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 X(o=0,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= 1.54 K(o=1.5,f=-2.8!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0743 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00647 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0.779 (180deg=0.763) USER MOD Single : A 32 MET CE :methyl -131:sc= -0.429 (180deg=-1.03) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot 56:sc= -0.12 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0038 X(o=-0.0038,f=-0.0038) USER MOD Single : A 60 ASN : amide:sc= 0.596 K(o=0.6,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 13.118 1.972 0.350 1.00 25.00 N ATOM 60 CA TYR A 5 13.739 0.701 0.714 1.00 25.00 C ATOM 61 C TYR A 5 13.230 -0.527 -0.070 1.00 25.00 C ATOM 62 O TYR A 5 12.233 -0.477 -0.785 1.00 25.00 O ATOM 63 CB TYR A 5 13.626 0.486 2.218 1.00 25.00 C ATOM 64 CG TYR A 5 14.507 1.409 3.040 1.00 25.00 C ATOM 65 CD1 TYR A 5 15.890 1.527 2.769 1.00 25.00 C ATOM 66 CD2 TYR A 5 13.972 2.149 4.114 1.00 25.00 C ATOM 67 CE1 TYR A 5 16.718 2.366 3.556 1.00 25.00 C ATOM 68 CE2 TYR A 5 14.806 2.990 4.906 1.00 25.00 C ATOM 69 CZ TYR A 5 16.171 3.084 4.617 1.00 25.00 C ATOM 70 OH TYR A 5 16.982 3.881 5.381 1.00 25.00 O ATOM 0 HA TYR A 5 14.786 0.785 0.424 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.588 0.628 2.518 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.885 -0.547 2.448 1.00 25.00 H new ATOM 0 HD1 TYR A 5 16.321 0.970 1.951 1.00 25.00 H new ATOM 0 HD2 TYR A 5 12.918 2.078 4.339 1.00 25.00 H new ATOM 0 HE1 TYR A 5 17.772 2.449 3.333 1.00 25.00 H new ATOM 0 HE2 TYR A 5 14.386 3.553 5.726 1.00 25.00 H new ATOM 0 HH TYR A 5 16.450 4.315 6.080 1.00 25.00 H new ATOM 80 N LEU A 6 13.990 -1.612 0.026 1.00 25.00 N ATOM 81 CA LEU A 6 13.726 -2.847 -0.718 1.00 25.00 C ATOM 82 C LEU A 6 12.512 -3.605 -0.173 1.00 25.00 C ATOM 83 O LEU A 6 11.718 -4.139 -0.938 1.00 25.00 O ATOM 84 CB LEU A 6 14.954 -3.772 -0.631 1.00 25.00 C ATOM 85 CG LEU A 6 16.310 -3.272 -1.155 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.395 -4.316 -0.826 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.283 -3.015 -2.657 1.00 25.00 C ATOM 0 H LEU A 6 14.814 -1.664 0.625 1.00 25.00 H new ATOM 0 HA LEU A 6 13.519 -2.563 -1.750 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.087 -4.043 0.416 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.713 -4.689 -1.169 1.00 25.00 H new ATOM 0 HG LEU A 6 16.533 -2.324 -0.665 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.359 -3.967 -1.195 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.449 -4.457 0.254 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.145 -5.263 -1.303 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.262 -2.663 -2.984 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.036 -3.939 -3.180 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.532 -2.259 -2.883 1.00 25.00 H new ATOM 99 N ASN A 7 12.403 -3.655 1.152 1.00 25.00 N ATOM 100 CA ASN A 7 11.308 -4.340 1.867 1.00 25.00 C ATOM 101 C ASN A 7 11.114 -5.804 1.452 1.00 25.00 C ATOM 102 O ASN A 7 10.004 -6.236 1.146 1.00 25.00 O ATOM 103 CB ASN A 7 9.997 -3.565 1.710 1.00 25.00 C ATOM 104 CG ASN A 7 10.096 -2.171 2.237 1.00 25.00 C ATOM 105 OD1 ASN A 7 10.091 -1.947 3.436 1.00 25.00 O ATOM 106 ND2 ASN A 7 10.209 -1.230 1.355 1.00 25.00 N ATOM 0 H ASN A 7 13.079 -3.216 1.777 1.00 25.00 H new ATOM 0 HA ASN A 7 11.603 -4.359 2.916 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.720 -3.534 0.656 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.200 -4.093 2.234 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.298 -0.259 1.654 1.00 25.00 H new ATOM 0 HD22 ASN A 7 10.209 -1.460 0.361 1.00 25.00 H new ATOM 113 N VAL A 8 12.193 -6.573 1.472 1.00 25.00 N ATOM 114 CA VAL A 8 12.144 -7.995 1.121 1.00 25.00 C ATOM 115 C VAL A 8 12.275 -8.770 2.424 1.00 25.00 C ATOM 116 O VAL A 8 12.756 -8.234 3.406 1.00 25.00 O ATOM 117 CB VAL A 8 13.278 -8.380 0.093 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.784 -7.143 -0.641 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.461 -9.066 0.762 1.00 25.00 C ATOM 0 H VAL A 8 13.122 -6.238 1.729 1.00 25.00 H new ATOM 0 HA VAL A 8 11.205 -8.238 0.623 1.00 25.00 H new ATOM 0 HB VAL A 8 12.827 -9.079 -0.611 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.565 -7.431 -1.344 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.960 -6.679 -1.184 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.189 -6.433 0.080 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.213 -9.310 0.011 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.895 -8.399 1.507 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.124 -9.981 1.248 1.00 25.00 H new ATOM 129 N LEU A 9 11.860 -10.024 2.452 1.00 25.00 N ATOM 130 CA LEU A 9 11.993 -10.830 3.667 1.00 25.00 C ATOM 131 C LEU A 9 13.265 -11.664 3.599 1.00 25.00 C ATOM 132 O LEU A 9 13.648 -12.133 2.530 1.00 25.00 O ATOM 133 CB LEU A 9 10.779 -11.747 3.838 1.00 25.00 C ATOM 134 CG LEU A 9 9.421 -11.040 3.989 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.317 -12.090 4.089 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.383 -10.132 5.221 1.00 25.00 C ATOM 0 H LEU A 9 11.433 -10.507 1.662 1.00 25.00 H new ATOM 0 HA LEU A 9 12.047 -10.160 4.525 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.727 -12.413 2.977 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.941 -12.373 4.716 1.00 25.00 H new ATOM 0 HG LEU A 9 9.268 -10.411 3.112 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.352 -11.594 4.196 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.313 -12.701 3.186 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.497 -12.726 4.956 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.407 -9.653 5.290 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.559 -10.727 6.117 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.157 -9.369 5.135 1.00 25.00 H new ATOM 148 N ALA A 10 13.910 -11.863 4.738 1.00 25.00 N ATOM 149 CA ALA A 10 15.115 -12.686 4.812 1.00 25.00 C ATOM 150 C ALA A 10 15.097 -13.542 6.080 1.00 25.00 C ATOM 151 O ALA A 10 14.637 -13.089 7.124 1.00 25.00 O ATOM 152 CB ALA A 10 16.341 -11.801 4.784 1.00 25.00 C ATOM 0 H ALA A 10 13.620 -11.465 5.631 1.00 25.00 H new ATOM 0 HA ALA A 10 15.144 -13.354 3.951 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.237 -12.419 4.839 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.353 -11.226 3.858 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.317 -11.119 5.634 1.00 25.00 H new ATOM 158 N LYS A 11 15.593 -14.772 5.975 1.00 25.00 N ATOM 159 CA LYS A 11 15.647 -15.706 7.108 1.00 25.00 C ATOM 160 C LYS A 11 17.054 -15.843 7.660 1.00 25.00 C ATOM 161 O LYS A 11 18.018 -15.975 6.906 1.00 25.00 O ATOM 162 CB LYS A 11 15.160 -17.098 6.687 1.00 25.00 C ATOM 163 CG LYS A 11 15.244 -18.153 7.813 1.00 25.00 C ATOM 164 CD LYS A 11 14.551 -19.470 7.480 1.00 25.00 C ATOM 165 CE LYS A 11 13.034 -19.355 7.602 1.00 25.00 C ATOM 166 NZ LYS A 11 12.364 -20.688 7.477 1.00 25.00 N ATOM 0 H LYS A 11 15.969 -15.153 5.107 1.00 25.00 H new ATOM 0 HA LYS A 11 14.998 -15.295 7.881 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.127 -17.024 6.347 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.752 -17.439 5.837 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.293 -18.352 8.034 1.00 25.00 H new ATOM 0 HG3 LYS A 11 14.800 -17.739 8.719 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.813 -19.773 6.466 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.912 -20.251 8.149 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.779 -18.909 8.563 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.657 -18.685 6.830 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.335 -20.569 7.565 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.586 -21.103 6.550 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.705 -21.320 8.229 1.00 25.00 H new ATOM 180 N ALA A 12 17.151 -15.883 8.976 1.00 