USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 562 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 30 THR OG1 : rot 180:sc= -0.57 USER MOD Set 1.2: A 33 GLN : amide:sc= 0.395 K(o=-0.17,f=-3.8!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= 0.793 (180deg=0.559) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= 0.927 (180deg=0.299) USER MOD Single : A 49 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.41) USER MOD Single : A 51 HIS : no HD1:sc= -0.636 X(o=-0.64,f=-0.81) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.108 K(o=-0.11,f=-0.66) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.73 K(o=-1.7,f=-5.8!) USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0228) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -21:sc= 0.187 USER MOD Single : A 74 ASN : amide:sc= -0.891 K(o=-0.89,f=-3.7!) USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= 1.3 (180deg=0.647) USER MOD Single : A 77 HIS : no HD1:sc= 0.833 K(o=0.83,f=-2.7!) USER MOD Single : A 80 THR OG1 : rot 78:sc= 0.56 USER MOD Single : A 82 TYR OH : rot 47:sc= 0.484 USER MOD Single : A 83 ASN : amide:sc= 0.229 X(o=0.23,f=-0.06) USER MOD Single : A 84 HIS : no HD1:sc= -0.199 X(o=-0.2,f=0.026) USER MOD Single : A 88 THR OG1 : rot 176:sc= -1.15 USER MOD Single : A 89 LYS NZ :NH3+ -122:sc= -0.133 (180deg=-0.696) USER MOD Single : A 92 LYS NZ :NH3+ -138:sc= -0.16 (180deg=-1.53) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -5.485 4.455 1.399 1.00 0.00 N ATOM 96 CA ARG A 27 -4.508 4.773 0.351 1.00 0.00 C ATOM 97 C ARG A 27 -3.596 5.932 0.790 1.00 0.00 C ATOM 98 O ARG A 27 -4.068 6.948 1.317 1.00 0.00 O ATOM 99 CB ARG A 27 -5.180 5.086 -1.021 1.00 0.00 C ATOM 100 CG ARG A 27 -5.987 6.409 -1.131 1.00 0.00 C ATOM 101 CD ARG A 27 -7.338 6.379 -0.401 1.00 0.00 C ATOM 102 NE ARG A 27 -8.125 7.609 -0.623 1.00 0.00 N ATOM 103 CZ ARG A 27 -8.907 8.208 0.292 1.00 0.00 C ATOM 104 NH1 ARG A 27 -8.988 7.740 1.532 1.00 0.00 N ATOM 105 NH2 ARG A 27 -9.600 9.282 -0.041 1.00 0.00 N ATOM 0 HA ARG A 27 -3.898 3.881 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.401 5.101 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.849 4.261 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.386 7.224 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.159 6.631 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.912 5.517 -0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.168 6.248 0.668 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.071 8.039 -1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.452 6.915 1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.586 8.206 2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.541 9.654 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.195 9.740 0.650 1.00 0.00 H new ATOM 119 N ALA A 28 -2.292 5.737 0.602 1.00 0.00 N ATOM 120 CA ALA A 28 -1.279 6.760 0.885 1.00 0.00 C ATOM 121 C ALA A 28 -1.243 7.780 -0.259 1.00 0.00 C ATOM 122 O ALA A 28 -0.961 8.965 -0.055 1.00 0.00 O ATOM 123 CB ALA A 28 0.093 6.102 1.066 1.00 0.00 C ATOM 0 H ALA A 28 -1.904 4.863 0.248 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.536 7.279 1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.839 6.868 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.052 5.398 1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.365 5.571 0.154 1.00 0.00 H new ATOM 129 N TRP A 29 -1.534 7.281 -1.468 1.00 0.00 N ATOM 130 CA TRP A 29 -1.469 8.043 -2.715 1.00 0.00 C ATOM 131 C TRP A 29 -2.784 7.869 -3.475 1.00 0.00 C ATOM 132 O TRP A 29 -3.347 6.774 -3.477 1.00 0.00 O ATOM 133 CB TRP A 29 -0.300 7.519 -3.588 1.00 0.00 C ATOM 134 CG TRP A 29 0.998 7.343 -2.837 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.783 8.323 -2.303 1.00 0.00 C ATOM 136 CD2 TRP A 29 1.659 6.101 -2.551 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.883 7.767 -1.704 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.831 6.408 -1.842 1.00 0.00 C ATOM 139 CE3 TRP A 29 1.366 4.766 -2.831 1.00 0.00 C ATOM 140 CZ2 TRP A 29 3.718 5.430 -1.415 1.00 0.00 C ATOM 141 CZ3 TRP A 29 2.243 3.794 -2.405 1.00 0.00 C ATOM 142 CH2 TRP A 29 3.403 4.130 -1.697 1.00 0.00 C ATOM 0 H TRP A 29 -1.827 6.314 -1.605 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.306 9.097 -2.490 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.587 6.563 -4.025 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.139 8.211 -4.414 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.569 9.381 -2.346 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.623 8.285 -1.230 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.469 4.500 -3.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.621 5.686 -0.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.033 2.757 -2.620 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.065 3.343 -1.366 1.00 0.00 H new ATOM 153 N THR A 30 -3.251 8.939 -4.130 1.00 0.00 N ATOM 154 CA THR A 30 -4.428 8.890 -5.014 1.00 0.00 C ATOM 155 C THR A 30 -4.011 8.365 -6.401 1.00 0.00 C ATOM 156 O THR A 30 -2.812 8.178 -6.650 1.00 0.00 O ATOM 157 CB THR A 30 -5.086 10.299 -5.134 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.111 11.261 -5.559 1.00 0.00 O ATOM 159 CG2 THR A 30 -5.704 10.756 -3.802 1.00 0.00 C ATOM 0 H THR A 30 -2.826 9.864 -4.064 1.00 0.00 H new ATOM 0 HA THR A 30 -5.166 8.212 -4.585 1.00 0.00 H new ATOM 0 HB THR A 30 -5.885 10.225 -5.872 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.532 12.143 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.152 11.742 -3.928 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.471 10.045 -3.494 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.928 10.805 -3.039 1.00 0.00 H new ATOM 167 N VAL A 31 -4.993 8.154 -7.304 1.00 0.00 N ATOM 168 CA VAL A 31 -4.736 7.585 -8.652 1.00 0.00 C ATOM 169 C VAL A 31 -3.738 8.458 -9.454 1.00 0.00 C ATOM 170 O VAL A 31 -2.854 7.927 -10.130 1.00 0.00 O ATOM 171 CB VAL A 31 -6.074 7.332 -9.466 1.00 0.00 C ATOM 172 CG1 VAL A 31 -6.924 8.611 -9.608 1.00 0.00 C ATOM 173 CG2 VAL A 31 -5.799 6.692 -10.859 1.00 0.00 C ATOM 0 H VAL A 31 -5.974 8.369 -7.126 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.274 6.609 -8.499 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.653 6.618 -8.881 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.829 8.386 -10.173 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.196 8.979 -8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.349 9.374 -10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.743 6.537 -11.381 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.165 7.357 -11.446 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.296 5.734 -10.726 1.00 0.00 H new ATOM 183 N GLU A 32 -3.865 9.794 -9.324 1.00 0.00 N ATOM 184 CA GLU A 32 -2.973 10.770 -9.990 1.00 0.00 C ATOM 185 C GLU A 32 -1.550 10.737 -9.392 1.00 0.00 C ATOM 186 O GLU A 32 -0.565 10.842 -10.132 1.00 0.00 O ATOM 187 CB GLU A 32 -3.574 12.205 -9.913 1.00 0.00 C ATOM 188 CG GLU A 32 -3.863 12.712 -8.487 1.00 0.00 C ATOM 189 CD GLU A 32 -4.429 14.138 -8.458 1.00 0.00 C ATOM 190 OE1 GLU A 32 -5.622 14.314 -8.792 1.00 0.00 O ATOM 191 OE2 GLU A 32 -3.688 15.084 -8.112 1.00 0.00 O ATOM 0 H GLU A 32 -4.590 10.229 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.894 10.485 -11.039 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.885 12.898 -10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.501 12.226 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.570 12.037 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.943 12.681 -7.903 1.00 0.00 H new ATOM 198 N GLN A 33 -1.456 10.589 -8.047 1.00 0.00 N ATOM 199 CA GLN A 33 -0.160 10.496 -7.337 1.00 0.00 C ATOM 200 C GLN A 33 0.612 9.240 -7.772 1.00 0.00 C ATOM 201 O GLN A 33 1.834 9.297 -7.910 1.00 0.00 O ATOM 202 CB GLN A 33 -0.356 10.514 -5.796 1.00 0.00 C ATOM 203 CG GLN A 33 -0.917 11.831 -5.241 1.00 0.00 C ATOM 204 CD GLN A 33 -0.993 11.866 -3.712 1.00 0.00 C ATOM 205 OE1 GLN A 33 -1.998 11.476 -3.119 1.00 0.00 O ATOM 206 NE2 GLN A 33 0.069 12.321 -3.062 1.00 0.00 N ATOM 0 H GLN A 33 -2.268 10.532 -7.432 1.00 0.00 H new ATOM 0 HA GLN A 33 0.429 11.372 -7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.028 9.702 -5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.603 10.312 -5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.293 12.656 -5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.914 11.993 -5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.888 12.638 -3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.067 12.355 -2.043 1.00 0.00 H new ATOM 215 N LEU A 34 -0.111 8.133 -8.016 1.00 0.00 N ATOM 216 CA LEU A 34 0.491 6.873 -8.506 1.00 0.00 C ATOM 217 C