USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 THR OG1 : rot 180:sc= 0.11 USER MOD Set 1.2: A 53 ASN : amide:sc= 0.746 K(o=0.86,f=-3.3!) USER MOD Set 2.1: A 44 ASN : amide:sc= 0.401 K(o=0.85,f=-0.36) USER MOD Set 2.2: A 68 TYR OH : rot 28:sc= 0.448 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot -13:sc= 0.206 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -176:sc= -0.262 (180deg=-0.306) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 15:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0603) USER MOD Single : A 35 MET CE :methyl -132:sc= 0 (180deg=-0.0493) USER MOD Single : A 36 CYS SG : rot 30:sc= -0.293 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 168:sc= 0 (180deg=-0.148) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 51 SER OG : rot 158:sc= 1.31 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.508 K(o=0.51,f=-0.45) USER MOD Single : A 59 SER OG : rot 76:sc= 0.584 USER MOD Single : A 60 ASN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 67 ASN : amide:sc= 1.84 K(o=1.8,f=-3.8!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 4 6.648 -2.354 -2.886 1.00 0.00 N ATOM 69 CA ILE A 4 5.570 -1.511 -3.445 1.00 0.00 C ATOM 70 C ILE A 4 5.355 -0.214 -2.640 1.00 0.00 C ATOM 71 O ILE A 4 5.051 0.831 -3.213 1.00 0.00 O ATOM 72 CB ILE A 4 4.283 -2.349 -3.625 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.133 -1.585 -4.312 1.00 0.00 C ATOM 74 CG2 ILE A 4 3.771 -2.906 -2.286 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.432 -1.132 -5.743 1.00 0.00 C ATOM 0 HA ILE A 4 5.876 -1.169 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 4 4.581 -3.167 -4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.248 -2.221 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.887 -0.709 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.866 -3.489 -2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.535 -3.544 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.549 -2.081 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.568 -0.604 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.295 -0.467 -5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.646 -2.003 -6.363 1.00 0.00 H new ATOM 87 N LYS A 5 5.621 -0.237 -1.332 1.00 0.00 N ATOM 88 CA LYS A 5 5.661 0.961 -0.480 1.00 0.00 C ATOM 89 C LYS A 5 6.839 1.865 -0.893 1.00 0.00 C ATOM 90 O LYS A 5 6.676 3.070 -1.090 1.00 0.00 O ATOM 91 CB LYS A 5 5.739 0.480 0.983 1.00 0.00 C ATOM 92 CG LYS A 5 5.254 1.457 2.062 1.00 0.00 C ATOM 93 CD LYS A 5 6.193 2.643 2.324 1.00 0.00 C ATOM 94 CE LYS A 5 5.757 3.341 3.620 1.00 0.00 C ATOM 95 NZ LYS A 5 6.626 4.496 3.963 1.00 0.00 N ATOM 0 H LYS A 5 5.818 -1.100 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 5 4.767 1.574 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.157 -0.437 1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.775 0.222 1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.277 1.842 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.116 0.908 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.223 2.297 2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.160 3.343 1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.727 3.683 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.773 2.622 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.291 4.933 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.605 4.168 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.592 5.196 3.195 1.00 0.00 H new ATOM 109 N ASN A 6 8.006 1.259 -1.129 1.00 0.00 N ATOM 110 CA ASN A 6 9.182 1.935 -1.682 1.00 0.00 C ATOM 111 C ASN A 6 8.967 2.418 -3.131 1.00 0.00 C ATOM 112 O ASN A 6 9.501 3.459 -3.506 1.00 0.00 O ATOM 113 CB ASN A 6 10.384 0.984 -1.590 1.00 0.00 C ATOM 114 CG ASN A 6 11.686 1.664 -2.011 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.098 2.667 -1.442 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.365 1.143 -3.019 1.00 0.00 N ATOM 0 H ASN A 6 8.162 0.269 -0.938 1.00 0.00 H new ATOM 0 HA ASN A 6 9.369 2.834 -1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.480 0.619 -0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.208 0.115 -2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.236 1.577 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.018 0.307 -3.490 1.00 0.00 H new ATOM 123 N PHE A 7 8.154 1.718 -3.935 1.00 0.00 N ATOM 124 CA PHE A 7 7.840 2.111 -5.313 1.00 0.00 C ATOM 125 C PHE A 7 7.026 3.407 -5.360 1.00 0.00 C ATOM 126 O PHE A 7 7.368 4.297 -6.136 1.00 0.00 O ATOM 127 CB PHE A 7 7.094 0.978 -6.026 1.00 0.00 C ATOM 128 CG PHE A 7 6.684 1.298 -7.449 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.610 1.166 -8.500 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.376 1.739 -7.721 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.224 1.466 -9.819 1.00 0.00 C ATOM 132 CE2 PHE A 7 4.991 2.039 -9.039 1.00 0.00 C ATOM 133 CZ PHE A 7 5.914 1.898 -10.090 1.00 0.00 C ATOM 0 H PHE A 7 7.693 0.856 -3.643 1.00 0.00 H new ATOM 0 HA PHE A 7 8.780 2.299 -5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.727 0.091 -6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.202 0.728 -5.451 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.617 0.834 -8.294 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.666 1.847 -6.915 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.936 1.364 -10.625 1.00 0.00 H new ATOM 0 HE2 PHE A 7 3.986 2.378 -9.244 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.617 2.121 -11.104 1.00 0.00 H new ATOM 143 N LEU A 8 6.001 3.549 -4.507 1.00 0.00 N ATOM 144 CA LEU A 8 5.241 4.798 -4.401 1.00 0.00 C ATOM 145 C LEU A 8 6.132 5.952 -3.925 1.00 0.00 C ATOM 146 O LEU A 8 6.085 7.045 -4.490 1.00 0.00 O ATOM 147 CB LEU A 8 4.030 4.584 -3.472 1.00 0.00 C ATOM 148 CG LEU A 8 3.101 5.812 -3.343 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.620 6.359 -4.697 1.00 0.00 C ATOM 150 CD2 LEU A 8 1.875 5.438 -2.498 1.00 0.00 C ATOM 0 H LEU A 8 5.681 2.811 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 8 4.873 5.078 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.448 3.740 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.392 4.311 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 8 3.688 6.597 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.972 7.220 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.481 6.661 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.066 5.584 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.219 6.303 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.335 4.623 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.199 5.122 -1.507 1.00 0.00 H new ATOM 162 N TYR A 9 6.991 5.701 -2.933 1.00 0.00 N ATOM 163 CA TYR A 9 7.933 6.698 -2.420 1.00 0.00 C ATOM 164 C TYR A 9 8.957 7.153 -3.481 1.00 0.00 C ATOM 165 O TYR A 9 9.204 8.351 -3.631 1.00 0.00 O ATOM 166 CB TYR A 9 8.621 6.132 -1.171 1.00 0.00 C ATOM 167 CG TYR A 9 9.458 7.150 -0.422 1.00 0.00 C ATOM 168 CD1 TYR A 9 8.865 7.950 0.574 1.00 0.00 C ATOM 169 CD2 TYR A 9 10.825 7.308 -0.727 1.00 0.00 C ATOM 170 CE1 TYR A 9 9.629 8.914 1.259 1.00 0.00 C ATOM 171 CE2 TYR A 9 11.595 8.271 -0.046 1.00 0.00 C ATOM 172 CZ TYR A 9 10.999 9.079 0.949 1.00 0.00 C ATOM 173 OH TYR A 9 11.736 10.013 1.613 1.00 0.00 O ATOM 0 H TYR A 9 7.052 4.798 -2.462 1.00 0.00 H new ATOM 0 HA TYR A 9 7.375 7.596 -2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.862 5.733 -0.498 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.257 5.297 -1.464 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.819 7.823 0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.283 6.689 -1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.169 9.527 2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.641 8.392 -0.284 1.00 0.00 H new ATOM 0 HH TYR A 9 12.658 9.998 1.282 1.00 0.00 H new ATOM 183 N ALA A 10 9.509 6.215 -4.258 1.00 0.00 N ATOM 184 CA ALA A 10 10.438 6.495 -5.355 1.00 0.00 C ATOM 185 C ALA A 10 9.758 7.222 -6.529 1.00 0.00 C ATOM 186 O ALA A 10 10.321 8.176 -7.063 1.00 0.00 O ATOM 187 CB ALA A 10 11.076 5.172 -5.801 1.00 0.00 C ATOM 0 H ALA A 10 9.318 5.220 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 10 11.212 7.175 -4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.772 5.361 -6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.613 4.726 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.297 4.488 -6.138 1.00 0.00 H new ATOM 193 N TRP A 11 8.531 6.833 -6.890 1.00 0.00 N ATOM 194 CA TRP A 11 7.717 7.507 -7.906 1.00 0.00 C ATOM 195 C TRP A 11 7.442 8.969 -7.528 1.00 0.00 C ATOM 196 O TRP A 11 7.648 9.871 -8.340 1.00 0.00 O ATOM 197 CB TRP A 11 6.411 6.726 -8.087 1.00 0.00 C ATOM 198 CG TRP A 11 5.431 7.352 -9.029 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.348 7.140 -10.363 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.371 8.303 -8.713 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.328 7.907 -10.894 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.699 8.653 -9.919 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.903 8.897 -7.522 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.636 9.566 -9.940 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.829 9.804 -7.529 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.199 10.143 -8.738 1.00 0.00 C ATOM 0 H TRP A 11 8.067 6.025 -6.476 1.00 0.00 H new ATOM 0 HA TRP A 11 8.264 7.526 -8.849 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.650 5.725 -8.446 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.935 6.611 -7.113 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.983 6.473 -10.927 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.073 7.920 -11.881 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.380 8.650 -6.