USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 687 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 83 HIS : no HE2:sc= 0.451 K(o=0.18,f=-4.2) USER MOD Set 1.2: A 98 ASN : amide:sc= -1.3! C(o=0.18!,f=-3!) USER MOD Set 1.3: A 100 THR OG1 : rot -39:sc= 1.03 USER MOD Set 2.1: A 62 TYR OH : rot 137:sc= -0.982 USER MOD Set 2.2: A 79 HIS : no HD1:sc= -0.12 K(o=-1.1,f=-2.4!) USER MOD Single : A 8 THR OG1 : rot -39:sc= 0.0986 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 32 SER OG : rot -20:sc= 0.322 USER MOD Single : A 33 TYR OH : rot -140:sc= 1.1 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= 1.22 K(o=1.2,f=-3.9!) USER MOD Single : A 44 THR OG1 : rot -116:sc= -0.0439 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0744 USER MOD Single : A 51 LYS NZ :NH3+ -131:sc= 1.15 (180deg=-0.172) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.518! X(o=-0.52!,f=-0.19) USER MOD Single : A 59 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.59) USER MOD Single : A 64 SER OG : rot 75:sc= 1.24 USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= -1.48 (180deg=-1.65) USER MOD Single : A 68 SER OG : rot -36:sc= 0.0309 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 77 TYR OH : rot -58:sc= 0.425 USER MOD Single : A 86 MET CE :methyl 146:sc= -0.101 (180deg=-1.25) USER MOD Single : A 87 SER OG : rot 46:sc= 0.913 USER MOD Single : A 88 GLN : amide:sc= -0.159 K(o=-0.16,f=-3.2!) USER MOD Single : A 92 SER OG : rot 84:sc= 1.29 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= -0.0207 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 8 1.363 12.299 -3.488 1.00 0.00 N ATOM 121 CA THR A 8 2.086 11.084 -3.149 1.00 0.00 C ATOM 122 C THR A 8 1.212 10.189 -2.281 1.00 0.00 C ATOM 123 O THR A 8 0.201 10.641 -1.734 1.00 0.00 O ATOM 124 CB THR A 8 3.402 11.384 -2.407 1.00 0.00 C ATOM 125 OG1 THR A 8 3.141 12.206 -1.263 1.00 0.00 O ATOM 126 CG2 THR A 8 4.394 12.082 -3.320 1.00 0.00 C ATOM 0 HA THR A 8 2.333 10.579 -4.083 1.00 0.00 H new ATOM 0 HB THR A 8 3.835 10.437 -2.086 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.458 12.872 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.314 12.282 -2.772 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.613 11.443 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.968 13.022 -3.669 1.00 0.00 H new ATOM 134 N VAL A 9 1.597 8.928 -2.151 1.00 0.00 N ATOM 135 CA VAL A 9 0.893 8.007 -1.269 1.00 0.00 C ATOM 136 C VAL A 9 1.099 8.413 0.186 1.00 0.00 C ATOM 137 O VAL A 9 0.149 8.480 0.968 1.00 0.00 O ATOM 138 CB VAL A 9 1.373 6.547 -1.461 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.703 5.613 -0.463 1.00 0.00 C ATOM 140 CG2 VAL A 9 1.108 6.073 -2.879 1.00 0.00 C ATOM 0 H VAL A 9 2.391 8.519 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.165 8.057 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 9 2.448 6.527 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.059 4.595 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.947 5.929 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.377 5.645 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.454 5.045 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.039 6.120 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.641 6.713 -3.582 1.00 0.00 H new ATOM 150 N GLU A 10 2.342 8.718 0.531 1.00 0.00 N ATOM 151 CA GLU A 10 2.704 9.008 1.913 1.00 0.00 C ATOM 152 C GLU A 10 1.998 10.257 2.440 1.00 0.00 C ATOM 153 O GLU A 10 1.596 10.298 3.602 1.00 0.00 O ATOM 154 CB GLU A 10 4.220 9.168 2.055 1.00 0.00 C ATOM 155 CG GLU A 10 4.816 10.232 1.152 1.00 0.00 C ATOM 156 CD GLU A 10 6.220 10.618 1.565 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.362 11.492 2.444 1.00 0.00 O ATOM 158 OE2 GLU A 10 7.188 10.056 1.015 1.00 0.00 O ATOM 0 H GLU A 10 3.119 8.771 -0.128 1.00 0.00 H new ATOM 0 HA GLU A 10 2.375 8.159 2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.454 9.413 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.698 8.213 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.830 9.867 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.179 11.117 1.168 1.00 0.00 H new ATOM 165 N GLN A 11 1.839 11.269 1.593 1.00 0.00 N ATOM 166 CA GLN A 11 1.241 12.525 2.031 1.00 0.00 C ATOM 167 C GLN A 11 -0.257 12.373 2.259 1.00 0.00 C ATOM 168 O GLN A 11 -0.795 12.893 3.242 1.00 0.00 O ATOM 169 CB GLN A 11 1.512 13.647 1.027 1.00 0.00 C ATOM 170 CG GLN A 11 0.977 14.996 1.478 1.00 0.00 C ATOM 171 CD GLN A 11 1.321 16.123 0.524 1.00 0.00 C ATOM 172 OE1 GLN A 11 1.472 15.917 -0.677 1.00 0.00 O ATOM 173 NE2 GLN A 11 1.445 17.328 1.058 1.00 0.00 N ATOM 0 H GLN A 11 2.112 11.245 0.611 1.00 0.00 H new ATOM 0 HA GLN A 11 1.707 12.792 2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.586 13.726 0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.061 13.386 0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.106 14.934 1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.379 15.228 2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.312 17.458 2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.674 18.127 0.467 1.00 0.00 H new ATOM 182 N TRP A 12 -0.934 11.659 1.367 1.00 0.00 N ATOM 183 CA TRP A 12 -2.364 11.458 1.521 1.00 0.00 C ATOM 184 C TRP A 12 -2.641 10.610 2.752 1.00 0.00 C ATOM 185 O TRP A 12 -3.491 10.956 3.564 1.00 0.00 O ATOM 186 CB TRP A 12 -2.982 10.804 0.283 1.00 0.00 C ATOM 187 CG TRP A 12 -4.480 10.750 0.348 1.00 0.00 C ATOM 188 CD1 TRP A 12 -5.344 11.777 0.099 1.00 0.00 C ATOM 189 CD2 TRP A 12 -5.291 9.621 0.696 1.00 0.00 C ATOM 190 NE1 TRP A 12 -6.640 11.359 0.270 1.00 0.00 N ATOM 191 CE2 TRP A 12 -6.635 10.040 0.637 1.00 0.00 C ATOM 192 CE3 TRP A 12 -5.018 8.298 1.052 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -7.697 9.187 0.917 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -6.074 7.451 1.331 1.00 0.00 C ATOM 195 CH2 TRP A 12 -7.398 7.899 1.262 1.00 0.00 C ATOM 0 H TRP A 12 -0.522 11.218 0.545 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.825 12.438 1.643 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.680 11.358 -0.606 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.590 9.793 0.176 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.050 12.775 -0.191 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.471 11.937 0.144 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.999 7.943 1.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -8.720 9.530 0.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.874 6.426 1.607 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -8.201 7.212 1.486 1.00 0.00 H new ATOM 206 N LEU A 13 -1.898 9.515 2.898 1.00 0.00 N ATOM 207 CA LEU A 13 -2.056 8.631 4.050 1.00 0.00 C ATOM 208 C LEU A 13 -1.729 9.364 5.348 1.00 0.00 C ATOM 209 O LEU A 13 -2.296 9.065 6.398 1.00 0.00 O ATOM 210 CB LEU A 13 -1.175 7.382 3.915 1.00 0.00 C ATOM 211 CG LEU A 13 -1.814 6.188 3.189 1.00 0.00 C ATOM 212 CD1 LEU A 13 -3.069 5.731 3.910 1.00 0.00 C ATOM 213 CD2 LEU A 13 -2.133 6.529 1.744 1.00 0.00 C ATOM 0 H LEU A 13 -1.182 9.219 2.234 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.099 8.315 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.263 7.659 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.879 7.060 4.913 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.091 5.372 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.506 4.885 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.816 5.430 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.788 6.549 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.584 5.664 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.829 7.367 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.215 6.801 1.223 1.00 0.00 H new ATOM 225 N ASN A 14 -0.819 10.330 5.267 1.00 0.00 N ATOM 226 CA ASN A 14 -0.469 11.154 6.422 1.00 0.00 C ATOM 227 C ASN A 14 -1.686 11.935 6.906 1.00 0.00 C ATOM 228 O ASN A 14 -2.057 11.879 8.079 1.00 0.00 O ATOM 229 CB ASN A 14 0.655 12.130 6.068 1.00 0.00 C ATOM 230 CG ASN A 14 1.122 12.940 7.262 1.00 0.00 C ATOM 231 OD1 ASN A 14 0.570 13.998 7.567 1.00 0.00 O ATOM 232 ND2 ASN A 14 2.158 12.457 7.930 1.00 0.00 N ATOM 0 H ASN A 14 -0.310 10.562 4.414 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.127 10.492 7.217 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.498 11.574 5.659 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.310 12.807 5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.529 12.966 8.732 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.585 11.576 7.642 1.00 0.00 H new ATOM 239 N ARG A 15 -2.314 12.655 5.989 1.00 0.00 N ATOM 240 CA ARG A 15 -3.502 13.436 6.311 1.00 0.00 C ATOM 241 C ARG A 15 -4.684 12.511 6.590 1.00 0.00 C ATOM 242 O ARG A 15 -5.582 12.840 7.372 1.00 0.00 O ATOM 243 CB ARG A 15 -3.818 14.398 5.166 1.00 0.00 C ATOM 244 CG ARG A 15 -2.753 15.468 4.978 1.00 0.00 C ATOM 245 CD ARG A 15 -3.040 16.353 3.779 1.00 0.00 C ATOM 246 NE ARG A 15 -4.368 16.964 3.846 1.00 0.00 N ATOM 247 CZ ARG A 15 -4.635 18.226 3.513 1.00 0.00 C ATOM 248 NH1 ARG A 15 -3.663 19.049 3.131 1.00 0.00 N ATOM 249 NH2 ARG A 15 -5.888 18.663 3.573 1.00 0.00 N ATOM 0 H ARG A 15 -2.021 12.716 5.014 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.312 14.021 7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.923 13.831 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.778 14.878 5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.694 16.083 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.780 14.993 4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.284 17.136 3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.960 15.762 2.866 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.142 16.384 4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.700 18.716 3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.881 20.013 2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.634 18.034 3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.104 19.627 3.320 1.00 0.00 H new ATOM 263 N TRP A 16 -4.659 11.351 5.947 1.00 0.00 N ATOM 264 CA TRP A 16 -5.645 10.305 6.172 1.00 0.00 C ATOM 265 C TRP A 16 -5.666 9.903 7.643 1.00 0.00 C ATOM 266 O TRP A 16 -6.690 10.029 8.309 1.00 0.00 O ATOM 267 CB TRP A 16 -5.320 9.090 5.290 1.00 0.00 C ATOM 268 CG TRP A 16 -6.236 7.919 5.475 1.00 0.00 C ATOM 269 CD1 TRP A 16 -7.463 7.745 4.907 1.00 0.00 C ATOM 270 CD2 TRP A 16 -5.990 6.749 6.267 1.00 0.00 C ATOM 271 NE1 TRP A 16 -8.000 6.547 5.307 1.00 0.00 N ATOM 272 CE2 TRP A 16 -7.115 5.915 6.140 1.00 0.00 C ATOM 273 CE3 TRP A 16 -4.927 6.328 7.073 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -7.208 4.685 6.789 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -5.020 5.109 7.715 1.00 0.00 C ATOM 276 CH2 TRP A 16 -6.153 4.298 7.570 1.00 0.00 C ATOM 0 H TRP A 16 -3.952 11.109 5.253 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.632 10.683 5.906 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.353 9.398 4.245 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.298 8.771 5.497 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.942 8.447 4.240 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.912 6.185 5.029 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.049 6.946 7.