25.00 N ATOM 181 CA ALA A 12 18.407 -16.122 9.670 1.00 25.00 C ATOM 182 C ALA A 12 18.809 -17.601 9.577 1.00 25.00 C ATOM 183 O ALA A 12 18.058 -18.473 10.011 1.00 25.00 O ATOM 184 CB ALA A 12 18.226 -15.711 11.124 1.00 25.00 C ATOM 0 H ALA A 12 16.355 -15.750 9.600 1.00 25.00 H new ATOM 0 HA ALA A 12 19.203 -15.538 9.208 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.155 -15.880 11.668 1.00 25.00 H new ATOM 0 HB2 ALA A 12 17.964 -14.654 11.173 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.429 -16.304 11.573 1.00 25.00 H new ATOM 190 N LEU A 13 19.993 -17.889 9.049 1.00 25.00 N ATOM 191 CA LEU A 13 20.498 -19.269 9.007 1.00 25.00 C ATOM 192 C LEU A 13 21.228 -19.575 10.289 1.00 25.00 C ATOM 193 O LEU A 13 21.478 -20.724 10.604 1.00 25.00 O ATOM 194 CB LEU A 13 21.506 -19.472 7.874 1.00 25.00 C ATOM 195 CG LEU A 13 21.095 -19.364 6.407 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.665 -19.846 6.144 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.273 -17.960 5.912 1.00 25.00 C ATOM 0 H LEU A 13 20.622 -17.195 8.645 1.00 25.00 H new ATOM 0 HA LEU A 13 19.636 -19.919 8.857 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.308 -18.751 8.031 1.00 25.00 H new ATOM 0 HB3 LEU A 13 21.938 -20.464 8.009 1.00 25.00 H new ATOM 0 HG LEU A 13 21.755 -20.031 5.852 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.436 -19.743 5.083 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.575 -20.893 6.435 1.00 25.00 H new ATOM 0 HD13 LEU A 13 18.966 -19.246 6.726 1.00 25.00 H new ATOM 0 HD21 LEU A 13 20.975 -17.903 4.865 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.654 -17.285 6.503 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.319 -17.670 6.008 1.00 25.00 H new ATOM 209 N TYR A 14 21.592 -18.531 11.003 1.00 25.00 N ATOM 210 CA TYR A 14 22.321 -18.650 12.252 1.00 25.00 C ATOM 211 C TYR A 14 21.781 -17.555 13.128 1.00 25.00 C ATOM 212 O TYR A 14 21.219 -16.593 12.619 1.00 25.00 O ATOM 213 CB TYR A 14 23.818 -18.440 12.029 1.00 25.00 C ATOM 214 CG TYR A 14 24.398 -19.368 10.991 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.864 -20.650 11.344 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.471 -18.978 9.638 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.397 -21.523 10.362 1.00 25.00 C ATOM 218 CE2 TYR A 14 24.987 -19.854 8.653 1.00 25.00 C ATOM 219 CZ TYR A 14 25.448 -21.119 9.026 1.00 25.00 C ATOM 220 OH TYR A 14 25.964 -21.958 8.074 1.00 25.00 O ATOM 0 H TYR A 14 21.390 -17.568 10.733 1.00 25.00 H new ATOM 0 HA TYR A 14 22.198 -19.639 12.694 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.992 -17.408 11.723 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.344 -18.586 12.973 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.815 -20.971 12.374 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.128 -17.996 9.349 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.763 -22.498 10.647 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.024 -19.546 7.619 1.00 25.00 H new ATOM 0 HH TYR A 14 25.924 -21.522 7.197 1.00 25.00 H new ATOM 230 N ASP A 15 21.953 -17.678 14.426 1.00 25.00 N ATOM 231 CA ASP A 15 21.565 -16.618 15.335 1.00 25.00 C ATOM 232 C ASP A 15 22.636 -15.539 15.295 1.00 25.00 C ATOM 233 O ASP A 15 23.732 -15.745 14.759 1.00 25.00 O ATOM 234 CB ASP A 15 21.382 -17.163 16.751 1.00 25.00 C ATOM 235 CG ASP A 15 22.599 -17.898 17.260 1.00 25.00 C ATOM 236 OD1 ASP A 15 23.153 -17.478 18.287 1.00 25.00 O ATOM 237 OD2 ASP A 15 22.879 -19.003 16.737 1.00 25.00 O ATOM 0 H ASP A 15 22.358 -18.499 14.876 1.00 25.00 H new ATOM 0 HA ASP A 15 20.609 -16.193 15.029 1.00 25.00 H new ATOM 0 HB2 ASP A 15 21.154 -16.338 17.426 1.00 25.00 H new ATOM 0 HB3 ASP A 15 20.524 -17.835 16.768 1.00 25.00 H new ATOM 242 N ASN A 16 22.305 -14.372 15.818 1.00 25.00 N ATOM 243 CA ASN A 16 23.216 -13.249 15.809 1.00 25.00 C ATOM 244 C ASN A 16 23.104 -12.495 17.110 1.00 25.00 C ATOM 245 O ASN A 16 22.002 -12.174 17.557 1.00 25.00 O ATOM 246 CB ASN A 16 22.903 -12.302 14.654 1.00 25.00 C ATOM 247 CG ASN A 16 24.028 -11.345 14.397 1.00 25.00 C ATOM 248 OD1 ASN A 16 25.158 -11.768 14.174 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.756 -10.076 14.459 1.00 25.00 N ATOM 0 H ASN A 16 21.404 -14.180 16.257 1.00 25.00 H new ATOM 0 HA ASN A 16 24.229 -13.632 15.684 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.706 -12.882 13.752 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.995 -11.743 14.878 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.496 -9.388 14.320 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.802 -9.767 14.647 1.00 25.00 H new ATOM 256 N VAL A 17 24.246 -12.181 17.689 1.00 25.00 N ATOM 257 CA VAL A 17 24.310 -11.389 18.896 1.00 25.00 C ATOM 258 C VAL A 17 24.802 -10.043 18.420 1.00 25.00 C ATOM 259 O VAL A 17 25.807 -9.951 17.711 1.00 25.00 O ATOM 260 CB VAL A 17 25.272 -12.012 19.938 1.00 25.00 C ATOM 261 CG1 VAL A 17 25.367 -11.127 21.191 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.776 -13.421 20.326 1.00 25.00 C ATOM 0 H VAL A 17 25.157 -12.470 17.333 1.00 25.00 H new ATOM 0 HA VAL A 17 23.348 -11.326 19.405 1.00 25.00 H new ATOM 0 HB VAL A 17 26.265 -12.085 19.494 1.00 25.00 H new ATOM 0 HG11 VAL A 17 26.048 -11.584 21.909 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.741 -10.142 20.913 1.00 25.00 H new ATOM 0 HG13 VAL A 17 24.379 -11.026 21.641 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.455 -13.857 21.059 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.776 -13.350 20.755 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.746 -14.053 19.439 1.00 25.00 H new ATOM 272 N ALA A 18 24.034 -9.023 18.741 1.00 25.00 N ATOM 273 CA ALA A 18 24.348 -7.670 18.335 1.00 25.00 C ATOM 274 C ALA A 18 25.487 -7.158 19.212 1.00 25.00 C ATOM 275 O ALA A 18 25.384 -7.172 20.437 1.00 25.00 O ATOM 276 CB ALA A 18 23.117 -6.796 18.481 1.00 25.00 C ATOM 0 H ALA A 18 23.178 -9.108 19.289 1.00 25.00 H new ATOM 0 HA ALA A 18 24.658 -7.644 17.290 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.356 -5.777 18.175 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.317 -7.186 17.852 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.793 -6.795 19.522 1.00 25.00 H new ATOM 282 N GLU A 19 26.570 -6.742 18.578 1.00 25.00 N ATOM 283 CA GLU A 19 27.747 -6.242 19.290 1.00 25.00 C ATOM 284 C GLU A 19 27.877 -4.743 19.051 1.00 25.00 C ATOM 285 O GLU A 19 28.420 -4.010 19.870 1.00 25.00 O ATOM 286 CB GLU A 19 28.996 -6.982 18.804 1.00 25.00 C ATOM 287 CG GLU A 19 28.944 -8.478 19.115 1.00 25.00 C ATOM 288 CD GLU A 19 30.158 -9.237 18.599 1.00 25.00 C ATOM 289 OE1 GLU A 19 30.356 -9.261 17.360 1.00 25.00 O ATOM 290 OE2 GLU A 19 30.855 -9.886 19.402 1.00 25.00 O ATOM 0 H GLU A 19 26.664 -6.739 17.562 1.00 25.00 H new ATOM 0 HA GLU A 19 27.639 -6.419 20.360 1.00 25.00 H new ATOM 0 HB2 GLU A 19 29.104 -6.841 17.729 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.879 -6.547 19.273 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.868 -8.616 20.193 1.00 25.00 H new ATOM 0 HG3 GLU A 19 28.042 -8.904 18.674 1.00 25.00 H new ATOM 297 N SER A 20 27.317 -4.291 17.941 1.00 25.00 N ATOM 298 CA SER A 20 27.265 -2.869 17.612 1.00 25.00 C ATOM 299 C SER A 20 25.899 -2.341 18.035 1.00 25.00 C ATOM 300 O SER A 20 24.902 -3.064 17.956 1.00 25.00 O ATOM 301 CB SER A 20 27.449 -2.687 16.103 1.00 25.00 C ATOM 302 OG SER A 20 27.202 -1.351 15.695 1.00 25.00 O ATOM 0 H SER A 20 26.885 -4.895 17.241 1.00 25.00 H new ATOM 0 HA SER A 20 28.056 -2.326 18.128 1.00 25.00 H new ATOM 0 HB2 SER A 20 28.464 -2.969 15.825 1.00 25.00 H new ATOM 0 HB3 SER A 20 26.775 -3.359 15.572 1.00 25.00 H new ATOM 0 HG SER A 20 27.331 -1.275 14.727 1.00 25.00 H new ATOM 308 N PRO A 21 25.818 -1.065 18.452 1.00 25.00 N ATOM 309 CA PRO A 21 24.515 -0.496 18.823 1.00 25.00 C ATOM 310 C PRO A 21 23.559 -0.335 17.637 1.00 25.00 C ATOM 311 O PRO A 21 22.361 -0.107 17.826 1.00 25.00 O ATOM 312 CB PRO A 21 24.899 0.862 19.414 1.00 25.00 C ATOM 