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.157 9.823 -10.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.487 10.241 -6.603 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.380 10.847 -8.742 1.00 0.00 H new ATOM 217 N CYS A 12 7.057 9.212 -6.271 1.00 0.00 N ATOM 218 CA CYS A 12 6.919 10.562 -5.710 1.00 0.00 C ATOM 219 C CYS A 12 8.239 11.354 -5.794 1.00 0.00 C ATOM 220 O CYS A 12 8.237 12.502 -6.241 1.00 0.00 O ATOM 221 CB CYS A 12 6.442 10.454 -4.256 1.00 0.00 C ATOM 222 SG CYS A 12 4.718 9.898 -4.149 1.00 0.00 S ATOM 0 H CYS A 12 6.830 8.471 -5.608 1.00 0.00 H new ATOM 0 HA CYS A 12 6.183 11.110 -6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.082 9.758 -3.715 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.542 11.424 -3.768 1.00 0.00 H new ATOM 0 HG CYS A 12 4.166 9.968 -5.324 1.00 0.00 H new ATOM 228 N GLY A 13 9.368 10.729 -5.442 1.00 0.00 N ATOM 229 CA GLY A 13 10.699 11.354 -5.441 1.00 0.00 C ATOM 230 C GLY A 13 11.220 11.722 -6.835 1.00 0.00 C ATOM 231 O GLY A 13 11.958 12.696 -6.969 1.00 0.00 O ATOM 0 H GLY A 13 9.384 9.754 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.665 12.255 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.407 10.674 -4.968 1.00 0.00 H new ATOM 235 N LYS A 14 10.781 11.019 -7.887 1.00 0.00 N ATOM 236 CA LYS A 14 11.074 11.361 -9.292 1.00 0.00 C ATOM 237 C LYS A 14 10.186 12.505 -9.830 1.00 0.00 C ATOM 238 O LYS A 14 10.423 13.008 -10.931 1.00 0.00 O ATOM 239 CB LYS A 14 10.947 10.089 -10.158 1.00 0.00 C ATOM 240 CG LYS A 14 12.052 9.040 -9.926 1.00 0.00 C ATOM 241 CD LYS A 14 13.480 9.487 -10.292 1.00 0.00 C ATOM 242 CE LYS A 14 13.657 9.958 -11.746 1.00 0.00 C ATOM 243 NZ LYS A 14 13.460 8.861 -12.732 1.00 0.00 N ATOM 0 H LYS A 14 10.204 10.184 -7.789 1.00 0.00 H new ATOM 0 HA LYS A 14 12.096 11.737 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.979 9.627 -9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.955 10.379 -11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.039 8.751 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.810 8.149 -10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.774 10.297 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.163 8.658 -10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.948 10.759 -11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.656 10.377 -11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.590 9.232 -13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.153 8.106 -12.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.498 8.477 -12.636 1.00 0.00 H new ATOM 257 N ARG A 15 9.191 12.929 -9.040 1.00 0.00 N ATOM 258 CA ARG A 15 8.206 13.978 -9.342 1.00 0.00 C ATOM 259 C ARG A 15 8.260 15.154 -8.342 1.00 0.00 C ATOM 260 O ARG A 15 7.378 16.012 -8.358 1.00 0.00 O ATOM 261 CB ARG A 15 6.807 13.333 -9.377 1.00 0.00 C ATOM 262 CG ARG A 15 6.662 12.253 -10.465 1.00 0.00 C ATOM 263 CD ARG A 15 5.274 11.605 -10.468 1.00 0.00 C ATOM 264 NE ARG A 15 4.215 12.554 -10.865 1.00 0.00 N ATOM 265 CZ ARG A 15 3.360 12.427 -11.875 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.378 11.426 -12.725 1.00 0.00 N ATOM 267 NH2 ARG A 15 2.425 13.324 -12.074 1.00 0.00 N ATOM 0 H ARG A 15 9.042 12.524 -8.116 1.00 0.00 H new ATOM 0 HA ARG A 15 8.444 14.412 -10.313 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.594 12.890 -8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.060 14.110 -9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.854 12.698 -11.441 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.418 11.483 -10.311 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.273 10.756 -11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.055 11.214 -9.474 1.00 0.00 H new ATOM 0 HE ARG A 15 4.130 13.400 -10.302 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.076 10.689 -12.630 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.694 11.386 -13.480 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.349 14.128 -11.451 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.774 13.218 -12.852 1.00 0.00 H new ATOM 281 N LYS A 16 9.269 15.191 -7.456 1.00 0.00 N ATOM 282 CA LYS A 16 9.481 16.215 -6.408 1.00 0.00 C ATOM 283 C LYS A 16 8.365 16.238 -5.331 1.00 0.00 C ATOM 284 O LYS A 16 8.047 17.288 -4.763 1.00 0.00 O ATOM 285 CB LYS A 16 9.770 17.600 -7.035 1.00 0.00 C ATOM 286 CG LYS A 16 10.978 17.593 -7.988 1.00 0.00 C ATOM 287 CD LYS A 16 11.280 19.013 -8.493 1.00 0.00 C ATOM 288 CE LYS A 16 12.532 19.071 -9.383 1.00 0.00 C ATOM 289 NZ LYS A 16 12.334 18.409 -10.702 1.00 0.00 N ATOM 0 H LYS A 16 9.996 14.476 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 16 10.375 15.927 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.888 17.937 -7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.948 18.322 -6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.851 17.191 -7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.776 16.936 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.423 19.385 -9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.415 19.677 -7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.811 20.113 -9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.364 18.595 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.209 18.478 -11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.095 17.407 -10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.559 18.878 -11.213 1.00 0.00 H new ATOM 303 N MET A 17 7.762 15.076 -5.049 1.00 0.00 N ATOM 304 CA MET A 17 6.689 14.857 -4.064 1.00 0.00 C ATOM 305 C MET A 17 7.131 13.887 -2.953 1.00 0.00 C ATOM 306 O MET A 17 8.170 13.230 -3.064 1.00 0.00 O ATOM 307 CB MET A 17 5.445 14.298 -4.783 1.00 0.00 C ATOM 308 CG MET A 17 4.890 15.260 -5.838 1.00 0.00 C ATOM 309 SD MET A 17 3.275 14.803 -6.521 1.00 0.00 S ATOM 310 CE MET A 17 3.638 13.151 -7.168 1.00 0.00 C ATOM 0 H MET A 17 8.023 14.214 -5.528 1.00 0.00 H new ATOM 0 HA MET A 17 6.453 15.813 -3.596 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.700 13.351 -5.259 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.670 14.086 -4.047 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.812 16.254 -5.396 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.607 15.330 -6.656 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.761 12.762 -7.685 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.474 13.209 -7.865 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.898 12.487 -6.344 1.00 0.00 H new ATOM 320 N THR A 18 6.294 13.750 -1.914 1.00 0.00 N ATOM 321 CA THR A 18 6.426 12.780 -0.809 1.00 0.00 C ATOM 322 C THR A 18 5.030 12.238 -0.460 1.00 0.00 C ATOM 323 O THR A 18 4.121 13.058 -0.295 1.00 0.00 O ATOM 324 CB THR A 18 7.062 13.442 0.427 1.00 0.00 C ATOM 325 OG1 THR A 18 8.304 14.020 0.085 1.00 0.00 O ATOM 326 CG2 THR A 18 7.348 12.433 1.542 1.00 0.00 C ATOM 0 H THR A 18 5.467 14.338 -1.814 1.00 0.00 H new ATOM 0 HA THR A 18 7.076 11.963 -1.122 1.00 0.00 H new ATOM 0 HB THR A 18 6.346 14.187 0.774 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.699 14.440 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.796 12.947 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.416 11.961 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.036 11.671 1.175 1.00 0.00 H new ATOM 334 N PRO A 19 4.825 10.908 -0.349 1.00 0.00 N ATOM 335 CA PRO A 19 3.538 10.325 0.028 1.00 0.00 C ATOM 336 C PRO A 19 3.299 10.453 1.538 1.00 0.00 C ATOM 337 O PRO A 19 4.242 10.444 2.332 1.00 0.00 O ATOM 338 CB PRO A 19 3.617 8.861 -0.413 1.00 0.00 C ATOM 339 CG PRO A 19 5.099 8.535 -0.244 1.00 0.00 C ATOM 340 CD PRO A 19 5.799 9.850 -0.591 1.00 0.00 C ATOM 0 HA PRO A 19 2.700 10.837 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.989 8.218 0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.290 8.731 -1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.326 8.217 