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -8.082 4.060 6.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -4.205 4.775 8.340 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.195 3.349 8.084 1.00 0.00 H new ATOM 541 N SER A 32 0.956 -1.187 14.431 1.00 0.00 N ATOM 542 CA SER A 32 1.272 -2.287 13.529 1.00 0.00 C ATOM 543 C SER A 32 0.969 -1.915 12.081 1.00 0.00 C ATOM 544 O SER A 32 1.798 -2.115 11.191 1.00 0.00 O ATOM 545 CB SER A 32 0.476 -3.526 13.936 1.00 0.00 C ATOM 546 OG SER A 32 -0.874 -3.189 14.213 1.00 0.00 O ATOM 0 HA SER A 32 2.338 -2.501 13.602 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.514 -4.267 13.137 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.930 -3.982 14.816 1.00 0.00 H new ATOM 0 HG SER A 32 -0.939 -2.230 14.405 1.00 0.00 H new ATOM 552 N TYR A 33 -0.219 -1.358 11.863 1.00 0.00 N ATOM 553 CA TYR A 33 -0.636 -0.924 10.537 1.00 0.00 C ATOM 554 C TYR A 33 0.290 0.158 9.998 1.00 0.00 C ATOM 555 O TYR A 33 0.656 0.140 8.824 1.00 0.00 O ATOM 556 CB TYR A 33 -2.082 -0.421 10.569 1.00 0.00 C ATOM 557 CG TYR A 33 -3.110 -1.510 10.351 1.00 0.00 C ATOM 558 CD1 TYR A 33 -3.069 -2.699 11.073 1.00 0.00 C ATOM 559 CD2 TYR A 33 -4.117 -1.352 9.409 1.00 0.00 C ATOM 560 CE1 TYR A 33 -4.001 -3.697 10.858 1.00 0.00 C ATOM 561 CE2 TYR A 33 -5.050 -2.345 9.188 1.00 0.00 C ATOM 562 CZ TYR A 33 -4.989 -3.515 9.915 1.00 0.00 C ATOM 563 OH TYR A 33 -5.916 -4.507 9.689 1.00 0.00 O ATOM 0 H TYR A 33 -0.912 -1.197 12.594 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.578 -1.783 9.868 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.270 0.057 11.531 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.208 0.344 9.803 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.296 -2.844 11.813 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.172 -0.436 8.839 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.955 -4.614 11.426 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.825 -2.206 8.449 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.095 -4.575 8.728 1.00 0.00 H new ATOM 573 N GLU A 34 0.677 1.089 10.864 1.00 0.00 N ATOM 574 CA GLU A 34 1.592 2.155 10.478 1.00 0.00 C ATOM 575 C GLU A 34 2.938 1.581 10.064 1.00 0.00 C ATOM 576 O GLU A 34 3.424 1.855 8.965 1.00 0.00 O ATOM 577 CB GLU A 34 1.803 3.143 11.625 1.00 0.00 C ATOM 578 CG GLU A 34 0.569 3.943 12.000 1.00 0.00 C ATOM 579 CD GLU A 34 0.890 5.048 12.983 1.00 0.00 C ATOM 580 OE1 GLU A 34 1.545 6.033 12.575 1.00 0.00 O ATOM 581 OE2 GLU A 34 0.515 4.933 14.164 1.00 0.00 O ATOM 0 H GLU A 34 0.371 1.126 11.836 1.00 0.00 H new ATOM 0 HA GLU A 34 1.144 2.680 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.146 2.594 12.502 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.600 3.835 11.350 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.128 4.374 11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.177 3.277 12.433 1.00 0.00 H new ATOM 588 N THR A 35 3.519 0.774 10.943 1.00 0.00 N ATOM 589 CA THR A 35 4.845 0.215 10.732 1.00 0.00 C ATOM 590 C THR A 35 4.949 -0.532 9.404 1.00 0.00 C ATOM 591 O THR A 35 5.717 -0.136 8.529 1.00 0.00 O ATOM 592 CB THR A 35 5.232 -0.732 11.884 1.00 0.00 C ATOM 593 OG1 THR A 35 5.140 -0.037 13.131 1.00 0.00 O ATOM 594 CG2 THR A 35 6.646 -1.267 11.710 1.00 0.00 C ATOM 0 H THR A 35 3.084 0.490 11.821 1.00 0.00 H new ATOM 0 HA THR A 35 5.538 1.056 10.705 1.00 0.00 H new ATOM 0 HB THR A 35 4.541 -1.575 11.873 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.385 -0.642 13.862 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.888 -1.932 12.539 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.714 -1.818 10.772 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.350 -0.435 11.694 1.00 0.00 H new ATOM 602 N VAL A 36 4.161 -1.593 9.237 1.00 0.00 N ATOM 603 CA VAL A 36 4.275 -2.440 8.052 1.00 0.00 C ATOM 604 C VAL A 36 4.017 -1.652 6.768 1.00 0.00 C ATOM 605 O VAL A 36 4.730 -1.823 5.769 1.00 0.00 O ATOM 606 CB VAL A 36 3.328 -3.664 8.112 1.00 0.00 C ATOM 607 CG1 VAL A 36 3.677 -4.547 9.298 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.866 -3.240 8.176 1.00 0.00 C ATOM 0 H VAL A 36 3.443 -1.884 9.901 1.00 0.00 H new ATOM 0 HA VAL A 36 5.302 -2.805 8.040 1.00 0.00 H new ATOM 0 HB VAL A 36 3.467 -4.235 7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.002 -5.403 9.326 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.704 -4.898 9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.575 -3.975 10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.232 -4.126 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.702 -2.634 9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.617 -2.656 7.290 1.00 0.00 H new ATOM 618 N LEU A 37 3.028 -0.769 6.811 1.00 0.00 N ATOM 619 CA LEU A 37 2.633 -0.007 5.639 1.00 0.00 C ATOM 620 C LEU A 37 3.721 0.985 5.253 1.00 0.00 C ATOM 621 O LEU A 37 4.307 0.884 4.172 1.00 0.00 O ATOM 622 CB LEU A 37 1.317 0.730 5.902 1.00 0.00 C ATOM 623 CG LEU A 37 0.659 1.358 4.673 1.00 0.00 C ATOM 624 CD1 LEU A 37 0.213 0.279 3.697 1.00 0.00 C ATOM 625 CD2 LEU A 37 -0.518 2.225 5.092 1.00 0.00 C ATOM 0 H LEU A 37 2.484 -0.564 7.649 1.00 0.00 H new ATOM 0 HA LEU A 37 2.488 -0.702 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.613 0.031 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.500 1.515 6.636 1.00 0.00 H new ATOM 0 HG LEU A 37 1.391 1.990 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.253 0.744 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.078 -0.302 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.506 -0.379 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.978 2.666 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.252 1.613 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.169 3.018 5.753 1.00 0.00 H new ATOM 637 N ARG A 38 4.027 1.913 6.160 1.00 0.00 N ATOM 638 CA ARG A 38 4.957 2.992 5.853 1.00 0.00 C ATOM 639 C ARG A 38 6.340 2.436 5.521 1.00 0.00 C ATOM 640 O ARG A 38 7.015 2.934 4.622 1.00 0.00 O ATOM 641 CB ARG A 38 5.050 4.003 7.012 1.00 0.00 C ATOM 642 CG ARG A 38 5.896 3.543 8.189 1.00 0.00 C ATOM 643 CD ARG A 38 6.219 4.686 9.139 1.00 0.00 C ATOM 644 NE ARG A 38 5.133 4.982 10.076 1.00 0.00 N ATOM 645 CZ ARG A 38 5.309 5.073 11.397 1.00 0.00 C ATOM 646 NH1 ARG A 38 6.516 4.881 11.919 1.00 0.00 N ATOM 647 NH2 ARG A 38 4.289 5.365 12.196 1.00 0.00 N ATOM 0 H ARG A 38 3.646 1.937 7.106 1.00 0.00 H new ATOM 0 HA ARG A 38 4.573 3.518 4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.461 4.937 6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.043 4.220 7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.367 2.759 8.731 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.823 3.105 7.820 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.119 4.438 9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.443 5.581 8.558 1.00 0.00 H new ATOM 0 HE ARG A 38 4.195 5.126 9.701 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.306 4.665 11.311 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.652 4.950 12.927 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.361 5.522 11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.433 5.432 13.203 1.00 0.00 H new ATOM 661 N LEU A 39 6.731 1.376 6.221 1.00 0.00 N ATOM 662 CA LEU A 39 8.055 0.789 6.065 1.00 0.00 C ATOM 663 C LEU A 39 8.249 0.199 4.673 1.00 0.00 C ATOM 664 O LEU A 39 9.290 0.396 4.051 1.00 0.00 O ATOM 665 CB LEU A 39 8.270 -0.301 7.119 1.00 0.00 C ATOM 666 CG LEU A 39 9.627 -1.006 7.089 1.00 0.00 C ATOM 667 CD1 LEU A 39 10.731 -0.062 7.537 1.00 0.00 C ATOM 668 CD2 LEU A 39 9.596 -2.248 7.965 1.00 0.00 C ATOM 0 H LEU A 39 6.143 0.903 6.907 1.00 0.00 H new ATOM 0 HA LEU A 39 8.788 1.584 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.136 0.144 8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.490 -1.053 7.000 1.00 0.00 H new ATOM 0 HG LEU A 39 9.836 -1.311 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.688 -0.582 7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.766 0.799 6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.531 0.275 8.554 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.568 -2.740 7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.366 -1.963 8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.831 -2.933 7.598 1.00 0.00 H new ATOM 680 N HIS A 40 7.252 -0.520 4.180 1.00 0.00 N ATOM 681 CA HIS A 40 7.428 -1.275 2.946 1.00 0.00 C ATOM 682 C HIS A 40 7.031 -0.486 1.701 1.00 0.00 C ATOM 683 O HIS A 40 7.745 -0.515 0.699 1.00 0.00 O ATOM 684 CB HIS A 40 6.653 -2.592 3.003 1.00 0.00 C ATOM 685 CG HIS A 40 7.183 -3.553 4.021 1.00 0.00 C ATOM 686 ND1 HIS A 40 6.602 -3.728 5.255 1.00 0.00 N ATOM 687 CD2 HIS A 40 8.238 -4.399 3.982 1.00 0.00 C ATOM 688 CE1 HIS A 40 7.273 -4.639 5.933 1.00 0.00 C ATOM 689 NE2 HIS A 40 8.273 -5.064 5.184 1.00 0.00 N ATOM 0 H HIS A 40 6.328 -0.597 4.605 1.00 0.00 H new ATOM 0 HA HIS A 40 8.495 -1.484 2.864 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.607 -2.380 3.225 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.681 -3.064 2.021 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.779 -3.230 5.594 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.925 -4.528 3.159 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.043 -4.979 6.932 1.00 0.00 H new ATOM 698 N VAL A 41 5.912 0.225 1.748 1.00 0.00 N ATOM 699 CA VAL A 41 5.368 0.810 0.528 1.00 0.00 C ATOM 700 C VAL A 41 5.729 2.290 0.357 1.00 0.00 C ATOM 701 O VAL A 41 5.837 2.764 -0.770 1.00 0.00 O ATOM 702 CB VAL A 41 3.836 0.618 0.431 1.00 0.00 C ATOM 703 CG1 VAL A 41 3.093 1.489 1.431 1.00 0.00 C ATOM 704 CG2 VAL A 41 3.345 0.885 -0.985 1.00 0.00 C ATOM 0 H VAL A 41 5.374 0.408 2.595 