LEU A 34 1.156 7.108 -9.862 1.00 0.00 C ATOM 218 O LEU A 34 2.342 6.829 -10.044 1.00 0.00 O ATOM 219 CB LEU A 34 -0.582 5.780 -8.667 1.00 0.00 C ATOM 220 CG LEU A 34 -1.341 5.375 -7.380 1.00 0.00 C ATOM 221 CD1 LEU A 34 -2.455 4.386 -7.725 1.00 0.00 C ATOM 222 CD2 LEU A 34 -0.389 4.802 -6.301 1.00 0.00 C ATOM 0 H LEU A 34 -1.121 8.082 -7.882 1.00 0.00 H new ATOM 0 HA LEU A 34 1.231 6.546 -7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.311 6.121 -9.402 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.106 4.890 -9.079 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.788 6.272 -6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.986 4.104 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.151 4.851 -8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.023 3.496 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.964 4.531 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.114 3.917 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.354 5.554 -6.035 1.00 0.00 H new ATOM 234 N ARG A 35 0.362 7.709 -10.778 1.00 0.00 N ATOM 235 CA ARG A 35 0.751 7.955 -12.175 1.00 0.00 C ATOM 236 C ARG A 35 1.918 8.956 -12.278 1.00 0.00 C ATOM 237 O ARG A 35 2.567 9.033 -13.328 1.00 0.00 O ATOM 238 CB ARG A 35 -0.468 8.457 -12.987 1.00 0.00 C ATOM 239 CG ARG A 35 -1.653 7.464 -13.072 1.00 0.00 C ATOM 240 CD ARG A 35 -2.823 8.023 -13.905 1.00 0.00 C ATOM 241 NE ARG A 35 -3.384 9.279 -13.344 1.00 0.00 N ATOM 242 CZ ARG A 35 -3.161 10.524 -13.821 1.00 0.00 C ATOM 243 NH1 ARG A 35 -2.357 10.734 -14.863 1.00 0.00 N ATOM 244 NH2 ARG A 35 -3.748 11.555 -13.250 1.00 0.00 N ATOM 0 H ARG A 35 -0.578 8.039 -10.559 1.00 0.00 H new ATOM 0 HA ARG A 35 1.096 7.010 -12.595 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.824 9.386 -12.542 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.139 8.694 -13.999 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.310 6.528 -13.513 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.003 7.232 -12.066 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.482 8.207 -14.924 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.612 7.273 -13.963 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.990 9.195 -12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.895 9.946 -15.318 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.204 11.682 -15.206 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.367 11.412 -12.452 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.584 12.497 -13.605 1.00 0.00 H new ATOM 258 N SER A 36 2.150 9.742 -11.200 1.00 0.00 N ATOM 259 CA SER A 36 3.314 10.637 -11.105 1.00 0.00 C ATOM 260 C SER A 36 4.608 9.824 -11.286 1.00 0.00 C ATOM 261 O SER A 36 4.832 8.833 -10.580 1.00 0.00 O ATOM 262 CB SER A 36 3.325 11.377 -9.748 1.00 0.00 C ATOM 263 OG SER A 36 4.429 12.264 -9.631 1.00 0.00 O ATOM 0 H SER A 36 1.539 9.770 -10.383 1.00 0.00 H new ATOM 0 HA SER A 36 3.249 11.385 -11.896 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.397 11.937 -9.634 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.359 10.648 -8.938 1.00 0.00 H new ATOM 0 HG SER A 36 4.397 12.712 -8.760 1.00 0.00 H new ATOM 269 N GLU A 37 5.417 10.240 -12.270 1.00 0.00 N ATOM 270 CA GLU A 37 6.681 9.581 -12.645 1.00 0.00 C ATOM 271 C GLU A 37 7.648 9.514 -11.456 1.00 0.00 C ATOM 272 O GLU A 37 8.347 8.516 -11.282 1.00 0.00 O ATOM 273 CB GLU A 37 7.343 10.361 -13.810 1.00 0.00 C ATOM 274 CG GLU A 37 6.449 10.540 -15.057 1.00 0.00 C ATOM 275 CD GLU A 37 6.991 11.604 -16.031 1.00 0.00 C ATOM 276 OE1 GLU A 37 6.882 12.813 -15.708 1.00 0.00 O ATOM 277 OE2 GLU A 37 7.545 11.250 -17.099 1.00 0.00 O ATOM 0 H GLU A 37 5.209 11.060 -12.840 1.00 0.00 H new ATOM 0 HA GLU A 37 6.456 8.561 -12.958 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.640 11.345 -13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.255 9.842 -14.105 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.364 9.586 -15.578 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.444 10.821 -14.741 1.00 0.00 H new ATOM 284 N GLN A 38 7.646 10.586 -10.635 1.00 0.00 N ATOM 285 CA GLN A 38 8.532 10.724 -9.464 1.00 0.00 C ATOM 286 C GLN A 38 8.231 9.650 -8.398 1.00 0.00 C ATOM 287 O GLN A 38 9.136 9.234 -7.669 1.00 0.00 O ATOM 288 CB GLN A 38 8.408 12.146 -8.863 1.00 0.00 C ATOM 289 CG GLN A 38 8.736 13.279 -9.859 1.00 0.00 C ATOM 290 CD GLN A 38 8.614 14.688 -9.272 1.00 0.00 C ATOM 291 OE1 GLN A 38 8.860 14.906 -8.084 1.00 0.00 O ATOM 292 NE2 GLN A 38 8.226 15.648 -10.097 1.00 0.00 N ATOM 0 H GLN A 38 7.025 11.384 -10.769 1.00 0.00 H new ATOM 0 HA GLN A 38 9.559 10.573 -9.798 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.393 12.285 -8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.075 12.226 -8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.752 13.139 -10.229 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.069 13.197 -10.718 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.031 15.432 -11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.122 16.603 -9.755 1.00 0.00 H new ATOM 301 N LEU A 39 6.960 9.209 -8.323 1.00 0.00 N ATOM 302 CA LEU A 39 6.556 8.082 -7.469 1.00 0.00 C ATOM 303 C LEU A 39 6.901 6.775 -8.226 1.00 0.00 C ATOM 304 O LEU A 39 6.296 6.505 -9.274 1.00 0.00 O ATOM 305 CB LEU A 39 5.030 8.160 -7.134 1.00 0.00 C ATOM 306 CG LEU A 39 4.525 7.384 -5.851 1.00 0.00 C ATOM 307 CD1 LEU A 39 3.054 7.698 -5.572 1.00 0.00 C ATOM 308 CD2 LEU A 39 4.715 5.852 -5.931 1.00 0.00 C ATOM 0 H LEU A 39 6.191 9.623 -8.850 1.00 0.00 H new ATOM 0 HA LEU A 39 7.088 8.112 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.764 9.211 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.477 7.784 -7.995 1.00 0.00 H new ATOM 0 HG LEU A 39 5.150 7.740 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.728 7.154 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.936 8.769 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.449 7.396 -6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.345 5.391 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.160 5.461 -6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.774 5.622 -6.051 1.00 0.00 H new ATOM 320 N PRO A 40 7.882 5.960 -7.724 1.00 0.00 N ATOM 321 CA PRO A 40 8.295 4.702 -8.381 1.00 0.00 C ATOM 322 C PRO A 40 7.223 3.595 -8.282 1.00 0.00 C ATOM 323 O PRO A 40 6.491 3.502 -7.290 1.00 0.00 O ATOM 324 CB PRO A 40 9.607 4.307 -7.640 1.00 0.00 C ATOM 325 CG PRO A 40 9.974 5.505 -6.806 1.00 0.00 C ATOM 326 CD PRO A 40 8.669 6.192 -6.493 1.00 0.00 C ATOM 0 HA PRO A 40 8.438 4.832 -9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.455 3.426 -7.016 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.399 4.064 -8.348 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.489 5.205 -5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.647 6.169 -7.348 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.185 5.764 -5.615 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.807 7.255 -6.294 1.00 0.00 H new ATOM 334 N LYS A 41 7.173 2.759 -9.330 1.00 0.00 N ATOM 335 CA LYS A 41 6.274 1.590 -9.429 1.00 0.00 C ATOM 336 C LYS A 41 6.463 0.608 -8.256 1.00 0.00 C ATOM 337 O LYS A 41 5.510 -0.064 -7.850 1.00 0.00 O ATOM 338 CB LYS A 41 6.520 0.854 -10.775 1.00 0.00 C ATOM 339 CG LYS A 41 6.157 1.683 -12.025 1.00 0.00 C ATOM 340 CD LYS A 41 6.323 0.887 -13.337 1.00 0.00 C ATOM 341 CE LYS A 41 7.780 0.473 -13.623 1.00 0.00 C ATOM 342 NZ LYS A 41 7.872 -0.459 -14.771 1.00 0.00 N ATOM 0 H LYS A 41 7.767 2.876 -10.151 1.00 0.00 H new ATOM 0 HA LYS A 41 5.249 1.959 -9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.571 0.570 -10.834 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.939 -0.068 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.126 2.026 -11.941 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.787 2.572 -12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.701 -0.007 -13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.955 1.489 -14.168 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.377 1.362 -13.828 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.204 0.001 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.775 -0.972 -14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.086 -1.138 -14.