0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.410 7.728 -0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.688 9.992 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.127 9.854 -1.631 1.00 0.00 H new ATOM 348 N ALA A 20 2.027 10.547 1.935 1.00 0.00 N ATOM 349 CA ALA A 20 1.600 10.703 3.327 1.00 0.00 C ATOM 350 C ALA A 20 0.694 9.540 3.760 1.00 0.00 C ATOM 351 O ALA A 20 -0.411 9.376 3.240 1.00 0.00 O ATOM 352 CB ALA A 20 0.902 12.060 3.474 1.00 0.00 C ATOM 0 H ALA A 20 1.246 10.516 1.280 1.00 0.00 H new ATOM 0 HA ALA A 20 2.467 10.678 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.577 12.192 4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.596 12.857 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.036 12.097 2.814 1.00 0.00 H new ATOM 358 N TYR A 21 1.169 8.751 4.726 1.00 0.00 N ATOM 359 CA TYR A 21 0.501 7.552 5.253 1.00 0.00 C ATOM 360 C TYR A 21 -0.223 7.813 6.592 1.00 0.00 C ATOM 361 O TYR A 21 0.130 8.729 7.341 1.00 0.00 O ATOM 362 CB TYR A 21 1.534 6.422 5.433 1.00 0.00 C ATOM 363 CG TYR A 21 2.137 5.866 4.154 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.240 6.503 3.551 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.613 4.691 3.576 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.795 5.987 2.366 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.167 4.165 2.394 1.00 0.00 C ATOM 368 CZ TYR A 21 3.254 4.825 1.776 1.00 0.00 C ATOM 369 OH TYR A 21 3.784 4.353 0.615 1.00 0.00 O ATOM 0 H TYR A 21 2.063 8.934 5.182 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.259 7.260 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.343 6.792 6.063 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.058 5.604 5.974 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.661 7.390 4.000 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.779 4.190 4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.638 6.482 1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.764 3.261 1.961 1.00 0.00 H new ATOM 0 HH TYR A 21 4.654 4.775 0.457 1.00 0.00 H new ATOM 379 N GLU A 22 -1.200 6.965 6.920 1.00 0.00 N ATOM 380 CA GLU A 22 -1.925 6.937 8.197 1.00 0.00 C ATOM 381 C GLU A 22 -2.314 5.489 8.537 1.00 0.00 C ATOM 382 O GLU A 22 -2.582 4.696 7.635 1.00 0.00 O ATOM 383 CB GLU A 22 -3.142 7.872 8.108 1.00 0.00 C ATOM 384 CG GLU A 22 -3.929 7.977 9.423 1.00 0.00 C ATOM 385 CD GLU A 22 -4.950 9.128 9.408 1.00 0.00 C ATOM 386 OE1 GLU A 22 -5.523 9.429 8.334 1.00 0.00 O ATOM 387 OE2 GLU A 22 -5.181 9.742 10.476 1.00 0.00 O ATOM 0 H GLU A 22 -1.524 6.245 6.274 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.292 7.298 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.806 8.866 7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.808 7.515 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.449 7.037 9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.233 8.124 10.249 1.00 0.00 H new ATOM 394 N ILE A 23 -2.311 5.119 9.824 1.00 0.00 N ATOM 395 CA ILE A 23 -2.444 3.728 10.314 1.00 0.00 C ATOM 396 C ILE A 23 -3.424 3.656 11.501 1.00 0.00 C ATOM 397 O ILE A 23 -3.490 4.585 12.312 1.00 0.00 O ATOM 398 CB ILE A 23 -1.038 3.162 10.674 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.147 3.080 9.409 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.111 1.780 11.362 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.272 2.551 9.647 1.00 0.00 C ATOM 0 H ILE A 23 -2.213 5.795 10.582 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.864 3.105 9.524 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.593 3.855 11.389 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.639 2.439 8.678 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.078 4.074 8.967 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.103 1.434 11.590 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.684 1.863 12.285 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.597 1.067 10.696 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.816 2.531 8.703 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.790 3.203 10.351 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.220 1.542 10.057 1.00 0.00 H new ATOM 413 N ARG A 24 -4.155 2.537 11.617 1.00 0.00 N ATOM 414 CA ARG A 24 -5.088 2.217 12.711 1.00 0.00 C ATOM 415 C ARG A 24 -4.936 0.755 13.145 1.00 0.00 C ATOM 416 O ARG A 24 -4.850 -0.136 12.303 1.00 0.00 O ATOM 417 CB ARG A 24 -6.526 2.493 12.239 1.00 0.00 C ATOM 418 CG ARG A 24 -7.561 2.377 13.372 1.00 0.00 C ATOM 419 CD ARG A 24 -8.968 2.806 12.934 1.00 0.00 C ATOM 420 NE ARG A 24 -9.549 1.897 11.927 1.00 0.00 N ATOM 421 CZ ARG A 24 -10.713 2.064 11.307 1.00 0.00 C ATOM 422 NH1 ARG A 24 -11.491 3.100 11.550 1.00 0.00 N ATOM 423 NH2 ARG A 24 -11.120 1.180 10.424 1.00 0.00 N ATOM 0 H ARG A 24 -4.110 1.795 10.918 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.861 2.844 13.573 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.576 3.493 11.809 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.783 1.792 11.445 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.593 1.346 13.725 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.243 2.993 14.214 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.621 2.842 13.806 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.926 3.816 12.526 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.009 1.066 11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.206 3.803 12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.378 3.198 11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.543 0.366 10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.013 1.308 9.948 1.00 0.00 H new ATOM 561 N LYS A 33 -4.119 -6.687 14.514 1.00 0.00 N ATOM 562 CA LYS A 33 -4.005 -6.361 13.088 1.00 0.00 C ATOM 563 C LYS A 33 -3.980 -4.838 12.867 1.00 0.00 C ATOM 564 O LYS A 33 -4.335 -4.060 13.761 1.00 0.00 O ATOM 565 CB LYS A 33 -5.196 -7.007 12.353 1.00 0.00 C ATOM 566 CG LYS A 33 -5.127 -8.542 12.363 1.00 0.00 C ATOM 567 CD LYS A 33 -6.350 -9.173 11.685 1.00 0.00 C ATOM 568 CE LYS A 33 -6.366 -10.698 11.874 1.00 0.00 C ATOM 569 NZ LYS A 33 -6.672 -11.094 13.279 1.00 0.00 N ATOM 0 HA LYS A 33 -3.068 -6.752 12.693 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.126 -6.685 12.821 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.218 -6.654 11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.220 -8.868 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.059 -8.896 13.392 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.261 -8.743 12.100 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.342 -8.936 10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.108 -11.136 11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.397 -11.107 11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.822 -12.122 13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.876 -10.832 13.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.532 -10.604 13.598 1.00 0.00 H new ATOM 583 N PHE A 34 -3.598 -4.402 11.665 1.00 0.00 N ATOM 584 CA PHE A 34 -3.434 -2.995 11.301 1.00 0.00 C ATOM 585 C PHE A 34 -4.059 -2.691 9.938 1.00 0.00 C ATOM 586 O PHE A 34 -3.895 -3.448 8.982 1.00 0.00 O ATOM 587 CB PHE A 34 -1.941 -2.630 11.319 1.00 0.00 C ATOM 588 CG PHE A 34 -1.300 -2.775 12.685 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.416 -1.742 13.634 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.630 -3.966 13.025 1.00 0.00 C ATOM 591 CE1 PHE A 34 -0.865 -1.903 14.918 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.076 -4.123 14.308 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.195 -3.092 15.255 1.00 0.00 C ATOM 0 H PHE A 34 -3.388 -5.038 10.896 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.959 -2.383 12.035 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.411 -3.265 10.609 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.822 -1.602 10.978 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.928 -0.826 13.376 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.541 -4.761 12.299 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.957 -1.111 15.647 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.441 -5.036 14.565 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.228 -3.213 16.241 1.00 0.00 H new ATOM 603 N MET A 35 -4.747 -1.553 9.857 1.00 0.00 N ATOM 604 CA MET A 35 -5.253 -0.933 8.628 1.00 0.00 C ATOM 605 C MET A 35 -4.410 0.299 8.297 1.00 0.00 C ATOM 606 O MET A 35 -3.828 0.912 9.195 1.00 0.00 O ATOM 607 CB MET A 35 -6.728 -0.525 8.779 1.00 0.00 C ATOM 608 CG MET A 35 -7.603 -1.657 9.324 1.00 0.00 C ATOM 609 SD MET A 35 -9.386 -1.381 9.186 1.00 0.00 S ATOM 610 CE MET A 35 -9.604 -1.698 7.418 1.00 0.00 C ATOM 0 H MET A 35 -4.980 -1.009 10.688 1.00 0.00 H new ATOM 0 HA MET A 35 -5.182 -1.661 7.820 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.796 0.334 