1.00 0.00 H new ATOM 0 HA VAL A 41 5.840 0.266 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 41 3.623 -0.421 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.020 1.324 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.406 1.230 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.319 2.538 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.265 0.744 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.589 1.909 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.829 0.194 -1.674 1.00 0.00 H new ATOM 714 N ILE A 42 5.950 3.020 1.446 1.00 0.00 N ATOM 715 CA ILE A 42 6.206 4.456 1.329 1.00 0.00 C ATOM 716 C ILE A 42 7.530 4.765 0.603 1.00 0.00 C ATOM 717 O ILE A 42 7.540 5.581 -0.318 1.00 0.00 O ATOM 718 CB ILE A 42 6.149 5.183 2.694 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.694 5.276 3.162 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.777 6.571 2.604 1.00 0.00 C ATOM 721 CD1 ILE A 42 4.496 6.135 4.394 1.00 0.00 C ATOM 0 H ILE A 42 5.958 2.655 2.398 1.00 0.00 H new ATOM 0 HA ILE A 42 5.395 4.846 0.714 1.00 0.00 H new ATOM 0 HB ILE A 42 6.724 4.610 3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.087 5.678 2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.325 4.272 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.723 7.059 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.820 6.479 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.237 7.168 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.439 6.150 4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.074 5.723 5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.832 7.151 4.187 1.00 0.00 H new ATOM 733 N PRO A 43 8.663 4.133 0.975 1.00 0.00 N ATOM 734 CA PRO A 43 9.941 4.382 0.296 1.00 0.00 C ATOM 735 C PRO A 43 9.993 3.779 -1.112 1.00 0.00 C ATOM 736 O PRO A 43 10.863 4.122 -1.912 1.00 0.00 O ATOM 737 CB PRO A 43 10.965 3.701 1.205 1.00 0.00 C ATOM 738 CG PRO A 43 10.203 2.628 1.895 1.00 0.00 C ATOM 739 CD PRO A 43 8.812 3.166 2.081 1.00 0.00 C ATOM 0 HA PRO A 43 10.117 5.448 0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.794 3.290 0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.391 4.406 1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.192 1.713 1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.658 2.381 2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.065 2.374 2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.695 3.647 3.052 1.00 0.00 H new ATOM 747 N THR A 44 9.057 2.887 -1.415 1.00 0.00 N ATOM 748 CA THR A 44 9.044 2.204 -2.702 1.00 0.00 C ATOM 749 C THR A 44 8.080 2.869 -3.680 1.00 0.00 C ATOM 750 O THR A 44 8.495 3.413 -4.705 1.00 0.00 O ATOM 751 CB THR A 44 8.660 0.719 -2.542 1.00 0.00 C ATOM 752 OG1 THR A 44 7.457 0.601 -1.772 1.00 0.00 O ATOM 753 CG2 THR A 44 9.769 -0.059 -1.863 1.00 0.00 C ATOM 0 H THR A 44 8.298 2.620 -0.787 1.00 0.00 H new ATOM 0 HA THR A 44 10.055 2.272 -3.103 1.00 0.00 H new ATOM 0 HB THR A 44 8.500 0.304 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.650 0.133 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.472 -1.103 -1.763 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.677 0.004 -2.462 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.956 0.362 -0.875 1.00 0.00 H new ATOM 761 N LEU A 45 6.799 2.829 -3.349 1.00 0.00 N ATOM 762 CA LEU A 45 5.763 3.330 -4.238 1.00 0.00 C ATOM 763 C LEU A 45 5.051 4.534 -3.625 1.00 0.00 C ATOM 764 O LEU A 45 4.176 5.131 -4.247 1.00 0.00 O ATOM 765 CB LEU A 45 4.748 2.219 -4.529 1.00 0.00 C ATOM 766 CG LEU A 45 5.351 0.908 -5.046 1.00 0.00 C ATOM 767 CD1 LEU A 45 4.273 -0.152 -5.191 1.00 0.00 C ATOM 768 CD2 LEU A 45 6.065 1.127 -6.373 1.00 0.00 C ATOM 0 H LEU A 45 6.451 2.453 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 45 6.233 3.648 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.190 2.009 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.031 2.586 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 45 6.084 0.560 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.719 -1.076 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.809 -0.334 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.517 0.192 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.485 0.183 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.355 1.502 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.867 1.853 -6.239 1.00 0.00 H new ATOM 780 N GLY A 46 5.436 4.888 -2.404 1.00 0.00 N ATOM 781 CA GLY A 46 4.797 5.987 -1.700 1.00 0.00 C ATOM 782 C GLY A 46 5.130 7.333 -2.302 1.00 0.00 C ATOM 783 O GLY A 46 4.417 8.313 -2.080 1.00 0.00 O ATOM 0 H GLY A 46 6.185 4.430 -1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.717 5.844 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.107 5.974 -0.655 1.00 0.00 H new ATOM 787 N SER A 47 6.217 7.377 -3.057 1.00 0.00 N ATOM 788 CA SER A 47 6.624 8.581 -3.762 1.00 0.00 C ATOM 789 C SER A 47 5.809 8.760 -5.041 1.00 0.00 C ATOM 790 O SER A 47 5.893 9.789 -5.715 1.00 0.00 O ATOM 791 CB SER A 47 8.112 8.487 -4.083 1.00 0.00 C ATOM 792 OG SER A 47 8.451 7.167 -4.485 1.00 0.00 O ATOM 0 H SER A 47 6.840 6.581 -3.198 1.00 0.00 H new ATOM 0 HA SER A 47 6.442 9.450 -3.129 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.364 9.191 -4.876 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.698 8.769 -3.208 1.00 0.00 H new ATOM 0 HG SER A 47 9.408 7.123 -4.689 1.00 0.00 H new ATOM 798 N ILE A 48 5.016 7.748 -5.357 1.00 0.00 N ATOM 799 CA ILE A 48 4.175 7.759 -6.540 1.00 0.00 C ATOM 800 C ILE A 48 2.752 8.153 -6.159 1.00 0.00 C ATOM 801 O ILE A 48 2.221 7.662 -5.167 1.00 0.00 O ATOM 802 CB ILE A 48 4.161 6.367 -7.212 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.591 5.911 -7.525 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.317 6.387 -8.479 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.672 4.501 -8.069 1.00 0.00 C ATOM 0 H ILE A 48 4.939 6.897 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 48 4.581 8.485 -7.244 1.00 0.00 H new ATOM 0 HB ILE A 48 3.714 5.656 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.032 6.597 -8.249 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.191 5.976 -6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.322 5.397 -8.935 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.293 6.667 -8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.731 7.111 -9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.713 4.247 -8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.261 3.805 -7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.100 4.435 -8.994 1.00 0.00 H new ATOM 817 N PRO A 49 2.134 9.080 -6.906 1.00 0.00 N ATOM 818 CA PRO A 49 0.728 9.446 -6.709 1.00 0.00 C ATOM 819 C PRO A 49 -0.196 8.230 -6.763 1.00 0.00 C ATOM 820 O PRO A 49 0.033 7.298 -7.535 1.00 0.00 O ATOM 821 CB PRO A 49 0.422 10.405 -7.872 1.00 0.00 C ATOM 822 CG PRO A 49 1.582 10.297 -8.802 1.00 0.00 C ATOM 823 CD PRO A 49 2.757 9.869 -7.974 1.00 0.00 C ATOM 0 HA PRO A 49 0.563 9.893 -5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.507 10.130 -8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.301 11.428 -7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.380 9.573 -9.591 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.779 11.252 -9.289 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.465 9.277 -8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.305 10.724 -7.578 1.00 0.00 H new ATOM 831 N LEU A 50 -1.247 8.256 -5.946 1.00 0.00 N ATOM 832 CA LEU A 50 -2.195 7.145 -5.860 1.00 0.00 C ATOM 833 C LEU A 50 -2.796 6.815 -7.220 1.00 0.00 C ATOM 834 O LEU A 50 -2.957 5.649 -7.568 1.00 0.00 O ATOM 835 CB LEU A 50 -3.314 7.482 -4.872 1.00 0.00 C ATOM 836 CG LEU A 50 -2.897 7.530 -3.401 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.014 8.109 -2.545 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.535 6.138 -2.912 1.00 0.00 C ATOM 0 H LEU A 50 -1.465 9.039 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.647 6.270 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.737 8.449 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.108 6.744 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.023 8.175 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.697 8.134 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.242 9.121 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.904 7.487 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.240 6.186 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.398 5.480 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.707 5.748 -3.504 1.00 0.00 H new ATOM 850 N LYS A 51 -3.114 7.847 -7.990 1.00 0.00 N ATOM 851 CA LYS A 51 -3.736 7.662 -9.298 1.00 0.00 C ATOM 852 C LYS A 51 -2.733 7.101 -10.311 1.00 0.00 C ATOM 853 O LYS A 51 -3.113 6.506 -11.320 1.00 0.00 O ATOM 854 CB LYS A 51 -4.304 8.993 -9.798 1.00 0.00 C ATOM 855 CG LYS A 51 -5.153 8.866 -11.052 1.00 0.00 C ATOM 856 CD LYS A 51 -5.604 10.225 -11.570 1.00 0.00 C ATOM 857 CE LYS A 51 -6.512 10.945 -10.581 1.00 0.00 C ATOM 858 NZ LYS A 51 -7.766 10.190 -10.312 1.00 0.00 N ATOM 0 H LYS A 51 -2.952 8.821 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.547 6.942 -9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.906 9.440 -9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.479 9.677 -9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.583 8.353 -11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.027 8.250 -10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.729 10.843 -11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.130 10.095 -12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.976 11.099 -9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.761 11.931 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.582 10.828 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.855 9.411 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.738 9.803 -9.347 1.00 0.00 H new ATOM 872 N LYS A 52 -1.451 7.286 -10.028 1.00 0.00 N ATOM 873 CA LYS A 52 -0.391 6.840 -10.925 1.00 0.00 C ATOM 874 C LYS A 52 0.039 5.422 -10.569 1.00 0.00 C ATOM 875 O LYS A 52 0.668 4.730 -11.370 1.00 0.00 O ATOM 876 CB LYS A 52 0.802 7.794 -10.829 1.00 0.00 C ATOM 877 CG LYS A 52 1.914 7.524 -11.833 1.00 0.00 C ATOM 878 CD LYS A 52 3.114 8.423 -11.576 1.00 0.00 C ATOM 879 CE LYS A 52 4.189 8.243 -12.633 1.00 0.00 C ATOM 880 NZ LYS A 52 5.394 9.066 -12.348 1.00 0.00 N ATOM 0 H LYS A 52 -1.117 7.744 -9.180 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.767 6.842 -11.948 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.446 8.815 -10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.217 7.735 -9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.218 6.479 -11.771 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.543 7.688 -12.845 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.791 9.464 -11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.530 8.202 -10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.472 7.192 -12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.787 8.515 -13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.103 8.913 -13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.130 10.071 -12.