 897 CD PRO A 58 24.806 -9.645 11.033 1.00 25.00 C ATOM 0 HA PRO A 58 26.259 -8.815 8.216 1.00 25.00 H new ATOM 0 HB2 PRO A 58 27.006 -11.284 9.187 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.465 -9.830 10.051 1.00 25.00 H new ATOM 0 HG2 PRO A 58 25.178 -11.712 10.601 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.312 -11.002 11.732 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.824 -9.972 11.375 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.189 -8.951 11.781 1.00 25.00 H new ATOM 905 N GLY A 59 25.216 -10.060 6.437 1.00 25.00 N ATOM 906 CA GLY A 59 24.614 -10.788 5.325 1.00 25.00 C ATOM 907 C GLY A 59 25.096 -12.219 5.256 1.00 25.00 C ATOM 908 O GLY A 59 24.387 -13.102 4.771 1.00 25.00 O ATOM 0 H GLY A 59 25.765 -9.247 6.158 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.529 -10.776 5.429 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.850 -10.281 4.390 1.00 25.00 H new ATOM 912 N ASN A 60 26.280 -12.471 5.799 1.00 25.00 N ATOM 913 CA ASN A 60 26.853 -13.819 5.838 1.00 25.00 C ATOM 914 C ASN A 60 25.999 -14.807 6.657 1.00 25.00 C ATOM 915 O ASN A 60 26.190 -16.017 6.564 1.00 25.00 O ATOM 916 CB ASN A 60 28.266 -13.753 6.431 1.00 25.00 C ATOM 917 CG ASN A 60 29.258 -14.637 5.695 1.00 25.00 C ATOM 918 OD1 ASN A 60 30.304 -14.184 5.267 1.00 25.00 O ATOM 919 ND2 ASN A 60 28.922 -15.883 5.532 1.00 25.00 N ATOM 0 H ASN A 60 26.870 -11.755 6.223 1.00 25.00 H new ATOM 0 HA ASN A 60 26.880 -14.189 4.813 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.618 -12.722 6.405 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.229 -14.051 7.479 1.00 25.00 H new ATOM 0 HD21 ASN A 60 29.544 -16.518 5.031 1.00 25.00 H new ATOM 0 HD22 ASN A 60 28.037 -16.226 5.905 1.00 25.00 H new ATOM 926 N ARG A 61 25.064 -14.295 7.456 1.00 25.00 N ATOM 927 CA ARG A 61 24.201 -15.139 8.289 1.00 25.00 C ATOM 928 C ARG A 61 22.730 -15.025 7.878 1.00 25.00 C ATOM 929 O ARG A 61 21.843 -15.544 8.566 1.00 25.00 O ATOM 930 CB ARG A 61 24.374 -14.760 9.767 1.00 25.00 C ATOM 931 CG ARG A 61 25.811 -14.949 10.279 1.00 25.00 C ATOM 932 CD ARG A 61 25.948 -14.543 11.744 1.00 25.00 C ATOM 933 NE ARG A 61 27.317 -14.803 12.224 1.00 25.00 N ATOM 934 CZ ARG A 61 27.779 -14.519 13.436 1.00 25.00 C ATOM 935 NH1 ARG A 61 27.057 -13.935 14.354 1.00 25.00 N ATOM 936 NH2 ARG A 61 29.003 -14.843 13.727 1.00 25.00 N ATOM 0 H ARG A 61 24.882 -13.295 7.546 1.00 25.00 H new ATOM 0 HA ARG A 61 24.501 -16.177 8.143 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.081 -13.719 9.905 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.698 -15.365 10.371 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.104 -15.992 10.162 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.494 -14.355 9.672 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.711 -13.485 11.858 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.232 -15.098 12.350 1.00 25.00 H new ATOM 0 HE ARG A 61 27.966 -15.239 11.568 1.00 25.00 H new ATOM 0 HH11 ARG A 61 26.091 -13.675 14.155 1.00 25.00 H new ATOM 0 HH12 ARG A 61 27.459 -13.738 15.271 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.587 -15.306 13.031 1.00 25.00 H new ATOM 0 HH22 ARG A 61 29.380 -14.635 14.652 1.00 25.00 H new ATOM 950 N LEU A 62 22.475 -14.368 6.753 1.00 25.00 N ATOM 951 CA LEU A 62 21.110 -14.180 6.257 1.00 25.00 C ATOM 952 C LEU A 62 20.873 -14.772 4.892 1.00 25.00 C ATOM 953 O LEU A 62 21.780 -14.878 4.073 1.00 25.00 O ATOM 954 CB LEU A 62 20.784 -12.692 6.157 1.00 25.00 C ATOM 955 CG LEU A 62 20.026 -12.076 7.338 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.767 -10.611 7.039 1.00 25.00 C ATOM 957 CD2 LEU A 62 18.696 -12.765 7.620 1.00 25.00 C ATOM 0 H LEU A 62 23.196 -13.954 6.162 1.00 25.00 H new ATOM 0 HA LEU A 62 20.473 -14.695 6.976 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.719 -12.146 6.030 1.00 25.00 H new ATOM 0 HB3 LEU A 62 20.196 -12.532 5.253 1.00 25.00 H new ATOM 0 HG LEU A 62 20.648 -12.202 8.225 1.00 25.00 H new ATOM 0 HD11 LEU A 62 19.228 -10.160 7.872 1.00 