313 CG PRO A 21 26.165 1.213 18.715 1.00 25.00 C ATOM 314 CD PRO A 21 26.899 -0.072 18.617 1.00 25.00 C ATOM 0 HA PRO A 21 23.966 -1.143 19.507 1.00 25.00 H new ATOM 0 HB2 PRO A 21 24.125 1.608 19.236 1.00 25.00 H new ATOM 0 HB3 PRO A 21 25.042 0.802 20.493 1.00 25.00 H new ATOM 0 HG2 PRO A 21 25.971 1.636 17.729 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.735 1.955 19.274 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.586 -0.080 17.771 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.492 -0.267 19.511 1.00 25.00 H new ATOM 322 N ASP A 22 24.074 -0.486 16.424 1.00 25.00 N ATOM 323 CA ASP A 22 23.257 -0.421 15.220 1.00 25.00 C ATOM 324 C ASP A 22 22.856 -1.811 14.756 1.00 25.00 C ATOM 325 O ASP A 22 22.164 -1.940 13.771 1.00 25.00 O ATOM 326 CB ASP A 22 24.039 0.249 14.083 1.00 25.00 C ATOM 327 CG ASP A 22 23.867 1.748 14.066 1.00 25.00 C ATOM 328 OD1 ASP A 22 22.711 2.217 14.184 1.00 25.00 O ATOM 329 OD2 ASP A 22 24.870 2.459 13.875 1.00 25.00 O ATOM 0 H ASP A 22 25.064 -0.656 16.247 1.00 25.00 H new ATOM 0 HA ASP A 22 22.365 0.157 15.463 1.00 25.00 H new ATOM 0 HB2 ASP A 22 25.098 0.009 14.184 1.00 25.00 H new ATOM 0 HB3 ASP A 22 23.709 -0.162 13.129 1.00 25.00 H new ATOM 334 N GLU A 23 23.331 -2.856 15.411 1.00 25.00 N ATOM 335 CA GLU A 23 23.123 -4.217 14.926 1.00 25.00 C ATOM 336 C GLU A 23 21.880 -4.872 15.530 1.00 25.00 C ATOM 337 O GLU A 23 21.518 -4.621 16.680 1.00 25.00 O ATOM 338 CB GLU A 23 24.376 -5.045 15.234 1.00 25.00 C ATOM 339 CG GLU A 23 24.432 -6.392 14.538 1.00 25.00 C ATOM 340 CD GLU A 23 25.712 -7.149 14.833 1.00 25.00 C ATOM 341 OE1 GLU A 23 26.498 -6.730 15.717 1.00 25.00 O ATOM 342 OE2 GLU A 23 25.920 -8.208 14.203 1.00 25.00 O ATOM 0 H GLU A 23 23.863 -2.793 16.279 1.00 25.00 H new ATOM 0 HA GLU A 23 22.953 -4.175 13.850 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.256 -4.467 14.950 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.434 -5.205 16.311 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.578 -6.994 14.850 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.341 -6.245 13.462 1.00 25.00 H new ATOM 349 N LEU A 24 21.232 -5.728 14.755 1.00 25.00 N ATOM 350 CA LEU A 24 20.086 -6.487 15.246 1.00 25.00 C ATOM 351 C LEU A 24 20.510 -7.829 15.802 1.00 25.00 C ATOM 352 O LEU A 24 21.375 -8.511 15.255 1.00 25.00 O ATOM 353 CB LEU A 24 19.061 -6.733 14.142 1.00 25.00 C ATOM 354 CG LEU A 24 18.292 -5.499 13.663 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.337 -5.893 12.548 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.520 -4.854 14.816 1.00 25.00 C ATOM 0 H LEU A 24 21.478 -5.916 13.783 1.00 25.00 H new ATOM 0 HA LEU A 24 19.637 -5.885 16.036 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.574 -7.173 13.287 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.342 -7.471 14.497 1.00 25.00 H new ATOM 0 HG LEU A 24 19.007 -4.769 13.285 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.791 -5.013 12.209 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.902 -6.312 11.716 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.632 -6.637 12.919 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.982 -3.980 14.450 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.809 -5.572 15.225 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.218 -4.550 15.596 1.00 25.00 H new ATOM 368 N SER A 25 19.839 -8.228 16.866 1.00 25.00 N ATOM 369 CA SER A 25 20.053 -9.519 17.484 1.00 25.00 C ATOM 370 C SER A 25 18.819 -10.351 17.201 1.00 25.00 C ATOM 371 O SER A 25 17.694 -9.887 17.366 1.00 25.00 O ATOM 372 CB SER A 25 20.251 -9.352 18.988 1.00 25.00 C ATOM 373 OG SER A 25 20.020 -8.002 19.369 1.00 25.00 O ATOM 0 H SER A 25 19.127 -7.661 17.327 1.00 25.00 H new ATOM 0 HA SER A 25 20.945 -10.003 17.086 1.00 25.00 H new ATOM 0 HB2 SER A 25 19.570 -10.011 19.527 1.00 25.00 H new ATOM 0 HB3 SER A 25 21.264 -9.647 19.263 1.00 25.00 H new ATOM 0 HG SER A 25 20.148 -7.908 20.336 1.00 25.00 H new ATOM 379 N PHE A 26 19.043 -11.567 16.739 1.00 25.00 N ATOM 380 CA PHE A 26 17.956 -12.490 16.395 1.00 25.00 C ATOM 381 C PHE A 26 18.404 -13.938 16.521 1.00 25.00 C ATOM 382 O PHE A 26 19.589 -14.216 16.691 1.00 25.00 O ATOM 383 CB PHE A 26 17.447 -12.217 14.976 1.00 25.00 C ATOM 384 CG PHE A 26 18.522 -12.182 13.928 1.00 25.00 C ATOM 385 CD1 PHE A 26 19.157 -13.361 13.486 1.00 25.00 C ATOM 386 CD2 PHE A 26 18.877 -10.960 13.337 1.00 25.00 C ATOM 387 CE1 PHE A 26 20.122 -13.316 12.446 1.00 25.00 C ATOM 388 CE2 PHE A 26 19.822 -10.910 12.306 1.00 25.00 C ATOM 389 CZ PHE A 26 20.439 -12.095 11.843 1.00 25.00 C ATOM 0 H PHE A 26 19.976 -11.950 16.589 1.00 25.00 H new ATOM 0 HA PHE A 26 17.142 -12.323 17.100 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.721 -12.985 14.709 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.919 -11.264 14.970 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.907 -14.307 13.943 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.415 -10.047 13.682 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.610 -14.223 12.121 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.082 -9.961 11.861 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.149 -12.057 11.030 1.00 25.00 H new ATOM 399 N ARG A 27 17.457 -14.862 16.426 1.00 25.00 N ATOM 400 CA ARG A 27 17.729 -16.288 16.545 1.00 25.00 C ATOM 401 C ARG A 27 17.645 -16.938 15.162 1.00 25.00 C ATOM 402 O ARG A 27 16.987 -16.436 14.261 1.00 25.00 O ATOM 403 CB ARG A 27 16.703 -16.897 17.523 1.00 25.00 C ATOM 404 CG ARG A 27 16.914 -18.373 17.881 1.00 25.00 C ATOM 405 CD ARG A 27 18.217 -18.611 18.658 1.00 25.00 C ATOM 406 NE ARG A 27 18.558 -20.046 18.718 1.00 25.00 N ATOM 407 CZ ARG A 27 19.775 -20.540 18.944 1.00 25.00 C ATOM 408 NH1 ARG A 27 20.817 -19.777 19.152 1.00 25.00 N ATOM 409 NH2 ARG A 27 19.944 -21.833 18.950 1.00 25.00 N ATOM 0 H ARG A 27 16.474 -14.642 16.264 1.00 25.00 H new ATOM 0 HA ARG A 27 18.732 -16.464 16.934 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.717 -16.314 18.444 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.708 -16.786 17.091 1.00 25.00 H new ATOM 0 HG2 ARG A 27 16.071 -18.723 18.477 1.00 25.00 H new ATOM 0 HG3 ARG A 27 16.927 -18.967 16.967 1.00 25.00 H new ATOM 0 HD2 ARG A 27 19.030 -18.062 18.183 1.00 25.00 H new ATOM 0 HD3 ARG A 27 18.115 -18.218 19.669 1.00 25.00 H new ATOM 0 HE ARG A 27 17.800 -20.714 18.575 1.00 25.00 H new ATOM 0 HH11 ARG A 27 20.715 -18.762 19.145 1.00 25.00 H new ATOM 0 HH12 ARG A 27 21.731 -20.197 19.321 1.00 25.00 H new ATOM 0 HH21 ARG A 27 19.151 -22.452 18.783 1.00 25.00 H new ATOM 0 HH22 ARG A 27 20.870 -22.226 19.122 1.00 25.00 H new ATOM 423 N LYS A 28 18.317 -18.069 15.005 1.00 25.00 N ATOM 424 CA LYS A 28 18.260 -18.852 13.774 1.00 25.00 C ATOM 425 C LYS A 28 16.805 -19.193 13.466 1.00 25.00 C ATOM 426 O LYS A 28 16.079 -19.674 14.329 1.00 25.00 O ATOM 427 CB LYS A 28 19.075 -20.132 13.975 1.00 25.00 C ATOM 428 CG LYS A 28 19.054 -21.105 12.812 1.00 25.00 C ATOM 429 CD LYS A 28 20.067 -22.218 13.068 1.00 25.00 C ATOM 430 CE LYS A 28 20.111 -23.243 11.943 1.00 25.00 C ATOM 431 NZ LYS A 28 21.528 -23.420 11.498 1.00 25.00 N ATOM 0 H LYS A 28 18.917 -18.472 15.725 1.00 25.00 H new ATOM 0 HA LYS A 28 18.673 -18.286 12.939 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.110 -19.856 14.177 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.703 -20.644 14.862 1.00 25.00 H new ATOM 0 HG2 LYS A 28 18.056 -21.526 12.693 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.293 -20.586 11.884 1.00 25.00 H new ATOM 0 HD2 LYS A 28 21.057 -21.780 13.194 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.819 -22.721 14.003 1.00 25.00 H new ATOM 0 HE2 LYS A 28 19.702 -24.194 12.285 1.00 25.00 H new ATOM 0 HE3 LYS A 28 19.493 -22.912 11.108 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 21.577 -24.179 10.789 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 21.874 -22.533 11.080 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 22.120 -23.671 12.316 1.00 