9.446 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.114 -0.208 7.810 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.351 -2.577 8.796 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.355 -1.814 10.374 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.195 -0.897 6.975 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.629 -1.741 6.933 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.120 -2.648 7.280 1.00 0.00 H new ATOM 620 N CYS A 36 -4.363 0.686 7.025 1.00 0.00 N ATOM 621 CA CYS A 36 -3.552 1.798 6.542 1.00 0.00 C ATOM 622 C CYS A 36 -4.216 2.527 5.364 1.00 0.00 C ATOM 623 O CYS A 36 -4.918 1.915 4.559 1.00 0.00 O ATOM 624 CB CYS A 36 -2.160 1.247 6.199 1.00 0.00 C ATOM 625 SG CYS A 36 -1.042 2.599 5.738 1.00 0.00 S ATOM 0 H CYS A 36 -4.898 0.226 6.288 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.456 2.558 7.317 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.755 0.707 7.055 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.236 0.534 5.378 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.393 3.684 6.361 1.00 0.00 H new ATOM 631 N GLU A 37 -3.960 3.828 5.265 1.00 0.00 N ATOM 632 CA GLU A 37 -4.326 4.701 4.153 1.00 0.00 C ATOM 633 C GLU A 37 -3.093 5.492 3.687 1.00 0.00 C ATOM 634 O GLU A 37 -2.213 5.794 4.495 1.00 0.00 O ATOM 635 CB GLU A 37 -5.425 5.687 4.577 1.00 0.00 C ATOM 636 CG GLU A 37 -6.790 5.021 4.794 1.00 0.00 C ATOM 637 CD GLU A 37 -7.862 6.048 5.191 1.00 0.00 C ATOM 638 OE1 GLU A 37 -7.987 7.093 4.509 1.00 0.00 O ATOM 639 OE2 GLU A 37 -8.580 5.821 6.192 1.00 0.00 O ATOM 0 H GLU A 37 -3.463 4.331 6.001 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.700 4.081 3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.121 6.184 5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.523 6.460 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.095 4.509 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.706 4.262 5.572 1.00 0.00 H new ATOM 646 N VAL A 38 -3.050 5.867 2.406 1.00 0.00 N ATOM 647 CA VAL A 38 -1.996 6.709 1.814 1.00 0.00 C ATOM 648 C VAL A 38 -2.568 7.690 0.787 1.00 0.00 C ATOM 649 O VAL A 38 -3.494 7.358 0.046 1.00 0.00 O ATOM 650 CB VAL A 38 -0.845 5.865 1.218 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.253 5.097 -0.046 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.388 6.728 0.892 1.00 0.00 C ATOM 0 H VAL A 38 -3.763 5.589 1.731 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.569 7.299 2.625 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.595 5.142 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.402 4.525 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.072 4.418 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.575 5.802 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.174 6.098 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.114 7.494 0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.750 7.204 1.803 1.00 0.00 H new ATOM 662 N ARG A 39 -2.004 8.901 0.769 1.00 0.00 N ATOM 663 CA ARG A 39 -2.395 10.028 -0.087 1.00 0.00 C ATOM 664 C ARG A 39 -1.148 10.739 -0.642 1.00 0.00 C ATOM 665 O ARG A 39 -0.053 10.601 -0.093 1.00 0.00 O ATOM 666 CB ARG A 39 -3.272 11.033 0.696 1.00 0.00 C ATOM 667 CG ARG A 39 -4.437 10.435 1.511 1.00 0.00 C ATOM 668 CD ARG A 39 -4.036 10.118 2.961 1.00 0.00 C ATOM 669 NE ARG A 39 -5.154 9.543 3.731 1.00 0.00 N ATOM 670 CZ ARG A 39 -5.282 9.576 5.052 1.00 0.00 C ATOM 671 NH1 ARG A 39 -4.424 10.181 5.843 1.00 0.00 N ATOM 672 NH2 ARG A 39 -6.288 8.992 5.651 1.00 0.00 N ATOM 0 H ARG A 39 -1.223 9.135 1.382 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.978 9.635 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.629 11.590 1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.684 11.752 -0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.273 11.135 1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.786 9.523 1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.199 9.420 2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.691 11.029 3.449 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.893 9.080 3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.612 10.655 5.447 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.570 10.176 6.852 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.992 8.500 5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.368 9.029 6.667 1.00 0.00 H new ATOM 686 N VAL A 40 -1.319 11.532 -1.700 1.00 0.00 N ATOM 687 CA VAL A 40 -0.274 12.367 -2.328 1.00 0.00 C ATOM 688 C VAL A 40 -0.891 13.721 -2.701 1.00 0.00 C ATOM 689 O VAL A 40 -2.017 13.771 -3.199 1.00 0.00 O ATOM 690 CB VAL A 40 0.344 11.684 -3.576 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.469 12.533 -4.191 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.935 10.297 -3.259 1.00 0.00 C ATOM 0 H VAL A 40 -2.221 11.619 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 40 0.539 12.507 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.482 11.578 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.876 12.021 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.070 13.502 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.259 12.679 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.354 9.864 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.720 10.399 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.150 9.646 -2.875 1.00 0.00 H new ATOM 702 N GLU A 41 -0.172 14.813 -2.430 1.00 0.00 N ATOM 703 CA GLU A 41 -0.633 16.185 -2.671 1.00 0.00 C ATOM 704 C GLU A 41 -0.930 16.435 -4.164 1.00 0.00 C ATOM 705 O GLU A 41 -0.104 16.147 -5.032 1.00 0.00 O ATOM 706 CB GLU A 41 0.412 17.175 -2.129 1.00 0.00 C ATOM 707 CG GLU A 41 -0.075 18.630 -2.177 1.00 0.00 C ATOM 708 CD GLU A 41 0.947 19.576 -1.527 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.857 19.822 -0.301 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.842 20.089 -2.241 1.00 0.00 O ATOM 0 H GLU A 41 0.765 14.769 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.573 16.337 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.658 16.911 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.330 17.083 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.243 18.927 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.032 18.714 -1.662 1.00 0.00 H new ATOM 717 N GLY A 42 -2.121 16.975 -4.455 1.00 0.00 N ATOM 718 CA GLY A 42 -2.593 17.275 -5.816 1.00 0.00 C ATOM 719 C GLY A 42 -3.443 16.171 -6.461 1.00 0.00 C ATOM 720 O GLY A 42 -3.906 16.356 -7.587 1.00 0.00 O ATOM 0 H GLY A 42 -2.800 17.222 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.178 18.195 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.728 17.466 -6.451 1.00 0.00 H new ATOM 724 N PHE A 43 -3.680 15.053 -5.760 1.00 0.00 N ATOM 725 CA PHE A 43 -4.504 13.927 -6.218 1.00 0.00 C ATOM 726 C PHE A 43 -5.768 13.783 -5.354 1.00 0.00 C ATOM 727 O PHE A 43 -5.728 13.957 -4.134 1.00 0.00 O ATOM 728 CB PHE A 43 -3.658 12.644 -6.216 1.00 0.00 C ATOM 729 CG PHE A 43 -2.494 12.691 -7.191 1.00 0.00 C ATOM 730 CD1 PHE A 43 -1.256 13.219 -6.783 1.00 0.00 C ATOM 731 CD2 PHE A 43 -2.661 12.264 -8.523 1.00 0.00 C ATOM 732 CE1 PHE A 43 -0.199 13.333 -7.700 1.00 0.00 C ATOM 733 CE2 PHE A 43 -1.599 12.369 -9.439 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.368 12.909 -9.029 1.00 0.00 C ATOM 0 H PHE A 43 -3.291 14.904 -4.829 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.841 14.115 -7.237 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.274 12.472 -5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.296 11.796 -6.463 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.118 13.538 -5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.608 11.854 -8.842 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.747 13.748 -7.383 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.729 12.035 -10.458 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.446 12.998 -9.733 1.00 0.00 H new ATOM 744 N ASN A 44 -6.898 13.467 -5.995 1.00 0.00 N ATOM 745 CA ASN A 44 -8.230 13.442 -5.369 1.00 0.00 C ATOM 746 C ASN A 44 -8.570 12.131 -4.620 1.00 0.00 C ATOM 747 O ASN A 44 -9.667 11.999 -4.071 1.00 0.00 O ATOM 748 CB ASN A 44 -9.288 13.760 -6.442 1.00 0.00 C ATOM 749 CG ASN A 44 -9.462 12.633 -7.459 1.00 0.00 C ATOM 750 OD1 ASN A 44 -8.689 12.493 -8.399 1.00 0.00 O ATOM 751 ND2 ASN A 44 -10.471 11.794 -7.299 1.00 0.00 N ATOM 0 H ASN A 44 -6.916 13.216 -6.983 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.228 14.204 -4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.244 13.954 -5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.005 14.674 -6.965 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.607 11.028 -7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.113 11.912 -6.516 1.00 0.00 H new ATOM 758 N TYR A 45 -7.657 11.156 -4.613 1.00 