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.794 8.790 -11.429 1.00 0.00 H new ATOM 894 N LEU A 53 -0.321 5.000 -9.362 1.00 0.00 N ATOM 895 CA LEU A 53 0.042 3.686 -8.859 1.00 0.00 C ATOM 896 C LEU A 53 -0.586 2.593 -9.721 1.00 0.00 C ATOM 897 O LEU A 53 -1.790 2.602 -9.992 1.00 0.00 O ATOM 898 CB LEU A 53 -0.390 3.565 -7.385 1.00 0.00 C ATOM 899 CG LEU A 53 0.096 2.325 -6.617 1.00 0.00 C ATOM 900 CD1 LEU A 53 -0.748 1.103 -6.943 1.00 0.00 C ATOM 901 CD2 LEU A 53 1.567 2.054 -6.910 1.00 0.00 C ATOM 0 H LEU A 53 -0.870 5.559 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 53 1.123 3.560 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.040 4.451 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.479 3.581 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.014 2.531 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.377 0.245 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.786 1.294 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.687 0.893 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.892 1.173 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.699 1.882 -7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.163 2.914 -6.605 1.00 0.00 H new ATOM 913 N GLN A 54 0.245 1.662 -10.160 1.00 0.00 N ATOM 914 CA GLN A 54 -0.194 0.583 -11.028 1.00 0.00 C ATOM 915 C GLN A 54 -0.169 -0.751 -10.292 1.00 0.00 C ATOM 916 O GLN A 54 0.662 -0.961 -9.409 1.00 0.00 O ATOM 917 CB GLN A 54 0.720 0.507 -12.252 1.00 0.00 C ATOM 918 CG GLN A 54 0.748 1.782 -13.076 1.00 0.00 C ATOM 919 CD GLN A 54 1.957 1.866 -13.989 1.00 0.00 C ATOM 920 OE1 GLN A 54 1.886 2.436 -15.079 1.00 0.00 O ATOM 921 NE2 GLN A 54 3.081 1.332 -13.541 1.00 0.00 N ATOM 0 H GLN A 54 1.237 1.633 -9.926 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.218 0.787 -11.341 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.733 0.276 -11.923 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.394 -0.317 -12.886 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.160 1.841 -13.676 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.744 2.642 -12.406 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.099 0.868 -12.633 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.930 1.384 -14.104 1.00 0.00 H new ATOM 930 N PRO A 55 -1.075 -1.676 -10.656 1.00 0.00 N ATOM 931 CA PRO A 55 -1.094 -3.031 -10.089 1.00 0.00 C ATOM 932 C PRO A 55 0.203 -3.782 -10.379 1.00 0.00 C ATOM 933 O PRO A 55 0.578 -4.704 -9.655 1.00 0.00 O ATOM 934 CB PRO A 55 -2.274 -3.706 -10.798 1.00 0.00 C ATOM 935 CG PRO A 55 -3.113 -2.585 -11.313 1.00 0.00 C ATOM 936 CD PRO A 55 -2.159 -1.474 -11.632 1.00 0.00 C ATOM 0 HA PRO A 55 -1.191 -3.021 -9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.931 -4.347 -11.610 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.838 -4.337 -10.111 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.670 -2.889 -12.199 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.845 -2.270 -10.569 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.795 -1.537 -12.658 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.627 -0.496 -11.519 1.00 0.00 H new ATOM 944 N ALA A 56 0.888 -3.366 -11.439 1.00 0.00 N ATOM 945 CA ALA A 56 2.165 -3.954 -11.816 1.00 0.00 C ATOM 946 C ALA A 56 3.231 -3.634 -10.773 1.00 0.00 C ATOM 947 O ALA A 56 4.101 -4.460 -10.485 1.00 0.00 O ATOM 948 CB ALA A 56 2.591 -3.451 -13.186 1.00 0.00 C ATOM 0 H ALA A 56 0.575 -2.617 -12.056 1.00 0.00 H new ATOM 0 HA ALA A 56 2.048 -5.037 -11.864 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.548 -3.898 -13.456 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.839 -3.728 -13.925 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.692 -2.366 -13.160 1.00 0.00 H new ATOM 954 N ASP A 57 3.144 -2.437 -10.201 1.00 0.00 N ATOM 955 CA ASP A 57 4.071 -2.015 -9.158 1.00 0.00 C ATOM 956 C ASP A 57 3.802 -2.788 -7.878 1.00 0.00 C ATOM 957 O ASP A 57 4.729 -3.174 -7.172 1.00 0.00 O ATOM 958 CB ASP A 57 3.953 -0.512 -8.893 1.00 0.00 C ATOM 959 CG ASP A 57 4.398 0.331 -10.071 1.00 0.00 C ATOM 960 OD1 ASP A 57 3.590 0.523 -11.003 1.00 0.00 O ATOM 961 OD2 ASP A 57 5.555 0.811 -10.066 1.00 0.00 O ATOM 0 H ASP A 57 2.439 -1.741 -10.443 1.00 0.00 H new ATOM 0 HA ASP A 57 5.085 -2.224 -9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.918 -0.271 -8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.553 -0.254 -8.021 1.00 0.00 H new ATOM 966 N ILE A 58 2.526 -3.020 -7.593 1.00 0.00 N ATOM 967 CA ILE A 58 2.131 -3.804 -6.427 1.00 0.00 C ATOM 968 C ILE A 58 2.563 -5.259 -6.595 1.00 0.00 C ATOM 969 O ILE A 58 3.025 -5.893 -5.645 1.00 0.00 O ATOM 970 CB ILE A 58 0.607 -3.733 -6.193 1.00 0.00 C ATOM 971 CG1 ILE A 58 0.189 -2.291 -5.903 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.191 -4.648 -5.050 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.288 -2.133 -5.621 1.00 0.00 C ATOM 0 H ILE A 58 1.746 -2.676 -8.153 1.00 0.00 H new ATOM 0 HA ILE A 58 2.630 -3.379 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 58 0.102 -4.072 -7.097 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.755 -1.923 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.456 -1.666 -6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.887 -4.581 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.461 -5.676 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.701 -4.343 -4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.511 -1.084 -5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.861 -2.470 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.558 -2.731 -4.750 1.00 0.00 H new ATOM 985 N GLN A 59 2.418 -5.774 -7.815 1.00 0.00 N ATOM 986 CA GLN A 59 2.911 -7.103 -8.158 1.00 0.00 C ATOM 987 C GLN A 59 4.405 -7.160 -7.855 1.00 0.00 C ATOM 988 O GLN A 59 4.881 -8.047 -7.146 1.00 0.00 O ATOM 989 CB GLN A 59 2.646 -7.375 -9.648 1.00 0.00 C ATOM 990 CG GLN A 59 2.608 -8.847 -10.051 1.00 0.00 C ATOM 991 CD GLN A 59 3.935 -9.565 -9.891 1.00 0.00 C ATOM 992 OE1 GLN A 59 4.196 -10.190 -8.866 1.00 0.00 O ATOM 993 NE2 GLN A 59 4.787 -9.468 -10.897 1.00 0.00 N ATOM 0 H GLN A 59 1.960 -5.286 -8.585 1.00 0.00 H new ATOM 0 HA GLN A 59 2.398 -7.866 -7.572 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.695 -6.917 -9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.418 -6.876 -10.233 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.855 -9.358 -9.451 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.290 -8.920 -11.091 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.533 -8.940 -11.732 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.699 -9.922 -10.839 1.00 0.00 H new ATOM 1002 N ARG A 60 5.132 -6.171 -8.373 1.00 0.00 N ATOM 1003 CA ARG A 60 6.562 -6.039 -8.114 1.00 0.00 C ATOM 1004 C ARG A 60 6.841 -6.010 -6.615 1.00 0.00 C ATOM 1005 O ARG A 60 7.730 -6.703 -6.133 1.00 0.00 O ATOM 1006 CB ARG A 60 7.101 -4.759 -8.750 1.00 0.00 C ATOM 1007 CG ARG A 60 8.558 -4.481 -8.425 1.00 0.00 C ATOM 1008 CD ARG A 60 8.955 -3.080 -8.851 1.00 0.00 C ATOM 1009 NE ARG A 60 10.307 -2.733 -8.423 1.00 0.00 N ATOM 1010 CZ ARG A 60 10.825 -1.506 -8.503 1.00 0.00 C ATOM 1011 NH1 ARG A 60 10.129 -0.512 -9.050 1.00 0.00 N ATOM 1012 NH2 ARG A 60 12.047 -1.283 -8.046 1.00 0.00 N ATOM 0 H ARG A 60 4.749 -5.445 -8.979 1.00 0.00 H new ATOM 0 HA ARG A 60 7.062 -6.902 -8.552 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.986 -4.825 -9.832 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.496 -3.916 -8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.724 -4.600 -7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.192 -5.211 -8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.888 -3.000 -9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.249 -2.362 -8.434 1.00 0.00 H new ATOM 0 HE ARG A 60 10.892 -3.475 -8.039 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.191 -0.685 -9.412 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.533 0.423 -9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.585 -2.046 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.450 -0.348 -8.103 1.00 0.00 H new ATOM 1026 N LEU A 61 6.077 -5.197 -5.895 1.00 0.00 N ATOM 1027 CA LEU A 61 6.235 -5.048 -4.452 1.00 0.00 C ATOM 1028 C LEU A 61 6.070 -6.399 -3.757 1.00 0.00 C ATOM 1029 O LEU A 61 6.816 -6.731 -2.836 1.00 0.00 O ATOM 1030 CB LEU A 61 5.211 -4.021 -3.927 1.00 0.00 C ATOM 1031 CG LEU A 61 5.474 -3.438 -2.527 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.068 -4.411 -1.431 1.00 0.00 C ATOM 1033 CD2 LEU A 61 6.940 -3.053 -2.375 1.00 0.00 C ATOM 0 H LEU A 61 5.333 -4.624 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 61 7.238 -4.683 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.163 -3.195 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.228 -4.493 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 61 4.861 -2.543 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.268 -3.966 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.004 -4.633 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.640 -5.333 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.107 -2.643 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.564 -3.936 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.199 -2.305 -3.124 1.00 0.00 H new ATOM 1045 N TYR A 62 5.107 -7.189 -4.218 1.00 0.00 N ATOM 1046 CA TYR A 62 4.872 -8.511 -3.648 1.00 0.00 C ATOM 1047 C TYR A 62 6.064 -9.427 -3.898 1.00 0.00 C ATOM 1048 O TYR A 62 6.540 -10.099 -2.979 1.00 0.00 O ATOM 1049 CB TYR A 62 3.592 -9.136 -4.214 1.00 0.00 C ATOM 1050 CG TYR A 62 2.320 -8.479 -3.717 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.361 -7.513 -2.718 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.081 -8.830 -4.237 