25.00 H new ATOM 0 HD12 LEU A 62 20.717 -10.095 6.899 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.170 -10.525 6.131 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.209 -12.282 8.467 1.00 25.00 H new ATOM 0 HD22 LEU A 62 18.055 -12.691 6.742 1.00 25.00 H new ATOM 0 HD23 LEU A 62 18.872 -13.815 7.853 1.00 25.00 H new ATOM 969 N LYS A 63 19.618 -15.104 4.625 1.00 25.00 N ATOM 970 CA LYS A 63 19.208 -15.577 3.301 1.00 25.00 C ATOM 971 C LYS A 63 17.981 -14.850 2.816 1.00 25.00 C ATOM 972 O LYS A 63 16.924 -14.944 3.416 1.00 25.00 O ATOM 973 CB LYS A 63 18.906 -17.074 3.349 1.00 25.00 C ATOM 974 CG LYS A 63 18.544 -17.678 1.991 1.00 25.00 C ATOM 975 CD LYS A 63 18.411 -19.194 2.060 1.00 25.00 C ATOM 976 CE LYS A 63 19.775 -19.844 2.312 1.00 25.00 C ATOM 977 NZ LYS A 63 19.723 -21.343 2.313 1.00 25.00 N ATOM 0 H LYS A 63 18.861 -15.056 5.307 1.00 25.00 H new ATOM 0 HA LYS A 63 20.030 -15.381 2.612 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.775 -17.597 3.748 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.083 -17.247 4.043 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.606 -17.247 1.641 1.00 25.00 H new ATOM 0 HG3 LYS A 63 19.309 -17.414 1.261 1.00 25.00 H new ATOM 0 HD2 LYS A 63 17.719 -19.468 2.856 1.00 25.00 H new ATOM 0 HD3 LYS A 63 17.989 -19.570 1.128 1.00 25.00 H new ATOM 0 HE2 LYS A 63 20.476 -19.512 1.546 1.00 25.00 H new ATOM 0 HE3 LYS A 63 20.163 -19.500 3.271 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 20.675 -21.723 2.488 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 19.077 -21.667 3.061 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 19.381 -21.679 1.390 1.00 25.00 H new ATOM 991 N ILE A 64 18.120 -14.170 1.691 1.00 25.00 N ATOM 992 CA ILE A 64 16.999 -13.472 1.073 1.00 25.00 C ATOM 993 C ILE A 64 16.000 -14.513 0.569 1.00 25.00 C ATOM 994 O ILE A 64 16.376 -15.445 -0.149 1.00 25.00 O ATOM 995 CB ILE A 64 17.467 -12.602 -0.117 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.576 -11.611 0.303 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.296 -11.843 -0.694 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.143 -10.520 1.308 1.00 25.00 C ATOM 0 H ILE A 64 19.000 -14.085 1.183 1.00 25.00 H new ATOM 0 HA ILE A 64 16.541 -12.817 1.814 1.00 25.00 H new ATOM 0 HB ILE A 64 17.881 -13.269 -0.873 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.399 -12.177 0.739 1.00 25.00 H new ATOM 0 HG13 ILE A 64 18.963 -11.124 -0.592 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.635 -11.233 -1.531 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.541 -12.548 -1.041 1.00 25.00 H new ATOM 0 HG23 ILE A 64 15.866 -11.199 0.073 1.00 25.00 H new ATOM 0 HD11 ILE A 64 18.994 -9.878 1.537 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.343 -9.921 0.873 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.787 -10.990 2.224 1.00 25.00 H new ATOM 1010 N LEU A 65 14.733 -14.359 0.932 1.00 25.00 N ATOM 1011 CA LEU A 65 13.693 -15.304 0.528 1.00 25.00 C ATOM 1012 C LEU A 65 12.911 -14.734 -0.661 1.00 25.00 C ATOM 1013 O LEU A 65 11.790 -14.278 -0.511 1.00 25.00 O ATOM 1014 CB LEU A 65 12.749 -15.593 1.695 1.00 25.00 C ATOM 1015 CG LEU A 65 13.400 -16.095 2.996 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.280 -16.348 4.002 1.00 25.00 C ATOM 1017 CD2 LEU A 65 14.239 -17.373 2.785 1.00 25.00 C ATOM 0 H LEU A 65 14.397 -13.587 1.507 1.00 25.00 H new ATOM 0 HA LEU A 65 14.164 -16.241 0.229 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.196 -14.681 1.920 1.00 25.00 H new ATOM 0 HB3 LEU A 65 12.021 -16.336 1.369 1.00 25.00 H new ATOM 0 HG LEU A 65 14.094 -15.339 3.362 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.707 -16.706 4.939 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.736 -15.421 4.182 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.596 -17.098 3.604 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.675 -17.683 3.735 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.600 -18.169 2.402 1.00 25.00 H new ATOM 0 HD23 LEU A 65 15.036 -17.171 2.069 1.00 25.00 H new ATOM 1327 N PRO A 89 29.216 -18.563 10.504 1.00 25.00 N ATOM 1328 CA PRO A 89 30.399 -17.940 9.904 1.00 25.00 C ATOM 1329 C PRO A 89 30.658 -16.561 10.518 1.00 25.00 C ATOM 1330 O PRO A 89 29.769 -15.992 11.169 1.00 25.00 O ATOM 1331 CB PRO A 89 30.004 -17.825 8.429 1.00 25.00 C ATOM 1332 CG PRO A 89 28.544 -17.640 8.465 1.00 25.00 C ATOM 1333 CD PRO A 89 28.072 -18.533 9.574 1.00 25.00 C ATOM 0 HA PRO A 89 31.318 -18.505 10.061 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.501 -16.983 7.947 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.279 -18.720 7.871 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.282 -16.599 8.656 1.00 25.00 H new ATOM 0 HG3 PRO A 89 28.087 -17.914 7.514 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.176 -18.138 10.053 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.826 -19.530 9.209 1.00 25.00 H new ATOM 1341 N PRO A 90 31.869 -16.005 10.326 1.00 25.00 N ATOM 1342 CA PRO A 90 32.132 -14.669 10.893 1.00 25.00 C ATOM 1343 C PRO A 90 31.217 -13.568 10.353 1.00 25.00 C ATOM 1344 O PRO A 90 30.646 -13.689 9.268 1.00 25.00 O ATOM 1345 CB PRO A 90 33.574 -14.387 10.451 1.00 25.00 C ATOM 1346 CG PRO A 90 34.167 -15.722 10.228 1.00 25.00 C ATOM 1347 CD PRO A 90 33.057 -16.516 9.614 1.00 25.00 C ATOM 0 HA PRO A 90 31.960 -14.666 11.969 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.599 -13.786 9.542 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.121 -13.833 11.214 1.00 25.00 H new ATOM 0 HG2 PRO A 90 35.032 -15.669 9.567 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.507 -16.168 11.162 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.987 -16.352 8.539 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.192 -17.587 9.766 1.00 25.00 H new ATOM 1355 N LYS A 91 31.136 -12.470 11.091 1.00 25.00 N ATOM 1356 CA LYS A 91 30.455 -11.269 10.605 1.00 25.00 C ATOM 1357 C LYS A 91 31.549 -10.402 9.964 1.00 25.00 C ATOM 1358 O LYS A 91 32.717 -10.517 10.353 1.00 25.00 O ATOM 1359 CB LYS A 91 29.743 -10.516 11.755 1.00 25.00 C ATOM 1360 CG LYS A 91 30.640 -10.130 12.945 1.00 25.00 C ATOM 1361 CD LYS A 91 29.928 -9.228 13.972 1.00 25.00 C ATOM 1362 CE LYS A 91 28.762 -9.929 14.695 1.00 25.00 C ATOM 1363 NZ LYS A 91 28.196 -9.032 15.762 1.00 25.00 N ATOM 0 H LYS A 91 31.531 -12.382 12.027 1.00 25.00 H new ATOM 0 HA LYS A 91 29.673 -11.520 9.888 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.295 -9.609 11.350 1.00 25.00 H new ATOM 0 HB3 LYS A 91 28.927 -11.138 12.123 1.00 25.00 H new ATOM 0 HG2 LYS A 91 30.983 -11.037 13.443 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.526 -9.617 12.572 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.653 -8.889 14.712 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.551 -8.340 13.465 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.983 -10.189 13.978 1.00 25.00 H new ATOM 0 HE3 LYS A 91 29.109 -10.861 15.140 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 27.270 -9.395 16.066 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.843 -9.010 16.576 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 28.083 -8.070 15.383 1.00 25.00 H new ATOM 1377 N PRO A 92 31.198 -9.553 8.978 1.00 25.00 N ATOM 1378 CA PRO A 92 32.231 -8.675 8.411 1.00 25.00 C ATOM 1379 C PRO A 92 32.666 -7.597 9.421 1.00 25.00 C ATOM 1380 O PRO A 92 31.989 -7.383 10.434 1.00 25.00 O ATOM 1381 CB PRO A 92 31.538 -8.083 7.177 1.00 25.00 C ATOM 1382 CG PRO A 92 30.121 -8.091 7.506 1.00 25.00 C ATOM 1383 CD PRO A 92 29.889 -9.316 8.343 1.00 25.00 C ATOM 0 HA PRO A 92 33.156 -9.193 8.159 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.891 -7.072 6.972 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.741 -8.678 6.286 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.844 -7.189 8.052 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.512 -8.117 6.602 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.107 -9.153 9.085 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.579 -10.165 7.734 1.00 25.00 H new