USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 833 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 76 SER OG : rot 180:sc= 0.0397 USER MOD Set 1.2: A 78 ASN : amide:sc= -2.58! C(o=-2.2!,f=-3!) USER MOD Set 1.3: A 87 CYS SG : rot -34:sc= 0.328 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-3!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -107:sc= 0.916 (180deg=-0.283) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.0093) USER MOD Single : A 67 ASN : amide:sc= 0.0252 K(o=0.025,f=-0.87) USER MOD Single : A 68 TYR OH : rot -115:sc= 0.358 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= -0.37 USER MOD Single : A 79 SER OG : rot 111:sc= 0.142 USER MOD Single : A 81 GLN : amide:sc= -0.619 K(o=-0.62,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 86 GLN : amide:sc= -0.594 K(o=-0.59,f=-2.6) USER MOD Single : A 89 THR OG1 : rot 73:sc= 0.257 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.358) USER MOD Single : A 97 GLN : amide:sc= 0.324 K(o=0.32,f=-4.4!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 161:sc= -0.0263 (180deg=-0.829) USER MOD Single : A 108 HIS : no HE2:sc= -0.101 K(o=-0.1,f=-1.2) USER MOD Single : A 115 GLN : amide:sc= -0.626 K(o=-0.63,f=-2.4!) USER MOD Single : A 116 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.3) USER MOD Single : A 117 ASN : amide:sc= -7.31! C(o=-7.3!,f=-9.5!) USER MOD Single : A 120 HIS : no HD1:sc= -2.95! K(o=-2.9!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -3.383 16.207 -2.165 1.00 0.00 N ATOM 123 CA VAL A 12 -3.806 15.175 -1.225 1.00 0.00 C ATOM 124 C VAL A 12 -5.229 14.714 -1.520 1.00 0.00 C ATOM 125 O VAL A 12 -5.489 13.518 -1.650 1.00 0.00 O ATOM 126 CB VAL A 12 -3.731 15.676 0.229 1.00 0.00 C ATOM 127 CG1 VAL A 12 -4.143 14.575 1.195 1.00 0.00 C ATOM 128 CG2 VAL A 12 -2.331 16.179 0.548 1.00 0.00 C ATOM 0 HA VAL A 12 -3.122 14.335 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.426 16.507 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.084 14.947 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.166 14.266 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.475 13.722 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.296 16.529 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.614 15.369 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.078 17.000 -0.123 1.00 0.00 H new ATOM 138 N GLN A 13 -6.146 15.671 -1.624 1.00 0.00 N ATOM 139 CA GLN A 13 -7.543 15.362 -1.904 1.00 0.00 C ATOM 140 C GLN A 13 -7.670 14.497 -3.153 1.00 0.00 C ATOM 141 O GLN A 13 -8.330 13.459 -3.135 1.00 0.00 O ATOM 142 CB GLN A 13 -8.347 16.652 -2.078 1.00 0.00 C ATOM 143 CG GLN A 13 -9.784 16.418 -2.517 1.00 0.00 C ATOM 144 CD GLN A 13 -10.577 17.705 -2.627 1.00 0.00 C ATOM 145 OE1 GLN A 13 -10.285 18.559 -3.465 1.00 0.00 O ATOM 146 NE2 GLN A 13 -11.587 17.852 -1.777 1.00 0.00 N ATOM 0 H GLN A 13 -5.947 16.666 -1.519 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.942 14.804 -1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.348 17.200 -1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.849 17.284 -2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.787 15.910 -3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.274 15.754 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.794 17.119 -1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.156 18.698 -1.802 1.00 0.00 H new ATOM 155 N GLU A 14 -7.034 14.932 -4.236 1.00 0.00 N ATOM 156 CA GLU A 14 -7.078 14.197 -5.494 1.00 0.00 C ATOM 157 C GLU A 14 -6.762 12.721 -5.273 1.00 0.00 C ATOM 158 O GLU A 14 -7.614 11.856 -5.479 1.00 0.00 O ATOM 159 CB GLU A 14 -6.088 14.797 -6.496 1.00 0.00 C ATOM 160 CG GLU A 14 -6.689 15.888 -7.366 1.00 0.00 C ATOM 161 CD GLU A 14 -8.069 15.529 -7.882 1.00 0.00 C ATOM 162 OE1 GLU A 14 -8.201 14.478 -8.543 1.00 0.00 O ATOM 163 OE2 GLU A 14 -9.017 16.300 -7.625 1.00 0.00 O ATOM 0 H GLU A 14 -6.482 15.789 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.087 14.279 -5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.236 15.206 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.706 14.002 -7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.749 16.813 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.028 16.079 -8.211 1.00 0.00 H new ATOM 170 N GLU A 15 -5.533 12.440 -4.853 1.00 0.00 N ATOM 171 CA GLU A 15 -5.105 11.069 -4.605 1.00 0.00 C ATOM 172 C GLU A 15 -6.248 10.238 -4.029 1.00 0.00 C ATOM 173 O GLU A 15 -6.544 9.146 -4.516 1.00 0.00 O ATOM 174 CB GLU A 15 -3.911 11.048 -3.648 1.00 0.00 C ATOM 175 CG GLU A 15 -3.228 9.694 -3.556 1.00 0.00 C ATOM 176 CD GLU A 15 -1.810 9.791 -3.027 1.00 0.00 C ATOM 177 OE1 GLU A 15 -1.591 10.536 -2.049 1.00 0.00 O ATOM 178 OE2 GLU A 15 -0.920 9.122 -3.592 1.00 0.00 O ATOM 0 H GLU A 15 -4.816 13.144 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.805 10.632 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.183 11.791 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.247 11.344 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.810 9.041 -2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.213 9.231 -4.543 1.00 0.00 H new ATOM 185 N LEU A 16 -6.886 10.762 -2.989 1.00 0.00 N ATOM 186 CA LEU A 16 -7.997 10.070 -2.344 1.00 0.00 C ATOM 187 C LEU A 16 -9.144 9.850 -3.325 1.00 0.00 C ATOM 188 O LEU A 16 -9.734 8.771 -3.374 1.00 0.00 O ATOM 189 CB LEU A 16 -8.489 10.869 -1.136 1.00 0.00 C ATOM 190 CG LEU A 16 -7.454 11.143 -0.045 1.00 0.00 C ATOM 191 CD1 LEU A 16 -7.915 12.278 0.855 1.00 0.00 C ATOM 192 CD2 LEU A 16 -7.192 9.885 0.770 1.00 0.00 C ATOM 0 H LEU A 16 -6.653 11.664 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.640 9.097 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.875 11.825 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.326 10.334 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.521 11.442 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.166 12.459 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.050 13.182 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.861 12.008 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.453 10.099 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.120 9.555 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.816 9.099 0.115 1.00 0.00 H new ATOM 204 N SER A 17 -9.454 10.880 -4.106 1.00 0.00 N ATOM 205 CA SER A 17 -10.532 10.800 -5.085 1.00 0.00 C ATOM 206 C SER A 17 -10.211 9.769 -6.163 1.00 0.00 C ATOM 207 O SER A 17 -11.013 8.879 -6.444 1.00 0.00 O ATOM 208 CB SER A 17 -10.769 12.169 -5.727 1.00 0.00 C ATOM 209 OG SER A 17 -11.617 12.062 -6.857 1.00 0.00 O ATOM 0 H SER A 17 -8.974 11.780 -4.080 1.00 0.00 H new ATOM 0 HA SER A 17 -11.438 10.488 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.215 12.844 -4.997 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.815 12.605 -6.024 1.00 0.00 H new ATOM 0 HG SER A 17 -11.754 12.950 -7.248 1.00 0.00 H new ATOM 215 N VAL A 18 -9.032 9.897 -6.763 1.00 0.00 N ATOM 216 CA VAL A 18 -8.603 8.976 -7.810 1.00 0.00 C ATOM 217 C VAL A 18 -8.816 7.527 -7.388 1.00 0.00 C ATOM 218 O VAL A 18 -9.517 6.769 -8.060 1.00 0.00 O ATOM 219 CB VAL A 18 -7.119 9.183 -8.166 1.00 0.00 C ATOM 220 CG1 VAL A 18 -6.687 8.203 -9.245 1.00 0.00 C ATOM 221 CG2 VAL A 18 -6.873 10.618 -8.607 1.00 0.00 C ATOM 0 H VAL A 18 -8.357 10.629 -6.542 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.213 9.189 -8.688 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.519 8.993 -7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.636 8.364 -9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.825 7.183 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.290 8.358 -10.140 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.819 10.747 -8.855 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.482 10.839 -9.484 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.141 11.298 -7.799 1.00 0.00 H new ATOM 231 N LEU A 19 -8.208 7.147 -6.270 1.00 0.00 N ATOM 232 CA LEU A 19 -8.330 5.787 -5.756 1.00 0.00 C ATOM 233 C LEU A 19 -9.789 5.341 -5.738 1.00 0.00 C ATOM 234 O LEU A 19 -10.103 4.198 -6.068 1.00 0.00 O ATOM 235 CB LEU A 19 -7.740 5.697 -4.348 1.00 0.00 C ATOM 236 CG LEU A 19 -6.230 5.907 -4.238 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.823 6.112 -2.787 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.482 4.727 -4.842 1.00 0.00 C ATOM 0 H LEU A 19 -7.625 7.762 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.774 5.124 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.236 6.437 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.981 4.717 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.966 6.804 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.745 6.260 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.332 6.989 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.101 5.234 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.408 4.894 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.752 3.814 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.749 4.627 -5.894 1.00 0.00 H new ATOM 250 N ALA A 20 -10.676 6.253 -5.351 1.00 0.00 N ATOM 251 CA ALA A 20 -12.102 5.955 -5.295 1.00 0.00 C ATOM 252 C ALA A 20 -12.564 5.237 -6.558 1.00 0.00 C ATOM 253 O ALA A 20 -13.443 4.378 -6.509 1.00 0.00 O ATOM 254 CB ALA A 20 -12.900 7.234 -5.090 1.00 0.00 C ATOM 0 H ALA A 20 -10.432 7.203 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.276 5.291 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.963 6.997 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.598 7.705 -4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.711 7.917 -5.918 1.00 0.00 H new ATOM 260 N ALA A 21 -11.965 5.596 -7.689 1.00 0.00 N ATOM 261 CA ALA A 21 -12.314 4.985 -8.966 1.00 0.00 C ATOM 262 C ALA A 21 -11.866 3.528 -9.018 1.00 0.00 C ATOM 263 O ALA A 21 -12.680 2.625 -9.213 1.00 0.00 O ATOM 264 CB ALA A 21 -11.698 5.770 -10.113 1.00 0.00 C ATOM 0 H ALA A 21 -11.236 6.307 -7.747 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.399 5.008 -9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.967 5.302 -11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.071 6.794 -10.095 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.613 5.778 -10.007 1.00 0.00 H new ATOM 270 N ILE A 22 -10.567 3.307 -8.843 1.00 0.00 N ATOM 271 CA ILE A 22 -10.012 1.960 -8.870 1.00 0.00 C ATOM 272 C ILE A 22 -10.874 0.993 -8.066 1.00 0.00 C ATOM 273 O ILE A 22 -11.332 -0.025 -8.584 1.00 0.00 O ATOM 274 CB ILE A 22 -8.575 1.932 -8.315 1.00 0.00 C ATOM 275 CG1 ILE A 22 -7.602 2.542 -9.326 1.00 0.00 C ATOM 276 CG2 ILE A 22 -8.168 0.507 -7.972 1.00 0.00 C ATOM 277 CD1 ILE A 22 -7.402 4.031 -9.149 1.00 0.00 C ATOM 0 H ILE A 22 -9.880 4.043 -8.681 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.996 1.647 -9.914 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.542 2.528 -7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.638 2.041 -9.238 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.970 2.350 -10.334 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.150 0.503 -7.581 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.847 0.106 -7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.214 -0.111 -8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.700 4.396 -9.899 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.357 4.543 -9.266 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.004 4.229 -8.154 1.00 0.00 H new ATOM 376 N GLU A 28 -14.071 -2.097 -0.396 1.00 0.00 N ATOM 377 CA GLU A 28 -12.663 -2.016 -0.766 1.00 0.00 C ATOM 378 C GLU A 28 -12.060 -0.686 -0.324 1.00 0.00 C ATOM 379 O GLU A 28 -10.963 -0.645 0.233 1.00 0.00 O ATOM 380 CB GLU A 28 -12.500 -2.186 -2.278 1.00 0.00 C ATOM 381 CG GLU A 28 -12.781 -3.597 -2.767 1.00 0.00 C ATOM 382 CD GLU A 28 -13.978 -4.224 -2.080 1.00 0.00 C ATOM 383 OE1 GLU A 28 -15.105 -3.723 -2.279 1.00 0.00 O ATOM 384 OE2 GLU A 28 -13.790 -5.215 -1.345 1.00 0.00 O ATOM 0 HA GLU A 28 -12.133 -2.822 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.171 -1.494 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.484 -1.909 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.953 -3.577 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.902 -4.219 -2.596 1.00 0.00 H new ATOM 391 N TRP A 29 -12.783 0.398 -0.578 1.00 0.00 N ATOM 392 CA TRP A 29 -12.320 1.730 -0.207 1.00 0.00 C ATOM 393 C TRP A 29 -12.978 2.195 1.087 1.00 0.00 C ATOM 394 O TRP A 29 -14.200 2.320 1.161 1.00 0.00 O ATOM 395 CB TRP A 29 -12.614 2.726 -1.330 1.00 0.00 C ATOM 396 CG TRP A 29 -12.281 4.142 -0.970 1.00 0.00 C ATOM 397 CD1 TRP A 29 -13.163 5.143 -0.678 1.00 0.00 C ATOM 398 CD2 TRP A 29 -10.972 4.715 -0.868 1.00 0.00 C ATOM 399 NE1 TRP A 29 -12.481 6.303 -0.399 1.00 0.00 N ATOM 400 CE2 TRP A 29 -11.137 6.067 -0.508 1.00 0.00 C ATOM 401 CE3 TRP A 29 -9.679 4.216 -1.042 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -10.055 6.924 -0.322 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -8.606 5.068 -0.857 1.00 0.00 C ATOM 404 CH2 TRP A 29 -8.799 6.409 -0.499 1.00 0.00 C ATOM 0 H TRP A 29 -13.692 0.381 -1.039 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.243 1.681 -0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.047 2.441 -2.216 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.670 2.664 -1.593 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -14.238 5.038 -0.668 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.907 7.196 -0.151 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.520 3.183 -1.