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.820 0.079 -15.660 1.00 0.00 H new ATOM 356 N LYS A 42 7.689 0.567 -7.707 1.00 0.00 N ATOM 357 CA LYS A 42 8.043 -0.315 -6.586 1.00 0.00 C ATOM 358 C LYS A 42 7.297 0.073 -5.300 1.00 0.00 C ATOM 359 O LYS A 42 6.901 -0.801 -4.541 1.00 0.00 O ATOM 360 CB LYS A 42 9.581 -0.311 -6.358 1.00 0.00 C ATOM 361 CG LYS A 42 10.204 1.077 -6.113 1.00 0.00 C ATOM 362 CD LYS A 42 11.735 1.039 -5.900 1.00 0.00 C ATOM 363 CE LYS A 42 12.500 0.361 -7.064 1.00 0.00 C ATOM 364 NZ LYS A 42 13.966 0.496 -6.914 1.00 0.00 N ATOM 0 H LYS A 42 8.463 1.147 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 42 7.732 -1.327 -6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.807 -0.949 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.062 -0.759 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.980 1.722 -6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.735 1.527 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.103 2.058 -5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.953 0.508 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.235 -0.696 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.189 0.805 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.441 0.029 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.222 1.504 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.266 0.050 -6.024 1.00 0.00 H new ATOM 378 N ASP A 43 7.106 1.382 -5.079 1.00 0.00 N ATOM 379 CA ASP A 43 6.384 1.892 -3.893 1.00 0.00 C ATOM 380 C ASP A 43 4.902 1.511 -3.940 1.00 0.00 C ATOM 381 O ASP A 43 4.304 1.220 -2.900 1.00 0.00 O ATOM 382 CB ASP A 43 6.553 3.426 -3.750 1.00 0.00 C ATOM 383 CG ASP A 43 7.968 3.814 -3.296 1.00 0.00 C ATOM 384 OD1 ASP A 43 8.906 3.734 -4.110 1.00 0.00 O ATOM 385 OD2 ASP A 43 8.157 4.165 -2.107 1.00 0.00 O ATOM 0 H ASP A 43 7.441 2.113 -5.706 1.00 0.00 H new ATOM 0 HA ASP A 43 6.824 1.422 -3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.336 3.904 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.826 3.804 -3.031 1.00 0.00 H new ATOM 390 N ILE A 44 4.331 1.497 -5.159 1.00 0.00 N ATOM 391 CA ILE A 44 2.926 1.109 -5.378 1.00 0.00 C ATOM 392 C ILE A 44 2.739 -0.383 -5.027 1.00 0.00 C ATOM 393 O ILE A 44 1.899 -0.728 -4.201 1.00 0.00 O ATOM 394 CB ILE A 44 2.468 1.380 -6.863 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.833 2.837 -7.304 1.00 0.00 C ATOM 396 CG2 ILE A 44 0.948 1.111 -7.033 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.506 3.171 -8.756 1.00 0.00 C ATOM 0 H ILE A 44 4.826 1.752 -6.013 1.00 0.00 H new ATOM 0 HA ILE A 44 2.302 1.721 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 44 3.005 0.689 -7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.306 3.539 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.900 2.993 -7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.657 1.305 -8.065 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.732 0.072 -6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.386 1.767 -6.368 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.795 4.201 -8.966 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.054 2.498 -9.416 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.436 3.053 -8.924 1.00 0.00 H new ATOM 409 N ILE A 45 3.567 -1.249 -5.649 1.00 0.00 N ATOM 410 CA ILE A 45 3.559 -2.712 -5.400 1.00 0.00 C ATOM 411 C ILE A 45 3.815 -3.023 -3.912 1.00 0.00 C ATOM 412 O ILE A 45 3.178 -3.903 -3.349 1.00 0.00 O ATOM 413 CB ILE A 45 4.645 -3.436 -6.284 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.353 -3.198 -7.792 1.00 0.00 C ATOM 415 CG2 ILE A 45 4.750 -4.955 -5.972 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.351 -3.822 -8.748 1.00 0.00 C ATOM 0 H ILE A 45 4.260 -0.957 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 45 2.571 -3.085 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 45 5.612 -3.000 -6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.362 -3.589 -8.020 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.321 -2.124 -7.975 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.512 -5.405 -6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.022 -5.094 -4.926 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.789 -5.433 -6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.060 -3.599 -9.774 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.343 -3.414 -8.556 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.368 -4.902 -8.602 1.00 0.00 H new ATOM 428 N LYS A 46 4.732 -2.259 -3.300 1.00 0.00 N ATOM 429 CA LYS A 46 5.105 -2.393 -1.876 1.00 0.00 C ATOM 430 C LYS A 46 3.884 -2.166 -0.965 1.00 0.00 C ATOM 431 O LYS A 46 3.665 -2.904 -0.010 1.00 0.00 O ATOM 432 CB LYS A 46 6.224 -1.381 -1.541 1.00 0.00 C ATOM 433 CG LYS A 46 6.711 -1.371 -0.073 1.00 0.00 C ATOM 434 CD LYS A 46 7.823 -0.319 0.166 1.00 0.00 C ATOM 435 CE LYS A 46 7.364 1.114 -0.180 1.00 0.00 C ATOM 436 NZ LYS A 46 8.461 2.101 -0.089 1.00 0.00 N ATOM 0 H LYS A 46 5.244 -1.520 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 46 5.469 -3.405 -1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.079 -1.588 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.870 -0.381 -1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.868 -1.163 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.086 -2.360 0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.135 -0.355 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.695 -0.573 -0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.953 1.126 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.560 1.407 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.337 2.826 -0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.446 2.551 0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.373 1.620 -0.227 1.00 0.00 H new ATOM 450 N PHE A 47 3.102 -1.132 -1.313 1.00 0.00 N ATOM 451 CA PHE A 47 1.852 -0.784 -0.617 1.00 0.00 C ATOM 452 C PHE A 47 0.800 -1.909 -0.773 1.00 0.00 C ATOM 453 O PHE A 47 0.171 -2.341 0.207 1.00 0.00 O ATOM 454 CB PHE A 47 1.311 0.561 -1.181 1.00 0.00 C ATOM 455 CG PHE A 47 -0.103 0.927 -0.732 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.416 0.996 0.618 1.00 0.00 C ATOM 457 CD2 PHE A 47 -1.124 1.159 -1.655 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.691 1.299 1.040 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.403 1.459 -1.230 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.687 1.524 0.122 1.00 0.00 C ATOM 0 H PHE A 47 3.320 -0.509 -2.091 1.00 0.00 H new ATOM 0 HA PHE A 47 2.055 -0.672 0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.989 1.361 -0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.330 0.515 -2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.355 0.809 1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.911 1.103 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.908 1.360 2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.183 1.643 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.689 1.751 0.455 1.00 0.00 H new ATOM 470 N LEU A 48 0.642 -2.375 -2.014 1.00 0.00 N ATOM 471 CA LEU A 48 -0.383 -3.362 -2.392 1.00 0.00 C ATOM 472 C LEU A 48 -0.065 -4.759 -1.828 1.00 0.00 C ATOM 473 O LEU A 48 -0.979 -5.524 -1.548 1.00 0.00 O ATOM 474 CB LEU A 48 -0.532 -3.395 -3.932 1.00 0.00 C ATOM 475 CG LEU A 48 -0.942 -2.040 -4.598 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.968 -2.154 -6.135 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.289 -1.524 -4.052 1.00 0.00 C ATOM 0 H LEU A 48 1.226 -2.077 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.333 -3.058 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.414 -3.721 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.277 -4.147 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.181 -1.306 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.257 -1.195 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.022 -2.431 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.688 -2.917 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.541 -0.581 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.069 -2.257 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.210 -1.368 -2.976 1.00 0.00 H new ATOM 489 N GLN A 49 1.233 -5.084 -1.669 1.00 0.00 N ATOM 490 CA GLN A 49 1.668 -6.377 -1.091 1.00 0.00 C ATOM 491 C GLN A 49 1.674 -6.317 0.444 1.00 0.00 C ATOM 492 O GLN A 49 1.521 -7.351 1.112 1.00 0.00 O ATOM 493 CB GLN A 49 3.053 -6.819 -1.647 1.00 0.00 C ATOM 494 CG GLN A 49 4.250 -5.999 -1.136 1.00 0.00 C ATOM 495 CD GLN A 49 5.616 -6.469 -1.644 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.608 -6.348 -0.936 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.697 -6.973 -2.872 1.00 0.00 N ATOM 0 H GLN A 49 2.003 -4.469 -1.933 1.00 0.00 H new ATOM 0 HA GLN A 49 0.945 -7.134 -1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.213 -7.866 -1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.027 -6.757 -2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.109 -4.958 -1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.254 -6.029 -0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.856 -7.064 -3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.600 -7.269 -3.243 1.00 0.00 H new ATOM 506 N GLU A 50 1.872 -5.096 0.983 1.00 0.00 N ATOM 507 CA GLU A 50 1.906 -4.826 2.433 1.00 0.00 C ATOM 508 C GLU A 50 0.614 -5.288 3.122 1.00 0.00 C ATOM 509 O GLU A 50 0.661 -5.828 4.230 1.00 0.00 O ATOM 510 CB GLU A 50 2.169 -3.305 2.670 1.00 0.00 C ATOM 511 CG GLU A 50 2.049 -2.787 4.122 1.00 0.00 C ATOM 512 CD GLU A 50 2.908 -3.551 5.139 1.00 0.00 C ATOM 513 OE1 GLU A 50 4.147 -3.562 4.999 1.00 0.00 O ATOM 514 OE2 GLU A 50 2.345 -4.155 6.075 1.00 0.00 O ATOM 0 H GLU A 50 2.014 -4.261 0.415 1.00 0.00 H new ATOM 0 HA GLU A 50 2.719 -5.398 2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.172 -3.075 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.472 -2.741 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.331 -1.734 4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.005 -2.844 4.430 1.00 0.00 H new ATOM 521 N HIS A 51 -0.536 -5.124 2.452 1.00 0.00 N ATOM 522 CA HIS A 51 -1.837 -5.484 3.048 1.00 0.00 C ATOM 523 C HIS A 51 -2.691 -6.359 2.134 1.00 0.00 C ATOM 524 O HIS A 51 -3.550 -7.063 2.635 1.00 0.00 O ATOM 525 CB HIS A 51 -2.591 -4.214 3.511 1.00 0.00 C ATOM 526 CG HIS A 51 -1.966 -3.591 4.732 1.00 0.00 C ATOM 527 ND1 HIS A 51 -1.495 -2.300 4.787 1.00 0.00 N ATOM 528 CD2 HIS A 51 -1.722 -4.125 5.950 1.00 0.00 C ATOM 529 CE1 HIS A 51 -0.989 -2.072 5.985 1.00 0.00 C ATOM 530 NE2 HIS A 51 -1.114 -3.162 6.704 1.00 0.00 N ATOM 0 H HIS A 51 -0.595 -4.748 1.506 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.631 -6.097 3.926 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.603 -3.486 2.700 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.629 -4.469 3.727 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.963 -5.128 6.268 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -0.547 -1.144 6.317 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -0.807 -3.273 7.670 1.00 0.00 H new ATOM 539 N GLY A 52 -2.441 -6.350 0.816 1.00 0.00 N ATOM 540 CA GLY A 52 -3.166 -7.226 -0.122 1.00 0.00 C ATOM 541 C GLY A 52 -2.979 -8.712 0.189 1.00 0.00 C ATOM 542 O GLY A 52 -1.857 -9.140 0.498 1.00 0.00 O ATOM 0 H GLY A 52 -1.745 -5.749 0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.228 -6.984 -0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.823 -7.026 -1.137 1.00 0.00 H new ATOM 546 N SER A 53 -4.086 -9.482 0.131 1.00 0.00 N ATOM 547 CA SER A 53 -4.084 -10.941 0.384 1.00 0.00 C ATOM 548 C SER A 53 -3.246 -11.677 -0.676 1.00 0.00 C ATOM 549 O SER A 53 -3.059 -11.171 -1.779 1.00 0.00 O ATOM 550 CB SER A 53 -5.537 -11.475 0.399 1.00 0.00 C ATOM 551 OG SER A 53 -5.575 -12.865 0.674 1.00 0.00 O ATOM 0 H SER A 53 -5.009 -9.110 -0.093 1.00 0.00 H new ATOM 0 HA SER A 53 -3.631 -11.127 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.116 -10.938 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.008 -11.280 -0.565 1.00 0.00 H new ATOM 0 HG SER A 53 -6.506 -13.172 0.678 1.00 0.00 H new ATOM 557 N ASP A 54 -2.797 -12.898 -0.334 1.00 0.00 N ATOM 558 CA ASP A 54 -1.836 -13.673 -1.155 1.00 0.00 C ATOM 559 C ASP A 54 -2.454 -14.085 -2.504 1.00 0.00 C ATOM 560 O ASP A 54 -1.742 -14.224 -3.502 1.00 0.00 O ATOM 561 CB ASP A 54 -1.328 -14.923 -0.378 1.00 0.00 C ATOM 562 CG ASP A 54 -2.386 -16.037 -0.213 1.00 0.00 C ATOM 563 OD1 ASP A 54 -3.416 -15.793 0.439 1.00 0.00 O ATOM 564 OD2 ASP A 54 -2.193 -17.148 -0.758 1.00 0.00 O ATOM 0 H ASP A 54 -3.087 -13.379 0.517 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.983 -13.027 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.462 -15.333 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.988 -14.610 0.609 1.00 0.00 H new ATOM 569 N SER A 55 -3.791 -14.269 -2.508 1.00 0.00 N ATOM 570 CA SER A 55 -4.568 -14.568 -3.723 1.00 0.00 C ATOM 571 C SER A 55 -4.663 -13.324 -4.630 1.00 0.00 C ATOM 572 O SER A 55 -4.579 -13.440 -5.850 1.00 0.00 O ATOM 573 CB SER A 55 -5.981 -15.053 -3.343 1.00 0.00 C ATOM 574 OG SER A 55 -6.772 -15.298 -4.491 1.00 0.00 O ATOM 0 H SER A 55 -4.361 -14.214 -1.664 1.00 0.00 H new ATOM 0 HA SER A 55 -4.056 -15.358 -4.272 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.907 -15.965 -2.750 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.468 -14.305 -2.718 1.00 0.00 H new ATOM 0 HG SER A 55 -7.661 -15.605 -4.216 1.00 0.00 H new ATOM 580 N PHE A 56 -4.818 -12.138 -4.008 1.00 0.00 N ATOM 581 CA PHE A 56 -4.813 -10.844 -4.724 1.00 0.00 C ATOM 582 C PHE A 56 -3.430 -10.630 -5.372 1.00 0.00 C ATOM 583 O PHE A 56 -3.327 -10.251 -6.540 1.00 0.00 O ATOM 584 CB PHE A 56 -5.171 -9.686 -3.743 1.00 0.00 C ATOM 585 CG PHE A 56 -4.921 -8.273 -4.290 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.776 -7.702 -5.233 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.823 -7.518 -3.860 1.00 0.00 C ATOM 588 CE1 PHE A 56 -5.543 -6.429 -5.722 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.592 -6.250 -4.350 1.00 0.00 C ATOM 590 CZ PHE A 56 -4.452 -5.706 -5.280 1.00 0.00 C ATOM 0 H PHE A 56 -4.950 -12.049 -3.000 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.567 -10.851 -5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.223 -9.773 -3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.593 -9.813 -2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.630 -8.261 -5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.145 -7.936 -3.131 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.215 -6.000 -6.450 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.739 -5.684 -4.006 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.272 -4.713 -5.664 1.00 0.00 H new ATOM 600 N LEU A 57 -2.380 -10.924 -4.590 1.00 0.00 N ATOM 601 CA LEU A 57 -0.987 -10.759 -5.013 1.00 0.00 C ATOM 602 C LEU A 57 -0.625 -11.756 -6.118 1.00 0.00 C ATOM 603 O LEU A 57 0.216 -11.459 -6.954 1.00 0.00 O ATOM 604 CB LEU A 57 -0.026 -10.908 -3.809 1.00 0.00 C ATOM 605 CG LEU A 57 -0.253 -9.915 -2.629 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.832 -10.073 -1.545 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.353 -8.460 -3.132 1.00 0.00 C ATOM 0 H LEU A 57 -2.478 -11.285 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.878 -9.753 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.111 -11.924 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.996 -10.788 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.208 -10.163 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.644 -9.366 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.808 -11.089 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.812 -9.875 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.511 -7.792 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.571 -8.187 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.190 -8.371 -3.825 1.00 0.00 H new ATOM 619 N ALA A 58 -1.244 -12.949 -6.094 1.00 0.00 N ATOM 620 CA ALA A 58 -1.032 -13.983 -7.120 1.00 0.00 C ATOM 621 C ALA A 58 -1.675 -13.581 -8.455 1.00 0.00 C ATOM 622 O ALA A 58 -1.021 -13.610 -9.499 1.00 0.00 O ATOM 623 CB ALA A 58 -1.586 -15.331 -6.631 1.00 0.00 C ATOM 0 H ALA A 58 -1.903 -13.222 -5.365 1.00 0.00 H new ATOM 0 HA ALA A 58 0.040 -14.084 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.425 -16.090 -7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.073 -15.625 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.654 -15.236 -6.434 1.00 0.00 H new ATOM 629 N GLU A 59 -2.948 -13.178 -8.411 1.00 0.00 N ATOM 630 CA GLU A 59 -3.713 -12.827 -9.625 1.00 0.00 C ATOM 631 C GLU A 59 -3.281 -11.465 -10.219 1.00 0.00 C ATOM 632 O GLU A 59 -3.592 -11.167 -11.380 1.00 0.00 O ATOM 633 CB GLU A 59 -5.228 -12.846 -9.304 1.00 0.00 C ATOM 634 CG GLU A 59 -5.745 -14.189 -8.735 1.00 0.00 C ATOM 635 CD GLU A 59 -5.391 -15.406 -9.611 1.00 0.00 C ATOM 636 OE1 GLU A 59 -6.018 -15.584 -10.681 1.00 0.00 O ATOM 637 OE2 GLU A 59 -4.467 -16.178 -9.255 1.00 0.00 O ATOM 0 H GLU A 59 -3.479 -13.084 -7.545 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.498 -13.574 -10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.445 -12.054 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.782 -12.613 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.329 -14.336 -7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.828 -14.134 -8.624 1.00 0.00 H new ATOM 644 N HIS A 60 -2.562 -10.639 -9.425 1.00 0.00 N ATOM 645 CA HIS A 60 -2.022 -9.331 -9.887 1.00 0.00 C ATOM 646 C HIS A 60 -0.473 -9.328 -9.917 1.00 0.00 C ATOM 647 O HIS A 60 0.139 -8.302 -10.233 1.00 0.00 O ATOM 648 CB HIS A 60 -2.556 -8.180 -8.991 1.00 0.00 C ATOM 649 CG HIS A 60 -4.049 -7.972 -9.068 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.628 -6.884 -9.674 1.00 0.00 N ATOM 651 CD2 HIS A 60 -5.077 -8.714 -8.600 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.936 -6.966 -9.577 1.00 0.00 C ATOM 653 NE2 HIS A 60 -6.238 -8.066 -8.931 1.00 0.00 N ATOM 0 H HIS A 60 -2.339 -10.854 -8.453 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.367 -9.171 -10.908 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.283 -8.385 -7.956 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.057 -7.253 -9.275 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.998 -9.648 -8.063 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.643 -6.248 -9.964 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.181 -8.386 -8.711 1.00 0.00 H new ATOM 662 N LYS A 61 0.131 -10.482 -9.556 1.00 0.00 N ATOM 663 CA LYS A 61 1.602 -10.728 -9.628 1.00 0.00 C ATOM 664 C LYS A 61 2.430 -9.713 -8.798 1.00 0.00 C ATOM 665 O LYS A 61 3.592 -9.461 -9.106 1.00 0.00 O ATOM 666 CB LYS A 61 2.072 -10.781 -11.114 1.00 0.00 C ATOM 667 CG LYS A 61 1.347 -11.845 -11.969 1.00 0.00 C ATOM 668 CD LYS A 61 1.506 -13.279 -11.405 1.00 0.00 C ATOM 669 CE LYS A 61 0.683 -14.324 -12.179 1.00 0.00 C ATOM 670 NZ LYS A 61 0.769 -15.656 -11.543 1.00 0.00 N ATOM 0 H LYS A 61 -0.390 -11.284 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 61 1.787 -11.700 -9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.920 -9.801 -11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.143 -10.980 -11.138 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.287 -11.598 -12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.737 -11.814 -12.986 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.559 -13.560 -11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.202 -13.288 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.359 -14.008 -12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.043 -14.385 -13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.204 -16.338 -12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.761 -15.967 -11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.402 -15.601 -10.571 1.00 0.00 H new ATOM 684 N LEU A 62 1.833 -9.215 -7.699 1.00 0.00 N ATOM 685 CA LEU A 62 2.442 -8.176 -6.827 1.00 0.00 C ATOM 686 C LEU A 62 3.278 -8.795 -5.689 1.00 0.00 C ATOM 687 O LEU A 62 3.931 -8.067 -4.933 1.00 0.00 O ATOM 688 CB LEU A 62 1.329 -7.282 -6.232 1.00 0.00 C ATOM 689 CG LEU A 62 0.419 -6.565 -7.270 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.769 -5.881 -6.588 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.223 -5.568 -8.142 1.00 0.00 C ATOM 0 H LEU A 62 0.912 -9.519 -7.384 1.00 0.00 H new ATOM 0 HA LEU A 62 3.115 -7.578 -7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.701 -7.896 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.794 -6.526 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 62 0.021 -7.329 -7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.386 -5.389 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.365 -6.626 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.403 -5.140 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.554 -5.087 -8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.678 -4.811 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.003 -6.104 -8.682 1.00 0.00 H new ATOM 703 N LEU A 63 3.225 -10.131 -5.553 1.00 0.00 N ATOM 704 CA LEU A 63 4.017 -10.871 -4.549 1.00 0.00 C ATOM 705 C LEU A 63 5.501 -10.962 -4.949 1.00 0.00 C ATOM 706 O LEU A 63 5.891 -10.561 -6.053 1.00 0.00 O ATOM 707 CB LEU A 63 3.394 -12.285 -4.278 1.00 0.00 C ATOM 708 CG LEU A 63 2.829 -13.092 -5.505 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.911 -13.514 -6.517 1.00 0.00 C ATOM 710 CD2 LEU A 63 2.017 -14.306 -5.016 1.00 0.00 C ATOM 0 H LEU A 63 2.635 -10.729 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 63 3.980 -10.311 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.156 -12.899 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.584 -12.161 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 63 2.170 -12.415 -6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.448 -14.066 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.406 -12.627 -6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.645 -14.149 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.632 -14.856 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.659 -14.959 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.185 -13.963 -4.401 1.00 0.00 H new ATOM 722 N GLY A 64 6.312 -11.504 -4.028 1.00 0.00 N ATOM 723 CA GLY A 64 7.738 -11.703 -4.248 1.00 0.00 C ATOM 724 C GLY A 64 8.555 -10.455 -3.986 1.00 0.00 C ATOM 725 O GLY A 64 8.065 -9.497 -3.358 1.00 0.00 O ATOM 0 H GLY A 64 5.990 -11.814 -3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.092 -12.505 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.900 -12.028 -5.276 1.00 0.00 H new ATOM 729 N ASN A 65 9.813 -10.479 -4.446 1.00 0.00 N ATOM 730 CA ASN A 65 10.725 -9.335 -4.341 1.00 0.00 C ATOM 731 C ASN A 65 10.221 -8.207 -5.256 1.00 0.00 C ATOM 732 O ASN A 65 10.032 -8.421 -6.464 1.00 0.00 O ATOM 733 CB ASN A 65 12.165 -9.761 -4.717 1.00 0.00 C ATOM 734 CG ASN A 65 13.244 -8.725 -4.359 1.00 0.00 C ATOM 735 OD1 ASN A 65 13.010 -7.515 -4.356 1.00 0.00 O ATOM 736 ND2 ASN A 65 14.442 -9.196 -4.058 1.00 0.00 N ATOM 0 H ASN A 65 10.226 -11.293 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 65 10.747 -8.972 -3.313 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.397 -10.699 -4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.206 -9.956 -5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.197 -8.554 -3.816 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.612 -10.202 -4.067 1.00 0.00 H new ATOM 743 N ILE A 66 10.027 -7.025 -4.660 1.00 0.00 N ATOM 744 CA ILE A 66 9.350 -5.887 -5.306 1.00 0.00 C ATOM 745 C ILE A 66 10.062 -5.463 -6.605 1.00 0.00 C ATOM 746 O ILE A 66 9.430 -5.398 -7.639 1.00 0.00 O ATOM 747 CB ILE A 66 9.268 -4.642 -4.353 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.729 -5.033 -2.951 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.398 -3.528 -4.973 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.845 -3.934 -1.915 1.00 0.00 C ATOM 0 H ILE A 66 10.337 -6.826 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 66 8.342 -6.230 -5.541 1.00 0.00 H new ATOM 0 HB ILE A 66 10.281 -4.261 -4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.682 -5.321 -3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.271 -5.910 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.357 -2.677 -4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.832 -3.214 -5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.390 -3.906 -5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.447 -4.287 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.893 -3.660 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.279 -3.063 -2.244 1.00 0.00 H new ATOM 762 N LYS A 67 11.384 -5.204 -6.515 1.00 0.00 N ATOM 763 CA LYS A 67 12.193 -4.622 -7.621 1.00 0.00 C ATOM 764 C LYS A 67 12.180 -5.488 -8.897 1.00 0.00 C ATOM 765 O LYS A 67 12.194 -4.959 -10.016 1.00 0.00 O ATOM 766 CB LYS A 67 13.648 -4.383 -7.144 1.00 0.00 C ATOM 767 CG LYS A 67 14.386 -5.638 -6.629 1.00 0.00 C ATOM 768 CD LYS A 67 15.781 -5.309 -6.055 1.00 0.00 C ATOM 769 CE LYS A 67 16.471 -6.536 -5.440 1.00 0.00 C ATOM 770 NZ LYS A 67 16.701 -7.605 -6.440 1.00 0.00 N ATOM 0 H LYS A 67 11.927 -5.391 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 67 11.732 -3.671 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.219 -3.959 -7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.635 -3.637 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.784 -6.119 -5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.492 -6.354 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.409 -4.903 -6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.684 -4.533 -5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.424 -6.235 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.859 -6.926 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.228 -8.385 -5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.786 -7.958 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.250 -7.223 -7.237 1.00 0.00 H new ATOM 784 N ASN A 68 12.143 -6.819 -8.699 1.00 0.00 N ATOM 785 CA ASN A 68 12.101 -7.802 -9.795 1.00 0.00 C ATOM 786 C ASN A 68 10.783 -7.669 -10.574 1.00 0.00 C ATOM 787 O ASN A 68 10.770 -7.642 -11.806 1.00 0.00 O ATOM 788 CB ASN A 68 12.263 -9.237 -9.220 1.00 0.00 C ATOM 789 CG ASN A 68 12.271 -10.342 -10.287 1.00 0.00 C ATOM 790 OD1 ASN A 68 12.719 -10.139 -11.417 1.00 0.00 O ATOM 791 ND2 ASN A 68 11.798 -11.528 -9.927 1.00 0.00 N ATOM 0 H ASN A 68 12.141 -7.243 -7.771 1.00 0.00 H new ATOM 0 HA ASN A 68 