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.210 -6.914 -2.254 1.00 0.00 C ATOM 1054 CE2 TYR A 62 -0.080 -8.234 -3.777 1.00 0.00 C ATOM 1055 CZ TYR A 62 -0.006 -7.276 -2.785 1.00 0.00 C ATOM 1056 OH TYR A 62 -1.151 -6.677 -2.317 1.00 0.00 O ATOM 0 H TYR A 62 4.479 -6.939 -4.982 1.00 0.00 H new ATOM 0 HA TYR A 62 4.746 -8.392 -2.572 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.620 -9.076 -5.302 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.569 -10.194 -3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.314 -7.226 -2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.023 -9.580 -5.012 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.262 -6.165 -1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.037 -8.516 -4.191 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.735 -6.453 -3.072 1.00 0.00 H new ATOM 1066 N ALA A 63 6.549 -9.435 -5.135 1.00 0.00 N ATOM 1067 CA ALA A 63 7.715 -10.231 -5.502 1.00 0.00 C ATOM 1068 C ALA A 63 8.950 -9.762 -4.742 1.00 0.00 C ATOM 1069 O ALA A 63 9.712 -10.565 -4.210 1.00 0.00 O ATOM 1070 CB ALA A 63 7.961 -10.144 -7.000 1.00 0.00 C ATOM 0 H ALA A 63 6.150 -8.896 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 63 7.518 -11.269 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.834 -10.742 -7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.089 -10.522 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.136 -9.105 -7.280 1.00 0.00 H new ATOM 1076 N SER A 64 9.117 -8.448 -4.675 1.00 0.00 N ATOM 1077 CA SER A 64 10.264 -7.830 -4.020 1.00 0.00 C ATOM 1078 C SER A 64 10.311 -8.168 -2.529 1.00 0.00 C ATOM 1079 O SER A 64 11.375 -8.140 -1.905 1.00 0.00 O ATOM 1080 CB SER A 64 10.197 -6.317 -4.222 1.00 0.00 C ATOM 1081 OG SER A 64 10.231 -5.994 -5.601 1.00 0.00 O ATOM 0 H SER A 64 8.460 -7.778 -5.074 1.00 0.00 H new ATOM 0 HA SER A 64 11.176 -8.224 -4.469 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.284 -5.925 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.033 -5.839 -3.711 1.00 0.00 H new ATOM 0 HG SER A 64 9.361 -6.193 -6.005 1.00 0.00 H new ATOM 1087 N LYS A 65 9.156 -8.487 -1.965 1.00 0.00 N ATOM 1088 CA LYS A 65 9.079 -8.914 -0.579 1.00 0.00 C ATOM 1089 C LYS A 65 9.563 -10.352 -0.433 1.00 0.00 C ATOM 1090 O LYS A 65 10.346 -10.666 0.464 1.00 0.00 O ATOM 1091 CB LYS A 65 7.649 -8.788 -0.061 1.00 0.00 C ATOM 1092 CG LYS A 65 7.188 -7.354 0.124 1.00 0.00 C ATOM 1093 CD LYS A 65 5.791 -7.292 0.719 1.00 0.00 C ATOM 1094 CE LYS A 65 4.776 -8.020 -0.146 1.00 0.00 C ATOM 1095 NZ LYS A 65 3.403 -7.955 0.426 1.00 0.00 N ATOM 0 H LYS A 65 8.258 -8.458 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 65 9.726 -8.267 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.975 -9.289 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.571 -9.311 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.886 -6.827 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.199 -6.840 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.801 -7.732 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.491 -6.250 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.773 -7.584 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.074 -9.063 -0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.730 -8.390 -0.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.379 -8.468 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.140 -6.961 0.584 1.00 0.00 H new ATOM 1109 N LEU A 66 9.108 -11.217 -1.332 1.00 0.00 N ATOM 1110 CA LEU A 66 9.498 -12.620 -1.308 1.00 0.00 C ATOM 1111 C LEU A 66 10.984 -12.752 -1.630 1.00 0.00 C ATOM 1112 O LEU A 66 11.673 -13.624 -1.100 1.00 0.00 O ATOM 1113 CB LEU A 66 8.662 -13.422 -2.307 1.00 0.00 C ATOM 1114 CG LEU A 66 8.797 -14.940 -2.190 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.291 -15.424 -0.839 1.00 0.00 C ATOM 1116 CD2 LEU A 66 8.048 -15.627 -3.319 1.00 0.00 C ATOM 0 H LEU A 66 8.468 -10.970 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 66 9.317 -13.020 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.613 -13.154 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.945 -13.124 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 66 9.853 -15.198 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.397 -16.507 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.873 -14.957 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.241 -15.155 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.154 -16.707 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.992 -15.360 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.460 -15.307 -4.276 1.00 0.00 H new ATOM 1128 N GLU A 67 11.470 -11.863 -2.493 1.00 0.00 N ATOM 1129 CA GLU A 67 12.891 -11.787 -2.824 1.00 0.00 C ATOM 1130 C GLU A 67 13.729 -11.501 -1.582 1.00 0.00 C ATOM 1131 O GLU A 67 14.864 -11.961 -1.466 1.00 0.00 O ATOM 1132 CB GLU A 67 13.130 -10.690 -3.863 1.00 0.00 C ATOM 1133 CG GLU A 67 12.644 -11.047 -5.254 1.00 0.00 C ATOM 1134 CD GLU A 67 13.499 -12.110 -5.905 1.00 0.00 C ATOM 1135 OE1 GLU A 67 14.479 -11.746 -6.585 1.00 0.00 O ATOM 1136 OE2 GLU A 67 13.208 -13.310 -5.732 1.00 0.00 O ATOM 0 H GLU A 67 10.893 -11.178 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 67 13.193 -12.751 -3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.630 -9.778 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.197 -10.470 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.613 -11.397 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.643 -10.153 -5.877 1.00 0.00 H new ATOM 1143 N SER A 68 13.154 -10.752 -0.654 1.00 0.00 N ATOM 1144 CA SER A 68 13.846 -10.381 0.570 1.00 0.00 C ATOM 1145 C SER A 68 13.818 -11.534 1.574 1.00 0.00 C ATOM 1146 O SER A 68 14.563 -11.536 2.554 1.00 0.00 O ATOM 1147 CB SER A 68 13.201 -9.131 1.176 1.00 0.00 C ATOM 1148 OG SER A 68 13.968 -8.614 2.253 1.00 0.00 O ATOM 0 H SER A 68 12.204 -10.387 -0.726 1.00 0.00 H new ATOM 0 HA SER A 68 14.887 -10.162 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.094 -8.367 0.406 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.198 -9.373 1.527 1.00 0.00 H new ATOM 0 HG SER A 68 14.365 -9.355 2.757 1.00 0.00 H new ATOM 1154 N GLY A 69 12.965 -12.516 1.314 1.00 0.00 N ATOM 1155 CA GLY A 69 12.852 -13.652 2.203 1.00 0.00 C ATOM 1156 C GLY A 69 11.727 -13.494 3.203 1.00 0.00 C ATOM 1157 O GLY A 69 11.805 -13.998 4.325 1.00 0.00 O ATOM 0 H GLY A 69 12.349 -12.545 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.687 -14.555 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.793 -13.787 2.737 1.00 0.00 H new ATOM 1161 N LEU A 70 10.677 -12.794 2.799 1.00 0.00 N ATOM 1162 CA LEU A 70 9.513 -12.621 3.655 1.00 0.00 C ATOM 1163 C LEU A 70 8.579 -13.815 3.542 1.00 0.00 C ATOM 1164 O LEU A 70 8.298 -14.292 2.442 1.00 0.00 O ATOM 1165 CB LEU A 70 8.762 -11.337 3.305 1.00 0.00 C ATOM 1166 CG LEU A 70 9.334 -10.064 3.929 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.625 -8.836 3.389 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.202 -10.114 5.441 1.00 0.00 C ATOM 0 H LEU A 70 10.607 -12.339 1.889 1.00 0.00 H new ATOM 0 HA LEU A 70 9.866 -12.547 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.756 -11.221 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.724 -11.444 3.620 1.00 0.00 H new ATOM 0 HG LEU A 70 10.390 -10.000 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.048 -7.941 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.755 -8.787 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.562 -8.896 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.613 -9.201 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.150 -10.201 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.748 -10.975 5.826 1.00 0.00 H new ATOM 1180 N SER A 71 8.116 -14.298 4.688 1.00 0.00 N ATOM 1181 CA SER A 71 7.202 -15.429 4.739 1.00 0.00 C ATOM 1182 C SER A 71 5.890 -15.088 4.032 1.00 0.00 C ATOM 1183 O SER A 71 5.342 -13.998 4.222 1.00 0.00 O ATOM 1184 CB SER A 71 6.937 -15.810 6.196 1.00 0.00 C ATOM 1185 OG SER A 71 8.157 -15.989 6.901 1.00 0.00 O ATOM 0 H SER A 71 8.362 -13.919 5.602 1.00 0.00 H new ATOM 0 HA SER A 71 7.657 -16.276 4.225 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.344 -15.032 6.678 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.351 -16.728 6.236 1.00 0.00 H new ATOM 0 HG SER A 71 7.965 -16.231 7.831 1.00 0.00 H new ATOM 1191 N PRO A 72 5.374 -16.021 3.210 1.00 0.00 N ATOM 1192 CA PRO A 72 4.157 -15.807 2.414 1.00 0.00 C ATOM 1193 C PRO A 72 2.965 -15.364 3.259 1.00 0.00 C ATOM 1194 O PRO A 72 2.105 -14.626 2.786 1.00 0.00 O ATOM 1195 CB PRO A 72 3.890 -17.177 1.787 1.00 0.00 C ATOM 1196 CG PRO A 72 5.217 -17.852 1.769 1.00 0.00 C ATOM 1197 CD PRO A 72 5.946 -17.362 2.989 1.00 0.00 C ATOM 0 HA PRO A 72 4.292 -15.008 1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.165 -17.745 2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.482 -17.079 0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.104 -18.936 1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.767 -17.607 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.781 -18.016 3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.023 -17.318 2.824 1.00 0.00 H new ATOM 1205 N THR A 73 2.926 -15.809 4.507 1.00 0.00 N ATOM 1206 CA THR A 73 1.874 -15.413 5.432 1.00 0.00 C ATOM 1207 C THR A 73 1.893 -13.902 5.674 1.00 0.00 C ATOM 1208 O THR A 73 0.872 -13.222 5.538 1.00 0.00 O ATOM 1209 CB THR A 73 2.029 -16.157 6.769 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.421 -16.250 7.107 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.418 -17.552 6.692 1.00 0.00 C ATOM 0 H THR A 73 3.615 -16.448 4.904 1.00 0.00 H new ATOM 0 HA THR A 73 0.917 -15.678 4.983 1.00 0.00 H new ATOM 0 HB THR A 73 1.501 -15.598 7.541 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.520 -16.723 7.960 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.541 -18.057 7.650 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.356 -17.472 6.458 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.919 -18.126 5.913 1.00 0.00 H new ATOM 1219 N ARG A 74 3.070 -13.379 5.997 1.00 0.00 N ATOM 1220 CA ARG A 74 3.239 -11.957 6.262 1.00 0.00 C ATOM 1221 C ARG A 74 3.078 -11.156 4.972 1.00 0.00 C ATOM 1222 O ARG A 74 2.659 -9.995 4.989 1.00 0.00 O ATOM 1223 CB ARG A 74 4.611 -11.705 6.888 1.00 0.00 C ATOM 1224 CG ARG A 74 4.850 -10.262 7.302 1.00 0.00 C ATOM 1225 CD ARG A 74 6.133 -10.126 8.104 1.00 0.00 C ATOM 1226 NE ARG A 74 6.081 -10.896 9.347 1.00 0.00 N