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -10.202 7.958 -0.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.602 4.694 -0.991 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.940 7.049 -0.360 1.00 0.00 H new ATOM 415 N GLU A 30 -12.161 2.448 2.104 1.00 0.00 N ATOM 416 CA GLU A 30 -12.666 2.899 3.396 1.00 0.00 C ATOM 417 C GLU A 30 -11.705 3.895 4.039 1.00 0.00 C ATOM 418 O GLU A 30 -10.526 3.600 4.233 1.00 0.00 O ATOM 419 CB GLU A 30 -12.881 1.705 4.329 1.00 0.00 C ATOM 420 CG GLU A 30 -13.922 1.955 5.407 1.00 0.00 C ATOM 421 CD GLU A 30 -14.429 0.673 6.037 1.00 0.00 C ATOM 422 OE1 GLU A 30 -13.645 -0.297 6.119 1.00 0.00 O ATOM 423 OE2 GLU A 30 -15.607 0.638 6.448 1.00 0.00 O ATOM 0 H GLU A 30 -11.147 2.349 2.059 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.621 3.398 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.184 0.842 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.933 1.450 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.492 2.591 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.762 2.501 4.976 1.00 0.00 H new ATOM 430 N VAL A 31 -12.218 5.076 4.367 1.00 0.00 N ATOM 431 CA VAL A 31 -11.407 6.116 4.989 1.00 0.00 C ATOM 432 C VAL A 31 -11.885 6.412 6.406 1.00 0.00 C ATOM 433 O VAL A 31 -12.961 6.980 6.604 1.00 0.00 O ATOM 434 CB VAL A 31 -11.436 7.418 4.166 1.00 0.00 C ATOM 435 CG1 VAL A 31 -10.636 8.508 4.863 1.00 0.00 C ATOM 436 CG2 VAL A 31 -10.907 7.171 2.761 1.00 0.00 C ATOM 0 H VAL A 31 -13.192 5.337 4.212 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.384 5.741 5.025 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.470 7.755 4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.668 9.420 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.065 8.702 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.601 8.184 4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.934 8.101 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.880 6.810 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.527 6.424 2.265 1.00 0.00 H new ATOM 446 N LEU A 32 -11.080 6.026 7.389 1.00 0.00 N ATOM 447 CA LEU A 32 -11.420 6.251 8.790 1.00 0.00 C ATOM 448 C LEU A 32 -11.692 7.729 9.054 1.00 0.00 C ATOM 449 O LEU A 32 -12.795 8.106 9.447 1.00 0.00 O ATOM 450 CB LEU A 32 -10.290 5.759 9.695 1.00 0.00 C ATOM 451 CG LEU A 32 -9.770 4.349 9.414 1.00 0.00 C ATOM 452 CD1 LEU A 32 -8.620 4.007 10.348 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.892 3.330 9.551 1.00 0.00 C ATOM 0 H LEU A 32 -10.187 5.556 7.242 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.327 5.688 9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.456 6.455 9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.636 5.798 10.728 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.400 4.317 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.264 3.000 10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.808 4.719 10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.963 4.057 11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.504 2.332 9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.293 3.364 10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.684 3.563 8.840 1.00 0.00 H new ATOM 465 N SER A 33 -10.679 8.560 8.832 1.00 0.00 N ATOM 466 CA SER A 33 -10.808 9.997 9.048 1.00 0.00 C ATOM 467 C SER A 33 -9.858 10.770 8.138 1.00 0.00 C ATOM 468 O SER A 33 -8.735 10.335 7.882 1.00 0.00 O ATOM 469 CB SER A 33 -10.525 10.342 10.511 1.00 0.00 C ATOM 470 OG SER A 33 -11.463 9.719 11.372 1.00 0.00 O ATOM 0 H SER A 33 -9.760 8.264 8.503 1.00 0.00 H new ATOM 0 HA SER A 33 -11.831 10.286 8.806 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.517 10.023 10.775 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.563 11.423 10.647 1.00 0.00 H new ATOM 0 HG SER A 33 -11.260 9.954 12.302 1.00 0.00 H new ATOM 476 N ARG A 34 -10.317 11.919 7.653 1.00 0.00 N ATOM 477 CA ARG A 34 -9.509 12.753 6.771 1.00 0.00 C ATOM 478 C ARG A 34 -9.572 14.216 7.199 1.00 0.00 C ATOM 479 O ARG A 34 -10.641 14.735 7.519 1.00 0.00 O ATOM 480 CB ARG A 34 -9.986 12.613 5.324 1.00 0.00 C ATOM 481 CG ARG A 34 -11.428 13.046 5.114 1.00 0.00 C ATOM 482 CD ARG A 34 -12.399 11.916 5.417 1.00 0.00 C ATOM 483 NE ARG A 34 -13.790 12.353 5.334 1.00 0.00 N ATOM 484 CZ ARG A 34 -14.788 11.753 5.974 1.00 0.00 C ATOM 485 NH1 ARG A 34 -14.550 10.696 6.738 1.00 0.00 N ATOM 486 NH2 ARG A 34 -16.028 12.210 5.849 1.00 0.00 N ATOM 0 H ARG A 34 -11.244 12.294 7.856 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.475 12.416 6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.339 13.207 4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.879 11.574 5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.650 13.899 5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.563 13.377 4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.234 11.098 4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.201 11.525 6.415 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.007 13.163 4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.599 10.341 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.318 10.238 7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.215 13.022 5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.793 11.749 6.341 1.00 0.00 H new ATOM 552 N GLY A 39 -3.759 15.984 8.673 1.00 0.00 N ATOM 553 CA GLY A 39 -3.368 14.670 8.198 1.00 0.00 C ATOM 554 C GLY A 39 -4.556 13.835 7.761 1.00 0.00 C ATOM 555 O GLY A 39 -5.688 14.086 8.175 1.00 0.00 O ATOM 0 HA2 GLY A 39 -2.678 14.780 7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.831 14.146 8.988 1.00 0.00 H new ATOM 559 N THR A 40 -4.299 12.837 6.921 1.00 0.00 N ATOM 560 CA THR A 40 -5.355 11.964 6.425 1.00 0.00 C ATOM 561 C THR A 40 -5.036 10.500 6.708 1.00 0.00 C ATOM 562 O THR A 40 -3.980 9.999 6.323 1.00 0.00 O ATOM 563 CB THR A 40 -5.572 12.147 4.911 1.00 0.00 C ATOM 564 OG1 THR A 40 -5.912 13.509 4.627 1.00 0.00 O ATOM 565 CG2 THR A 40 -6.674 11.228 4.407 1.00 0.00 C ATOM 0 H THR A 40 -3.368 12.613 6.570 1.00 0.00 H new ATOM 0 HA THR A 40 -6.268 12.243 6.951 1.00 0.00 H new ATOM 0 HB THR A 40 -4.645 11.890 4.399 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.047 13.618 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.809 11.375 3.335 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.399 10.191 4.599 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.605 11.458 4.925 1.00 0.00 H new ATOM 573 N VAL A 41 -5.957 9.818 7.382 1.00 0.00 N ATOM 574 CA VAL A 41 -5.774 8.410 7.715 1.00 0.00 C ATOM 575 C VAL A 41 -6.889 7.557 7.121 1.00 0.00 C ATOM 576 O VAL A 41 -8.072 7.836 7.318 1.00 0.00 O ATOM 577 CB VAL A 41 -5.734 8.195 9.239 1.00 0.00 C ATOM 578 CG1 VAL A 41 -5.529 6.723 9.565 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.641 9.046 9.869 1.00 0.00 C ATOM 0 H VAL A 41 -6.837 10.218 7.708 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.819 8.104 7.288 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.691 8.506 9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.503 6.590 10.647 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.350 6.140 9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.587 6.383 9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.627 8.881 10.946 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.675 8.768 9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.837 10.099 9.665 1.00 0.00 H new ATOM 589 N PHE A 42 -6.504 6.513 6.394 1.00 0.00 N ATOM 590 CA PHE A 42 -7.471 5.617 5.770 1.00 0.00 C ATOM 591 C PHE A 42 -6.917 4.198 5.679 1.00 0.00 C ATOM 592 O PHE A 42 -5.709 3.999 5.554 1.00 0.00 O ATOM 593 CB PHE A 42 -7.841 6.123 4.375 1.00 0.00 C ATOM 594 CG PHE A 42 -6.653 6.337 3.480 1.00 0.00 C ATOM 595 CD1 PHE A 42 -5.965 7.540 3.496 1.00 0.00 C ATOM 596 CD2 PHE A 42 -6.225 5.336 2.623 1.00 0.00 C ATOM 597 CE1 PHE A 42 -4.871 7.740 2.675 1.00 0.00 C ATOM 598 CE2 PHE A 42 -5.132 5.530 1.800 1.00 0.00 C ATOM 599 CZ PHE A 42 -4.455 6.734 1.825 1.00 0.00 C ATOM 0 H PHE A 42 -5.529 6.267 6.222 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.366 5.600 6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.516 5.408 3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.387 7.061 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.287 8.330 4.158 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.752 4.393 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.342 8.681 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.807 4.741 1.138 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.602 6.888 1.181 1.00 0.00 H new ATOM 609 N ARG A 43 -7.810 3.216 5.743 1.00 0.00 N ATOM 610 CA ARG A 43 -7.412 1.815 5.669 1.00 0.00 C ATOM 611 C ARG A 43 -8.265 1.060 4.655 1.00 0.00 C ATOM 612 O ARG A 43 -9.414 0.713 4.931 1.00 0.00 O ATOM 613 CB ARG A 43 -7.532 1.156 7.044 1.00 0.00 C ATOM 614 CG ARG A 43 -6.837 -0.193 7.136 1.00 0.00 C ATOM 615 CD ARG A 43 -7.016 -0.819 8.510 1.00 0.00 C ATOM 616 NE ARG A 43 -5.884 -1.667 8.876 1.00 0.00 N ATOM 617 CZ ARG A 43 -5.610 -2.027 10.125 1.00 0.00 C ATOM 618 NH1 ARG A 43 -6.380 -1.616 11.122 1.00 0.00 N ATOM 619 NH2 ARG A 43 -4.562 -2.801 10.378 1.00 0.00 N ATOM 0 H ARG A 43 -8.814 3.364 5.846 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.372 1.775 5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.111 1.824 7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.587 1.029 7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.238 -0.863 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.774 -0.071 6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.135 -0.032 9.254 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.931 -1.411 8.523 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.271 -2.001 8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.186 -1.021 10.932 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.166 -1.895 12.080 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.967 -3.120 9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.352 -3.077 11.337 1.00 0.00 H new ATOM 633 N ILE A 44 -7.696 0.809 3.480 1.00 0.00 N ATOM 634 CA ILE A 44 -8.405 0.095 2.425 1.00 0.00 C ATOM 635 C ILE A 44 -7.876 -1.327 2.274 1.00 0.00 C ATOM 636 O ILE A 44 -6.706 -1.598 2.546 1.00 0.00 O ATOM 637 CB ILE A 44 -8.284 0.823 1.074 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.852 0.726 0.544 1.00 0.00 C ATOM 639 CG2 ILE A 44 -8.704 2.278 1.216 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.623 -0.461 -0.366 1.00 0.00 C ATOM 0 H ILE A 44 -6.746 1.090 3.235 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.455 0.060 2.716 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.950 0.341 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.611 1.641 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.164 0.665 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.613 2.779 0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.739 2.327 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.061 2.773 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.587 -0.466 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.832 -1.382 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.285 -0.391 -1.229 1.00 0.00 H new ATOM 652 N HIS A 45 -8.745 -2.232 1.836 1.00 0.00 N ATOM 653 CA HIS A 45 -8.365 -3.627 1.645 1.00 0.00 C ATOM 654 C HIS A 45 -8.091 -3.919 0.173 1.00 0.00 C ATOM 655 O HIS A 45 -8.746 -3.369 -0.713 1.00 0.00 O ATOM 656 CB HIS A 45 -9.466 -4.553 2.164 1.00 0.00 C ATOM 657 CG