12.924 -7.610 -10.484 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.193 -9.287 -8.653 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.451 -9.430 -8.519 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.799 -12.301 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.433 -11.667 -8.985 1.00 0.00 H new ATOM 798 N VAL A 69 9.685 -7.559 -9.819 1.00 0.00 N ATOM 799 CA VAL A 69 8.340 -7.384 -10.376 1.00 0.00 C ATOM 800 C VAL A 69 8.177 -5.976 -10.992 1.00 0.00 C ATOM 801 O VAL A 69 7.698 -5.844 -12.109 1.00 0.00 O ATOM 802 CB VAL A 69 7.243 -7.612 -9.268 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.812 -7.392 -9.822 1.00 0.00 C ATOM 804 CG2 VAL A 69 7.384 -9.022 -8.632 1.00 0.00 C ATOM 0 H VAL A 69 9.705 -7.589 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 69 8.207 -8.127 -11.162 1.00 0.00 H new ATOM 0 HB VAL A 69 7.406 -6.868 -8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.085 -7.559 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.718 -6.371 -10.192 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.626 -8.092 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.616 -9.156 -7.870 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.266 -9.783 -9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.369 -9.118 -8.175 1.00 0.00 H new ATOM 814 N ALA A 70 8.675 -4.960 -10.272 1.00 0.00 N ATOM 815 CA ALA A 70 8.399 -3.529 -10.525 1.00 0.00 C ATOM 816 C ALA A 70 8.827 -3.087 -11.922 1.00 0.00 C ATOM 817 O ALA A 70 8.036 -2.482 -12.646 1.00 0.00 O ATOM 818 CB ALA A 70 9.073 -2.660 -9.445 1.00 0.00 C ATOM 0 H ALA A 70 9.297 -5.109 -9.477 1.00 0.00 H new ATOM 0 HA ALA A 70 7.319 -3.393 -10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.863 -1.608 -9.641 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.683 -2.931 -8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.150 -2.825 -9.465 1.00 0.00 H new ATOM 824 N LYS A 71 10.074 -3.404 -12.283 1.00 0.00 N ATOM 825 CA LYS A 71 10.654 -3.050 -13.584 1.00 0.00 C ATOM 826 C LYS A 71 9.792 -3.574 -14.771 1.00 0.00 C ATOM 827 O LYS A 71 9.494 -2.822 -15.706 1.00 0.00 O ATOM 828 CB LYS A 71 12.114 -3.583 -13.671 1.00 0.00 C ATOM 829 CG LYS A 71 12.254 -5.119 -13.514 1.00 0.00 C ATOM 830 CD LYS A 71 13.707 -5.626 -13.664 1.00 0.00 C ATOM 831 CE LYS A 71 14.650 -5.123 -12.557 1.00 0.00 C ATOM 832 NZ LYS A 71 16.035 -5.643 -12.724 1.00 0.00 N ATOM 0 H LYS A 71 10.715 -3.917 -11.677 1.00 0.00 H new ATOM 0 HA LYS A 71 10.667 -1.963 -13.665 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.537 -3.290 -14.632 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.710 -3.097 -12.899 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.875 -5.412 -12.535 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.628 -5.611 -14.258 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.705 -6.716 -13.661 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.095 -5.310 -14.632 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.669 -4.033 -12.565 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.263 -5.428 -11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.637 -5.280 -11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.022 -6.682 -12.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.415 -5.330 -13.640 1.00 0.00 H new ATOM 846 N THR A 72 9.353 -4.847 -14.684 1.00 0.00 N ATOM 847 CA THR A 72 8.635 -5.543 -15.774 1.00 0.00 C ATOM 848 C THR A 72 7.101 -5.409 -15.631 1.00 0.00 C ATOM 849 O THR A 72 6.353 -5.775 -16.545 1.00 0.00 O ATOM 850 CB THR A 72 9.048 -7.056 -15.831 1.00 0.00 C ATOM 851 OG1 THR A 72 8.463 -7.700 -16.982 1.00 0.00 O ATOM 852 CG2 THR A 72 8.649 -7.825 -14.554 1.00 0.00 C ATOM 0 H THR A 72 9.487 -5.424 -13.853 1.00 0.00 H new ATOM 0 HA THR A 72 8.922 -5.063 -16.710 1.00 0.00 H new ATOM 0 HB THR A 72 10.135 -7.079 -15.909 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.690 -7.182 -17.289 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.957 -8.866 -14.645 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.139 -7.376 -13.690 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.568 -7.777 -14.423 1.00 0.00 H new ATOM 860 N ALA A 73 6.642 -4.886 -14.483 1.00 0.00 N ATOM 861 CA ALA A 73 5.224 -4.563 -14.254 1.00 0.00 C ATOM 862 C ALA A 73 4.993 -3.099 -14.617 1.00 0.00 C ATOM 863 O ALA A 73 5.618 -2.210 -14.024 1.00 0.00 O ATOM 864 CB ALA A 73 4.821 -4.823 -12.793 1.00 0.00 C ATOM 0 H ALA A 73 7.244 -4.675 -13.687 1.00 0.00 H new ATOM 0 HA ALA A 73 4.605 -5.206 -14.881 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.768 -4.575 -12.656 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.980 -5.874 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.428 -4.204 -12.132 1.00 0.00 H new ATOM 870 N ASN A 74 4.135 -2.844 -15.616 1.00 0.00 N ATOM 871 CA ASN A 74 3.787 -1.471 -16.004 1.00 0.00 C ATOM 872 C ASN A 74 2.852 -0.857 -14.956 1.00 0.00 C ATOM 873 O ASN A 74 2.061 -1.567 -14.319 1.00 0.00 O ATOM 874 CB ASN A 74 3.177 -1.403 -17.434 1.00 0.00 C ATOM 875 CG ASN A 74 1.845 -2.142 -17.615 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.570 -3.141 -16.948 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.023 -1.668 -18.542 1.00 0.00 N ATOM 0 H ASN A 74 3.672 -3.567 -16.167 1.00 0.00 H new ATOM 0 HA ASN A 74 4.704 -0.883 -16.039 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.032 -0.356 -17.700 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.900 -1.813 -18.139 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.133 -2.133 -18.720 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.281 -0.839 -19.077 1.00 0.00 H new ATOM 884 N LYS A 75 2.962 0.466 -14.782 1.00 0.00 N ATOM 885 CA LYS A 75 2.238 1.211 -13.745 1.00 0.00 C ATOM 886 C LYS A 75 0.716 1.146 -13.975 1.00 0.00 C ATOM 887 O LYS A 75 -0.062 1.210 -13.027 1.00 0.00 O ATOM 888 CB LYS A 75 2.750 2.669 -13.696 1.00 0.00 C ATOM 889 CG LYS A 75 2.127 3.531 -12.582 1.00 0.00 C ATOM 890 CD LYS A 75 2.798 4.914 -12.439 1.00 0.00 C ATOM 891 CE LYS A 75 4.222 4.851 -11.852 1.00 0.00 C ATOM 892 NZ LYS A 75 4.782 6.204 -11.620 1.00 0.00 N ATOM 0 H LYS A 75 3.561 1.054 -15.362 1.00 0.00 H new ATOM 0 HA LYS A 75 2.430 0.749 -12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.832 2.656 -13.565 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.551 3.142 -14.658 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.066 3.668 -12.788 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.201 2.998 -11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.838 5.392 -13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.179 5.545 -11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.204 4.299 -10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.872 4.300 -12.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.481 6.163 -10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.243 6.543 -12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.016 6.857 -11.358 1.00 0.00 H new ATOM 906 N ASP A 76 0.322 0.966 -15.243 1.00 0.00 N ATOM 907 CA ASP A 76 -1.081 0.830 -15.663 1.00 0.00 C ATOM 908 C ASP A 76 -1.755 -0.381 -14.982 1.00 0.00 C ATOM 909 O ASP A 76 -2.908 -0.295 -14.529 1.00 0.00 O ATOM 910 CB ASP A 76 -1.138 0.704 -17.205 1.00 0.00 C ATOM 911 CG ASP A 76 -2.568 0.558 -17.749 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.282 1.581 -17.850 1.00 0.00 O ATOM 913 OD2 ASP A 76 -2.982 -0.580 -18.064 1.00 0.00 O ATOM 0 H ASP A 76 0.980 0.910 -16.020 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.633 1.718 -15.354 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.674 1.583 -17.652 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.549 -0.159 -17.514 1.00 0.00 H new ATOM 918 N HIS A 77 -1.000 -1.490 -14.885 1.00 0.00 N ATOM 919 CA HIS A 77 -1.426 -2.718 -14.189 1.00 0.00 C ATOM 920 C HIS A 77 -1.558 -2.451 -12.679 1.00 0.00 C ATOM 921 O HIS A 77 -2.486 -2.938 -12.033 1.00 0.00 O ATOM 922 CB HIS A 77 -0.391 -3.843 -14.457 1.00 0.00 C ATOM 923 CG HIS A 77 -0.691 -5.169 -13.810 1.00 0.00 C ATOM 924 ND1 HIS A 77 -1.535 -6.099 -14.371 1.00 0.00 N ATOM 925 CD2 HIS A 77 -0.227 -5.733 -12.668 1.00 0.00 C ATOM 926 CE1 HIS A 77 -1.571 -7.172 -13.615 1.00 0.00 C ATOM 927 NE2 HIS A 77 -0.787 -6.984 -12.575 1.00 0.00 N ATOM 0 H HIS A 77 -0.067 -1.560 -15.292 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.399 -3.033 -14.565 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -0.315 -3.993 -15.534 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.586 -3.503 -14.113 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.456 -5.283 -11.963 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -2.149 -8.062 -13.814 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.622 -7.655 -11.825 1.00 0.00 H new ATOM 936 N LEU A 78 -0.616 -1.659 -12.140 1.00 0.00 N ATOM 937 CA LEU A 78 -0.516 -1.385 -10.688 1.00 0.00 C ATOM 938 C LEU A 78 -1.670 -0.510 -10.188 1.00 0.00 C ATOM 939 O LEU A 78 -2.144 -0.687 -9.069 1.00 0.00 O ATOM 940 CB LEU A 78 0.822 -0.697 -10.350 1.00 0.00 C ATOM 941 CG LEU A 78 2.100 -1.362 -10.927 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.348 -0.638 -10.419 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.150 -2.877 -10.636 1.00 0.00 C ATOM 0 H LEU A 78 0.099 -1.189 -12.694 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.570 -2.350 -10.184 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.779 0.331 -10.709 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.919 -0.652 -9.265 1.00 0.00 H new ATOM 0 HG LEU A 78 2.070 -1.265 -12.012 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.238 -1.114 -10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.316 0.405 -10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.380 -0.689 -9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.062 -3.299 -11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.140 -3.041 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.284 -3.363 -11.085 1.00 0.00 H new ATOM 955 N VAL A 79 -2.090 0.444 -11.036 1.00 0.00 N ATOM 956 CA VAL A 79 -3.219 1.343 -10.762 1.00 0.00 C ATOM 957 C VAL A 79 -4.534 0.537 -10.754 1.00 0.00 C ATOM 958 O VAL A 79 -5.377 0.721 -9.873 1.00 0.00 O ATOM 959 CB VAL A 79 -3.281 2.524 -11.811 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.545 3.386 -11.612 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.004 3.408 -11.728 1.00 0.00 C ATOM 0 H VAL A 79 -1.649 0.613 -11.940 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.076 1.793 -9.780 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.329 2.078 -12.804 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.557 4.189 -12.349 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.432 2.765 -11.737 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.540 3.814 -10.609 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.071 4.213 -12.459 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.920 3.832 -10.728 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.125 2.799 -11.939 1.00 0.00 H new ATOM 971 N THR A 80 -4.676 -0.380 -11.730 1.00 0.00 N ATOM 972 CA THR A 80 -5.825 -1.305 -11.800 1.00 0.00 C ATOM 973 C THR A 80 -5.879 -2.208 -10.543 1.00 0.00 C ATOM 974 O THR A 80 -6.949 -2.430 -9.971 1.00 0.00 O ATOM 975 CB THR A 80 -5.766 -2.179 -13.097 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.679 -1.325 -14.250 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.996 -3.100 -13.244 1.00 0.00 C ATOM 0 H THR A 80 -4.003 -0.501 -12.487 1.00 0.00 H new ATOM 0 HA THR A 80 -6.734 -0.705 -11.835 1.00 0.00 H new ATOM 0 HB THR A 80 -4.883 -2.813 -13.019 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.760 -0.999 -14.347 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.906 -3.684 -14.160 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.051 -3.773 -12.388 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.901 -2.494 -13.288 1.00 0.00 H new ATOM 985 N ALA A 81 -4.704 -2.673 -10.089 1.00 0.00 N ATOM 986 CA ALA A 81 -4.570 -3.498 -8.875 1.00 0.00 C ATOM 987 C ALA A 81 -4.951 -2.696 -7.618 1.00 0.00 C ATOM 988 O ALA A 81 -5.645 -3.198 -6.723 1.00 0.00 O ATOM 989 CB ALA A 81 -3.130 -4.027 -8.765 1.00 0.00 C ATOM 0 H ALA A 81 -3.816 -2.487 -10.555 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.255 -4.343 -8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.034 -4.637 -7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.897 -4.632 -9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.437 -3.187 -8.710 1.00 0.00 H new ATOM 995 N TYR A 82 -4.514 -1.433 -7.612 1.00 0.00 N ATOM 996 CA TYR A 82 -4.763 -0.470 -6.537 1.00 0.00 C ATOM 997 C TYR A 82 -6.275 -0.268 -6.316 1.00 0.00 C ATOM 998 O TYR A 82 -6.767 -0.484 -5.215 1.00 0.00 O ATOM 999 CB TYR A 82 -4.026 0.856 -6.897 1.00 0.00 C ATOM 1000 CG TYR A 82 -4.502 2.121 -6.168 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -3.963 2.507 -4.938 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -5.486 2.946 -6.741 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -4.401 3.658 -4.308 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -5.914 4.087 -6.116 1.00 0.00 C ATOM 1005 CZ TYR A 82 -5.377 4.440 -4.907 1.00 0.00 C ATOM 1006 OH TYR A 82 -5.828 5.579 -4.297 1.00 0.00 O ATOM 0 H TYR A 82 -3.962 -1.042 -8.376 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.373 -0.843 -5.590 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.964 0.723 -6.692 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.126 1.022 -7.970 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.198 1.901 -4.475 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.914 2.674 -7.695 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.985 3.946 -3.354 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.671 4.705 -6.575 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.064 6.102 -3.975 1.00 0.00 H new ATOM 1016 N ASN A 83 -7.006 0.101 -7.384 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.443 0.451 -7.282 1.00 0.00 C ATOM 1018 C ASN A 83 -9.283 -0.767 -6.851 1.00 0.00 C ATOM 1019 O ASN A 83 -10.128 -0.653 -5.961 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.987 1.040 -8.611 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.409 2.420 -8.947 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -8.843 3.436 -8.404 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.455 2.481 -9.862 1.00 0.00 N ATOM 0 H ASN A 83 -6.629 0.166 -8.330 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.531 1.220 -6.515 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.760 0.351 -9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.073 1.114 -8.549 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.063 3.384 -10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.111 1.625 -10.298 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.998 -1.936 -7.461 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.692 -3.214 -7.159 1.00 0.00 C ATOM 1032 C HIS A 84 -9.434 -3.680 -5.706 1.00 0.00 C ATOM 1033 O HIS A 84 -10.277 -4.380 -5.132 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.290 -4.313 -8.188 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.954 -4.160 -9.537 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -10.884 -5.051 -10.017 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.823 -3.214 -10.495 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -11.301 -4.661 -11.205 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.672 -3.549 -11.522 1.00 0.00 N ATOM 0 H HIS A 84 -8.279 -2.025 -8.179 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.764 -3.039 -7.249 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.208 -4.294 -8.322 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.543 -5.291 -7.778 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.171 -2.354 -10.459 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.034 -5.168 -11.815 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.795 -3.023 -12.387 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.287 -3.276 -5.120 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.944 -3.602 -3.716 1.00 0.00 C ATOM 1050 C LEU A 85 -9.012 -3.077 -2.749 1.00 0.00 C ATOM 1051 O LEU A 85 -9.514 -3.801 -1.911 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.581 -2.976 -3.332 1.00 0.00 C ATOM 1053 CG LEU A 85 -6.057 -3.245 -1.881 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -5.726 -4.734 -1.661 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.846 -2.349 -1.533 1.00 0.00 C ATOM 0 H LEU A 85 -7.578 -2.720 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.890 -4.688 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.832 -3.339 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.653 -1.897 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.866 -2.983 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.366 -4.880 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.623 -5.333 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.955 -5.043 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.512 -2.566 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.034 -2.547 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.137 -1.301 -1.603 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.302 -1.787 -2.878 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.278 -1.078 -2.029 1.00 0.00 C ATOM 1069 C PHE A 86 -11.724 -1.422 -2.419 1.00 0.00 C