25.00 H new ATOM 445 N GLY A 29 16.399 -18.941 12.230 1.00 25.00 N ATOM 446 CA GLY A 29 15.037 -19.203 11.796 1.00 25.00 C ATOM 447 C GLY A 29 14.151 -17.971 11.780 1.00 25.00 C ATOM 448 O GLY A 29 13.055 -18.024 11.217 1.00 25.00 O ATOM 0 H GLY A 29 17.001 -18.552 11.505 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.061 -19.635 10.795 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.593 -19.950 12.454 1.00 25.00 H new ATOM 452 N ASP A 30 14.611 -16.872 12.368 1.00 25.00 N ATOM 453 CA ASP A 30 13.816 -15.642 12.439 1.00 25.00 C ATOM 454 C ASP A 30 13.734 -14.987 11.072 1.00 25.00 C ATOM 455 O ASP A 30 14.591 -15.216 10.212 1.00 25.00 O ATOM 456 CB ASP A 30 14.439 -14.641 13.423 1.00 25.00 C ATOM 457 CG ASP A 30 14.223 -15.030 14.881 1.00 25.00 C ATOM 458 OD1 ASP A 30 13.492 -16.006 15.151 1.00 25.00 O ATOM 459 OD2 ASP A 30 14.784 -14.343 15.764 1.00 25.00 O ATOM 0 H ASP A 30 15.531 -16.803 12.804 1.00 25.00 H new ATOM 0 HA ASP A 30 12.818 -15.915 12.783 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.509 -14.564 13.227 1.00 25.00 H new ATOM 0 HB3 ASP A 30 14.012 -13.654 13.248 1.00 25.00 H new ATOM 464 N ILE A 31 12.715 -14.158 10.883 1.00 25.00 N ATOM 465 CA ILE A 31 12.500 -13.442 9.626 1.00 25.00 C ATOM 466 C ILE A 31 12.554 -11.945 9.886 1.00 25.00 C ATOM 467 O ILE A 31 11.854 -11.443 10.759 1.00 25.00 O ATOM 468 CB ILE A 31 11.100 -13.762 9.006 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.942 -15.274 8.743 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.882 -12.963 7.689 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.984 -15.889 7.830 1.00 25.00 C ATOM 0 H ILE A 31 12.012 -13.961 11.596 1.00 25.00 H new ATOM 0 HA ILE A 31 13.279 -13.760 8.933 1.00 25.00 H new ATOM 0 HB ILE A 31 10.342 -13.458 9.727 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.968 -15.796 9.699 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.957 -15.449 8.311 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.902 -13.202 7.276 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.937 -11.895 7.898 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.654 -13.232 6.968 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.781 -16.953 7.712 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.947 -15.402 6.856 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.974 -15.755 8.265 1.00 25.00 H new ATOM 483 N MET A 32 13.350 -11.235 9.100 1.00 25.00 N ATOM 484 CA MET A 32 13.438 -9.782 9.188 1.00 25.00 C ATOM 485 C MET A 32 13.208 -9.173 7.821 1.00 25.00 C ATOM 486 O MET A 32 13.398 -9.826 6.790 1.00 25.00 O ATOM 487 CB MET A 32 14.802 -9.353 9.723 1.00 25.00 C ATOM 488 CG MET A 32 15.982 -9.924 8.966 1.00 25.00 C ATOM 489 SD MET A 32 17.247 -10.438 10.119 1.00 25.00 S ATOM 490 CE MET A 32 16.488 -11.955 10.835 1.00 25.00 C ATOM 0 H MET A 32 13.951 -11.646 8.386 1.00 25.00 H new ATOM 0 HA MET A 32 12.671 -9.430 9.878 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.862 -8.265 9.697 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.878 -9.652 10.768 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.662 -10.772 8.361 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.383 -9.177 8.281 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.548 -11.913 11.923 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.443 -12.017 10.531 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.023 -12.834 10.475 1.00 25.00 H new ATOM 500 N THR A 33 12.788 -7.922 7.828 1.00 25.00 N ATOM 501 CA THR A 33 12.525 -7.180 6.596 1.00 25.00 C ATOM 502 C THR A 33 13.780 -6.434 6.172 1.00 25.00 C ATOM 503 O THR A 33 14.198 -5.521 6.857 1.00 25.00 O ATOM 504 CB THR A 33 11.401 -6.151 6.817 1.00 25.00 C ATOM 505 OG1 THR A 33 10.206 -6.836 7.200 1.00 25.00 O ATOM 506 CG2 THR A 33 11.119 -5.361 5.560 1.00 25.00 C ATOM 0 H THR A 33 12.618 -7.388 8.680 1.00 25.00 H new ATOM 0 HA THR A 33 12.225 -7.890 5.825 1.00 25.00 H new ATOM 0 HB THR A 33 11.724 -5.462 7.597 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.488 -6.185 7.344 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.321 -4.644 5.752 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.020 -4.828 5.256 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.813 -6.040 4.764 1.00 25.00 H new ATOM 514 N VAL A 34 14.380 -6.820 5.060 1.00 25.00 N ATOM 515 CA VAL A 34 15.585 -6.162 4.555 1.00 25.00 C ATOM 516 C VAL A 34 15.197 -4.877 3.866 1.00 25.00 C ATOM 517 O VAL A 34 14.361 -4.864 2.962 1.00 25.00 O ATOM 518 CB VAL A 34 16.345 -7.041 3.555 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.677 -6.393 3.141 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.591 -8.403 4.162 1.00 25.00 C ATOM 0 H VAL A 34 14.053 -7.593 4.480 1.00 25.00 H new ATOM 0 HA VAL A 34 16.238 -5.971 5.407 1.00 25.00 H new ATOM 0 HB VAL A 34 15.735 -7.148 2.658 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.192 -7.041 2.432 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.482 -5.427 2.675 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.302 -6.251 4.023 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.131 -9.027 3.450 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.182 -8.295 5.071 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.637 -8.871 4.403 1.00 25.00 H new ATOM 530 N LEU A 35 15.796 -3.795 4.315 1.00 25.00 N ATOM 531 CA LEU A 35 15.506 -2.471 3.813 1.00 25.00 C ATOM 532 C LEU A 35 16.541 -2.054 2.791 1.00 25.00 C ATOM 533 O LEU A 35 16.189 -1.585 1.722 1.00 25.00 O ATOM 534 CB LEU A 35 15.498 -1.503 4.984 1.00 25.00 C ATOM 535 CG LEU A 35 14.438 -1.828 6.043 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.692 -0.964 7.226 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.019 -1.614 5.523 1.00 25.00 C ATOM 0 H LEU A 35 16.506 -3.811 5.047 1.00 25.00 H new ATOM 0 HA LEU A 35 14.532 -2.467 3.323 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.482 -1.506 5.454 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.327 -0.494 4.609 1.00 25.00 H new ATOM 0 HG LEU A 35 14.514 -2.882 6.309 1.00 25.00 H new ATOM 0 HD11 LEU A 35 13.951 -1.175 7.997 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.689 -1.166 7.617 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.623 0.084 6.933 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.303 -1.857 6.308 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.893 -0.573 5.227 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.846 -2.259 4.662 1.00 25.00 H new ATOM 549 N GLU A 36 17.810 -2.285 3.076 1.00 25.00 N ATOM 550 CA GLU A 36 18.856 -2.049 2.080 1.00 25.00 C ATOM 551 C GLU A 36 20.038 -2.956 2.366 1.00 25.00 C ATOM 552 O GLU A 36 20.060 -3.639 3.384 1.00 25.00 O ATOM 553 CB GLU A 36 19.266 -0.567 2.018 1.00 25.00 C ATOM 554 CG GLU A 36 20.201 -0.068 3.043 1.00 25.00 C ATOM 555 CD GLU A 36 20.323 1.454 3.008 1.00 25.00 C ATOM 556 OE1 GLU A 36 19.865 2.075 2.027 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.834 2.029 3.991 1.00 25.00 O ATOM 0 H GLU A 36 18.145 -2.631 3.975 1.00 25.00 H new ATOM 0 HA GLU A 36 18.462 -2.292 1.093 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.712 -0.384 1.040 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.358 0.034 2.072 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.860 -0.383 4.029 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.183 -0.515 2.887 1.00 25.00 H new ATOM 564 N ARG A 37 21.005 -2.989 1.465 1.00 25.00 N ATOM 565 CA ARG A 37 22.183 -3.831 1.630 1.00 25.00 C ATOM 566 C ARG A 37 23.381 -2.939 1.482 1.00 25.00 C ATOM 567 O ARG A 37 23.298 -1.945 0.772 1.00 25.00 O ATOM 568 CB ARG A 37 22.243 -4.902 0.551 1.00 25.00 C ATOM 569 CG ARG A 37 21.031 -5.824 0.497 1.00 25.00 C ATOM 570 CD ARG A 37 21.341 -7.035 -0.369 1.00 25.00 C ATOM 571 NE ARG A 37 22.013 -6.636 -1.619 1.00 25.00 N ATOM 572 CZ ARG A 37 22.559 -7.463 -2.499 1.00 25.00 C ATOM 573 NH1 ARG A 37 22.524 -8.766 -2.354 1.00 25.00 N ATOM 574 NH2 ARG A 37 23.160 -6.966 -3.543 1.00 25.00 N ATOM 0 H ARG A 37 20.999 -2.440 0.606 1.00 25.00 H new ATOM 0 HA ARG A 37 22.152 -4.325 2.601 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.355 -4.416 -0.418 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.136 -5.507 0.709 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.762 -6.145 1.503 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.172 -5.287 0.093 1.00 25.00 H new ATOM 0 HD2 ARG A 37 21.976 -7.728 0.183 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.418 -7.565 -0.602 1.00 25.00 H new ATOM 0 HE ARG A 37 22.062 -5.638 -1.824 1.00 25.00 H new ATOM 0 HH11 ARG A 37 22.064 -9.177 -1.541 1.00 25.00 H new ATOM 0 HH12 ARG A 37 22.956 -9.369 -3.054 1.00 25.00 H new ATOM 0 HH21 ARG A 37 23.205 -5.955 -3.673 1.00 25.00 H new ATOM 0 HH22 ARG A 37 23.586 -7.588 -4.230 1.00 25.00 H new ATOM 588 N ASP A 38 24.465 -3.306 2.150 1.00 25.00 N ATOM 589 CA ASP A 38 25.740 -2.589 2.089 1.00 25.00 C ATOM 590 C ASP A 38 25.494 -1.148 2.555 1.00 25.00 C ATOM 591 O ASP A 38 26.053 -0.165 2.062 1.00 25.00 O ATOM 592 CB ASP A 38 26.339 -2.749 0.689 1.00 25.00 C ATOM 593 CG ASP A 38 26.325 -4.218 0.235 1.00 25.00 C ATOM 594 OD1 ASP A 38 26.822 -5.086 1.005 1.00 25.00 O ATOM 595 OD2 ASP A 38 25.671 -4.532 -0.794 1.00 25.00 O ATOM 0 H ASP A 38 24.488 -4.123 2.761 1.00 25.00 H new ATOM 0 HA ASP A 38 26.496 -2.996 2.761 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.776 -2.142 -0.020 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.363 -2.376 0.685 1.00 25.00 H new ATOM 600 N THR A 39 24.585 -1.073 3.518 1.00 25.00 N ATOM 601 CA THR A 39 24.106 0.175 4.100 1.00 25.00 C ATOM 602 C THR A 39 25.230 0.929 4.787 1.00 25.00 C ATOM 603 O THR A 39 26.123 0.329 5.350 1.00 25.00 O ATOM 604 CB THR A 39 22.986 -0.120 5.129 1.00 25.00 C ATOM 605 OG1 THR A 39 22.563 1.083 5.769 1.00 25.00 O ATOM 606 CG2 THR A 39 23.412 -1.100 6.170 1.00 25.00 C ATOM 0 H THR A 39 24.149 -1.899 3.927 1.00 25.00 H new ATOM 0 HA THR A 39 23.716 0.794 3.292 1.00 25.00 H new ATOM 0 HB THR A 39 22.159 -0.557 4.569 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.840 1.493 5.250 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.591 -1.272 6.866 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.686 -2.041 5.693 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.271 -0.704 6.713 1.00 25.00 H new ATOM 614 N GLN A 40 25.179 2.254 4.716 1.00 25.00 N ATOM 615 CA GLN A 40 26.184 3.151 5.306 1.00 25.00 C ATOM 616 C GLN A 40 27.611 2.898 4.792 1.00 25.00 C ATOM 617 O GLN A 40 28.578 3.364 5.384 1.00 25.00 O ATOM 618 CB GLN A 40 26.156 3.086 6.845 1.00 25.00 C ATOM 619 CG GLN A 40 24.756 3.006 7.444 1.00 25.00 C ATOM 620 CD GLN A 40 24.715 3.460 8.886 1.00 25.00 C ATOM 621 OE1 GLN A 40 24.861 4.635 9.175 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.507 2.536 9.790 1.00 25.00 N ATOM 0 H GLN A 40 24.427 2.751 4.239 1.00 25.00 H new ATOM 0 HA GLN A 40 25.906 4.154 4.982 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.728 2.217 7.171 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.659 3.967 7.243 1.00 25.00 H new ATOM 0 HG2 GLN A 40 24.076 3.621 6.854 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.395 1.980 7.379 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.390 1.563 9.507 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.462 2.789 10.777 1.00 25.00 H new ATOM 631 N GLY A 41 27.737 2.155 3.696 1.00 25.00 N ATOM 632 CA GLY A 41 29.047 1.815 3.163 1.00 25.00 C ATOM 633 C GLY A 41 29.648 0.633 3.899 1.00 25.00 C ATOM 634 O GLY A 41 30.840 0.361 3.791 1.00 25.00 O ATOM 0 H GLY A 41 26.951 1.780 3.164 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.961 1.581 2.102 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.711 2.675 3.247 1.00 25.00 H new ATOM 638 N LEU A 42 28.827 -0.061 4.674 1.00 25.00 N ATOM 639 CA LEU A 42 29.270 -1.205 5.442 1.00 25.00 C ATOM 640 C LEU A 42 29.065 -2.445 4.588 1.00 25.00 C ATOM 641 O LEU A 42 27.987 -3.031 4.564 1.00 25.00 O ATOM 642 CB LEU A 42 28.463 -1.295 6.736 1.00 25.00 C ATOM 643 CG LEU A 42 28.505 -0.073 7.655 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.401 -0.194 8.679 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.841 0.027 8.365 1.00 25.00 C ATOM 0 H LEU A 42 27.837 0.157 4.785 1.00 25.00 H new ATOM 0 HA LEU A 42 30.323 -1.113 5.709 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.423 -1.490 6.476 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.818 -2.158 7.300 1.00 25.00 H new ATOM 0 HG LEU A 42 28.369 0.825 7.053 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.421 0.672 9.340 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.437 -0.241 8.171 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.546 -1.101 9.265 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.844 0.904 9.012 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.001 -0.868 8.966 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.639 0.117 7.628 1.00 25.00 H new ATOM 657 N ASP A 43 30.094 -2.818 3.851 1.00 25.00 N ATOM 658 CA ASP A 43 30.008 -3.960 2.941 1.00 25.00 C ATOM 659 C ASP A 43 29.611 -5.226 3.693 1.00 25.00 C ATOM 660 O ASP A 43 30.194 -5.571 4.724 1.00 25.00 O ATOM 661 CB ASP A 43 31.348 -4.201 2.243 1.00 25.00 C ATOM 662 CG ASP A 43 31.591 -3.239 1.096 1.00 25.00 C ATOM 663 OD1 ASP A 43 30.703 -3.109 0.229 1.00 25.00 O ATOM 664 OD2 ASP A 43 32.693 -2.654 1.035 1.00 25.00 O ATOM 0 H ASP A 43 31.001 -2.352 3.860 1.00 25.00 H new ATOM 0 HA ASP A 43 29.247 -3.726 2.197 1.00 25.00 H new ATOM 0 HB2 ASP A 43 32.154 -4.104 2.970 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.379 -5.224 1.867 1.00 25.00 H new ATOM 669 N GLY A 44 28.600 -5.914 3.180 1.00 25.00 N ATOM 670 CA GLY A 44 28.141 -7.147 3.798 1.00 25.00 C ATOM 671 C GLY A 44 27.110 -6.948 4.895 1.00 25.00 C ATOM 672 O GLY A 44 26.445 -7.913 5.293 1.00 25.00 O ATOM 0 H GLY A 44 28.086 -5.640 2.343 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.715 -7.790 3.027 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.000 -7.674 4.214 1.00 25.00 H new ATOM 676 N TRP A 45 26.948 -5.727 5.385 1.00 25.00 N ATOM 677 CA TRP A 45 25.956 -5.433 6.394 1.00 25.00 C ATOM 678 C TRP A 45 24.670 -5.029 5.703 1.00 25.00 C ATOM 679 O TRP A 45 24.669 -4.194 4.808 1.00 25.00 O ATOM 680 CB TRP A 45 26.478 -4.299 7.256 1.00 25.00 C ATOM 681 CG TRP A 45 27.546 -4.765 8.185 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.885 -4.576 8.079 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.363 -5.524 9.386 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.557 -5.135 9.124 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.651 -5.754 9.945 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.235 -6.031 10.052 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.829 -6.487 11.135 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.406 -6.743 11.246 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.699 -6.975 11.774 1.00 25.00 C ATOM 0 H TRP A 45 27.500 -4.921 5.093 1.00 25.00 H new ATOM 0 HA TRP A 45 25.761 -6.302 7.022 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.870 -3.507 6.618 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.657 -3.870 7.830 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.360 -4.047 7.266 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.566 -5.099 9.271 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.246 -5.873 9.648 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.816 -6.664 11.537 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.540 -7.120 11.771 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.807 -7.540 12.688 1.00 25.00 H new ATOM 700 N TRP A 46 23.566 -5.637 6.093 1.00 25.00 N ATOM 701 CA TRP A 46 22.282 -5.372 5.454 1.00 25.00 C ATOM 702 C TRP A 46 21.345 -4.745 6.472 1.00 25.00 C ATOM 703 O TRP A 46 21.154 -5.284 7.553 1.00 25.00 O ATOM 704 CB TRP A 46 21.691 -6.676 4.902 1.00 25.00 C ATOM 705 CG TRP A 46 22.538 -7.320 3.803 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.654 -6.815 3.204 