HIS A 45 -9.593 -4.555 3.656 1.00 0.00 C ATOM 658 ND1 HIS A 45 -10.791 -4.752 4.310 1.00 0.00 N ATOM 659 CD2 HIS A 45 -8.662 -4.383 4.624 1.00 0.00 C ATOM 660 CE1 HIS A 45 -10.592 -4.700 5.615 1.00 0.00 C ATOM 661 NE2 HIS A 45 -9.308 -4.478 5.832 1.00 0.00 N ATOM 0 H HIS A 45 -9.717 -2.024 1.607 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.451 -3.809 2.210 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.418 -4.252 1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -9.266 -5.569 1.823 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.608 -4.204 4.474 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.350 -4.819 6.375 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.868 -4.391 6.748 1.00 0.00 H new ATOM 670 N THR A 46 -7.118 -4.789 -0.082 1.00 0.00 N ATOM 671 CA THR A 46 -6.756 -5.152 -1.447 1.00 0.00 C ATOM 672 C THR A 46 -6.433 -6.638 -1.552 1.00 0.00 C ATOM 673 O THR A 46 -6.038 -7.270 -0.572 1.00 0.00 O ATOM 674 CB THR A 46 -5.546 -4.338 -1.942 1.00 0.00 C ATOM 675 OG1 THR A 46 -5.384 -4.512 -3.354 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.275 -4.767 -1.225 1.00 0.00 C ATOM 0 H THR A 46 -6.567 -5.255 0.639 1.00 0.00 H new ATOM 0 HA THR A 46 -7.618 -4.925 -2.075 1.00 0.00 H new ATOM 0 HB THR A 46 -5.730 -3.286 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.614 -3.990 -3.662 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.434 -4.178 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.390 -4.607 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.088 -5.824 -1.416 1.00 0.00 H new ATOM 684 N LYS A 47 -6.601 -7.192 -2.748 1.00 0.00 N ATOM 685 CA LYS A 47 -6.325 -8.604 -2.983 1.00 0.00 C ATOM 686 C LYS A 47 -5.271 -8.778 -4.072 1.00 0.00 C ATOM 687 O LYS A 47 -5.318 -8.113 -5.106 1.00 0.00 O ATOM 688 CB LYS A 47 -7.609 -9.337 -3.380 1.00 0.00 C ATOM 689 CG LYS A 47 -8.280 -8.762 -4.616 1.00 0.00 C ATOM 690 CD LYS A 47 -7.801 -9.452 -5.882 1.00 0.00 C ATOM 691 CE LYS A 47 -8.068 -8.602 -7.115 1.00 0.00 C ATOM 692 NZ LYS A 47 -7.196 -7.395 -7.155 1.00 0.00 N ATOM 0 H LYS A 47 -6.927 -6.684 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.941 -9.032 -2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.378 -10.387 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.310 -9.302 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.361 -8.871 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.071 -7.694 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.733 -9.657 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.303 -10.414 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.902 -9.200 -8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.114 -8.295 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.762 -6.550 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.436 -7.493 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.780 -7.298 -8.103 1.00 0.00 H new ATOM 706 N ALA A 48 -4.322 -9.678 -3.832 1.00 0.00 N ATOM 707 CA ALA A 48 -3.259 -9.942 -4.794 1.00 0.00 C ATOM 708 C ALA A 48 -3.434 -11.311 -5.443 1.00 0.00 C ATOM 709 O ALA A 48 -4.255 -12.115 -5.004 1.00 0.00 O ATOM 710 CB ALA A 48 -1.900 -9.845 -4.117 1.00 0.00 C ATOM 0 H ALA A 48 -4.268 -10.236 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.316 -9.188 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.115 -10.044 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.768 -8.844 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.841 -10.577 -3.312 1.00 0.00 H new ATOM 716 N GLU A 49 -2.656 -11.567 -6.491 1.00 0.00 N ATOM 717 CA GLU A 49 -2.727 -12.839 -7.200 1.00 0.00 C ATOM 718 C GLU A 49 -2.532 -14.009 -6.241 1.00 0.00 C ATOM 719 O GLU A 49 -2.812 -15.158 -6.581 1.00 0.00 O ATOM 720 CB GLU A 49 -1.671 -12.891 -8.306 1.00 0.00 C ATOM 721 CG GLU A 49 -1.931 -11.917 -9.443 1.00 0.00 C ATOM 722 CD GLU A 49 -0.945 -12.074 -10.584 1.00 0.00 C ATOM 723 OE1 GLU A 49 0.261 -11.838 -10.364 1.00 0.00 O ATOM 724 OE2 GLU A 49 -1.381 -12.435 -11.698 1.00 0.00 O ATOM 0 H GLU A 49 -1.971 -10.911 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.717 -12.921 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.693 -12.679 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.628 -13.903 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.943 -12.066 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.880 -10.897 -9.061 1.00 0.00 H new ATOM 731 N GLY A 50 -2.049 -13.707 -5.039 1.00 0.00 N ATOM 732 CA GLY A 50 -1.824 -14.744 -4.048 1.00 0.00 C ATOM 733 C GLY A 50 -0.966 -15.876 -4.578 1.00 0.00 C ATOM 734 O GLY A 50 0.128 -15.646 -5.094 1.00 0.00 O ATOM 0 H GLY A 50 -1.810 -12.764 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.344 -14.307 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.784 -15.143 -3.719 1.00 0.00 H new ATOM 738 N PHE A 51 -1.461 -17.102 -4.450 1.00 0.00 N ATOM 739 CA PHE A 51 -0.731 -18.274 -4.917 1.00 0.00 C ATOM 740 C PHE A 51 -1.691 -19.351 -5.414 1.00 0.00 C ATOM 741 O PHE A 51 -2.490 -19.888 -4.647 1.00 0.00 O ATOM 742 CB PHE A 51 0.146 -18.835 -3.796 1.00 0.00 C ATOM 743 CG PHE A 51 1.394 -18.035 -3.553 1.00 0.00 C ATOM 744 CD1 PHE A 51 1.324 -16.776 -2.980 1.00 0.00 C ATOM 745 CD2 PHE A 51 2.636 -18.542 -3.899 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.470 -16.037 -2.755 1.00 0.00 C ATOM 747 CE2 PHE A 51 3.785 -17.808 -3.676 1.00 0.00 C ATOM 748 CZ PHE A 51 3.703 -16.553 -3.104 1.00 0.00 C ATOM 0 H PHE A 51 -2.365 -17.310 -4.026 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.095 -17.967 -5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.436 -18.874 -2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.423 -19.860 -4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.363 -16.367 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.707 -19.522 -4.348 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.402 -15.057 -2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.747 -18.215 -3.949 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.600 -15.977 -2.930 1.00 0.00 H new ATOM 758 N MET A 52 -1.607 -19.661 -6.704 1.00 0.00 N ATOM 759 CA MET A 52 -2.468 -20.673 -7.304 1.00 0.00 C ATOM 760 C MET A 52 -3.884 -20.140 -7.494 1.00 0.00 C ATOM 761 O MET A 52 -4.861 -20.821 -7.182 1.00 0.00 O ATOM 762 CB MET A 52 -2.497 -21.930 -6.432 1.00 0.00 C ATOM 763 CG MET A 52 -1.134 -22.319 -5.881 1.00 0.00 C ATOM 764 SD MET A 52 -1.063 -24.043 -5.357 1.00 0.00 S ATOM 765 CE MET A 52 -2.146 -24.007 -3.930 1.00 0.00 C ATOM 0 H MET A 52 -0.952 -19.226 -7.353 1.00 0.00 H new ATOM 0 HA MET A 52 -2.060 -20.927 -8.283 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.184 -21.770 -5.601 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.893 -22.760 -7.018 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.375 -22.143 -6.643 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.891 -21.676 -5.035 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.206 -25.004 -3.493 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.751 -23.310 -3.191 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.141 -23.685 -4.237 1.00 0.00 H new ATOM 775 N ASP A 53 -3.988 -18.919 -8.006 1.00 0.00 N ATOM 776 CA ASP A 53 -5.285 -18.294 -8.239 1.00 0.00 C ATOM 777 C ASP A 53 -6.059 -18.148 -6.932 1.00 0.00 C ATOM 778 O ASP A 53 -7.290 -18.157 -6.924 1.00 0.00 O ATOM 779 CB ASP A 53 -6.099 -19.116 -9.239 1.00 0.00 C ATOM 780 CG ASP A 53 -5.648 -18.898 -10.670 1.00 0.00 C ATOM 781 OD1 ASP A 53 -4.441 -18.660 -10.882 1.00 0.00 O ATOM 782 OD2 ASP A 53 -6.503 -18.964 -11.578 1.00 0.00 O ATOM 0 H ASP A 53 -3.189 -18.342 -8.268 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.113 -17.300 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.013 -20.174 -8.991 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.153 -18.853 -9.149 1.00 0.00 H new ATOM 787 N ALA A 54 -5.330 -18.015 -5.830 1.00 0.00 N ATOM 788 CA ALA A 54 -5.948 -17.866 -4.518 1.00 0.00 C ATOM 789 C ALA A 54 -5.817 -16.435 -4.009 1.00 0.00 C ATOM 790 O ALA A 54 -4.768 -16.041 -3.498 1.00 0.00 O ATOM 791 CB ALA A 54 -5.326 -18.840 -3.528 1.00 0.00 C ATOM 0 H ALA A 54 -4.310 -18.007 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.010 -18.093 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.797 -18.718 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.477 -19.861 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.258 -18.640 -3.443 1.00 0.00 H new ATOM 797 N ASP A 55 -6.888 -15.661 -4.151 1.00 0.00 N ATOM 798 CA ASP A 55 -6.893 -14.273 -3.705 1.00 0.00 C ATOM 799 C ASP A 55 -6.585 -14.181 -2.213 1.00 0.00 C ATOM 800 O ASP A 55 -7.229 -14.838 -1.395 1.00 0.00 O ATOM 801 CB ASP A 55 -8.246 -13.625 -4.000 1.00 0.00 C ATOM 802 CG ASP A 55 -8.854 -14.120 -5.298 1.00 0.00 C ATOM 803 OD1 ASP A 55 -8.112 -14.231 -6.296 1.00 0.00 O ATOM 804 OD2 ASP A 55 -10.072 -14.395 -5.316 1.00 0.00 O ATOM 0 H ASP A 55 -7.764 -15.972 -4.572 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.116 -13.738 -4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.932 -13.832 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.125 -12.543 -4.048 1.00 0.00 H new ATOM 809 N ILE A 56 -5.597 -13.362 -1.868 1.00 0.00 N ATOM 810 CA ILE A 56 -5.205 -13.184 -0.475 1.00 0.00 C ATOM 811 C ILE A 56 -5.503 -11.767 0.003 1.00 0.00 C ATOM 812 O ILE A 56 -5.170 -10.780 -0.654 1.00 0.00 O ATOM 813 CB ILE A 56 -3.707 -13.478 -0.271 1.00 0.00 C ATOM 814 CG1 ILE A 56 -3.392 -14.925 -0.655 1.00 0.00 C ATOM 815 CG2 ILE A 56 -3.306 -13.208 1.172 1.00 0.00 C ATOM 816 CD1 ILE A 56 -1.929 -15.283 -0.513 1.00 0.00 C ATOM 0 H ILE A 56 -5.054 -12.812 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.790 -13.893 0.111 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.131 -12.817 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.984 -15.595 -0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.701 -15.094 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.245 -13.420 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.499 -12.163 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.887 -13.847 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.779 -16.323 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.332 -14.638 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.620 -15.146 0.523 1.00 0.00 H new ATOM 828 N PRO A 57 -6.145 -11.662 1.176 1.00 0.00 N ATOM 829 CA PRO A 57 -6.500 -10.370 1.771 1.00 0.00 C ATOM 830 C PRO A 57 -5.278 -9.600 2.259 1.00 0.00 C ATOM 831 O PRO A 57 -4.439 -10.141 2.981 1.00 0.00 O ATOM 832 CB PRO A 57 -7.395 -10.757 2.951 1.00 0.00 C ATOM 833 CG PRO A 57 -6.977 -12.142 3.305 1.00 0.00 C ATOM 834 CD PRO A 57 -6.572 -12.796 2.013 1.00 0.00 C ATOM 0 HA PRO A 57 -6.982 -9.709 1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.259 -10.076 3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.449 -10.719 2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.148 -12.130 4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.794 -12.687 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.764 -13.513 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.401 -13.340 1.560 1.00 0.00 H new ATOM 842 N LEU A 58 -5.182 -8.337 1.861 1.00 0.00 N ATOM 843 CA LEU A 58 -4.062 -7.492 2.259 1.00 0.00 C ATOM 844 C LEU A 58 -4.540 -6.314 3.102 1.00 0.00 C ATOM 845 O LEU A 58 -5.723 -5.976 3.098 1.00 0.00 O ATOM 846 CB LEU A 58 -3.319 -6.981 1.023 1.00 0.00 C ATOM 847 CG LEU A 58 -2.230 -7.899 0.467 1.00 0.00 C ATOM 848 CD1 LEU A 58 -1.225 -8.252 1.552 1.00 0.00 C ATOM 849 CD2 LEU A 58 -2.845 -9.159 -0.124 1.00 0.00 C ATOM 0 H LEU A 58 -5.867 -7.875 1.263 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.382 -8.094 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.049 -6.798 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.866 -6.020 1.267 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.705 -7.369 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.457 -8.906 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.761 -7.340 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.735 -8.763 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.055 -9.801 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.396 -9.693 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.525 -8.888 -0.932 1.00 0.00 H new ATOM 861 N GLU A 59 -3.611 -5.692 3.821 1.00 0.00 N ATOM 862 CA GLU A 59 -3.939 -4.551 4.668 1.00 0.00 C ATOM 863 C GLU A 59 -2.901 -3.443 4.513 1.00 0.00 C ATOM 864 O GLU A 59 -1.776 -3.558 5.001 1.00 0.00 O ATOM 865 CB GLU A 