0.00 N ATOM 759 CA TYR A 45 -7.866 9.791 -4.118 1.00 0.00 C ATOM 760 C TYR A 45 -7.045 9.471 -2.852 1.00 0.00 C ATOM 761 O TYR A 45 -6.036 10.119 -2.561 1.00 0.00 O ATOM 762 CB TYR A 45 -7.526 8.831 -5.267 1.00 0.00 C ATOM 763 CG TYR A 45 -7.865 7.374 -5.020 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.207 6.953 -5.066 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.845 6.440 -4.754 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.532 5.599 -4.858 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.162 5.083 -4.548 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.508 4.658 -4.605 1.00 0.00 C ATOM 769 OH TYR A 45 -8.814 3.342 -4.433 1.00 0.00 O ATOM 0 H TYR A 45 -6.712 11.302 -4.967 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.906 9.678 -3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.053 9.162 -6.162 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.459 8.907 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.990 7.671 -5.261 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.816 6.765 -4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.563 5.279 -4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.377 4.369 -4.347 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.992 2.834 -4.269 1.00 0.00 H new ATOM 779 N ALA A 46 -7.466 8.436 -2.119 1.00 0.00 N ATOM 780 CA ALA A 46 -6.734 7.841 -1.003 1.00 0.00 C ATOM 781 C ALA A 46 -6.772 6.307 -1.126 1.00 0.00 C ATOM 782 O ALA A 46 -7.845 5.701 -1.068 1.00 0.00 O ATOM 783 CB ALA A 46 -7.348 8.338 0.313 1.00 0.00 C ATOM 0 H ALA A 46 -8.359 7.975 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.686 8.142 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.810 7.900 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.275 9.424 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.396 8.043 0.360 1.00 0.00 H new ATOM 789 N GLY A 47 -5.599 5.690 -1.303 1.00 0.00 N ATOM 790 CA GLY A 47 -5.439 4.234 -1.383 1.00 0.00 C ATOM 791 C GLY A 47 -5.346 3.631 0.012 1.00 0.00 C ATOM 792 O GLY A 47 -4.856 4.288 0.933 1.00 0.00 O ATOM 0 H GLY A 47 -4.719 6.197 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.282 3.798 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.541 3.991 -1.951 1.00 0.00 H new ATOM 796 N MET A 48 -5.805 2.389 0.177 1.00 0.00 N ATOM 797 CA MET A 48 -5.992 1.756 1.485 1.00 0.00 C ATOM 798 C MET A 48 -5.735 0.244 1.489 1.00 0.00 C ATOM 799 O MET A 48 -5.909 -0.442 0.480 1.00 0.00 O ATOM 800 CB MET A 48 -7.392 2.103 2.012 1.00 0.00 C ATOM 801 CG MET A 48 -8.536 1.582 1.129 1.00 0.00 C ATOM 802 SD MET A 48 -10.197 2.046 1.688 1.00 0.00 S ATOM 803 CE MET A 48 -10.170 3.818 1.310 1.00 0.00 C ATOM 0 H MET A 48 -6.061 1.786 -0.605 1.00 0.00 H new ATOM 0 HA MET A 48 -5.234 2.159 2.157 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.504 1.692 3.015 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.478 3.186 2.100 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.392 1.954 0.115 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.474 0.495 1.082 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.179 4.223 1.390 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.516 4.331 2.016 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.798 3.968 0.296 1.00 0.00 H new ATOM 813 N GLY A 49 -5.292 -0.266 2.641 1.00 0.00 N ATOM 814 CA GLY A 49 -4.910 -1.664 2.864 1.00 0.00 C ATOM 815 C GLY A 49 -5.022 -2.100 4.322 1.00 0.00 C ATOM 816 O GLY A 49 -5.301 -1.288 5.203 1.00 0.00 O ATOM 0 H GLY A 49 -5.185 0.307 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.541 -2.307 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.884 -1.810 2.527 1.00 0.00 H new ATOM 820 N ASN A 50 -4.789 -3.388 4.582 1.00 0.00 N ATOM 821 CA ASN A 50 -4.763 -3.969 5.929 1.00 0.00 C ATOM 822 C ASN A 50 -3.987 -5.298 5.980 1.00 0.00 C ATOM 823 O ASN A 50 -3.884 -5.999 4.971 1.00 0.00 O ATOM 824 CB ASN A 50 -6.190 -4.115 6.494 1.00 0.00 C ATOM 825 CG ASN A 50 -7.022 -5.168 5.766 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.965 -6.353 6.075 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.824 -4.771 4.792 1.00 0.00 N ATOM 0 H ASN A 50 -4.609 -4.072 3.847 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.220 -3.275 6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.130 -4.376 7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.698 -3.153 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.398 -5.452 4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.868 -3.784 4.538 1.00 0.00 H new ATOM 834 N SER A 51 -3.443 -5.646 7.147 1.00 0.00 N ATOM 835 CA SER A 51 -2.653 -6.867 7.383 1.00 0.00 C ATOM 836 C SER A 51 -2.418 -7.123 8.888 1.00 0.00 C ATOM 837 O SER A 51 -2.942 -6.402 9.741 1.00 0.00 O ATOM 838 CB SER A 51 -1.318 -6.778 6.622 1.00 0.00 C ATOM 839 OG SER A 51 -0.741 -8.066 6.488 1.00 0.00 O ATOM 0 H SER A 51 -3.540 -5.071 7.984 1.00 0.00 H new ATOM 0 HA SER A 51 -3.223 -7.717 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.482 -6.341 5.637 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.632 -6.118 7.153 1.00 0.00 H new ATOM 0 HG SER A 51 -0.109 -8.065 5.739 1.00 0.00 H new ATOM 845 N THR A 52 -1.605 -8.131 9.230 1.00 0.00 N ATOM 846 CA THR A 52 -1.170 -8.454 10.605 1.00 0.00 C ATOM 847 C THR A 52 -0.099 -7.505 11.144 1.00 0.00 C ATOM 848 O THR A 52 0.215 -7.549 12.332 1.00 0.00 O ATOM 849 CB THR A 52 -0.638 -9.890 10.667 1.00 0.00 C ATOM 850 OG1 THR A 52 0.405 -10.032 9.720 1.00 0.00 O ATOM 851 CG2 THR A 52 -1.735 -10.914 10.368 1.00 0.00 C ATOM 0 H THR A 52 -1.216 -8.769 8.536 1.00 0.00 H new ATOM 0 HA THR A 52 -2.052 -8.339 11.235 1.00 0.00 H new ATOM 0 HB THR A 52 -0.273 -10.077 11.677 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.754 -10.947 9.752 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.318 -11.920 10.422 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.536 -10.814 11.100 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.133 -10.739 9.369 1.00 0.00 H new ATOM 859 N ASN A 53 0.467 -6.657 10.285 1.00 0.00 N ATOM 860 CA ASN A 53 1.637 -5.823 10.567 1.00 0.00 C ATOM 861 C ASN A 53 1.624 -4.519 9.749 1.00 0.00 C ATOM 862 O ASN A 53 1.083 -4.459 8.642 1.00 0.00 O ATOM 863 CB ASN A 53 2.911 -6.648 10.322 1.00 0.00 C ATOM 864 CG ASN A 53 3.107 -6.987 8.847 1.00 0.00 C ATOM 865 OD1 ASN A 53 3.744 -6.243 8.114 1.00 0.00 O ATOM 866 ND2 ASN A 53 2.551 -8.088 8.372 1.00 0.00 N ATOM 0 H ASN A 53 0.110 -6.527 9.338 1.00 0.00 H new ATOM 0 HA ASN A 53 1.612 -5.516 11.613 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.776 -6.092 10.683 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.861 -7.570 10.901 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.651 -8.325 7.385 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.022 -8.701 8.993 1.00 0.00 H new ATOM 873 N LYS A 54 2.243 -3.465 10.291 1.00 0.00 N ATOM 874 CA LYS A 54 2.221 -2.113 9.711 1.00 0.00 C ATOM 875 C LYS A 54 2.950 -1.999 8.359 1.00 0.00 C ATOM 876 O LYS A 54 2.558 -1.184 7.521 1.00 0.00 O ATOM 877 CB LYS A 54 2.815 -1.127 10.733 1.00 0.00 C ATOM 878 CG LYS A 54 1.948 -0.991 11.995 1.00 0.00 C ATOM 879 CD LYS A 54 2.527 0.072 12.938 1.00 0.00 C ATOM 880 CE LYS A 54 1.672 0.180 14.207 1.00 0.00 C ATOM 881 NZ LYS A 54 2.222 1.180 15.160 1.00 0.00 N ATOM 0 H LYS A 54 2.781 -3.525 11.156 1.00 0.00 H new ATOM 0 HA LYS A 54 1.180 -1.870 9.496 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.813 -1.461 11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.927 -0.148 10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.930 -0.721 11.715 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.893 -1.950 12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.552 -0.187 13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.562 1.037 12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.653 0.458 13.936 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.618 -0.794 14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.617 1.224 16.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.185 0.902 15.