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.329 -8.604 3.177 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.150 -7.657 2.258 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.364 -8.774 2.208 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.373 -9.628 3.335 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.453 -9.924 1.395 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.477 -10.792 2.537 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.504 -10.920 1.566 1.00 25.00 C ATOM 0 H TRP A 46 23.528 -6.320 6.850 1.00 25.00 H new ATOM 0 HA TRP A 46 22.417 -4.683 4.620 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.574 -7.386 5.721 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.694 -6.475 4.509 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.092 -5.859 3.451 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.973 -7.483 1.681 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.574 -9.526 4.054 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.238 -10.025 0.660 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.765 -11.594 2.669 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.547 -11.807 0.951 1.00 25.00 H new ATOM 724 N LEU A 47 20.785 -3.597 6.132 1.00 25.00 N ATOM 725 CA LEU A 47 19.858 -2.904 7.013 1.00 25.00 C ATOM 726 C LEU A 47 18.566 -3.674 6.988 1.00 25.00 C ATOM 727 O LEU A 47 17.993 -3.871 5.926 1.00 25.00 O ATOM 728 CB LEU A 47 19.610 -1.480 6.512 1.00 25.00 C ATOM 729 CG LEU A 47 18.635 -0.614 7.319 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.067 -0.472 8.764 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.521 0.760 6.671 1.00 25.00 C ATOM 0 H LEU A 47 20.957 -3.122 5.246 1.00 25.00 H new ATOM 0 HA LEU A 47 20.266 -2.843 8.022 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.569 -0.963 6.474 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.240 -1.541 5.489 1.00 25.00 H new ATOM 0 HG LEU A 47 17.664 -1.109 7.316 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.349 0.149 9.299 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.113 -1.457 9.229 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.051 -0.006 8.805 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.828 1.376 7.244 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.501 1.237 6.654 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.152 0.652 5.651 1.00 25.00 H new ATOM 743 N CYS A 48 18.106 -4.111 8.144 1.00 25.00 N ATOM 744 CA CYS A 48 16.857 -4.837 8.241 1.00 25.00 C ATOM 745 C CYS A 48 16.039 -4.303 9.396 1.00 25.00 C ATOM 746 O CYS A 48 16.518 -3.503 10.194 1.00 25.00 O ATOM 747 CB CYS A 48 17.117 -6.341 8.423 1.00 25.00 C ATOM 748 SG CYS A 48 18.320 -7.036 7.258 1.00 25.00 S ATOM 0 H CYS A 48 18.583 -3.974 9.035 1.00 25.00 H new ATOM 0 HA CYS A 48 16.299 -4.696 7.315 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.470 -6.517 9.439 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.174 -6.877 8.316 1.00 25.00 H new ATOM 0 HG CYS A 48 19.437 -6.377 7.343 1.00 25.00 H new ATOM 754 N SER A 49 14.806 -4.764 9.484 1.00 25.00 N ATOM 755 CA SER A 49 13.912 -4.400 10.564 1.00 25.00 C ATOM 756 C SER A 49 13.339 -5.683 11.147 1.00 25.00 C ATOM 757 O SER A 49 12.911 -6.583 10.415 1.00 25.00 O ATOM 758 CB SER A 49 12.827 -3.459 10.039 1.00 25.00 C ATOM 759 OG SER A 49 11.548 -4.066 10.012 1.00 25.00 O ATOM 0 H SER A 49 14.395 -5.404 8.805 1.00 25.00 H new ATOM 0 HA SER A 49 14.437 -3.863 11.354 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.789 -2.568 10.666 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.091 -3.131 9.034 1.00 25.00 H new ATOM 0 HG SER A 49 10.889 -3.426 9.671 1.00 25.00 H new ATOM 765 N LEU A 50 13.409 -5.796 12.465 1.00 25.00 N ATOM 766 CA LEU A 50 12.955 -6.981 13.183 1.00 25.00 C ATOM 767 C LEU A 50 12.352 -6.517 14.495 1.00 25.00 C ATOM 768 O LEU A 50 12.949 -5.701 15.186 1.00 25.00 O ATOM 769 CB LEU A 50 14.142 -7.906 13.466 1.00 25.00 C ATOM 770 CG LEU A 50 13.781 -9.216 14.182 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.911 -10.379 13.250 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.665 -9.401 15.402 1.00 25.00 C ATOM 0 H LEU A 50 13.784 -5.066 13.071 1.00 25.00 H new ATOM 0 HA LEU A 50 12.222 -7.528 12.590 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.630 -8.147 12.522 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.869 -7.366 14.072 1.00 25.00 H new ATOM 0 HG LEU A 50 12.743 -9.163 14.510 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.651 -11.298 13.776 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.239 -10.243 12.403 1.00 25.00 H new ATOM 0 HD13 LEU A 50 14.938 -10.445 12.891 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.402 -10.332 15.904 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.709 -9.438 15.092 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.519 -8.566 16.087 1.00 25.00 H new ATOM 784 N HIS A 51 11.151 -6.996 14.799 1.00 25.00 N ATOM 785 CA HIS A 51 10.431 -6.646 16.036 1.00 25.00 C ATOM 786 C HIS A 51 10.279 -5.122 16.207 1.00 25.00 C ATOM 787 O HIS A 51 10.235 -4.614 17.318 1.00 25.00 O ATOM 788 CB HIS A 51 11.149 -7.239 17.265 1.00 25.00 C ATOM 789 CG HIS A 51 11.310 -8.729 17.215 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.182 -9.438 18.002 1.00 25.00 N ATOM 791 CD2 HIS A 51 10.687 -9.670 16.448 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.065 -10.729 17.697 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.164 -10.925 16.757 1.00 25.00 N ATOM 0 H HIS A 51 10.640 -7.642 14.197 1.00 25.00 H new ATOM 0 HA HIS A 51 9.432 -7.074 15.956 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.134 -6.780 17.355 1.00 25.00 H new ATOM 0 HB3 HIS A 51 10.591 -6.974 18.163 1.00 25.00 H new ATOM 0 HD2 HIS A 51 9.930 -9.461 15.706 1.00 25.00 H new ATOM 0 HE1 HIS A 51 12.638 -11.517 18.163 1.00 25.00 H new ATOM 0 HE2 HIS A 51 10.880 -11.814 16.346 1.00 25.00 H new ATOM 801 N GLY A 52 10.191 -4.403 15.094 1.00 25.00 N ATOM 802 CA GLY A 52 10.033 -2.956 15.143 1.00 25.00 C ATOM 803 C GLY A 52 11.319 -2.176 15.388 1.00 25.00 C ATOM 804 O GLY A 52 11.274 -0.963 15.555 1.00 25.00 O ATOM 0 H GLY A 52 10.226 -4.796 14.153 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.596 -2.621 14.202 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.321 -2.710 15.930 1.00 25.00 H new ATOM 808 N ARG A 53 12.464 -2.849 15.388 1.00 25.00 N ATOM 809 CA ARG A 53 13.756 -2.194 15.596 1.00 25.00 C ATOM 810 C ARG A 53 14.484 -2.324 14.282 1.00 25.00 C ATOM 811 O ARG A 53 14.444 -3.375 13.652 1.00 25.00 O ATOM 812 CB ARG A 53 14.534 -2.894 16.725 1.00 25.00 C ATOM 813 CG ARG A 53 15.437 -1.975 17.585 1.00 25.00 C ATOM 814 CD ARG A 53 16.810 -1.686 16.954 1.00 25.00 C ATOM 815 NE ARG A 53 17.722 -1.033 17.914 1.00 25.00 N ATOM 816 CZ ARG A 53 18.837 -0.371 17.603 1.00 25.00 C ATOM 817 NH1 ARG A 53 19.241 -0.187 16.373 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.565 0.120 18.563 1.00 25.00 N ATOM 0 H ARG A 53 12.526 -3.857 15.245 1.00 25.00 H new ATOM 0 HA ARG A 53 13.645 -1.151 15.892 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.819 -3.389 17.382 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.155 -3.674 16.285 1.00 25.00 H new ATOM 0 HG2 ARG A 53 14.920 -1.031 17.756 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.586 -2.438 18.561 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.254 -2.618 16.605 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.682 -1.047 16.080 1.00 25.00 H new ATOM 0 HE ARG A 53 17.478 -1.094 18.902 1.00 25.00 H new ATOM 0 HH11 ARG A 53 18.694 -0.558 15.596 1.00 25.00 H new ATOM 0 HH12 ARG A 53 20.103 0.328 16.191 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.280 -0.004 19.534 1.00 25.00 H new ATOM 0 HH22 ARG A 53 20.421 0.629 18.344 1.00 25.00 H new ATOM 832 N GLN A 54 15.127 -1.257 13.860 1.00 25.00 N ATOM 833 CA GLN A 54 15.881 -1.251 12.614 1.00 25.00 C ATOM 834 C GLN A 54 17.356 -1.350 12.945 1.00 25.00 C ATOM 835 O GLN A 54 17.795 -0.786 13.940 