59 -4.025 -4.983 6.133 1.00 0.00 C ATOM 866 CG GLU A 59 -4.768 -3.994 7.016 1.00 0.00 C ATOM 867 CD GLU A 59 -6.264 -4.245 7.042 1.00 0.00 C ATOM 868 OE1 GLU A 59 -6.687 -5.254 7.643 1.00 0.00 O ATOM 869 OE2 GLU A 59 -7.011 -3.430 6.461 1.00 0.00 O ATOM 0 H GLU A 59 -2.627 -5.958 3.834 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.908 -4.164 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.522 -5.952 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.016 -5.119 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.376 -4.053 8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.579 -2.981 6.660 1.00 0.00 H new ATOM 876 N LEU A 60 -3.287 -2.370 3.831 1.00 0.00 N ATOM 877 CA LEU A 60 -2.390 -1.241 3.611 1.00 0.00 C ATOM 878 C LEU A 60 -2.932 0.022 4.274 1.00 0.00 C ATOM 879 O LEU A 60 -4.012 0.502 3.929 1.00 0.00 O ATOM 880 CB LEU A 60 -2.199 -1.001 2.112 1.00 0.00 C ATOM 881 CG LEU A 60 -1.204 -1.924 1.407 1.00 0.00 C ATOM 882 CD1 LEU A 60 -1.595 -2.115 -0.051 1.00 0.00 C ATOM 883 CD2 LEU A 60 0.208 -1.367 1.514 1.00 0.00 C ATOM 0 H LEU A 60 -4.214 -2.258 3.421 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.426 -1.481 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.167 -1.101 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.874 0.029 1.968 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.227 -2.896 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.876 -2.774 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.589 -2.559 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.600 -1.149 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.903 -2.037 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.247 -0.383 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.487 -1.282 2.564 1.00 0.00 H new ATOM 895 N VAL A 61 -2.174 0.555 5.227 1.00 0.00 N ATOM 896 CA VAL A 61 -2.576 1.764 5.936 1.00 0.00 C ATOM 897 C VAL A 61 -1.653 2.930 5.602 1.00 0.00 C ATOM 898 O VAL A 61 -0.531 3.011 6.102 1.00 0.00 O ATOM 899 CB VAL A 61 -2.577 1.546 7.461 1.00 0.00 C ATOM 900 CG1 VAL A 61 -2.908 2.841 8.186 1.00 0.00 C ATOM 901 CG2 VAL A 61 -3.559 0.448 7.840 1.00 0.00 C ATOM 0 H VAL A 61 -1.278 0.169 5.526 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.589 2.000 5.609 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.579 1.232 7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.904 2.667 9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.163 3.597 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.894 3.188 7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.547 0.307 8.921 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.562 0.731 7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.272 -0.482 7.349 1.00 0.00 H new ATOM 911 N PHE A 62 -2.133 3.833 4.753 1.00 0.00 N ATOM 912 CA PHE A 62 -1.351 4.996 4.350 1.00 0.00 C ATOM 913 C PHE A 62 -1.752 6.227 5.158 1.00 0.00 C ATOM 914 O PHE A 62 -2.905 6.656 5.126 1.00 0.00 O ATOM 915 CB PHE A 62 -1.537 5.270 2.856 1.00 0.00 C ATOM 916 CG PHE A 62 -1.042 4.157 1.977 1.00 0.00 C ATOM 917 CD1 PHE A 62 0.312 4.003 1.728 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.932 3.266 1.399 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.769 2.980 0.919 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.480 2.241 0.589 1.00 0.00 C ATOM 921 CZ PHE A 62 -0.128 2.097 0.349 1.00 0.00 C ATOM 0 H PHE A 62 -3.060 3.782 4.331 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.300 4.781 4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.595 5.438 2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.012 6.189 2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.018 4.690 2.171 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.991 3.374 1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.827 2.871 0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.184 1.553 0.144 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.228 1.296 -0.283 1.00 0.00 H new ATOM 931 N HIS A 63 -0.790 6.790 5.883 1.00 0.00 N ATOM 932 CA HIS A 63 -1.042 7.972 6.700 1.00 0.00 C ATOM 933 C HIS A 63 -0.333 9.193 6.122 1.00 0.00 C ATOM 934 O HIS A 63 0.897 9.244 6.070 1.00 0.00 O ATOM 935 CB HIS A 63 -0.579 7.732 8.137 1.00 0.00 C ATOM 936 CG HIS A 63 -0.201 8.987 8.862 1.00 0.00 C ATOM 937 ND1 HIS A 63 1.022 9.163 9.476 1.00 0.00 N ATOM 938 CD2 HIS A 63 -0.891 10.133 9.068 1.00 0.00 C ATOM 939 CE1 HIS A 63 1.066 10.361 10.030 1.00 0.00 C ATOM 940 NE2 HIS A 63 -0.082 10.971 9.796 1.00 0.00 N ATOM 0 H HIS A 63 0.170 6.447 5.921 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.115 8.163 6.699 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.375 7.230 8.687 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.276 7.057 8.126 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.892 10.349 8.724 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.899 10.772 10.581 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.328 11.911 10.106 1.00 0.00 H new ATOM 949 N LEU A 64 -1.116 10.175 5.687 1.00 0.00 N ATOM 950 CA LEU A 64 -0.563 11.396 5.112 1.00 0.00 C ATOM 951 C LEU A 64 -0.435 12.487 6.170 1.00 0.00 C ATOM 952 O LEU A 64 -1.418 13.101 6.586 1.00 0.00 O ATOM 953 CB LEU A 64 -1.445 11.885 3.962 1.00 0.00 C ATOM 954 CG LEU A 64 -1.758 10.859 2.872 1.00 0.00 C ATOM 955 CD1 LEU A 64 -2.792 11.409 1.902 1.00 0.00 C ATOM 956 CD2 LEU A 64 -0.489 10.461 2.134 1.00 0.00 C ATOM 0 H LEU A 64 -2.135 10.149 5.722 1.00 0.00 H new ATOM 0 HA LEU A 64 0.432 11.170 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.387 12.241 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.958 12.742 3.497 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.172 9.969 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.002 10.665 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.710 11.642 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.406 12.315 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.731 9.730 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.045 11.343 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.219 10.024 2.838 1.00 0.00 H new ATOM 968 N PRO A 65 0.805 12.738 6.616 1.00 0.00 N ATOM 969 CA PRO A 65 1.091 13.758 7.629 1.00 0.00 C ATOM 970 C PRO A 65 0.890 15.173 7.099 1.00 0.00 C ATOM 971 O PRO A 65 0.256 15.375 6.063 1.00 0.00 O ATOM 972 CB PRO A 65 2.564 13.518 7.968 1.00 0.00 C ATOM 973 CG PRO A 65 3.132 12.873 6.751 1.00 0.00 C ATOM 974 CD PRO A 65 2.023 12.044 6.165 1.00 0.00 C ATOM 0 HA PRO A 65 0.424 13.679 8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.075 14.453 8.196 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.670 12.876 8.842 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.478 13.622 6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.992 12.252 7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.083 12.003 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.056 11.016 6.525 1.00 0.00 H new ATOM 982 N VAL A 66 1.434 16.152 7.815 1.00 0.00 N ATOM 983 CA VAL A 66 1.316 17.549 7.416 1.00 0.00 C ATOM 984 C VAL A 66 2.485 17.968 6.532 1.00 0.00 C ATOM 985 O VAL A 66 2.373 18.904 5.740 1.00 0.00 O ATOM 986 CB VAL A 66 1.254 18.480 8.642 1.00 0.00 C ATOM 987 CG1 VAL A 66 -0.044 18.270 9.407 1.00 0.00 C ATOM 988 CG2 VAL A 66 2.457 18.252 9.545 1.00 0.00 C ATOM 0 H VAL A 66 1.961 16.003 8.675 1.00 0.00 H new ATOM 0 HA VAL A 66 0.387 17.640 6.853 1.00 0.00 H new ATOM 0 HB VAL A 66 1.280 19.513 8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.070 18.936 10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.890 18.488 8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.104 17.236 9.746 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.397 18.918 10.406 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.465 17.217 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.372 18.458 8.990 1.00 0.00 H new ATOM 998 N ASN A 67 3.606 17.269 6.672 1.00 0.00 N ATOM 999 CA ASN A 67 4.797 17.570 5.885 1.00 0.00 C ATOM 1000 C ASN A 67 4.695 16.961 4.490 1.00 0.00 C ATOM 1001 O ASN A 67 5.056 17.594 3.497 1.00 0.00 O ATOM 1002 CB ASN A 67 6.047 17.043 6.593 1.00 0.00 C ATOM 1003 CG ASN A 67 6.075 17.406 8.065 1.00 0.00 C ATOM 1004 OD1 ASN A 67 5.404 16.776 8.883 1.00 0.00 O ATOM 1005 ND2 ASN A 67 6.852 18.426 8.409 1.00 0.00 N ATOM 0 H ASN A 67 3.715 16.491 7.322 1.00 0.00 H new ATOM 0 HA ASN A 67 4.873 18.653 5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.091 15.959 6.488 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.934 17.446 6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.910 18.716 9.385 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.391 18.919 7.697 1.00 0.00 H new ATOM 1012 N TYR A 68 4.200 15.730 4.422 1.00 0.00 N ATOM 1013 CA TYR A 68 4.052 15.035 3.149 1.00 0.00 C ATOM 1014 C TYR A 68 3.665 16.008 2.039 1.00 0.00 C ATOM 1015 O TYR A 68 2.982 17.007 2.264 1.00 0.00 O ATOM 1016 CB TYR A 68 2.998 13.932 3.266 1.00 0.00 C ATOM 1017 CG TYR A 68 2.313 13.608 1.958 1.00 0.00 C ATOM 1018 CD1 TYR A 68 1.470 14.527 1.346 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.510 12.383 1.333 1.00 0.00 C ATOM 1020 CE1 TYR A 68 0.841 14.235 0.151 1.00 0.00 C ATOM 1021 CE2 TYR A 68 1.887 12.082 0.137 1.00 0.00 C ATOM 1022 CZ TYR A 68 1.053 13.011 -0.450 1.00 0.00 C ATOM 1023 OH TYR A 68 0.430 12.717 -1.641 1.00 0.00 O ATOM 0 H TYR A 68 3.895 15.193 5.234 1.00 0.00 H new ATOM 0 HA TYR A 68 5.012 14.586 2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.471 13.029 3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.246 14.235 3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.303 15.487 1.813 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.162 11.653 1.790 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.187 14.960 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.052 11.125 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.195 11.974 -1.508 1.00 0.00 H new ATOM 1033 N PRO A 69 4.112 15.709 0.810 1.00 0.00 N ATOM 1034 CA PRO A 69 4.926 14.522 0.530 1.00 0.00 C ATOM 1035 C PRO A 69 6.328 14.629 1.120 1.00 0.00 C ATOM 1036 O PRO A 69 7.161 13.743 0.930 1.00 0.00 O ATOM 1037 CB PRO A 69 4.990 14.489 -0.999 1.00 0.00 C ATOM 1038 CG PRO A 69 4.786 15.904 -1.418 1.00 0.00 C ATOM 1039 CD PRO A 69 3.856 16.507 -0.401 1.00 0.00 C ATOM 0 HA PRO A 69 4.500 13.621 0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.950 14.108 -1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.220 13.839 -1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.733 16.442 -1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.357 15.957 -2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 69 4.069 17.564 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.815 16.436 -0.716 1.00 0.00 H new ATOM 1047 N SER A 70 6.582 15.720 1.837 1.00 0.00 N ATOM 1048 CA SER A 70 7.885 15.944 2.452 1.00 0.00 C ATOM 1049 C SER A 70 8.051 15.084 3.701 1.00 0.00 C ATOM 1050 O SER A 70 8.512 15.561 4.739 1.00 0.00 O ATOM 1051 CB SER A 70 8.057 17.421 2.809 1.00 0.00 C ATOM 1052 OG SER A 70 7.951 18.240 1.657 1.00 0.00 O ATOM 0 H SER A 70 5.903 16.462 2.006 1.00 0.00 H new ATOM 0 HA SER A 70 8.653 15.660 1.732 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.300 17.713 3.537 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.028 17.574 3.280 1.00 0.00 H new ATOM 0 HG SER A 70 8.063 19.180 1.912 1.00 0.00 H new ATOM 1058 N CYS A 71 7.672 13.816 3.594 1.00 0.00 N ATOM 1059 CA CYS A 71 7.777 12.888 4.715 1.00 0.00 C ATOM 1060 C CYS A 71 7.367 11.480 4.296 1.00 0.00 C ATOM 1061 O CYS A 71 6.598 11.301 3.351 1.00 0.00 O ATOM 1062 CB CYS A 71 6.905 13.361 5.878 1.00 0.00 C ATOM 1063 SG CYS A 71 7.016 12.322 7.354 1.00 0.00 S ATOM 0 H CYS A 71 7.289 13.406 2.742 1.00 0.00 H new ATOM 0 HA CYS A 71 8.818 12.863 5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.190 14.379 6.141 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.867 13.396 5.549 1.00 0.00 H new ATOM 0 HG CYS A 71 6.245 12.804 8.283 1.00 0.00 H new ATOM 1069 N LEU A 72 7.888 10.483 5.003 1.00 0.00 N ATOM 1070 CA LEU A 72 7.577 9.090 4.704 1.00 0.00 C ATOM 1071 C LEU A 72 6.259 8.674 5.350 1.00 0.00 C ATOM 1072 O LEU A 72 6.040 8.861 6.547 1.00 0.00 O ATOM 1073 CB LEU A 72 8.706 8.179 5.191 1.00 0.00 C ATOM 1074 CG LEU A 72 9.933 8.087 4.284 1.00 0.00 C ATOM 1075 CD1 LEU A 72 9.561 7.472 2.943 1.00 0.00 C ATOM 1076 CD2 LEU A 72 10.556 9.462 4.087 1.00 0.00 C ATOM 0 H LEU A 72 8.527 10.614 5.787 1.00 0.00 H new ATOM 0 HA LEU A 72 7.478 8.990 