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.250 2.115 14.705 1.00 0.00 H new ATOM 895 N LYS A 55 3.987 -2.805 8.114 1.00 0.00 N ATOM 896 CA LYS A 55 4.750 -2.799 6.853 1.00 0.00 C ATOM 897 C LYS A 55 3.916 -3.318 5.672 1.00 0.00 C ATOM 898 O LYS A 55 3.818 -2.658 4.636 1.00 0.00 O ATOM 899 CB LYS A 55 6.036 -3.623 7.034 1.00 0.00 C ATOM 900 CG LYS A 55 7.085 -2.867 7.866 1.00 0.00 C ATOM 901 CD LYS A 55 8.327 -3.716 8.190 1.00 0.00 C ATOM 902 CE LYS A 55 9.080 -4.284 6.975 1.00 0.00 C ATOM 903 NZ LYS A 55 9.600 -3.225 6.071 1.00 0.00 N ATOM 0 H LYS A 55 4.328 -3.489 8.790 1.00 0.00 H new ATOM 0 HA LYS A 55 5.013 -1.769 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.797 -4.568 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.453 -3.866 6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.395 -1.974 7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.628 -2.532 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.019 -3.107 8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.021 -4.547 8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.911 -4.898 7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.413 -4.939 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.098 -3.665 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.808 -2.654 5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.259 -2.614 6.595 1.00 0.00 H new ATOM 917 N ASP A 56 3.245 -4.457 5.845 1.00 0.00 N ATOM 918 CA ASP A 56 2.394 -5.049 4.812 1.00 0.00 C ATOM 919 C ASP A 56 1.055 -4.307 4.662 1.00 0.00 C ATOM 920 O ASP A 56 0.530 -4.213 3.557 1.00 0.00 O ATOM 921 CB ASP A 56 2.198 -6.538 5.114 1.00 0.00 C ATOM 922 CG ASP A 56 1.578 -7.295 3.930 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.225 -7.375 2.860 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.459 -7.835 4.093 1.00 0.00 O ATOM 0 H ASP A 56 3.277 -4.997 6.709 1.00 0.00 H new ATOM 0 HA ASP A 56 2.893 -4.947 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.160 -6.985 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.557 -6.648 5.989 1.00 0.00 H new ATOM 929 N ALA A 57 0.538 -3.693 5.736 1.00 0.00 N ATOM 930 CA ALA A 57 -0.623 -2.798 5.655 1.00 0.00 C ATOM 931 C ALA A 57 -0.325 -1.547 4.802 1.00 0.00 C ATOM 932 O ALA A 57 -1.112 -1.215 3.912 1.00 0.00 O ATOM 933 CB ALA A 57 -1.081 -2.442 7.077 1.00 0.00 C ATOM 0 H ALA A 57 0.911 -3.802 6.679 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.438 -3.312 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.943 -1.777 7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.356 -3.353 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.269 -1.943 7.607 1.00 0.00 H new ATOM 939 N GLN A 58 0.830 -0.901 5.012 1.00 0.00 N ATOM 940 CA GLN A 58 1.302 0.207 4.170 1.00 0.00 C ATOM 941 C GLN A 58 1.587 -0.243 2.735 1.00 0.00 C ATOM 942 O GLN A 58 1.275 0.486 1.798 1.00 0.00 O ATOM 943 CB GLN A 58 2.581 0.822 4.754 1.00 0.00 C ATOM 944 CG GLN A 58 2.341 1.717 5.977 1.00 0.00 C ATOM 945 CD GLN A 58 3.660 2.115 6.636 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.235 3.164 6.377 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.199 1.276 7.495 1.00 0.00 N ATOM 0 H GLN A 58 1.466 -1.133 5.774 1.00 0.00 H new ATOM 0 HA GLN A 58 0.503 0.948 4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.264 0.019 5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.077 1.408 3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.797 2.612 5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.715 1.192 6.698 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.727 0.400 7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.089 1.502 7.939 1.00 0.00 H new ATOM 956 N SER A 59 2.140 -1.441 2.535 1.00 0.00 N ATOM 957 CA SER A 59 2.384 -1.986 1.192 1.00 0.00 C ATOM 958 C SER A 59 1.080 -2.238 0.420 1.00 0.00 C ATOM 959 O SER A 59 1.013 -1.976 -0.782 1.00 0.00 O ATOM 960 CB SER A 59 3.213 -3.275 1.282 1.00 0.00 C ATOM 961 OG SER A 59 4.510 -3.025 1.806 1.00 0.00 O ATOM 0 H SER A 59 2.431 -2.060 3.292 1.00 0.00 H new ATOM 0 HA SER A 59 2.946 -1.236 0.635 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.697 -3.997 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.300 -3.723 0.292 1.00 0.00 H new ATOM 0 HG SER A 59 4.451 -2.891 2.775 1.00 0.00 H new ATOM 967 N ASN A 60 0.008 -2.662 1.098 1.00 0.00 N ATOM 968 CA ASN A 60 -1.316 -2.802 0.482 1.00 0.00 C ATOM 969 C ASN A 60 -1.954 -1.431 0.184 1.00 0.00 C ATOM 970 O ASN A 60 -2.516 -1.247 -0.897 1.00 0.00 O ATOM 971 CB ASN A 60 -2.228 -3.674 1.360 1.00 0.00 C ATOM 972 CG ASN A 60 -1.991 -5.165 1.142 1.00 0.00 C ATOM 973 OD1 ASN A 60 -2.484 -5.756 0.189 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.252 -5.816 2.018 1.00 0.00 N ATOM 0 H ASN A 60 0.033 -2.917 2.085 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.190 -3.304 -0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.058 -3.431 2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.270 -3.439 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.088 -6.816 1.904 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.844 -5.319 2.810 1.00 0.00 H new ATOM 981 N ALA A 61 -1.812 -0.447 1.083 1.00 0.00 N ATOM 982 CA ALA A 61 -2.269 0.927 0.845 1.00 0.00 C ATOM 983 C ALA A 61 -1.550 1.570 -0.352 1.00 0.00 C ATOM 984 O ALA A 61 -2.195 2.172 -1.211 1.00 0.00 O ATOM 985 CB ALA A 61 -2.080 1.743 2.130 1.00 0.00 C ATOM 0 H ALA A 61 -1.377 -0.583 1.995 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.328 0.911 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.417 2.766 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.663 1.295 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.026 1.748 2.406 1.00 0.00 H new ATOM 991 N ALA A 62 -0.232 1.372 -0.453 1.00 0.00 N ATOM 992 CA ALA A 62 0.577 1.804 -1.587 1.00 0.00 C ATOM 993 C ALA A 62 0.136 1.120 -2.887 1.00 0.00 C ATOM 994 O ALA A 62 -0.141 1.811 -3.868 1.00 0.00 O ATOM 995 CB ALA A 62 2.049 1.538 -1.256 1.00 0.00 C ATOM 0 H ALA A 62 0.310 0.897 0.269 1.00 0.00 H new ATOM 0 HA ALA A 62 0.439 2.872 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.673 1.854 -2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.328 2.097 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.195 0.473 -1.077 1.00 0.00 H new ATOM 1001 N ARG A 63 -0.016 -0.213 -2.887 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.476 -0.968 -4.060 1.00 0.00 C ATOM 1003 C ARG A 63 -1.830 -0.472 -4.578 1.00 0.00 C ATOM 1004 O ARG A 63 -2.017 -0.388 -5.791 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.537 -2.475 -3.734 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.860 -3.360 -4.953 1.00 0.00 C ATOM 1007 CD ARG A 63 0.189 -3.278 -6.074 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.281 -3.923 -7.312 1.00 0.00 N ATOM 1009 CZ ARG A 63 -1.006 -3.358 -8.271 1.00 0.00 C ATOM 1010 NH1 ARG A 63 -1.501 -2.140 -8.166 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -1.244 -4.028 -9.377 1.00 0.00 N ATOM 0 H ARG A 63 0.177 -0.797 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 63 0.248 -0.803 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.420 -2.786 -3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.292 -2.641 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.948 -4.396 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.831 -3.069 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.424 -2.233 -6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.112 -3.755 -5.744 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.024 -4.901 -7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.332 -1.592 -7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.052 -1.746 -8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.873 -4.971 -9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.799 -3.604 -10.120 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.739 -0.100 -3.676 1.00 0.00 N ATOM 1026 CA ASP A 64 -4.072 0.417 -3.992 1.00 0.00 C ATOM 1027 C ASP A 64 -4.039 1.863 -4.528 1.00 0.00 C ATOM 1028 O ASP A 64 -4.777 2.181 -5.461 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.936 0.284 -2.731 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.425 0.554 -2.986 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -7.014 -0.108 -3.874 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.999 1.397 -2.259 1.00 0.00 O ATOM 0 H ASP A 64 -2.562 -0.152 -2.673 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.505 -0.168 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.820 -0.720 -2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.572 0.979 -1.974 1.00 0.00 H new ATOM 1037 N PHE A 65 -3.134 2.719 -4.031 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.919 4.058 -4.596 1.00 0.00 C ATOM 1039 C PHE A 65 -2.196 4.002 -5.952 1.00 0.00 C ATOM 1040 O PHE A 65 -2.552 4.737 -6.869 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.168 4.948 -3.597 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.138 6.410 -4.008 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.218 7.255 -3.692 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -1.055 6.920 -4.748 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.223 8.594 -4.122 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -1.055 8.264 -5.165 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.142 9.099 -4.861 1.00 0.00 C ATOM 0 H PHE A 65 -2.536 2.505 -3.233 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.898 4.501 -4.781 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.638 4.862 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.146 4.585 -3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.048 6.873 -3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.222 6.279 -4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.059 9.234 -3.883 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.216 8.655 -5.721 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.146 10.126 -5.195 1.00 0.00 H new ATOM 1057 N VAL A 66 -1.239 3.086 -6.124 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.581 2.825 -7.421 1.00 0.00 C ATOM 1059 C VAL A 66 -1.593 2.324 -8.455 1.00 0.00 C ATOM 1060 O VAL A 66 -1.547 2.734 -9.613 1.00 0.00 O ATOM 1061 CB VAL A 66 0.585 1.824 -7.270 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.172 1.358 -8.611 1.00 0.00 C ATOM 1063 CG2 VAL A 66 1.705 2.475 -6.456 1.00 0.00 C ATOM 0 H VAL A 66 -0.892 2.497 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.166 3.769 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 66 0.176 0.946 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.986 0.657 -8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.395 0.867 -9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.552 2.219 -9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.531 1.772 -6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.056 3.370 -6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.327 2.748 -5.470 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.561 1.510 -8.031 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.672 1.072 -8.881 1.00 0.00 C ATOM 1075 C ASN A 67 -4.498 2.275 -9.396 1.00 0.00 C ATOM 1076 O ASN A 67 -4.795 2.348 -10.587 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.482 -0.008 -8.131 1.00 0.00 C ATOM 1078 CG ASN A 67 -5.987 0.168 -8.227 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -6.642 -0.337 -9.129 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -6.562 0.912 -7.306 1.00 0.00 N ATOM 0 H ASN A 67 -2.598 1.134 -7.084 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.299 0.604 -9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.215 -0.988 -8.528 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.192 0.000 -7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.568 1.075 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.001 1.325 -6.561 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.759 3.283 -8.557 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.340 4.564 -8.987 1.00 0.00 C ATOM 1089 C TYR A 68 -4.426 5.327 -9.964 1.00 0.00 C ATOM 1090 O TYR A 68 -4.894 5.745 -11.022 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.718 5.392 -7.749 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.822 6.890 -7.977 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -6.978 7.452 -8.551 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.745 7.723 -7.612 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.069 8.846 -8.738 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.826 9.114 -7.804 1.00 0.00 C ATOM 1097 CZ TYR A 68 -5.998 9.683 -8.349 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.099 11.036 -8.476 1.00 0.00 O ATOM 0 H TYR A 68 -4.573 3.235 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.249 4.364 -9.555 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.674 5.032 -7.369 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.977 5.210 -6.971 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.797 6.814 -8.849 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.853 7.291 -7.183 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.957 9.275 -9.178 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.993 9.746 -7.535 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.040 11.301 -8.412 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.119 5.429 -9.683 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.149 6.095 -10.568 1.00 0.00 C ATOM 1110 C LEU A 69 -2.050 5.443 -11.957 1.00 0.00 C ATOM 1111 O LEU A 69 -1.895 6.155 -12.949 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.765 6.153 -9.906 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.635 7.028 -8.643 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.786 6.851 -8.088 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.921 8.508 -8.943 1.00 0.00 C ATOM 0 H LEU A 69 -2.702 5.051 -8.832 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.520 7.108 -10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.469 5.136 -9.647 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.050 6.514 -10.645 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.374 6.712 -7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.905 7.460 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.951 5.803 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.511 7.164 -8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.819 9.091 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.212 8.872 -9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.935 8.612 -9.328 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.195 4.120 -12.054 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.288 3.397 -13.341 1.00 0.00 C ATOM 1129 C VAL A 70 -3.603 3.715 -14.063 1.00 0.00 C ATOM 1130 O VAL A 70 -3.590 3.983 -15.263 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.129 1.868 -13.164 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.379 1.087 -14.465 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.717 1.520 -12.671 1.00 0.00 C ATOM 0 H VAL A 70 -2.252 3.508 -11.240 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.459 3.747 -13.956 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.880 1.577 -12.430 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.253 0.020 -14.279 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.394 1.277 -14.814 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.667 1.409 -15.225 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.628 0.440 -12.554 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.018 1.868 -13.397 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.537 2.005 -11.712 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.724 3.748 -13.332 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.052 4.069 -13.891 1.00 0.00 C ATOM 1145 C ARG A 71 -6.160 5.509 -14.425 1.00 0.00 C ATOM 1146 O ARG A 71 -6.931 5.752 -15.354 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.155 3.792 -12.857 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.384 2.287 -12.651 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.346 2.039 -11.485 1.00 0.00 C ATOM 1150 NE ARG A 71 -8.429 0.607 -11.156 1.00 0.00 N ATOM 1151 CZ ARG A 71 -9.225 -0.309 -11.689 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -10.092 -0.027 -12.640 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -9.149 -1.548 -11.255 1.00 0.00 N ATOM 0 H ARG A 71 -4.740 3.553 -12.331 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.188 3.413 -14.751 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.885 4.251 -11.906 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.084 4.259 -13.184 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.789 1.848 -13.563 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.432 1.793 -12.455 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.012 2.597 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.337 2.413 -11.742 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.795 0.279 -10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.169 0.927 -12.993 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.686 -0.762 -13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.485 -1.791 -10.520 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.754 -2.266 -11.654 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.358 6.448 -13.906 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.227 7.825 -14.442 1.00 0.00 C ATOM 1169 C ILE A 72 -4.010 8.015 -15.370 1.00 0.00 C ATOM 1170 O ILE A 72 -3.743 9.136 -15.801 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.295 8.889 -13.317 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.078 8.846 -12.370 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.614 8.749 -12.531 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -3.898 10.125 -11.545 1.00 0.00 C ATOM 0 H ILE A 72 -4.770 6.278 -13.090 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.095 7.982 -15.083 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.267 9.866 -13.800 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.185 7.999 -11.693 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.177 8.673 -12.958 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.650 9.502 -11.744 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.457 8.891 -13.207 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.669 7.756 -12.086 