ATOM 1070 O PHE A 86 -12.603 -1.526 -1.556 1.00 0.00 O ATOM 1071 CB PHE A 86 -10.033 0.433 -2.133 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.576 0.812 -1.905 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.999 0.780 -0.634 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -7.782 1.194 -2.964 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -6.673 1.128 -0.454 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.475 1.534 -2.776 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.922 1.510 -1.529 1.00 0.00 C ATOM 0 H PHE A 86 -8.866 -1.189 -3.580 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.140 -1.401 -0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.344 0.780 -3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.656 0.949 -1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.594 0.481 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.201 1.225 -3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.233 1.098 0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.871 1.825 -3.623 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.889 1.793 -1.392 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.936 -1.608 -3.735 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.266 -1.788 -4.341 1.00 0.00 C ATOM 1089 C GLU A 87 -13.982 -3.024 -3.777 1.00 0.00 C ATOM 1090 O GLU A 87 -15.156 -2.963 -3.387 1.00 0.00 O ATOM 1091 CB GLU A 87 -13.106 -1.926 -5.879 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.420 -2.101 -6.668 1.00 0.00 C ATOM 1093 CD GLU A 87 -15.431 -0.965 -6.435 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -15.102 0.210 -6.730 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -16.554 -1.232 -5.938 1.00 0.00 O ATOM 0 H GLU A 87 -11.177 -1.638 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.876 -0.917 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.592 -1.041 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.462 -2.781 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.191 -2.160 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.879 -3.049 -6.388 1.00 0.00 H new ATOM 1102 N THR A 88 -13.248 -4.135 -3.719 1.00 0.00 N ATOM 1103 CA THR A 88 -13.746 -5.422 -3.222 1.00 0.00 C ATOM 1104 C THR A 88 -12.972 -5.873 -1.960 1.00 0.00 C ATOM 1105 O THR A 88 -13.110 -7.021 -1.517 1.00 0.00 O ATOM 1106 CB THR A 88 -13.669 -6.479 -4.372 1.00 0.00 C ATOM 1107 OG1 THR A 88 -12.418 -6.340 -5.052 1.00 0.00 O ATOM 1108 CG2 THR A 88 -14.815 -6.320 -5.392 1.00 0.00 C ATOM 0 H THR A 88 -12.274 -4.169 -4.021 1.00 0.00 H new ATOM 0 HA THR A 88 -14.788 -5.317 -2.919 1.00 0.00 H new ATOM 0 HB THR A 88 -13.762 -7.466 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.335 -7.041 -5.731 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.717 -7.077 -6.170 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.772 -6.442 -4.886 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.767 -5.328 -5.842 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.177 -4.929 -1.396 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.530 -5.038 -0.063 1.00 0.00 C ATOM 1118 C LYS A 89 -10.670 -6.314 0.067 1.00 0.00 C ATOM 1119 O LYS A 89 -10.883 -7.143 0.957 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.595 -4.886 1.060 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.465 -3.610 0.910 1.00 0.00 C ATOM 1122 CD LYS A 89 -14.520 -3.453 2.027 1.00 0.00 C ATOM 1123 CE LYS A 89 -13.898 -3.125 3.397 1.00 0.00 C ATOM 1124 NZ LYS A 89 -13.183 -1.826 3.390 1.00 0.00 N ATOM 0 H LYS A 89 -11.963 -4.050 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.823 -4.216 0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.243 -5.762 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.093 -4.864 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.816 -2.735 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.970 -3.635 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.218 -2.662 1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.097 -4.374 2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.682 -3.102 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.205 -3.918 3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.190 -1.975 3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.222 -1.414 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.635 -1.178 4.066 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.700 -6.450 -0.863 1.00 0.00 N ATOM 1139 CA ARG A 90 -8.807 -7.632 -0.956 1.00 0.00 C ATOM 1140 C ARG A 90 -7.763 -7.650 0.170 1.00 0.00 C ATOM 1141 O ARG A 90 -7.113 -8.674 0.398 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.054 -7.684 -2.320 1.00 0.00 C ATOM 1143 CG ARG A 90 -8.868 -7.313 -3.577 1.00 0.00 C ATOM 1144 CD ARG A 90 -10.248 -7.959 -3.628 1.00 0.00 C ATOM 1145 NE ARG A 90 -10.219 -9.431 -3.522 1.00 0.00 N ATOM 1146 CZ ARG A 90 -11.039 -10.166 -2.744 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -11.872 -9.586 -1.887 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -10.981 -11.486 -2.796 1.00 0.00 N ATOM 0 H ARG A 90 -9.511 -5.743 -1.574 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.457 -8.502 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.196 -7.014 -2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.662 -8.692 -2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.982 -6.230 -3.618 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.306 -7.608 -4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.857 -7.557 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.735 -7.680 -4.562 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.526 -9.930 -4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.898 -8.569 -1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.485 -10.157 -1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.318 -11.943 -3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.599 -12.047 -2.210 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.574 -6.496 0.819 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.608 -6.340 1.912 1.00 0.00 C ATOM 1164 C PHE A 91 -7.041 -7.113 3.177 1.00 0.00 C ATOM 1165 O PHE A 91 -8.236 -7.255 3.475 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.344 -4.832 2.223 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.588 -3.945 2.308 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.520 -4.095 3.331 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -7.814 -2.954 1.359 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.639 -3.292 3.394 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -8.931 -2.151 1.422 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.840 -2.317 2.444 1.00 0.00 C ATOM 0 H PHE A 91 -8.088 -5.642 0.601 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.667 -6.778 1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.806 -4.764 3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.686 -4.431 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.364 -4.851 4.086 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.102 -2.812 0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.358 -3.428 4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.094 -1.392 0.671 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.711 -1.681 2.500 1.00 0.00 H new ATOM 1182 N LYS A 92 -6.032 -7.645 3.859 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.134 -8.254 5.178 1.00 0.00 C ATOM 1184 C LYS A 92 -6.325 -7.134 6.231 1.00 0.00 C ATOM 1185 O LYS A 92 -7.416 -7.038 6.827 1.00 0.00 O ATOM 1186 CB LYS A 92 -4.837 -9.066 5.457 1.00 0.00 C ATOM 1187 CG LYS A 92 -4.558 -10.201 4.438 1.00 0.00 C ATOM 1188 CD LYS A 92 -3.105 -10.760 4.480 1.00 0.00 C ATOM 1189 CE LYS A 92 -2.710 -11.415 5.828 1.00 0.00 C ATOM 1190 NZ LYS A 92 -2.412 -10.426 6.902 1.00 0.00 N ATOM 1191 OXT LYS A 92 -5.396 -6.314 6.409 1.00 0.00 O ATOM 0 H LYS A 92 -5.081 -7.664 3.491 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.987 -8.931 5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.989 -8.382 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.902 -9.499 6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.254 -11.019 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.763 -9.830 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.989 -11.496 3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.410 -9.948 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.520 -12.066 6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.836 -12.047 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.573 -10.733 7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.230 -9.495 6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.225 -10.358 7.547 1.00 0.00 H new