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.029 8.528 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.303 7.175 5.326 1.00 0.00 H new ATOM 0 HG LEU A 72 10.668 7.442 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.447 7.415 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.162 6.470 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.807 8.090 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 72 11.428 9.377 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.827 10.130 3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.860 9.865 5.053 1.00 0.00 H new ATOM 1088 N PRO A 73 5.360 8.095 4.540 1.00 0.00 N ATOM 1089 CA PRO A 73 4.049 7.638 5.011 1.00 0.00 C ATOM 1090 C PRO A 73 4.153 6.423 5.927 1.00 0.00 C ATOM 1091 O PRO A 73 5.086 5.629 5.817 1.00 0.00 O ATOM 1092 CB PRO A 73 3.316 7.272 3.719 1.00 0.00 C ATOM 1093 CG PRO A 73 4.398 6.948 2.748 1.00 0.00 C ATOM 1094 CD PRO A 73 5.554 7.841 3.103 1.00 0.00 C ATOM 0 HA PRO A 73 3.541 8.398 5.605 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.651 6.422 3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.701 8.099 3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.681 5.898 2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.069 7.124 1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.511 7.357 2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.540 8.766 2.526 1.00 0.00 H new ATOM 1102 N GLY A 74 3.189 6.285 6.832 1.00 0.00 N ATOM 1103 CA GLY A 74 3.191 5.164 7.753 1.00 0.00 C ATOM 1104 C GLY A 74 2.608 3.907 7.138 1.00 0.00 C ATOM 1105 O GLY A 74 1.436 3.592 7.347 1.00 0.00 O ATOM 0 H GLY A 74 2.407 6.930 6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.213 4.966 8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.620 5.428 8.643 1.00 0.00 H new ATOM 1109 N ILE A 75 3.426 3.188 6.377 1.00 0.00 N ATOM 1110 CA ILE A 75 2.983 1.959 5.729 1.00 0.00 C ATOM 1111 C ILE A 75 2.950 0.798 6.718 1.00 0.00 C ATOM 1112 O ILE A 75 3.851 0.646 7.543 1.00 0.00 O ATOM 1113 CB ILE A 75 3.896 1.586 4.547 1.00 0.00 C ATOM 1114 CG1 ILE A 75 3.958 2.736 3.539 1.00 0.00 C ATOM 1115 CG2 ILE A 75 3.401 0.313 3.877 1.00 0.00 C ATOM 1116 CD1 ILE A 75 5.217 2.738 2.701 1.00 0.00 C ATOM 0 H ILE A 75 4.399 3.435 6.194 1.00 0.00 H new ATOM 0 HA ILE A 75 1.976 2.144 5.355 1.00 0.00 H new ATOM 0 HB ILE A 75 4.902 1.406 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.092 2.677 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.887 3.682 4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.057 0.062 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.404 -0.503 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.387 0.467 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.192 3.580 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.087 2.828 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.280 1.807 2.137 1.00 0.00 H new ATOM 1128 N SER A 76 1.906 -0.019 6.627 1.00 0.00 N ATOM 1129 CA SER A 76 1.754 -1.166 7.515 1.00 0.00 C ATOM 1130 C SER A 76 1.170 -2.359 6.765 1.00 0.00 C ATOM 1131 O SER A 76 0.210 -2.220 6.007 1.00 0.00 O ATOM 1132 CB SER A 76 0.857 -0.805 8.700 1.00 0.00 C ATOM 1133 OG SER A 76 1.132 -1.631 9.818 1.00 0.00 O ATOM 0 H SER A 76 1.153 0.092 5.948 1.00 0.00 H new ATOM 0 HA SER A 76 2.741 -1.440 7.887 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.009 0.240 8.970 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.189 -0.912 8.414 1.00 0.00 H new ATOM 0 HG SER A 76 0.547 -1.379 10.563 1.00 0.00 H new ATOM 1139 N ILE A 77 1.757 -3.531 6.983 1.00 0.00 N ATOM 1140 CA ILE A 77 1.295 -4.750 6.329 1.00 0.00 C ATOM 1141 C ILE A 77 1.012 -5.847 7.349 1.00 0.00 C ATOM 1142 O ILE A 77 1.887 -6.227 8.126 1.00 0.00 O ATOM 1143 CB ILE A 77 2.325 -5.266 5.308 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.651 -4.177 4.283 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.802 -6.515 4.613 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.466 -3.772 3.434 1.00 0.00 C ATOM 0 H ILE A 77 2.553 -3.663 7.607 1.00 0.00 H new ATOM 0 HA ILE A 77 0.373 -4.498 5.806 1.00 0.00 H new ATOM 0 HB ILE A 77 3.241 -5.525 5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.030 -3.299 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.451 -4.530 3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.541 -6.868 3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.616 -7.293 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.873 -6.280 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.770 -2.997 2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.100 -4.638 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.673 -3.388 4.076 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.216 -6.355 7.338 1.00 0.00 N ATOM 1159 CA ASN A 78 -0.614 -7.412 8.262 1.00 0.00 C ATOM 1160 C ASN A 78 -1.805 -8.193 7.714 1.00 0.00 C ATOM 1161 O ASN A 78 -2.865 -7.625 7.451 1.00 0.00 O ATOM 1162 CB ASN A 78 -0.964 -6.818 9.628 1.00 0.00 C ATOM 1163 CG ASN A 78 -0.085 -5.636 9.987 1.00 0.00 C ATOM 1164 OD1 ASN A 78 1.024 -5.805 10.494 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -0.578 -4.431 9.725 1.00 0.00 N ATOM 0 H ASN A 78 -0.952 -6.053 6.700 1.00 0.00 H new ATOM 0 HA ASN A 78 0.226 -8.097 8.376 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.008 -6.504 9.628 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.863 -7.588 10.393 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.032 -3.598 9.945 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.502 -4.339 9.304 1.00 0.00 H new ATOM 1172 N SER A 79 -1.622 -9.499 7.546 1.00 0.00 N ATOM 1173 CA SER A 79 -2.679 -10.358 7.026 1.00 0.00 C ATOM 1174 C SER A 79 -2.955 -11.516 7.980 1.00 0.00 C ATOM 1175 O SER A 79 -2.061 -11.976 8.690 1.00 0.00 O ATOM 1176 CB SER A 79 -2.295 -10.898 5.647 1.00 0.00 C ATOM 1177 OG SER A 79 -3.108 -12.002 5.288 1.00 0.00 O ATOM 0 H SER A 79 -0.752 -9.985 7.762 1.00 0.00 H new ATOM 0 HA SER A 79 -3.586 -9.761 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.398 -10.109 4.902 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.247 -11.199 5.650 1.00 0.00 H new ATOM 0 HG SER A 79 -3.703 -11.745 4.553 1.00 0.00 H new ATOM 1183 N GLU A 80 -4.200 -11.982 7.990 1.00 0.00 N ATOM 1184 CA GLU A 80 -4.595 -13.086 8.857 1.00 0.00 C ATOM 1185 C GLU A 80 -3.912 -14.383 8.432 1.00 0.00 C ATOM 1186 O GLU A 80 -3.695 -15.278 9.248 1.00 0.00 O ATOM 1187 CB GLU A 80 -6.114 -13.265 8.833 1.00 0.00 C ATOM 1188 CG GLU A 80 -6.849 -12.365 9.813 1.00 0.00 C ATOM 1189 CD GLU A 80 -6.849 -12.918 11.225 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -7.428 -14.003 11.438 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -6.270 -12.264 12.117 1.00 0.00 O ATOM 0 H GLU A 80 -4.952 -11.613 7.408 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.281 -12.846 9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.479 -13.065 7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.352 -14.304 9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.385 -11.379 9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.878 -12.233 9.478 1.00 0.00 H new ATOM 1198 N GLN A 81 -3.578 -14.476 7.149 1.00 0.00 N ATOM 1199 CA GLN A 81 -2.922 -15.663 6.615 1.00 0.00 C ATOM 1200 C GLN A 81 -1.407 -15.556 6.752 1.00 0.00 C ATOM 1201 O GLN A 81 -0.775 -16.369 7.427 1.00 0.00 O ATOM 1202 CB GLN A 81 -3.300 -15.863 5.146 1.00 0.00 C ATOM 1203 CG GLN A 81 -4.788 -16.083 4.925 1.00 0.00 C ATOM 1204 CD GLN A 81 -5.078 -16.904 3.684 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -5.753 -17.932 3.749 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -4.570 -16.452 2.543 1.00 0.00 N ATOM 0 H GLN A 81 -3.751 -13.744 6.460 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.261 -16.524 7.191 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.982 -14.990 4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.752 -16.719 4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.210 -16.585 5.795 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.286 -15.117 4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.016 -15.595 2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.734 -16.962 1.675 1.00 0.00 H new ATOM 1215 N LEU A 82 -0.829 -14.548 6.108 1.00 0.00 N ATOM 1216 CA LEU A 82 0.613 -14.334 6.157 1.00 0.00 C ATOM 1217 C LEU A 82 1.097 -14.220 7.599 1.00 0.00 C ATOM 1218 O LEU A 82 0.386 -13.711 8.467 1.00 0.00 O ATOM 1219 CB LEU A 82 0.988 -13.071 5.380 1.00 0.00 C ATOM 1220 CG LEU A 82 0.693 -13.093 3.880 1.00 0.00 C ATOM 1221 CD1 LEU A 82 0.621 -11.678 3.329 1.00 0.00 C ATOM 1222 CD2 LEU A 82 1.750 -13.902 3.141 1.00 0.00 C ATOM 0 H LEU A 82 -1.337 -13.866 5.545 1.00 0.00 H new ATOM 0 HA LEU A 82 1.099 -15.194 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.459 -12.227 5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.053 -12.887 5.518 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.275 -13.570 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.410 -11.714 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.172 -11.130 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.573 -11.174 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.525 -13.907 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.730 -13.453 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.753 -14.925 3.516 1.00 0.00 H new ATOM 1234 N THR A 83 2.313 -14.696 7.849 1.00 0.00 N ATOM 1235 CA THR A 83 2.893 -14.647 9.185 1.00 0.00 C ATOM 1236 C THR A 83 3.504 -13.279 9.470 1.00 0.00 C ATOM 1237 O THR A 83 3.641 -12.451 8.570 1.00 0.00 O ATOM 1238 CB THR A 83 3.976 -15.727 9.368 1.00 0.00 C ATOM 1239 OG1 THR A 83 5.052 -15.503 8.450 1.00 0.00 O ATOM 1240 CG2 THR A 83 3.396 -17.117 9.148 1.00 0.00 C ATOM 0 H THR A 83 2.915 -15.120 7.143 1.00 0.00 H new ATOM 0 HA THR A 83 2.081 -14.834 9.888 1.00 0.00 H new ATOM 0 HB THR A 83 4.352 -15.664 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.737 -16.193 8.574 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.179 -17.863 9.282 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.597 -17.296 9.867 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.996 -17.189 8.136 1.00 0.00 H new ATOM 1248 N ARG A 84 3.869 -13.049 10.727 1.00 0.00 N ATOM 1249 CA ARG A 84 4.465 -11.781 11.130 1.00 0.00 C ATOM 1250 C ARG A 84 5.720 -11.486 10.312 1.00 0.00 C ATOM 1251 O ARG A 84 5.758 -10.529 9.540 1.00 0.00 O ATOM 1252 CB ARG A 84 4.808 -11.805 12.620 1.00 0.00 C ATOM 1253 CG ARG A 84 5.561 -10.572 13.092 1.00 0.00 C ATOM 1254 CD ARG A 84 5.717 -10.558 14.604 1.00 0.00 C ATOM 1255 NE ARG A 84 6.292 -9.305 15.084 1.00 0.00 N ATOM 1256 CZ ARG A 84 6.835 -9.159 16.288 1.00 0.00 C ATOM 1257 NH1 ARG A 84 6.876 -10.183 17.129 1.00 0.00 N ATOM 1258 NH2 ARG A 84 7.338 -7.986 16.652 1.00 0.00 N ATOM 0 H ARG A 84 3.762 -13.724 11.484 1.00 0.00 H new ATOM 0 HA ARG A 84 3.737 -10.991 10.945 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.887 -11.900 13.195 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.408 -12.690 12.832 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.545 -10.544 12.624 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.030 -9.676 12.772 1.00 0.00 H new ATOM 0 HD2 ARG A 84 4.744 -10.712 15.070 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.352 -11.389 14.910 1.00 0.00 H new ATOM 0 HE ARG A 84 6.276 -8.497 14.461 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.490 -11.086 16.852 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.293 -10.068 18.053 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.308 -7.196 16.007 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.755 -7.874 17.576 1.00 0.00 H new ATOM 1272 N ALA A 85 6.743 -12.315 10.490 1.00 0.00 N ATOM 1273 CA ALA A 85 7.998 -12.144 9.768 1.00 0.00 C ATOM 1274 C ALA A 85 7.748 -11.846 8.294 1.00 0.00 C ATOM 1275 O ALA A 85 8.471 -11.064 7.678 1.00 0.00 O ATOM 1276 CB ALA A 85 8.867 -13.384 9.918 1.00 0.00 C ATOM 0 H ALA A 85 6.728 -13.111 11.127 1.00 0.00 H new ATOM 0 HA ALA A 85 8.523 -11.292 10.200 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.801 -13.242 9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.084 -13.551 10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.340 -14.249 9.515 1.00 0.00 H new ATOM 1282 N GLN A 86 6.719 -12.475 7.734 1.00 0.00 N ATOM 1283 CA GLN A 86 6.375 -12.278 6.331 1.00 0.00 C ATOM 1284 C GLN A 86 5.823 -10.875 6.098 1.00 0.00 C ATOM 1285 O GLN A 86 6.440 -10.062 5.409 1.00 0.00 O ATOM 1286 CB GLN A 86 5.351 -13.322 5.883 1.00 0.00 