1.00 25.00 O ATOM 836 CB GLN A 54 15.608 0.046 11.858 1.00 25.00 C ATOM 837 CG GLN A 54 14.847 -0.165 10.589 1.00 25.00 C ATOM 838 CD GLN A 54 14.539 1.136 9.874 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.388 1.483 9.679 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.561 1.850 9.474 1.00 25.00 N ATOM 0 H GLN A 54 15.145 -0.371 14.364 1.00 25.00 H new ATOM 0 HA GLN A 54 15.582 -2.093 11.990 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.048 0.724 12.502 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.556 0.533 11.630 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.423 -0.812 9.927 1.00 25.00 H new ATOM 0 HG3 GLN A 54 13.914 -0.684 10.810 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.511 1.527 9.656 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.407 2.729 8.981 1.00 25.00 H new ATOM 849 N GLY A 55 18.115 -2.058 12.128 1.00 25.00 N ATOM 850 CA GLY A 55 19.539 -2.185 12.366 1.00 25.00 C ATOM 851 C GLY A 55 20.234 -3.036 11.326 1.00 25.00 C ATOM 852 O GLY A 55 19.578 -3.657 10.494 1.00 25.00 O ATOM 0 H GLY A 55 17.772 -2.549 11.302 1.00 25.00 H new ATOM 0 HA2 GLY A 55 19.991 -1.193 12.378 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.700 -2.621 13.352 1.00 25.00 H new ATOM 856 N ILE A 56 21.556 -3.046 11.349 1.00 25.00 N ATOM 857 CA ILE A 56 22.344 -3.807 10.385 1.00 25.00 C ATOM 858 C ILE A 56 22.428 -5.271 10.808 1.00 25.00 C ATOM 859 O ILE A 56 22.241 -5.618 11.977 1.00 25.00 O ATOM 860 CB ILE A 56 23.769 -3.200 10.209 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.569 -3.313 11.524 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.642 -1.726 9.780 1.00 25.00 C ATOM 863 CD1 ILE A 56 25.977 -2.755 11.462 1.00 25.00 C ATOM 0 H ILE A 56 22.114 -2.531 12.031 1.00 25.00 H new ATOM 0 HA ILE A 56 21.842 -3.750 9.419 1.00 25.00 H new ATOM 0 HB ILE A 56 24.305 -3.754 9.439 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.022 -2.794 12.311 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.622 -4.363 11.812 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.636 -1.296 9.655 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.100 -1.667 8.836 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.100 -1.170 10.545 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.460 -2.879 12.431 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.547 -3.289 10.701 1.00 25.00 H new ATOM 0 HD13 ILE A 56 25.938 -1.696 11.209 1.00 25.00 H new ATOM 875 N VAL A 57 22.659 -6.124 9.827 1.00 25.00 N ATOM 876 CA VAL A 57 22.723 -7.570 10.021 1.00 25.00 C ATOM 877 C VAL A 57 23.827 -8.121 9.130 1.00 25.00 C ATOM 878 O VAL A 57 23.952 -7.699 7.981 1.00 25.00 O ATOM 879 CB VAL A 57 21.390 -8.231 9.573 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.448 -9.732 9.643 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.223 -7.691 10.400 1.00 25.00 C ATOM 0 H VAL A 57 22.810 -5.834 8.861 1.00 25.00 H new ATOM 0 HA VAL A 57 22.907 -7.782 11.074 1.00 25.00 H new ATOM 0 HB VAL A 57 21.231 -7.969 8.527 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.494 -10.148 9.320 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.242 -10.096 8.991 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.651 -10.041 10.669 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.297 -8.164 10.074 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.391 -7.911 11.454 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.148 -6.612 10.262 1.00 25.00 H new ATOM 891 N PRO A 58 24.616 -9.089 9.617 1.00 25.00 N ATOM 892 CA PRO A 58 25.602 -9.691 8.720 1.00 25.00 C ATOM 893 C PRO A 58 24.922 -10.566 7.662 1.00 25.00 C ATOM 894 O PRO A 58 24.347 -11.616 7.972 1.00 25.00 O ATOM 895 CB PRO A 58 26.466 -10.515 9.677 1.00 25.00 C ATOM 896 CG PRO A 58 25.539 -10.896 10.782 1.00 25.00 C ATOM 897 CD PRO A 58 24.625 -9.720 10.949 1.00 25.00 C ATOM 0 HA PRO A 58 26.179 -8.964 8.149 1.00 25.00 H new ATOM 0 HB2 PRO A 58 26.877 -11.395 9.183 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.310 -9.935 10.049 1.00 25.00 H new ATOM 0 HG2 PRO A 58 24.979 -11.798 10.534 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.086 -11.104 11.702 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.625 -10.031 11.251 1.00 25.00 H new ATOM 0 HD3 PRO A 58 24.991 -9.035 11.714 1.00 25.00 H new ATOM 905 N GLY A 59 25.002 -10.151 6.405 1.00 25.00 N ATOM 906 CA GLY A 59 24.399 -10.902 5.313 1.00 25.00 C ATOM 907 C GLY A 59 24.945 -12.313 5.203 1.00 25.00 C ATOM 908 O GLY A 59 24.277 -13.209 4.717 1.00 25.00 O ATOM 0 H GLY A 59 25.479 -9.297 6.116 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.320 -10.945 5.459 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.573 -10.375 4.375 1.00 25.00 H new ATOM 912 N ASN A 60 26.145 -12.522 5.726 1.00 25.00 N ATOM 913 CA ASN A 60 26.787 -13.840 5.730 1.00 25.00 C ATOM 914 C ASN A 60 26.034 -14.877 6.588 1.00 25.00 C ATOM 915 O ASN A 60 26.303 -16.070 6.513 1.00 25.00 O ATOM 916 CB ASN A 60 28.226 -13.692 6.242 1.00 25.00 C ATOM 917 CG ASN A 60 29.131 -14.809 5.772 1.00 25.00 C ATOM 918 OD1 ASN A 60 28.870 -15.459 4.778 1.00 25.00 O ATOM 919 ND2 ASN A 60 30.216 -15.003 6.462 1.00 25.00 N ATOM 0 H ASN A 60 26.705 -11.788 6.160 1.00 25.00 H new ATOM 0 HA ASN A 60 26.774 -14.213 4.706 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.630 -12.737 5.906 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.219 -13.670 7.332 1.00 25.00 H new ATOM 0 HD21 ASN A 60 30.882 -15.720 6.174 1.00 25.00 H new ATOM 0 HD22 ASN A 60 30.401 -14.438 7.291 1.00 25.00 H new ATOM 926 N ARG A 61 25.091 -14.417 7.406 1.00 25.00 N ATOM 927 CA ARG A 61 24.279 -15.305 8.248 1.00 25.00 C ATOM 928 C ARG A 61 22.804 -15.220 7.864 1.00 25.00 C ATOM 929 O ARG A 61 21.936 -15.733 8.579 1.00 25.00 O ATOM 930 CB ARG A 61 24.447 -14.920 9.724 1.00 25.00 C ATOM 931 CG ARG A 61 25.864 -15.111 10.249 1.00 25.00 C ATOM 932 CD ARG A 61 25.958 -14.727 11.715 1.00 25.00 C ATOM 933 NE ARG A 61 27.297 -15.012 12.254 1.00 25.00 N ATOM 934 CZ ARG A 61 27.688 -14.790 13.503 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.904 -14.257 14.405 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.901 -15.115 13.843 1.00 25.00 N ATOM 0 H ARG A 61 24.866 -13.427 7.507 1.00 25.00 H new ATOM 0 HA ARG A 61 24.620 -16.329 8.094 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.159 -13.877 9.853 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.762 -15.517 10.326 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.166 -16.151 10.122 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.557 -14.504 9.665 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.734 -13.667 11.831 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.209 -15.275 12.286 1.00 25.00 H new ATOM 0 HE ARG A 61 27.982 -15.414 11.614 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.950 -13.994 14.160 1.00 25.00 H new ATOM 0 HH12 ARG A 61 27.247 -14.105 15.353 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.529 -15.531 13.155 1.00 25.00 H new ATOM 0 HH22 ARG A 61 29.224 -14.954 14.797 1.00 25.00 H new ATOM 950 N LEU A 62 22.519 -14.559 6.751 1.00 25.00 N ATOM 951 CA LEU A 62 21.145 -14.291 6.337 1.00 25.00 C ATOM 952 C LEU A 62 20.855 -14.742 4.913 1.00 25.00 C ATOM 953 O LEU A 62 21.691 -14.631 4.029 1.00 25.00 O ATOM 954 CB LEU A 62 20.890 -12.786 6.435 1.00 25.00 C ATOM 955 CG LEU A 62 19.460 -12.359 6.767 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.018 -12.793 8.116 1.00 25.00 C ATOM 957 CD2 LEU A 62 19.331 -10.857 6.626 1.00 25.00 C ATOM 0 H LEU A 62 23.226 -14.195 6.112 1.00 25.00 H new ATOM 0 HA LEU A 62 20.489 -14.857 6.998 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.554 -12.376 7.196 1.00 25.00 H new ATOM 0 HB3 LEU A 62 21.171 -12.329 5.486 1.00 25.00 H new ATOM 0 HG LEU A 62 18.803 -12.859 6.055 1.00 25.00 H new ATOM 0 HD11 LEU A 62 17.995 -12.458 8.289 1.00 25.00 H new ATOM 0 HD12 LEU A 62 19.060 -13.880 8.180 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.674 -12.360 8.871 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.311 -10.556 6.863 1.00 25.00 H new ATOM 0 HD22 LEU A 62 20.023 -10.367 7.311 1.00 25.00 H new ATOM 0 HD23 LEU A 62 19.566 -10.566 5.602 1.00 25.00 H new ATOM 969 N LYS A 63 19.638 -15.215 4.688 1.00 25.00 N ATOM 970 CA LYS A 63 19.208 -15.613 3.343 1.00 25.00 C ATOM 971 C LYS A 63 18.009 -14.836 2.896 1.00 25.00 C ATOM 972 O LYS A 63 16.948 -14.915 3.500 1.00 25.00 O ATOM 973 CB LYS A 63 18.865 -17.105 3.255 1.00 25.00 C ATOM 974 CG LYS A 63 18.482 -17.523 1.822 1.00 25.00 C ATOM 975 CD LYS A 63 18.236 -19.014 1.649 1.00 25.00 C ATOM 976 CE LYS A 63 16.927 -19.441 2.270 1.00 25.00 C ATOM 977 NZ LYS A 63 16.375 -20.674 1.597 1.00 25.00 N ATOM 0 H LYS A 63 18.929 -15.335 5.411 1.00 25.00 H new ATOM 0 HA LYS A 63 20.057 -15.401 2.692 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.719 -17.694 3.589 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.040 -17.328 3.931 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.583 -16.982 1.526 1.00 25.00 H new ATOM 0 HG3 LYS A 63 19.277 -17.217 1.142 1.00 25.00 H new ATOM 0 HD2 LYS A 63 18.233 -19.261 0.587 1.00 25.00 H new ATOM 0 HD3 LYS A 63 19.054 -19.573 2.104 1.00 25.00 H new ATOM 0 HE2 LYS A 63 17.074 -19.639 3.332 1.00 25.00 H new ATOM 0 HE3 LYS A 63 16.204 -18.629 2.194 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 15.476 -20.942 2.046 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 16.213 -20.476 0.589 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 17.055 -21.455 1.691 1.00 25.00 H new ATOM 991 N ILE A 64 18.170 -14.137 1.791 1.00 25.00 N ATOM 992 CA ILE A 64 17.080 -13.400 1.179 1.00 25.00 C ATOM 993 C ILE A 64 16.063 -14.392 0.630 1.00 25.00 C ATOM 994 O ILE A 64 16.404 -15.283 -0.152 1.00 25.00 O ATOM 995 CB ILE A 64 17.613 -12.518 0.030 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.710 -11.569 0.546 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.493 -11.717 -0.604 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.292 -10.639 1.709 1.00 25.00 C ATOM 0 H ILE A 64 19.057 -14.063 1.292 1.00 25.00 H new ATOM 0 HA ILE A 64 16.612 -12.758 1.925 1.00 25.00 H new ATOM 0 HB ILE A 64 18.039 -13.175 -0.728 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.561 -12.168 0.870 1.00 25.00 H new ATOM 0 HG13 ILE A 64 19.053 -10.952 -0.285 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.895 -11.104 -1.411 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.741 -12.397 -1.005 1.00 25.00 H new ATOM 0 HG23 ILE A 64 16.036 -11.073 0.147 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.137 -10.013 1.996 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.464 -10.006 1.389 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.980 -11.241 2.562 1.00 25.00 H new ATOM 1010 N LEU A 65 14.819 -14.257 1.058 1.00 25.00 N ATOM 1011 CA LEU A 65 13.762 -15.167 0.641 1.00 25.00 C ATOM 1012 C LEU A 65 13.071 -14.626 -0.598 1.00 25.00 C ATOM 1013 O LEU A 65 11.998 -14.031 -0.529 1.00 25.00 O ATOM 1014 CB LEU A 65 12.747 -15.360 1.770 1.00 25.00 C ATOM 1015 CG LEU A 65 13.335 -15.838 3.105 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.208 -16.005 4.103 1.00 25.00 C ATOM 1017 CD2 LEU A 65 14.116 -17.144 2.963 1.00 25.00 C ATOM 0 H LEU A 65 14.514 -13.523 1.697 1.00 25.00 H new ATOM 0 HA LEU A 65 14.206 -16.134 0.406 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.230 -14.415 1.937 1.00 25.00 H new ATOM 0 HB3 LEU A 65 11.997 -16.080 1.443 1.00 25.00 H new ATOM 0 HG LEU A 65 14.043 -15.087 3.454 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.613 -16.345 5.056 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.702 -15.050 4.244 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.496 -16.741 3.729 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.511 -17.439 3.935 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.454 -17.925 2.588 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.940 -17.001 2.264 1.00 25.00 H new ATOM 1327 N PRO A 89 29.204 -18.699 10.539 1.00 25.00 N ATOM 1328 CA PRO A 89 30.365 -18.066 9.907 1.00 25.00 C ATOM 1329 C PRO A 89 30.620 -16.668 10.479 1.00 25.00 C ATOM 1330 O PRO A 89 29.761 -16.104 11.178 1.00 25.00 O ATOM 1331 CB PRO A 89 29.952 -18.011 8.436 1.00 25.00 C ATOM 1332 CG PRO A 89 28.491 -17.847 8.481 1.00 25.00 C ATOM 1333 CD PRO A 89 28.049 -18.723 9.622 1.00 25.00 C ATOM 0 HA PRO A 89 31.298 -18.604 10.071 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.431 -17.180 7.918 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.235 -18.922 7.908 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.213 -16.806 8.649 1.00 25.00 H new ATOM 0 HG3 PRO A 89 28.028 -18.153 7.543 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.149 -18.337 10.100 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.823 -19.735 9.287 1.00 25.00 H new ATOM 1341 N PRO A 90 31.802 -16.087 10.210 1.00 25.00 N ATOM 1342 CA PRO A 90 32.064 -14.773 10.809 1.00 25.00 C ATOM 1343 C PRO A 90 31.246 -13.641 10.188 1.00 25.00 C ATOM 1344 O PRO A 90 30.808 -13.722 9.038 1.00 25.00 O ATOM 1345 CB PRO A 90 33.561 -14.577 10.550 1.00 25.00 C ATOM 1346 CG PRO A 90 33.811 -15.319 9.292 1.00 25.00 C ATOM 1347 CD PRO A 90 32.945 -16.551 9.401 1.00 25.00 C ATOM 0 HA PRO A 90 31.782 -14.744 11.861 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.813 -13.521 10.447 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.162 -14.969 11.370 1.00 25.00 H new ATOM 0 HG2 PRO A 90 33.544 -14.722 8.420 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.864 -15.582 9.189 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.627 -16.908 8.421 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.473 -17.373 9.884 1.00 25.00 H new ATOM 1355 N LYS A 91 31.058 -12.577 10.956 1.00 25.00 N ATOM 1356 CA LYS A 91 30.391 -11.374 10.467 1.00 25.00 C ATOM 1357 C LYS A 91 31.479 -10.499 9.833 1.00 25.00 C ATOM 1358 O LYS A 91 32.648 -10.600 10.218 1.00 25.00 O ATOM 1359 CB LYS A 91 29.686 -10.628 11.624 1.00 25.00 C ATOM 1360 CG LYS A 91 30.580 -10.312 12.838 1.00 25.00 C ATOM 1361 CD LYS A 91 29.876 -9.424 13.887 1.00 25.00 C ATOM 1362 CE LYS A 91 28.691 -10.122 14.583 1.00 25.00 C ATOM 1363 NZ LYS A 91 28.121 -9.254 15.672 1.00 25.00 N ATOM 0 H LYS A 91 31.360 -12.521 11.929 1.00 25.00 H new ATOM 0 HA LYS A 91 29.619 -11.623 9.739 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.279 -9.693 11.239 1.00 25.00 H new ATOM 0 HB3 LYS A 91 28.841 -11.228 11.961 1.00 25.00 H new ATOM 0 HG2 LYS A 91 30.889 -11.246 13.308 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.486 -9.812 12.495 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.602 -9.119 14.641 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.519 -8.515 13.402 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.916 -10.349 13.851 1.00 25.00 H new ATOM 0 HE3 LYS A 91 29.020 -11.072 15.004 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 27.283 -9.715 16.081 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.836 -9.114 16.414 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.850 -8.332 15.275 1.00 25.00 H new ATOM 1377 N PRO A 92 31.123 -9.658 8.846 1.00 25.00 N ATOM 1378 CA PRO A 92 32.147 -8.761 8.297 1.00 25.00 C ATOM 1379 C PRO A 92 32.548 -7.708 9.345 1.00 25.00 C ATOM 1380 O PRO A 92 31.849 -7.533 10.347 1.00 25.00 O ATOM 1381 CB PRO A 92 31.450 -8.153 7.071 1.00 25.00 C ATOM 1382 CG PRO A 92 30.017 -8.204 7.389 1.00 25.00 C ATOM 1383 CD PRO A 92 29.809 -9.438 8.210 1.00 25.00 C ATOM 0 HA PRO A 92 33.082 -9.253 8.028 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.780 -7.129 6.896 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.675 -8.719 6.167 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.710 -7.315 7.940 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.418 -8.238 6.479 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.023 -9.298 8.952 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.516 -10.286 7.591 1.00 25.00 H new