ATOM 1227 CZ ARG A 74 7.098 -11.609 9.829 1.00 0.00 C ATOM 1228 NH1 ARG A 74 8.256 -11.643 9.184 1.00 0.00 N ATOM 1229 NH2 ARG A 74 6.955 -12.294 10.957 1.00 0.00 N ATOM 0 H ARG A 74 3.928 -13.925 6.082 1.00 0.00 H new ATOM 0 HA ARG A 74 2.471 -11.631 6.963 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.722 -12.346 7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.382 -12.000 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.904 -9.631 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.008 -9.907 7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.976 -10.465 7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.308 -9.075 8.334 1.00 0.00 H new ATOM 0 HE ARG A 74 5.210 -10.886 9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.371 -11.122 8.315 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.032 -12.190 9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.066 -12.275 11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.735 -12.839 11.325 1.00 0.00 H new ATOM 1243 N VAL A 75 3.402 -11.784 3.848 1.00 0.00 N ATOM 1244 CA VAL A 75 3.189 -11.169 2.545 1.00 0.00 C ATOM 1245 C VAL A 75 1.702 -10.876 2.333 1.00 0.00 C ATOM 1246 O VAL A 75 1.338 -9.826 1.788 1.00 0.00 O ATOM 1247 CB VAL A 75 3.712 -12.067 1.399 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.380 -11.476 0.034 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.214 -12.273 1.528 1.00 0.00 C ATOM 0 H VAL A 75 3.812 -12.717 3.813 1.00 0.00 H new ATOM 0 HA VAL A 75 3.750 -10.235 2.527 1.00 0.00 H new ATOM 0 HB VAL A 75 3.212 -13.032 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.762 -12.132 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.299 -11.380 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.842 -10.493 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.566 -12.907 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.719 -11.308 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.435 -12.752 2.482 1.00 0.00 H new ATOM 1259 N ARG A 76 0.853 -11.796 2.788 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.594 -11.647 2.654 1.00 0.00 C ATOM 1261 C ARG A 76 -1.110 -10.561 3.592 1.00 0.00 C ATOM 1262 O ARG A 76 -2.073 -9.863 3.275 1.00 0.00 O ATOM 1263 CB ARG A 76 -1.313 -12.965 2.956 1.00 0.00 C ATOM 1264 CG ARG A 76 -0.784 -14.154 2.173 1.00 0.00 C ATOM 1265 CD ARG A 76 -1.567 -15.419 2.483 1.00 0.00 C ATOM 1266 NE ARG A 76 -0.758 -16.624 2.304 1.00 0.00 N ATOM 1267 CZ ARG A 76 -1.210 -17.760 1.769 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -2.444 -17.836 1.281 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -0.421 -18.822 1.725 1.00 0.00 N ATOM 0 H ARG A 76 1.144 -12.655 3.254 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.802 -11.361 1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.226 -13.178 4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.375 -12.845 2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.841 -13.942 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.268 -14.309 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.932 -15.377 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.442 -15.471 1.836 1.00 0.00 H new ATOM 0 HE ARG A 76 0.215 -16.594 2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.056 -17.021 1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.779 -18.710 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.527 -18.769 2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.761 -19.693 1.317 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.472 -10.429 4.750 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.832 -9.382 5.702 1.00 0.00 C ATOM 1285 C TYR A 77 -0.630 -8.007 5.074 1.00 0.00 C ATOM 1286 O TYR A 77 -1.505 -7.146 5.137 1.00 0.00 O ATOM 1287 CB TYR A 77 0.002 -9.508 6.978 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.374 -8.514 8.054 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -1.629 -8.552 8.645 1.00 0.00 C ATOM 1290 CD2 TYR A 77 0.528 -7.549 8.488 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -1.977 -7.657 9.637 1.00 0.00 C ATOM 1292 CE2 TYR A 77 0.186 -6.646 9.479 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.067 -6.706 10.050 1.00 0.00 C ATOM 1294 OH TYR A 77 -1.412 -5.817 11.043 1.00 0.00 O ATOM 0 H TYR A 77 0.294 -11.031 5.052 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.884 -9.498 5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.108 -10.517 7.375 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.055 -9.377 6.727 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.345 -9.294 8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.512 -7.504 8.044 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.957 -7.701 10.088 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.896 -5.899 9.803 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.209 -5.315 10.771 1.00 0.00 H new ATOM 1304 N ILE A 78 0.527 -7.817 4.455 1.00 0.00 N ATOM 1305 CA ILE A 78 0.818 -6.581 3.738 1.00 0.00 C ATOM 1306 C ILE A 78 -0.171 -6.375 2.582 1.00 0.00 C ATOM 1307 O ILE A 78 -0.484 -5.244 2.212 1.00 0.00 O ATOM 1308 CB ILE A 78 2.272 -6.581 3.212 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.240 -6.762 4.385 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.582 -5.295 2.452 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.685 -6.921 3.969 1.00 0.00 C ATOM 0 H ILE A 78 1.281 -8.504 4.434 1.00 0.00 H new ATOM 0 HA ILE A 78 0.706 -5.752 4.437 1.00 0.00 H new ATOM 0 HB ILE A 78 2.392 -7.411 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.156 -5.901 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.939 -7.638 4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.611 -5.323 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.905 -5.202 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.452 -4.440 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.307 -7.044 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.785 -7.799 3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.005 -6.035 3.421 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.673 -7.474 2.028 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.693 -7.405 0.982 1.00 0.00 C ATOM 1325 C HIS A 79 -2.992 -6.805 1.529 1.00 0.00 C ATOM 1326 O HIS A 79 -3.527 -5.855 0.960 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.958 -8.800 0.384 1.00 0.00 C ATOM 1328 CG HIS A 79 -3.211 -8.889 -0.446 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -4.244 -9.748 -0.146 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -3.598 -8.220 -1.560 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -5.208 -9.602 -1.035 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -4.845 -8.680 -1.905 1.00 0.00 N ATOM 0 H HIS A 79 -0.393 -8.421 2.283 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.320 -6.756 0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.106 -9.086 -0.233 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.021 -9.525 1.196 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.030 -7.464 -2.081 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.140 -10.147 -1.048 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.398 -8.362 -2.701 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.487 -7.354 2.632 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.777 -6.935 3.168 1.00 0.00 C ATOM 1343 C VAL A 80 -4.711 -5.537 3.776 1.00 0.00 C ATOM 1344 O VAL A 80 -5.658 -4.761 3.645 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.342 -7.936 4.205 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -5.629 -9.273 3.547 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.395 -8.116 5.384 1.00 0.00 C ATOM 0 H VAL A 80 -3.020 -8.084 3.169 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.459 -6.914 2.318 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.275 -7.524 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.026 -9.966 4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.360 -9.137 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.708 -9.678 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.825 -8.825 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.437 -8.495 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.244 -7.157 5.879 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.594 -5.204 4.419 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.444 -3.886 5.027 1.00 0.00 C ATOM 1359 C VAL A 81 -3.430 -2.798 3.952 1.00 0.00 C ATOM 1360 O VAL A 81 -4.011 -1.729 4.129 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.176 -3.788 5.916 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -0.899 -3.917 5.101 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.171 -2.489 6.706 1.00 0.00 C ATOM 0 H VAL A 81 -2.789 -5.821 4.531 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.305 -3.733 5.677 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.207 -4.625 6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.036 -3.843 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.886 -4.882 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.858 -3.118 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.273 -2.441 7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.184 -1.644 6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.053 -2.449 7.346 1.00 0.00 H new ATOM 1373 N LEU A 82 -2.793 -3.091 2.822 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.758 -2.157 1.708 1.00 0.00 C ATOM 1375 C LEU A 82 -4.137 -2.072 1.063 1.00 0.00 C ATOM 1376 O LEU A 82 -4.611 -0.989 0.721 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.710 -2.594 0.678 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.484 -1.618 -0.479 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -0.994 -0.274 0.043 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.492 -2.195 -1.480 1.00 0.00 C ATOM 0 H LEU A 82 -2.296 -3.966 2.657 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.481 -1.171 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.761 -2.748 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.009 -3.558 0.266 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.436 -1.464 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.839 0.407 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.738 0.147 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.054 -0.412 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.344 -1.487 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.460 -2.380 