C ATOM 1287 CG GLN A 86 5.925 -14.725 5.764 1.00 0.00 C ATOM 1288 CD GLN A 86 6.972 -14.836 4.674 1.00 0.00 C ATOM 1289 OE1 GLN A 86 7.237 -13.875 3.951 1.00 0.00 O ATOM 1290 NE2 GLN A 86 7.575 -16.013 4.550 1.00 0.00 N ATOM 0 H GLN A 86 6.110 -13.125 8.231 1.00 0.00 H new ATOM 0 HA GLN A 86 7.284 -12.394 5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.524 -13.336 6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.939 -13.024 4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.366 -15.015 6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.117 -15.428 5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.324 -16.782 5.171 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.289 -16.147 3.834 1.00 0.00 H new ATOM 1299 N CYS A 87 4.660 -10.599 6.676 1.00 0.00 N ATOM 1300 CA CYS A 87 4.024 -9.294 6.530 1.00 0.00 C ATOM 1301 C CYS A 87 5.018 -8.171 6.808 1.00 0.00 C ATOM 1302 O CYS A 87 4.926 -7.088 6.230 1.00 0.00 O ATOM 1303 CB CYS A 87 2.828 -9.178 7.475 1.00 0.00 C ATOM 1304 SG CYS A 87 3.278 -8.942 9.211 1.00 0.00 S ATOM 0 H CYS A 87 4.138 -11.261 7.250 1.00 0.00 H new ATOM 0 HA CYS A 87 3.675 -9.200 5.502 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.206 -8.342 7.155 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.221 -10.079 7.388 1.00 0.00 H new ATOM 0 HG CYS A 87 4.378 -9.587 9.466 1.00 0.00 H new ATOM 1310 N VAL A 88 5.968 -8.436 7.699 1.00 0.00 N ATOM 1311 CA VAL A 88 6.980 -7.447 8.055 1.00 0.00 C ATOM 1312 C VAL A 88 7.892 -7.144 6.872 1.00 0.00 C ATOM 1313 O VAL A 88 8.190 -5.984 6.584 1.00 0.00 O ATOM 1314 CB VAL A 88 7.838 -7.925 9.242 1.00 0.00 C ATOM 1315 CG1 VAL A 88 8.954 -6.931 9.528 1.00 0.00 C ATOM 1316 CG2 VAL A 88 6.972 -8.135 10.474 1.00 0.00 C ATOM 0 H VAL A 88 6.058 -9.327 8.188 1.00 0.00 H new ATOM 0 HA VAL A 88 6.449 -6.539 8.342 1.00 0.00 H new ATOM 0 HB VAL A 88 8.293 -8.880 8.978 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.550 -7.285 10.369 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.590 -6.835 8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.523 -5.960 9.772 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.594 -8.473 11.303 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.488 -7.196 10.743 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.212 -8.887 10.261 1.00 0.00 H new ATOM 1326 N THR A 89 8.333 -8.195 6.187 1.00 0.00 N ATOM 1327 CA THR A 89 9.212 -8.042 5.035 1.00 0.00 C ATOM 1328 C THR A 89 8.541 -7.225 3.936 1.00 0.00 C ATOM 1329 O THR A 89 9.174 -6.380 3.303 1.00 0.00 O ATOM 1330 CB THR A 89 9.628 -9.409 4.460 1.00 0.00 C ATOM 1331 OG1 THR A 89 10.390 -10.136 5.430 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.449 -9.235 3.191 1.00 0.00 C ATOM 0 H THR A 89 8.095 -9.161 6.411 1.00 0.00 H new ATOM 0 HA THR A 89 10.101 -7.517 5.384 1.00 0.00 H new ATOM 0 HB THR A 89 8.724 -9.966 4.216 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.796 -10.451 6.143 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.731 -10.214 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.857 -8.706 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.348 -8.661 3.415 1.00 0.00 H new ATOM 1340 N VAL A 90 7.256 -7.481 3.715 1.00 0.00 N ATOM 1341 CA VAL A 90 6.498 -6.768 2.694 1.00 0.00 C ATOM 1342 C VAL A 90 6.570 -5.260 2.909 1.00 0.00 C ATOM 1343 O VAL A 90 6.984 -4.514 2.022 1.00 0.00 O ATOM 1344 CB VAL A 90 5.021 -7.204 2.684 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.238 -6.412 1.648 1.00 0.00 C ATOM 1346 CG2 VAL A 90 4.909 -8.698 2.421 1.00 0.00 C ATOM 0 H VAL A 90 6.717 -8.178 4.230 1.00 0.00 H new ATOM 0 HA VAL A 90 6.949 -7.017 1.733 1.00 0.00 H new ATOM 0 HB VAL A 90 4.592 -6.998 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.197 -6.734 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.291 -5.350 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.664 -6.585 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.859 -8.989 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.354 -8.931 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.434 -9.246 3.203 1.00 0.00 H new ATOM 1356 N LYS A 91 6.165 -4.817 4.095 1.00 0.00 N ATOM 1357 CA LYS A 91 6.184 -3.398 4.429 1.00 0.00 C ATOM 1358 C LYS A 91 7.567 -2.801 4.189 1.00 0.00 C ATOM 1359 O LYS A 91 7.715 -1.839 3.436 1.00 0.00 O ATOM 1360 CB LYS A 91 5.775 -3.192 5.890 1.00 0.00 C ATOM 1361 CG LYS A 91 5.955 -1.764 6.376 1.00 0.00 C ATOM 1362 CD LYS A 91 5.969 -1.690 7.893 1.00 0.00 C ATOM 1363 CE LYS A 91 6.481 -0.343 8.380 1.00 0.00 C ATOM 1364 NZ LYS A 91 5.959 -0.008 9.734 1.00 0.00 N ATOM 0 H LYS A 91 5.820 -5.421 4.841 1.00 0.00 H new ATOM 0 HA LYS A 91 5.470 -2.888 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.730 -3.479 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.363 -3.859 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.887 -1.359 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.148 -1.142 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.962 -1.858 8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.599 -2.486 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.571 -0.356 8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.187 0.434 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.331 0.917 10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.920 0.029 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.261 -0.736 10.412 1.00 0.00 H new ATOM 1378 N GLU A 92 8.577 -3.380 4.832 1.00 0.00 N ATOM 1379 CA GLU A 92 9.947 -2.904 4.686 1.00 0.00 C ATOM 1380 C GLU A 92 10.244 -2.535 3.235 1.00 0.00 C ATOM 1381 O GLU A 92 10.875 -1.515 2.958 1.00 0.00 O ATOM 1382 CB GLU A 92 10.935 -3.971 5.164 1.00 0.00 C ATOM 1383 CG GLU A 92 11.079 -4.033 6.676 1.00 0.00 C ATOM 1384 CD GLU A 92 11.301 -2.668 7.297 1.00 0.00 C ATOM 1385 OE1 GLU A 92 11.847 -1.783 6.604 1.00 0.00 O ATOM 1386 OE2 GLU A 92 10.931 -2.484 8.475 1.00 0.00 O ATOM 0 H GLU A 92 8.472 -4.178 5.458 1.00 0.00 H new ATOM 0 HA GLU A 92 10.061 -2.011 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.610 -4.945 4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.912 -3.774 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.183 -4.482 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.915 -4.684 6.931 1.00 0.00 H new ATOM 1393 N LYS A 93 9.784 -3.374 2.312 1.00 0.00 N ATOM 1394 CA LYS A 93 9.998 -3.138 0.889 1.00 0.00 C ATOM 1395 C LYS A 93 9.310 -1.852 0.442 1.00 0.00 C ATOM 1396 O LYS A 93 9.920 -1.005 -0.213 1.00 0.00 O ATOM 1397 CB LYS A 93 9.475 -4.320 0.071 1.00 0.00 C ATOM 1398 CG LYS A 93 10.272 -5.598 0.271 1.00 0.00 C ATOM 1399 CD LYS A 93 11.662 -5.488 -0.331 1.00 0.00 C ATOM 1400 CE LYS A 93 12.193 -6.847 -0.761 1.00 0.00 C ATOM 1401 NZ LYS A 93 11.608 -7.286 -2.059 1.00 0.00 N ATOM 0 H LYS A 93 9.261 -4.223 2.524 1.00 0.00 H new ATOM 0 HA LYS A 93 11.070 -3.034 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.435 -4.505 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.489 -4.054 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.352 -5.815 1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.742 -6.434 -0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.635 -4.818 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.341 -5.045 0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.279 -6.802 -0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.966 -7.585 0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.338 -8.288 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.766 -6.713 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.311 -7.163 -2.816 1.00 0.00 H new ATOM 1415 N LEU A 94 8.039 -1.712 0.799 1.00 0.00 N ATOM 1416 CA LEU A 94 7.268 -0.528 0.435 1.00 0.00 C ATOM 1417 C LEU A 94 7.972 0.744 0.897 1.00 0.00 C ATOM 1418 O LEU A 94 8.033 1.733 0.166 1.00 0.00 O ATOM 1419 CB LEU A 94 5.867 -0.599 1.045 1.00 0.00 C ATOM 1420 CG LEU A 94 5.017 -1.803 0.637 1.00 0.00 C ATOM 1421 CD1 LEU A 94 3.785 -1.911 1.521 1.00 0.00 C ATOM 1422 CD2 LEU A 94 4.618 -1.701 -0.828 1.00 0.00 C ATOM 0 H LEU A 94 7.520 -2.403 1.340 1.00 0.00 H new ATOM 0 HA LEU A 94 7.183 -0.501 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.965 -0.600 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.328 0.309 0.774 1.00 0.00 H new ATOM 0 HG LEU A 94 5.613 -2.706 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.193 -2.773 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.092 -2.031 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.186 -1.006 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.014 -2.566 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.040 -0.790 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.514 -1.674 -1.448 1.00 0.00 H new ATOM 1434 N LEU A 95 8.505 0.710 2.113 1.00 0.00 N ATOM 1435 CA LEU A 95 9.208 1.859 2.673 1.00 0.00 C ATOM 1436 C LEU A 95 10.271 2.370 1.706 1.00 0.00 C ATOM 1437 O LEU A 95 10.277 3.545 1.340 1.00 0.00 O ATOM 1438 CB LEU A 95 9.854 1.486 4.008 1.00 0.00 C ATOM 1439 CG LEU A 95 8.997 1.712 5.255 1.00 0.00 C ATOM 1440 CD1 LEU A 95 8.709 3.194 5.442 1.00 0.00 C ATOM 1441 CD2 LEU A 95 7.700 0.922 5.161 1.00 0.00 C ATOM 0 H LEU A 95 8.464 -0.101 2.730 1.00 0.00 H new ATOM 0 HA LEU A 95 8.481 2.654 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.136 0.434 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.775 2.059 4.116 1.00 0.00 H new ATOM 0 HG LEU A 95 9.552 1.358 6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.098 3.336 6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.648 3.736 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.174 3.573 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.103 1.095 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.140 1.245 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.927 -0.141 5.076 1.00 0.00 H new ATOM 1453 N GLU A 96 11.168 1.479 1.295 1.00 0.00 N ATOM 1454 CA GLU A 96 12.235 1.841 0.369 1.00 0.00 C ATOM 1455 C GLU A 96 11.679 2.601 -0.832 1.00 0.00 C ATOM 1456 O GLU A 96 12.122 3.707 -1.138 1.00 0.00 O ATOM 1457 CB GLU A 96 12.976 0.589 -0.104 1.00 0.00 C ATOM 1458 CG GLU A 96 13.784 -0.089 0.990 1.00 0.00 C ATOM 1459 CD GLU A 96 15.004 0.713 1.398 1.00 0.00 C ATOM 1460 OE1 GLU A 96 14.830 1.818 1.953 1.00 0.00 O ATOM 1461 OE2 GLU A 96 16.134 0.235 1.161 1.00 0.00 O ATOM 0 H GLU A 96 11.177 0.502 1.588 1.00 0.00 H new ATOM 0 HA GLU A 96 12.934 2.491 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.253 -0.122 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.643 0.859 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.149 -0.245 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.100 -1.074 0.646 1.00 0.00 H new ATOM 1468 N GLN A 97 10.706 1.997 -1.508 1.00 0.00 N ATOM 1469 CA GLN A 97 10.091 2.615 -2.676 1.00 0.00 C ATOM 1470 C GLN A 97 9.554 4.003 -2.338 1.00 0.00 C ATOM 1471 O GLN A 97 9.795 4.966 -3.065 1.00 0.00 O ATOM 1472 CB GLN A 97 8.960 1.734 -3.209 1.00 0.00 C ATOM 1473 CG GLN A 97 9.448 0.483 -3.922 1.00 0.00 C ATOM 1474 CD GLN A 97 9.978 0.773 -5.312 1.00 0.00 C ATOM 1475 OE1 GLN A 97 10.588 1.815 -5.552 1.00 0.00 O ATOM 1476 NE2 GLN A 97 9.747 -0.150 -6.238 1.00 0.00 N ATOM 0 H GLN A 97 10.327 1.081 -1.267 1.00 0.00 H new ATOM 0 HA GLN A 97 10.855 2.718 -3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.317 1.442 -2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.348 2.319 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.233 0.014 -3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.630 -0.234 -3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.237 -0.999 -5.995 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.080 -0.010 -7.192 1.00 0.00 H new ATOM 1485 N ALA A 98 8.826 4.097 -1.230 1.00 0.00 N ATOM 1486 CA ALA A 98 8.257 5.366 -0.796 1.00 0.00 C ATOM 1487 C ALA A 98 9.282 6.491 -0.899 1.00 0.00 C ATOM 1488 O ALA A 98 9.066 7.475 -1.605 1.00 0.00 O ATOM 1489 CB ALA A 98 7.738 5.251 0.630 1.00 0.00 C ATOM 0 H ALA A 98 8.617 3.309 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 98 7.424 5.607 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.316 6.206 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.968 4.481 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.559 4.983 1.295 1.00 0.00 H new ATOM 1495 N GLU A 99 10.395 6.338 -0.189 1.00 0.00 N ATOM 1496 CA GLU A 99 11.452 7.342 -0.201 1.00 0.00 C ATOM 1497 C GLU A 99 11.764 7.788 -1.627 1.00 0.00 C ATOM 1498 O GLU A 99 11.559 8.948 -1.985 1.00 0.00 O ATOM 1499 CB GLU A 99 12.717 6.792 0.461 1.00 0.00 C ATOM 