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.024 10.023 -10.902 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.759 10.974 -12.215 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.783 10.289 -10.930 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.274 6.942 -15.688 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.158 6.886 -16.650 1.00 0.00 C ATOM 1188 C ASN A 73 -0.868 7.606 -16.183 1.00 0.00 C ATOM 1189 O ASN A 73 0.023 7.878 -16.990 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.613 7.329 -18.057 1.00 0.00 C ATOM 1191 CG ASN A 73 -3.864 6.596 -18.532 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -3.852 5.393 -18.771 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -4.977 7.293 -18.688 1.00 0.00 N ATOM 0 H ASN A 73 -3.450 6.034 -15.257 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.867 5.837 -16.706 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.807 8.402 -18.050 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.804 7.155 -18.767 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.828 6.830 -19.008 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.985 8.293 -18.489 1.00 0.00 H new ATOM 1200 N GLU A 74 -0.738 7.887 -14.880 1.00 0.00 N ATOM 1201 CA GLU A 74 0.436 8.530 -14.261 1.00 0.00 C ATOM 1202 C GLU A 74 1.513 7.524 -13.794 1.00 0.00 C ATOM 1203 O GLU A 74 2.607 7.924 -13.388 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.027 9.436 -13.107 1.00 0.00 C ATOM 1205 CG GLU A 74 -0.855 10.647 -13.569 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.077 11.571 -14.521 1.00 0.00 C ATOM 1207 OE1 GLU A 74 1.024 12.036 -14.141 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.562 11.848 -15.642 1.00 0.00 O ATOM 0 H GLU A 74 -1.469 7.667 -14.203 1.00 0.00 H new ATOM 0 HA GLU A 74 0.921 9.134 -15.028 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.620 8.846 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.847 9.791 -12.562 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.758 10.295 -14.068 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.175 11.217 -12.697 1.00 0.00 H new ATOM 1215 N VAL A 75 1.225 6.222 -13.895 1.00 0.00 N ATOM 1216 CA VAL A 75 2.151 5.086 -13.724 1.00 0.00 C ATOM 1217 C VAL A 75 1.837 4.055 -14.816 1.00 0.00 C ATOM 1218 O VAL A 75 0.668 3.815 -15.113 1.00 0.00 O ATOM 1219 CB VAL A 75 1.998 4.425 -12.328 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.882 3.177 -12.177 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.411 5.341 -11.172 1.00 0.00 C ATOM 0 H VAL A 75 0.279 5.908 -14.112 1.00 0.00 H new ATOM 0 HA VAL A 75 3.176 5.447 -13.803 1.00 0.00 H new ATOM 0 HB VAL A 75 0.936 4.186 -12.276 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.741 2.749 -11.184 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.605 2.441 -12.932 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.928 3.454 -12.307 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.279 4.816 -10.226 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.458 5.623 -11.287 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.791 6.237 -11.179 1.00 0.00 H new ATOM 1231 N LYS A 76 2.860 3.428 -15.409 1.00 0.00 N ATOM 1232 CA LYS A 76 2.670 2.259 -16.283 1.00 0.00 C ATOM 1233 C LYS A 76 2.649 0.969 -15.450 1.00 0.00 C ATOM 1234 O LYS A 76 3.569 0.717 -14.671 1.00 0.00 O ATOM 1235 CB LYS A 76 3.782 2.170 -17.340 1.00 0.00 C ATOM 1236 CG LYS A 76 3.778 3.333 -18.347 1.00 0.00 C ATOM 1237 CD LYS A 76 4.506 2.950 -19.646 1.00 0.00 C ATOM 1238 CE LYS A 76 5.975 2.561 -19.420 1.00 0.00 C ATOM 1239 NZ LYS A 76 6.530 1.842 -20.594 1.00 0.00 N ATOM 0 H LYS A 76 3.834 3.711 -15.300 1.00 0.00 H new ATOM 0 HA LYS A 76 1.714 2.377 -16.794 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.748 2.142 -16.836 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.679 1.231 -17.884 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.750 3.617 -18.574 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.259 4.204 -17.902 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.984 2.117 -20.116 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.461 3.788 -20.342 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.565 3.457 -19.228 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.054 1.931 -18.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.566 1.802 -20.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.147 0.875 -20.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.266 2.344 -21.465 1.00 0.00 H new ATOM 1253 N SER A 77 1.654 0.106 -15.655 1.00 0.00 N ATOM 1254 CA SER A 77 1.547 -1.198 -14.974 1.00 0.00 C ATOM 1255 C SER A 77 2.816 -2.058 -15.123 1.00 0.00 C ATOM 1256 O SER A 77 3.240 -2.701 -14.160 1.00 0.00 O ATOM 1257 CB SER A 77 0.324 -1.955 -15.507 1.00 0.00 C ATOM 1258 OG SER A 77 0.348 -2.025 -16.930 1.00 0.00 O ATOM 0 H SER A 77 0.888 0.288 -16.304 1.00 0.00 H new ATOM 0 HA SER A 77 1.430 -1.001 -13.908 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.305 -2.962 -15.090 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.588 -1.457 -15.179 1.00 0.00 H new ATOM 0 HG SER A 77 -0.440 -2.513 -17.247 1.00 0.00 H new ATOM 1264 N GLU A 78 3.488 -1.967 -16.279 1.00 0.00 N ATOM 1265 CA GLU A 78 4.766 -2.624 -16.600 1.00 0.00 C ATOM 1266 C GLU A 78 5.870 -2.400 -15.545 1.00 0.00 C ATOM 1267 O GLU A 78 6.750 -3.249 -15.384 1.00 0.00 O ATOM 1268 CB GLU A 78 5.294 -2.103 -17.950 1.00 0.00 C ATOM 1269 CG GLU A 78 4.337 -2.312 -19.132 1.00 0.00 C ATOM 1270 CD GLU A 78 4.990 -1.864 -20.448 1.00 0.00 C ATOM 1271 OE1 GLU A 78 5.212 -0.642 -20.631 1.00 0.00 O ATOM 1272 OE2 GLU A 78 5.285 -2.727 -21.309 1.00 0.00 O ATOM 0 H GLU A 78 3.139 -1.405 -17.056 1.00 0.00 H new ATOM 0 HA GLU A 78 4.548 -3.692 -16.629 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.507 -1.038 -17.856 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.239 -2.599 -18.172 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.058 -3.364 -19.199 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.419 -1.749 -18.966 1.00 0.00 H new ATOM 1279 N GLU A 79 5.822 -1.280 -14.812 1.00 0.00 N ATOM 1280 CA GLU A 79 6.819 -0.899 -13.808 1.00 0.00 C ATOM 1281 C GLU A 79 6.457 -1.349 -12.379 1.00 0.00 C ATOM 1282 O GLU A 79 7.320 -1.350 -11.501 1.00 0.00 O ATOM 1283 CB GLU A 79 6.973 0.630 -13.812 1.00 0.00 C ATOM 1284 CG GLU A 79 7.479 1.223 -15.137 1.00 0.00 C ATOM 1285 CD GLU A 79 8.876 0.709 -15.523 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.859 1.016 -14.807 1.00 0.00 O ATOM 1287 OE2 GLU A 79 9.005 0.017 -16.560 1.00 0.00 O ATOM 0 H GLU A 79 5.069 -0.598 -14.905 1.00 0.00 H new ATOM 0 HA GLU A 79 7.746 -1.403 -14.080 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.009 1.079 -13.574 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.662 0.914 -13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.774 0.979 -15.932 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.506 2.310 -15.057 1.00 0.00 H new ATOM 1294 N VAL A 80 5.201 -1.729 -12.132 1.00 0.00 N ATOM 1295 CA VAL A 80 4.656 -1.959 -10.780 1.00 0.00 C ATOM 1296 C VAL A 80 5.139 -3.308 -10.208 1.00 0.00 C ATOM 1297 O VAL A 80 4.893 -4.341 -10.841 1.00 0.00 O ATOM 1298 CB VAL A 80 3.110 -1.892 -10.763 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.558 -2.092 -9.340 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.606 -0.538 -11.294 1.00 0.00 C ATOM 0 H VAL A 80 4.519 -1.890 -12.873 1.00 0.00 H new ATOM 0 HA VAL A 80 5.032 -1.157 -10.145 1.00 0.00 H new ATOM 0 HB VAL A 80 2.754 -2.695 -11.409 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.469 -2.040 -9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.867 -3.067 -8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.946 -1.311 -8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.516 -0.521 -11.270 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.996 0.266 -10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.949 -0.399 -12.319 1.00 0.00 H new ATOM 1310 N PRO A 81 5.791 -3.336 -9.026 1.00 0.00 N ATOM 1311 CA PRO A 81 6.246 -4.567 -8.387 1.00 0.00 C ATOM 1312 C PRO A 81 5.092 -5.283 -7.670 1.00 0.00 C ATOM 1313 O PRO A 81 4.219 -4.650 -7.076 1.00 0.00 O ATOM 1314 CB PRO A 81 7.342 -4.134 -7.411 1.00 0.00 C ATOM 1315 CG PRO A 81 6.899 -2.735 -6.989 1.00 0.00 C ATOM 1316 CD PRO A 81 6.230 -2.182 -8.248 1.00 0.00 C ATOM 0 HA PRO A 81 6.624 -5.286 -9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.411 -4.809 -6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.323 -4.120 -7.887 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.207 -2.769 -6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.745 -2.121 -6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.385 -1.544 -7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.927 -1.571 -8.821 1.00 0.00 H new