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.881 -3.132 -1.879 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.783 -3.225 0.928 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.120 -3.305 0.348 1.00 0.00 C ATOM 1394 C HIS A 83 -7.116 -2.449 1.128 1.00 0.00 C ATOM 1395 O HIS A 83 -7.884 -1.689 0.537 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.591 -4.767 0.301 1.00 0.00 C ATOM 1397 CG HIS A 83 -8.008 -4.944 -0.162 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.378 -4.964 -1.490 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -9.153 -5.110 0.544 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -9.685 -5.133 -1.577 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -10.177 -5.222 -0.359 1.00 0.00 N ATOM 0 H HIS A 83 -4.399 -4.125 1.215 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.071 -2.915 -0.669 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.932 -5.328 -0.361 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.489 -5.202 1.295 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.742 -4.864 -2.281 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.242 -5.147 1.620 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.254 -5.189 -2.493 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.096 -2.561 2.450 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.068 -1.858 3.274 1.00 0.00 C ATOM 1412 C GLU A 84 -7.684 -0.394 3.466 1.00 0.00 C ATOM 1413 O GLU A 84 -8.523 0.425 3.828 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.240 -2.558 4.624 1.00 0.00 C ATOM 1415 CG GLU A 84 -7.003 -2.544 5.505 1.00 0.00 C ATOM 1416 CD GLU A 84 -7.199 -3.346 6.774 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -8.086 -2.985 7.580 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -6.485 -4.352 6.967 1.00 0.00 O ATOM 0 H GLU A 84 -6.424 -3.126 2.970 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.024 -1.881 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.059 -2.083 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.533 -3.593 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.157 -2.948 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.753 -1.515 5.762 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.421 -0.068 3.212 1.00 0.00 N ATOM 1426 CA ALA A 85 -5.957 1.315 3.296 1.00 0.00 C ATOM 1427 C ALA A 85 -6.269 2.073 2.009 1.00 0.00 C ATOM 1428 O ALA A 85 -6.542 3.272 2.026 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.465 1.364 3.592 1.00 0.00 C ATOM 0 H ALA A 85 -5.701 -0.740 2.947 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.489 1.799 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.140 2.403 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.266 0.867 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.919 0.857 2.796 1.00 0.00 H new ATOM 1435 N MET A 86 -6.228 1.369 0.885 1.00 0.00 N ATOM 1436 CA MET A 86 -6.536 1.984 -0.401 1.00 0.00 C ATOM 1437 C MET A 86 -8.040 1.989 -0.646 1.00 0.00 C ATOM 1438 O MET A 86 -8.519 2.575 -1.619 1.00 0.00 O ATOM 1439 CB MET A 86 -5.818 1.262 -1.547 1.00 0.00 C ATOM 1440 CG MET A 86 -4.300 1.311 -1.447 1.00 0.00 C ATOM 1441 SD MET A 86 -3.482 0.627 -2.904 1.00 0.00 S ATOM 1442 CE MET A 86 -3.926 1.841 -4.146 1.00 0.00 C ATOM 0 H MET A 86 -5.987 0.379 0.837 1.00 0.00 H new ATOM 0 HA MET A 86 -6.180 3.014 -0.370 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.138 0.220 -1.565 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.125 1.707 -2.494 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.982 2.345 -1.309 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.980 0.759 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.109 1.948 -4.859 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.824 1.514 -4.670 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.115 2.801 -3.665 1.00 0.00 H new ATOM 1452 N SER A 87 -8.781 1.341 0.244 1.00 0.00 N ATOM 1453 CA SER A 87 -10.234 1.308 0.147 1.00 0.00 C ATOM 1454 C SER A 87 -10.819 2.715 0.245 1.00 0.00 C ATOM 1455 O SER A 87 -11.697 3.087 -0.532 1.00 0.00 O ATOM 1456 CB SER A 87 -10.822 0.413 1.239 1.00 0.00 C ATOM 1457 OG SER A 87 -10.427 -0.938 1.058 1.00 0.00 O ATOM 0 H SER A 87 -8.399 0.831 1.041 1.00 0.00 H new ATOM 0 HA SER A 87 -10.499 0.895 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.493 0.764 2.217 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.910 0.483 1.224 1.00 0.00 H new ATOM 0 HG SER A 87 -9.467 -0.975 0.863 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.311 3.504 1.187 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.789 4.872 1.379 1.00 0.00 C ATOM 1465 C GLN A 88 -10.514 5.710 0.137 1.00 0.00 C ATOM 1466 O GLN A 88 -11.305 6.578 -0.226 1.00 0.00 O ATOM 1467 CB GLN A 88 -10.138 5.530 2.603 1.00 0.00 C ATOM 1468 CG GLN A 88 -10.540 4.920 3.941 1.00 0.00 C ATOM 1469 CD GLN A 88 -9.982 3.528 4.146 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -8.931 3.190 3.612 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -10.670 2.720 4.934 1.00 0.00 N ATOM 0 H GLN A 88 -9.570 3.222 1.829 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.864 4.822 1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.055 5.466 2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.395 6.589 2.610 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.195 5.567 4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.627 4.883 4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.540 3.041 5.359 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.331 1.776 5.117 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.395 5.432 -0.521 1.00 0.00 N ATOM 1481 CA ALA A 89 -9.031 6.134 -1.745 1.00 0.00 C ATOM 1482 C ALA A 89 -10.046 5.851 -2.850 1.00 0.00 C ATOM 1483 O ALA A 89 -10.375 6.730 -3.652 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.632 5.732 -2.182 1.00 0.00 C ATOM 0 H ALA A 89 -8.723 4.724 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.038 7.206 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.370 6.262 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.919 5.987 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.602 4.658 -2.364 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.550 4.622 -2.872 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.574 4.228 -3.833 1.00 0.00 C ATOM 1492 C ARG A 90 -12.905 4.887 -3.488 1.00 0.00 C ATOM 1493 O ARG A 90 -13.584 5.427 -4.363 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.727 2.703 -3.855 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.784 2.210 -4.832 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.856 0.692 -4.877 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.318 0.118 -3.615 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.135 -0.931 -3.526 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -14.607 -1.512 -4.621 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -14.489 -1.392 -2.337 1.00 0.00 N ATOM 0 H ARG A 90 -10.265 3.879 -2.233 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.266 4.561 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.768 2.254 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.981 2.357 -2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.757 2.611 -4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.562 2.592 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.528 0.387 -5.679 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.871 0.291 -5.116 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.995 0.547 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.345 -1.156 -5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.232 -2.314 -4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.137 -0.944 -1.491 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.114 -2.195 -2.267 1.00 0.00 H new ATOM 1514 N GLU A 91 -13.262 4.852 -2.207 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.501 5.467 -1.734 1.00 0.00 C ATOM 1516 C GLU A 91 -14.517 6.966 -2.027 1.00 0.00 C ATOM 1517 O GLU A 91 -15.540 7.521 -2.423 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.669 5.243 -0.228 1.00 0.00 C ATOM 1519 CG GLU A 91 -14.712 3.780 0.181 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.871 3.030 -0.440 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -17.029 3.439 -0.238 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -15.624 2.016 -1.129 1.00 0.00 O ATOM 0 H GLU A 91 -12.710 4.403 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.328 4.996 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.847 5.731 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.588 5.728 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.778 3.299 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.782 3.713 1.267 1.00 0.00 H new ATOM 1529 N SER A 92 -13.369 7.611 -1.843 1.00 0.00 N ATOM 1530 CA SER A 92 -13.249 9.045 -2.069 1.00 0.00 C ATOM 1531 C SER A 92 -13.366 9.382 -3.557 1.00 0.00 C ATOM 1532 O SER A 92 -13.631 10.527 -3.923 1.00 0.00 O ATOM 1533 CB SER A 92 -11.916 9.553 -1.516 1.00 0.00 C ATOM 1534 OG SER A 92 -11.775 9.227 -0.141 1.00 0.00 O ATOM 0 H SER A 92 -12.507 7.160 -1.537 1.00 0.00 H new ATOM 0 HA SER A 92 -14.067 9.541 -1.546 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.094 9.116 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.853 10.634 -1.645 1.00 0.00 H new ATOM 0 HG SER A 92 -11.428 8.314 -0.055 1.00 0.00 H new ATOM 1540 N GLY A 93 -13.171 8.381 -4.407 1.00 0.00 N ATOM 1541 CA GLY A 93 -13.300 8.588 -5.835 1.00 0.00 C ATOM 1542 C GLY A 93 -12.088 9.263 -6.440 1.00 0.00 C ATOM 1543 O GLY A 93 -12.180 9.888 -7.495 1.00 0.00 O ATOM 0 H GLY A 93 -12.926 7.430 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.457 7.627 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.184 9.194 -6.032 1.00 0.00 H new ATOM 1547 N LEU A 94 -10.947 9.140 -5.778 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.716 9.738 -6.280 1.00 0.00 C ATOM 1549 C LEU A 94 -8.917 8.718 -7.079 1.00 0.00 C ATOM 1550 O LEU A 94 -7.915 9.051 -7.718 1.00 0.00 O ATOM 1551 CB LEU A 94 -8.886 10.315 -5.123 1.00 0.00 C ATOM 1552 CG LEU A 94 -8.507 9.332 -4.008 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.250 8.551 -4.364 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.326 10.069 -2.689 1.00 0.00 C ATOM 0 H LEU A 94 -10.846 8.635 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.973 10.560 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.969 10.736 