1500 CG GLU A 99 12.756 7.000 1.966 1.00 0.00 C ATOM 1501 CD GLU A 99 14.094 6.625 2.572 1.00 0.00 C ATOM 1502 OE1 GLU A 99 14.683 5.616 2.131 1.00 0.00 O ATOM 1503 OE2 GLU A 99 14.553 7.340 3.488 1.00 0.00 O ATOM 0 H GLU A 99 10.588 5.529 0.401 1.00 0.00 H new ATOM 0 HA GLU A 99 11.102 8.206 0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.794 5.726 0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.588 7.270 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.540 8.044 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.971 6.405 2.432 1.00 0.00 H new ATOM 1510 N SER A 100 12.260 6.857 -2.436 1.00 0.00 N ATOM 1511 CA SER A 100 12.605 7.154 -3.821 1.00 0.00 C ATOM 1512 C SER A 100 11.434 7.814 -4.543 1.00 0.00 C ATOM 1513 O SER A 100 11.624 8.688 -5.390 1.00 0.00 O ATOM 1514 CB SER A 100 13.014 5.874 -4.553 1.00 0.00 C ATOM 1515 OG SER A 100 13.335 6.141 -5.907 1.00 0.00 O ATOM 0 H SER A 100 12.432 5.891 -2.156 1.00 0.00 H new ATOM 0 HA SER A 100 13.446 7.848 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.873 5.425 -4.054 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.202 5.149 -4.505 1.00 0.00 H new ATOM 0 HG SER A 100 13.594 5.307 -6.352 1.00 0.00 H new ATOM 1521 N LEU A 101 10.222 7.388 -4.203 1.00 0.00 N ATOM 1522 CA LEU A 101 9.018 7.937 -4.817 1.00 0.00 C ATOM 1523 C LEU A 101 8.478 9.110 -4.005 1.00 0.00 C ATOM 1524 O LEU A 101 7.266 9.275 -3.864 1.00 0.00 O ATOM 1525 CB LEU A 101 7.946 6.852 -4.942 1.00 0.00 C ATOM 1526 CG LEU A 101 8.070 5.923 -6.150 1.00 0.00 C ATOM 1527 CD1 LEU A 101 7.415 4.581 -5.861 1.00 0.00 C ATOM 1528 CD2 LEU A 101 7.451 6.566 -7.383 1.00 0.00 C ATOM 0 H LEU A 101 10.047 6.664 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 101 9.280 8.298 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.966 6.244 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.970 7.336 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 101 9.129 5.753 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.513 3.933 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.903 4.115 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.359 4.732 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.548 5.891 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.396 6.767 -7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.965 7.502 -7.602 1.00 0.00 H new ATOM 1540 N LEU A 102 9.385 9.923 -3.475 1.00 0.00 N ATOM 1541 CA LEU A 102 9.000 11.083 -2.679 1.00 0.00 C ATOM 1542 C LEU A 102 8.493 12.212 -3.571 1.00 0.00 C ATOM 1543 O LEU A 102 8.740 12.222 -4.777 1.00 0.00 O ATOM 1544 CB LEU A 102 10.187 11.570 -1.845 1.00 0.00 C ATOM 1545 CG LEU A 102 10.322 10.959 -0.450 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.779 10.942 -0.014 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.472 11.726 0.553 1.00 0.00 C ATOM 0 H LEU A 102 10.392 9.800 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 102 8.193 10.783 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.103 11.366 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.112 12.652 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 102 9.963 9.930 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.856 10.504 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.363 10.349 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.164 11.961 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.580 11.277 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.800 12.765 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.426 11.686 0.249 1.00 0.00 H new ATOM 1559 N SER A 103 7.785 13.162 -2.969 1.00 0.00 N ATOM 1560 CA SER A 103 7.242 14.295 -3.709 1.00 0.00 C ATOM 1561 C SER A 103 6.351 13.820 -4.853 1.00 0.00 C ATOM 1562 O SER A 103 6.376 14.383 -5.947 1.00 0.00 O ATOM 1563 CB SER A 103 8.376 15.164 -4.258 1.00 0.00 C ATOM 1564 OG SER A 103 7.951 16.504 -4.436 1.00 0.00 O ATOM 0 H SER A 103 7.574 13.170 -1.971 1.00 0.00 H new ATOM 0 HA SER A 103 6.638 14.889 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.224 15.136 -3.574 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.721 14.759 -5.209 1.00 0.00 H new ATOM 0 HG SER A 103 8.694 17.039 -4.786 1.00 0.00 H new ATOM 1570 N GLU A 104 5.565 12.781 -4.590 1.00 0.00 N ATOM 1571 CA GLU A 104 4.666 12.230 -5.597 1.00 0.00 C ATOM 1572 C GLU A 104 3.655 11.279 -4.962 1.00 0.00 C ATOM 1573 O GLU A 104 3.890 10.702 -3.900 1.00 0.00 O ATOM 1574 CB GLU A 104 5.464 11.497 -6.678 1.00 0.00 C ATOM 1575 CG GLU A 104 6.498 10.532 -6.122 1.00 0.00 C ATOM 1576 CD GLU A 104 7.551 10.153 -7.145 1.00 0.00 C ATOM 1577 OE1 GLU A 104 7.179 9.612 -8.207 1.00 0.00 O ATOM 1578 OE2 GLU A 104 8.747 10.398 -6.883 1.00 0.00 O ATOM 0 H GLU A 104 5.533 12.304 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 104 4.123 13.057 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.773 10.947 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.966 12.231 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.983 10.984 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.996 9.630 -5.771 1.00 0.00 H new ATOM 1585 N PRO A 105 2.503 11.110 -5.628 1.00 0.00 N ATOM 1586 CA PRO A 105 1.433 10.230 -5.149 1.00 0.00 C ATOM 1587 C PRO A 105 1.813 8.756 -5.235 1.00 0.00 C ATOM 1588 O PRO A 105 1.535 8.091 -6.233 1.00 0.00 O ATOM 1589 CB PRO A 105 0.270 10.539 -6.094 1.00 0.00 C ATOM 1590 CG PRO A 105 0.916 11.038 -7.340 1.00 0.00 C ATOM 1591 CD PRO A 105 2.156 11.765 -6.900 1.00 0.00 C ATOM 0 HA PRO A 105 1.203 10.403 -4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.329 9.650 -6.288 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.398 11.287 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.163 10.213 -8.009 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.247 11.702 -7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.958 11.671 -7.632 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.971 12.831 -6.766 1.00 0.00 H new ATOM 1599 N MET A 106 2.449 8.250 -4.184 1.00 0.00 N ATOM 1600 CA MET A 106 2.865 6.853 -4.141 1.00 0.00 C ATOM 1601 C MET A 106 1.727 5.962 -3.654 1.00 0.00 C ATOM 1602 O MET A 106 1.616 4.804 -4.057 1.00 0.00 O ATOM 1603 CB MET A 106 4.083 6.689 -3.230 1.00 0.00 C ATOM 1604 CG MET A 106 3.813 7.062 -1.782 1.00 0.00 C ATOM 1605 SD MET A 106 4.148 8.800 -1.439 1.00 0.00 S ATOM 1606 CE MET A 106 5.905 8.745 -1.094 1.00 0.00 C ATOM 0 H MET A 106 2.688 8.787 -3.350 1.00 0.00 H new ATOM 0 HA MET A 106 3.134 6.548 -5.152 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.422 5.654 -3.273 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.897 7.307 -3.610 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.773 6.842 -1.542 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.428 6.442 -1.130 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.327 9.745 -1.196 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.065 8.385 -0.078 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.393 8.072 -1.798 1.00 0.00 H new ATOM 1616 N VAL A 107 0.883 6.509 -2.784 1.00 0.00 N ATOM 1617 CA VAL A 107 -0.247 5.763 -2.243 1.00 0.00 C ATOM 1618 C VAL A 107 -0.839 4.826 -3.290 1.00 0.00 C ATOM 1619 O VAL A 107 -1.011 3.632 -3.043 1.00 0.00 O ATOM 1620 CB VAL A 107 -1.350 6.708 -1.733 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.537 5.912 -1.212 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.804 7.632 -0.655 1.00 0.00 C ATOM 0 H VAL A 107 0.961 7.466 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 107 0.132 5.175 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.692 7.321 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.306 6.597 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.943 5.296 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.214 5.271 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.597 8.293 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.433 7.038 0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.011 8.228 -1.065 1.00 0.00 H new ATOM 1632 N HIS A 108 -1.149 5.375 -4.460 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.722 4.588 -5.546 1.00 0.00 C ATOM 1634 C HIS A 108 -0.681 3.643 -6.140 1.00 0.00 C ATOM 1635 O HIS A 108 -0.902 2.436 -6.223 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.273 5.508 -6.636 1.00 0.00 C ATOM 1637 CG HIS A 108 -2.989 4.779 -7.730 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -2.867 5.112 -9.063 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -3.838 3.726 -7.684 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -3.611 4.297 -9.788 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -4.211 3.446 -8.976 1.00 0.00 N ATOM 0 H HIS A 108 -1.013 6.362 -4.680 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.538 3.992 -5.138 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -2.956 6.227 -6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.451 6.078 -7.068 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -2.292 5.870 -9.431 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -4.162 3.203 -6.796 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.712 4.322 -10.863 1.00 0.00 H new ATOM 1650 N GLU A 109 0.453 4.202 -6.551 1.00 0.00 N ATOM 1651 CA GLU A 109 1.526 3.409 -7.138 1.00 0.00 C ATOM 1652 C GLU A 109 1.806 2.166 -6.298 1.00 0.00 C ATOM 1653 O GLU A 109 1.573 1.039 -6.739 1.00 0.00 O ATOM 1654 CB GLU A 109 2.799 4.248 -7.266 1.00 0.00 C ATOM 1655 CG GLU A 109 2.662 5.419 -8.225 1.00 0.00 C ATOM 1656 CD GLU A 109 2.091 5.009 -9.569 1.00 0.00 C ATOM 1657 OE1 GLU A 109 2.593 4.025 -10.152 1.00 0.00 O ATOM 1658 OE2 GLU A 109 1.142 5.672 -10.036 1.00 0.00 O ATOM 0 H GLU A 109 0.652 5.200 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 109 1.207 3.092 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.076 4.626 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.614 3.607 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.019 6.177 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.639 5.878 -8.374 1.00 0.00 H new ATOM 1665 N LEU A 110 2.306 2.378 -5.086 1.00 0.00 N ATOM 1666 CA LEU A 110 2.618 1.276 -4.183 1.00 0.00 C ATOM 1667 C LEU A 110 1.606 0.145 -4.334 1.00 0.00 C ATOM 1668 O LEU A 110 1.954 -0.965 -4.737 1.00 0.00 O ATOM 1669 CB LEU A 110 2.639 1.767 -2.735 1.00 0.00 C ATOM 1670 CG LEU A 110 3.741 2.767 -2.381 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.307 3.651 -1.222 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.034 2.039 -2.045 1.00 0.00 C ATOM 0 H LEU A 110 2.504 3.303 -4.706 1.00 0.00 H new ATOM 0 HA LEU A 110 3.605 0.893 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.675 2.226 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.738 0.901 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 110 3.921 3.403 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.103 4.356 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.407 4.200 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.099 3.031 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.807 2.766 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.869 1.379 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.354 1.450 -2.905 1.00 0.00 H new ATOM 1684 N VAL A 111 0.350 0.435 -4.008 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.715 -0.556 -4.111 1.00 0.00 C ATOM 1686 C VAL A 111 -0.515 -1.453 -5.327 1.00 0.00 C ATOM 1687 O VAL A 111 -0.430 -2.676 -5.204 1.00 0.00 O ATOM 1688 CB VAL A 111 -2.098 0.113 -4.202 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -3.188 -0.934 -4.375 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.359 0.967 -2.970 1.00 0.00 C ATOM 0 H VAL A 111 0.045 1.348 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.672 -1.161 -3.206 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.110 0.764 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.159 -0.442 -4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.008 -1.499 -5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.179 -1.613 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.341 1.432 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.327 0.340 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.596 1.741 -2.896 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.440 -0.839 -6.502 1.00 0.00 N ATOM 1701 CA LEU A 112 -0.250 -1.581 -7.744 1.00 0.00 C ATOM 1702 C LEU A 112 1.087 -2.316 -7.739 1.00 0.00 C ATOM 1703 O LEU A 112 1.168 -3.480 -8.132 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.321 -0.635 -8.943 1.00 0.00 C ATOM 1705 CG LEU A 112 -1.674 0.032 -9.193 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -1.508 1.260 -10.075 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -2.646 -0.953 -9.824 1.00 0.00 C ATOM 0 H LEU A 112 -0.508 0.172 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.049 -2.318 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.427 0.146 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.043 -1.193 -9.837 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.083 0.351 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.481 1.722 -10.242 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.847 1.974 -9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.077 0.965 -11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.603 -0.461 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.243 -1.303 -10.775 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.789 -1.802 -9.156 1.00 0.00 H new ATOM 1719 N TRP A 113 2.131 -1.630 -7.290 1.00 0.00 N ATOM 1720 CA TRP A 113 3.464 -2.219 -7.232 1.00 0.00 C ATOM 1721 C TRP A 113 3.417 -3.614 -6.620 1.00 0.00 C ATOM 1722 O TRP A 113 3.660 -4.610 -7.302 1.00 0.00 O ATOM 1723 CB TRP A 113 4.404 -1.324 -6.422 1.00 0.00 C ATOM 1724 CG TRP A 113 5.808 -1.845 -6.354 1.00 0.00 C ATOM 1725 CD1 TRP A 113 6.783 -1.700 -7.300 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.393 -2.596 -5.285 1.00 0.00 C ATOM 1727 NE1 TRP A 113 7.938 -2.315 -6.882 1.00 0.00 N ATOM 1728 CE2 TRP A 113 7.725 -2.872 -5.649 1.00 0.00 C ATOM 1729 CE3 TRP A 113 5.921 -3.060 -4.054 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.587 -3.592 -4.826 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 6.778 -3.775 -3.239 1.00 0.00 C ATOM 1732 CH2 TRP A 113 8.099 -4.034 -3.627 1.00 0.00 C ATOM 0 H TRP A 113 2.081 -0.666 -6.961 1.00 0.00 H new ATOM 0 HA TRP A 113 3.842 -2.303 -8.251 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.415 -0.327 -6.863 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.013 -1.220 -5.410 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.663 -1.179 -8.238 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.813 -2.351 -7.405 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.905 -2.863 -3.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.605 -3.794 -5.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.423 -4.140 -2.287 1.00 0.00 H new ATOM 0 HH2 TRP A 113 8.745 -4.594 -2.966 1.00 0.00 H new ATOM 1743 N ILE A 114 3.104 -3.679 -5.330 1.00 0.00 N ATOM 1744 CA ILE A 114 3.024 -4.954 -4.627 1.00 0.00 C ATOM 1745 C ILE A 114 2.091 -5.921 -5.348 1.00 0.00 C ATOM 1746 O ILE A 114 2.390 -7.108 -5.474 1.00 0.00 O ATOM 1747 CB ILE A 114 2.533 -4.768 -3.179 1.00 0.00 C ATOM 1748 CG1 ILE A 114 2.358 -6.128 -2.499 1.00 0.00 C ATOM 1749 CG2 ILE A 114 1.228 -3.987 -3.158 1.00 0.00 C ATOM 1750 CD1 ILE A 114 3.666 -6.820 -2.187 1.00 0.00 C ATOM 0 H ILE A 114 2.902 -2.864 -4.751 1.00 0.00 H new ATOM 0 HA ILE A 114 4.032 -5.369 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 114 3.282 -4.200 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.798 -5.993 -1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.760 -6.773 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.894 -3.864 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.383 -3.007 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.470 -4.530 -3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 114 3.465 -7.778 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.219 -6.987 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.258 -6.195 -1.518 1.00 0.00 H new ATOM 1762 N GLN A 115 0.962 -5.405 -5.821 1.00 0.00 N ATOM 1763 CA GLN A 115 -0.014 -6.223 -6.531 1.00 0.00 C ATOM 1764 C GLN A 115 0.636 -6.952 -7.702 1.00 0.00 C ATOM 1765 O GLN A 115 0.186 -8.024 -8.105 1.00 0.00 O ATOM 1766 CB GLN A 115 -1.170 -5.356 -7.032 1.00 0.00 C ATOM 1767 CG GLN A 115 -2.250 -5.119 -5.988 1.00 0.00 C ATOM 1768 CD GLN A 115 -3.440 -4.362 -6.542 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -3.350 -3.169 -6.837 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -4.566 -5.051 -6.686 1.00 0.00 N ATOM 0 H GLN A 115 0.700 -4.424 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.403 -6.966 -5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.776 -4.394 -7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.618 -5.831 -7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.586 -6.078 -5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.826 -4.562 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.597 -6.038 -6.429 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -5.400 -4.594 -7.053 1.00 0.00 H new ATOM 1779 N GLN A 116 1.696 -6.362 -8.245 1.00 0.00 N ATOM 1780 CA GLN A 116 2.407 -6.955 -9.372 1.00 0.00 C ATOM 1781 C GLN A 116 3.597 -7.779 -8.892 1.00 0.00 C ATOM 1782 O GLN A 116 3.755 -8.938 -9.272 1.00 0.00 O ATOM 1783 CB GLN A 116 2.881 -5.864 -10.334 1.00 0.00 C ATOM 1784 CG GLN A 116 1.857 -5.504 -11.398 1.00 0.00 C ATOM 1785 CD GLN A 116 1.470 -6.689 -12.261 1.00 0.00 C ATOM 1786 OE1 GLN A 116 0.366 -7.221 -12.146 1.00 0.00 O ATOM 1787 NE2 GLN A 116 2.380 -7.109 -13.132 1.00 0.00 N ATOM 0 H GLN A 116 2.081 -5.474 -7.923 1.00 0.00 H new ATOM 0 HA GLN A 116 1.718 -7.617 -9.896 1.00 0.00 H new ATOM 0 HB2 GLN A 116 3.128 -4.970 -9.762 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.798 -6.194 -10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.965 -5.103 -10.917 1.00 0.00 H new ATOM 0 HG3 GLN A 116 2.260 -4.714 -12.032 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.283 -6.638 -13.194 1.00 0.00 H new ATOM 0 HE22 GLN A 116 2.176 -7.903 -13.740 1.00 0.00 H new ATOM 1796 N ASN A 117 4.431 -7.172 -8.054 1.00 0.00 N ATOM 1797 CA ASN A 117 5.608 -7.849 -7.522 1.00 0.00 C ATOM 1798 C ASN A 117 5.274 -8.585 -6.228 1.00 0.00 C ATOM 1799 O ASN A 117 6.096 -8.660 -5.313 1.00 0.00 O ATOM 1800 CB ASN A 117 6.733 -6.843 -7.274 1.00 0.00 C ATOM 1801 CG ASN A 117 6.208 -5.462 -6.931 1.00 0.00 C ATOM 1802 OD1 ASN A 117 5.861 -5.185 -5.783 1.00 0.00 O ATOM 1803 ND2 ASN A 117 6.148 -4.587 -7.928 1.00 0.00 N ATOM 0 H ASN A 117 4.314 -6.212 -7.729 1.00 0.00 H new ATOM 0 HA ASN A 117 5.940 -8.580 -8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 117 7.364 -7.201 -6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.362 -6.779 -8.162 1.00 0.00 H new ATOM 0 HD21 ASN A 117 5.804 -3.642 -7.757 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.446 -4.860 -8.865 1.00 0.00 H new ATOM 1810 N LEU A 118 4.063 -9.127 -6.157 1.00 0.00 N ATOM 1811 CA LEU A 118 3.619 -9.857 -4.975 1.00 0.00 C ATOM 1812 C LEU A 118 4.510 -11.069 -4.718 1.00 0.00 C ATOM 1813 O LEU A 118 5.238 -11.117 -3.727 1.00 0.00 O ATOM 1814 CB LEU A 118 2.166 -10.305 -5.144 1.00 0.00 C ATOM 1815 CG LEU A 118 1.422 -10.668 -3.858 1.00 0.00 C ATOM 1816 CD1 LEU A 118 2.094 -11.843 -3.166 1.00 0.00 C ATOM 1817 CD2 LEU A 118 1.352 -9.467 -2.926 1.00 0.00 C ATOM 0 H LEU A 118 3.371 -9.075 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 118 3.689 -9.188 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.617 -9.508 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.148 -11.170 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 118 0.405 -10.960 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.551 -12.087 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.092 -12.707 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.122 -11.579 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.819 -9.743 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.362 -9.144 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.825 -8.652 -3.422 1.00 0.00 H new ATOM 1829 N ARG A 119 4.448 -12.044 -5.618 1.00 0.00 N ATOM 1830 CA ARG A 119 5.249 -13.255 -5.489 1.00 0.00 C ATOM 1831 C ARG A 119 6.737 -12.921 -5.454 1.00 0.00 C ATOM 1832 O ARG A 119 7.478 -13.425 -4.608 1.00 0.00 O ATOM 1833 CB ARG A 119 4.958 -14.211 -6.648 1.00 0.00 C ATOM 1834 CG ARG A 119 5.285 -13.630 -8.013 1.00 0.00 C ATOM 1835 CD ARG A 119 4.942 -14.604 -9.130 1.00 0.00 C ATOM 1836 NE ARG A 119 4.746 -13.925 -10.408 1.00 0.00 N ATOM 1837 CZ ARG A 119 4.030 -14.430 -11.406 1.00 0.00 C ATOM 1838 NH1 ARG A 119 3.444 -15.612 -11.274 1.00 0.00 N ATOM 1839 NH2 ARG A 119 3.898 -13.752 -12.539 1.00 0.00 N ATOM 0 H ARG A 119 3.851 -12.019 -6.445 1.00 0.00 H new ATOM 0 HA ARG A 119 4.980 -13.740 -4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.532 -15.127 -6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 119 3.904 -14.488 -6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.733 -12.701 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.345 -13.381 -8.059 1.00 0.00 H new ATOM 0 HD2 ARG A 119 5.741 -15.338 -9.229 1.00 0.00 H new ATOM 0 HD3 ARG A 119 4.037 -15.152 -8.868 1.00 0.00 H new ATOM 0 HE ARG A 119 5.183 -13.013 -10.541 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.543 -16.136 -10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.895 -15.997 -12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 119 4.347 -12.842 -12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 119 3.348 -14.141 -13.305 1.00 0.00 H new ATOM 1853 N HIS A 120 7.170 -12.069 -6.378 1.00 0.00 N ATOM 1854 CA HIS A 120 8.570 -11.667 -6.452 1.00 0.00 C ATOM 1855 C HIS A 120 9.133 -11.399 -5.060 1.00 0.00 C ATOM 1856 O HIS A 120 10.222 -11.863 -4.721 1.00 0.00 O ATOM 1857 CB HIS A 120 8.719 -10.420 -7.324 1.00 0.00 C ATOM 1858 CG HIS A 120 10.092 -9.823 -7.286 1.00 0.00 C ATOM 1859 ND1 HIS A 120 10.815 -9.526 -8.422 1.00 0.00 N ATOM 1860 CD2 HIS A 120 10.874 -9.466 -6.240 1.00 0.00 C ATOM 1861 CE1 HIS A 120 11.983 -9.014 -8.076 1.00 0.00 C ATOM 1862 NE2 HIS A 120 12.043 -8.966 -6.758 1.00 0.00 N ATOM 0 H HIS A 120 6.571 -11.644 -7.086 1.00 0.00 H new ATOM 0 HA HIS A 120 9.134 -12.485 -6.901 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.471 -10.675 -8.354 1.00 0.00 H new ATOM 0 HB3 HIS A 120 7.997 -9.671 -6.999 1.00 0.00 H new ATOM 0 HD2 HIS A 120 10.625 -9.558 -5.193 1.00 0.00 H new ATOM 0 HE1 HIS A 120 12.757 -8.690 -8.756 1.00 0.00 H new ATOM 0 HE2 HIS A 120 12.830 -8.614 -6.213 1.00 0.00 H new ATOM 1871 N ILE A 121 8.384 -10.649 -4.259 1.00 0.00 N ATOM 1872 CA ILE A 121 8.809 -10.320 -2.904 1.00 0.00 C ATOM 1873 C ILE A 121 8.894 -11.571 -2.035 1.00 0.00 C ATOM 1874 O ILE A 121 9.973 -11.954 -1.583 1.00 0.00 O ATOM 1875 CB ILE A 121 7.850 -9.313 -2.242 1.00 0.00 C ATOM 1876 CG1 ILE A 121 7.868 -7.984 -3.000 1.00 0.00 C ATOM 1877 CG2 ILE A 121 8.229 -9.101 -0.783 1.00 0.00 C ATOM 1878 CD1 ILE A 121 6.700 -7.082 -2.667 1.00 0.00 C ATOM 0 H ILE A 121 7.480 -10.258 -4.525 1.00 0.00 H new ATOM 0 HA ILE A 121 9.798 -9.869 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 121 6.839 -9.718 -2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 121 8.797 -7.460 -2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.867 -8.186 -4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 121 7.542 -8.387 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.170 -10.050 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 121 9.246 -8.714 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.778 -6.159 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 121 5.767 -7.587 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.712 -6.850 -1.602 1.00 0.00 H new ATOM 1890 N LEU A 122 7.748 -12.204 -1.807 1.00 0.00 N ATOM 1891 CA LEU A 122 7.692 -13.414 -0.994 1.00 0.00 C ATOM 1892 C LEU A 122 8.806 -14.382 -1.380 1.00 0.00 C ATOM 1893 O LEU A 122 9.353 -15.085 -0.530 1.00 0.00 O ATOM 1894 CB LEU A 122 6.332 -14.095 -1.152 1.00 0.00 C ATOM 1895 CG LEU A 122 5.198 -13.537 -0.291 1.00 0.00 C ATOM 1896 CD1 LEU A 122 5.510 -13.719 1.186 1.00 0.00 C ATOM 1897 CD2 LEU A 122 4.958 -12.069 -0.611 1.00 0.00 C ATOM 0 H LEU A 122 6.846 -11.900 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 122 7.830 -13.128 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 122 6.034 -14.028 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.449 -15.154 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 122 4.288 -14.091 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.692 -13.316 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 122 5.630 -14.780 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.432 -13.191 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 122 4.148 -11.689 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.866 -11.500 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 122 4.688 -11.965 -1.662 1.00 0.00 H new