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.444 11.139 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.322 8.617 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.007 7.863 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.420 7.987 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.421 9.243 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.057 9.357 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.534 10.810 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.257 10.568 -2.420 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.377 7.479 -7.047 1.00 0.00 N ATOM 1567 CA LEU A 95 -8.724 6.398 -7.760 1.00 0.00 C ATOM 1568 C LEU A 95 -9.641 5.909 -8.881 1.00 0.00 C ATOM 1569 O LEU A 95 -10.191 6.721 -9.629 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.379 5.267 -6.780 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.366 4.237 -7.286 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.106 4.930 -7.778 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -7.026 3.245 -6.186 1.00 0.00 C ATOM 0 H LEU A 95 -10.209 7.196 -6.529 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.794 6.748 -8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.991 5.711 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.299 4.746 -6.517 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.812 3.694 -8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.396 4.184 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.359 5.609 -8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.659 5.495 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.305 2.519 -6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.598 3.777 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.932 2.727 -5.871 1.00 0.00 H new ATOM 1585 N LEU A 96 -9.825 4.599 -8.982 1.00 0.00 N ATOM 1586 CA LEU A 96 -10.656 4.014 -10.024 1.00 0.00 C ATOM 1587 C LEU A 96 -11.006 2.572 -9.677 1.00 0.00 C ATOM 1588 O LEU A 96 -12.170 2.176 -9.693 1.00 0.00 O ATOM 1589 CB LEU A 96 -9.926 4.051 -11.370 1.00 0.00 C ATOM 1590 CG LEU A 96 -10.663 3.376 -12.529 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -11.969 4.093 -12.832 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -9.776 3.322 -13.762 1.00 0.00 C ATOM 0 H LEU A 96 -9.406 3.918 -8.349 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.574 4.598 -10.097 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.740 5.092 -11.636 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.954 3.573 -11.251 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.903 2.354 -12.234 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -12.474 3.595 -13.659 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.609 4.071 -11.950 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.761 5.128 -13.104 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.315 2.839 -14.577 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.502 4.335 -14.058 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.874 2.753 -13.537 1.00 0.00 H new ATOM 1604 N GLN A 97 -9.985 1.804 -9.347 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.139 0.379 -9.103 1.00 0.00 C ATOM 1606 C GLN A 97 -9.391 -0.013 -7.841 1.00 0.00 C ATOM 1607 O GLN A 97 -8.905 0.852 -7.115 1.00 0.00 O ATOM 1608 CB GLN A 97 -9.605 -0.412 -10.299 1.00 0.00 C ATOM 1609 CG GLN A 97 -8.167 -0.066 -10.650 1.00 0.00 C ATOM 1610 CD GLN A 97 -7.628 -0.897 -11.795 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -7.083 -1.984 -11.588 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -7.760 -0.387 -13.009 1.00 0.00 N ATOM 0 H GLN A 97 -9.030 2.146 -9.240 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.196 0.150 -8.971 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.673 -1.478 -10.081 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -10.240 -0.222 -11.165 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.106 0.990 -10.913 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.538 -0.213 -9.772 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.218 0.516 -13.136 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.404 -0.897 -13.818 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.306 -1.304 -7.572 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.527 -1.783 -6.443 1.00 0.00 C ATOM 1623 C ASN A 98 -7.323 -2.569 -6.957 1.00 0.00 C ATOM 1624 O ASN A 98 -7.431 -3.747 -7.298 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.381 -2.648 -5.521 1.00 0.00 C ATOM 1626 CG ASN A 98 -8.680 -2.955 -4.217 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -7.930 -3.917 -4.116 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -8.930 -2.145 -3.200 1.00 0.00 N ATOM 0 H ASN A 98 -9.764 -2.036 -8.116 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.178 -0.928 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.322 -2.138 -5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.629 -3.581 -6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -8.492 -2.313 -2.294 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.561 -1.353 -3.322 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.155 -1.913 -7.021 1.00 0.00 N ATOM 1636 CA PRO A 99 -4.974 -2.457 -7.690 1.00 0.00 C ATOM 1637 C PRO A 99 -4.312 -3.606 -6.937 1.00 0.00 C ATOM 1638 O PRO A 99 -3.484 -4.318 -7.506 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.019 -1.256 -7.792 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.806 -0.065 -7.346 1.00 0.00 C ATOM 1641 CD PRO A 99 -5.889 -0.588 -6.453 1.00 0.00 C ATOM 0 HA PRO A 99 -5.243 -2.892 -8.653 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.141 -1.401 -7.163 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.662 -1.127 -8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.171 0.643 -6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.228 0.464 -8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.564 -0.649 -5.414 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.774 0.048 -6.473 1.00 0.00 H new ATOM 1649 N THR A 100 -4.674 -3.806 -5.672 1.00 0.00 N ATOM 1650 CA THR A 100 -4.078 -4.880 -4.893 1.00 0.00 C ATOM 1651 C THR A 100 -4.650 -6.226 -5.321 1.00 0.00 C ATOM 1652 O THR A 100 -3.954 -7.241 -5.304 1.00 0.00 O ATOM 1653 CB THR A 100 -4.279 -4.687 -3.371 1.00 0.00 C ATOM 1654 OG1 THR A 100 -5.667 -4.769 -3.028 1.00 0.00 O ATOM 1655 CG2 THR A 100 -3.726 -3.345 -2.915 1.00 0.00 C ATOM 0 H THR A 100 -5.366 -3.247 -5.174 1.00 0.00 H new ATOM 0 HA THR A 100 -3.006 -4.856 -5.089 1.00 0.00 H new ATOM 0 HB THR A 100 -3.737 -5.485 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.202 -4.325 -3.719 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.880 -3.234 -1.842 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.660 -3.297 -3.136 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.242 -2.541 -3.440 1.00 0.00 H new ATOM 1663 N GLU A 101 -5.918 -6.224 -5.724 1.00 0.00 N ATOM 1664 CA GLU A 101 -6.570 -7.443 -6.183 1.00 0.00 C ATOM 1665 C GLU A 101 -6.283 -7.659 -7.663 1.00 0.00 C ATOM 1666 O GLU A 101 -6.440 -8.764 -8.191 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.082 -7.376 -5.956 1.00 0.00 C ATOM 1668 CG GLU A 101 -8.485 -6.933 -4.559 1.00 0.00 C ATOM 1669 CD GLU A 101 -7.776 -7.695 -3.460 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -8.275 -8.759 -3.047 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -6.722 -7.214 -2.988 1.00 0.00 O ATOM 0 H GLU A 101 -6.511 -5.394 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.172 -8.279 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.517 -6.689 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.511 -8.359 -6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.274 -5.869 -4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.561 -7.059 -4.442 1.00 0.00 H new ATOM 1678 N ALA A 102 -5.867 -6.586 -8.327 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.529 -6.632 -9.741 1.00 0.00 C ATOM 1680 C ALA A 102 -4.101 -7.134 -9.937 1.00 0.00 C ATOM 1681 O ALA A 102 -3.697 -7.477 -11.048 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.711 -5.256 -10.370 1.00 0.00 C ATOM 0 H ALA A 102 -5.756 -5.666 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.202 -7.330 -10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.455 -5.303 -11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.749 -4.941 -10.261 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.060 -4.539 -9.871 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.347 -7.181 -8.849 1.00 0.00 N ATOM 1689 CA ALA A 103 -1.993 -7.705 -8.878 1.00 0.00 C ATOM 1690 C ALA A 103 -2.020 -9.205 -8.635 1.00 0.00 C ATOM 1691 O ALA A 103 -2.938 -9.718 -8.000 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.131 -7.010 -7.836 1.00 0.00 C ATOM 0 H ALA A 103 -3.654 -6.860 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.558 -7.513 -9.859 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.120 -7.415 -7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.101 -5.940 -8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.553 -7.176 -6.845 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.029 -9.909 -9.153 1.00 0.00 N ATOM 1699 CA LYS A 104 -0.972 -11.353 -8.988 1.00 0.00 C ATOM 1700 C LYS A 104 -0.196 -11.709 -7.729 1.00 0.00 C ATOM 1701 O LYS A 104 0.980 -11.369 -7.600 1.00 0.00 O ATOM 1702 CB LYS A 104 -0.330 -12.032 -10.204 1.00 0.00 C ATOM 1703 CG LYS A 104 -1.201 -12.046 -11.458 1.00 0.00 C ATOM 1704 CD LYS A 104 -1.334 -10.668 -12.093 1.00 0.00 C ATOM 1705 CE LYS A 104 0.013 -10.118 -12.540 1.00 0.00 C ATOM 1706 NZ LYS A 104 0.694 -11.023 -13.501 1.00 0.00 N ATOM 0 H LYS A 104 -0.258 -9.509 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.996 -11.717 -8.897 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.607 -11.525 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.080 -13.060 -9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.774 -12.737 -12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.192 -12.422 -11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.005 -10.726 -12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.788 -9.981 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.130 -9.141 -13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.651 -9.969 -11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.500 -10.528 -13.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.035 -11.868 -13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.024 -11.308 -14.244 1.00 0.00 H new