USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 SER OG : rot 78:sc= 0.267 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 175:sc= 0.144 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 43 TYR OH : rot 165:sc= -0.468 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -0.124 F(o=-1.8,f=-0.12) USER MOD Single : A 60 CYS SG : rot 60:sc= -3.22! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc=-0.00946 K(o=-0.0095,f=-1.3) USER MOD Single : A 71 TYR OH : rot 0:sc= 0.00981 USER MOD Single : A 73 HIS :FLIP no HE2:sc= -0.17 F(o=-1,f=-0.17) USER MOD Single : A 77 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.2!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -0.71 F(o=-1.6!,f=-0.71) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 30:sc= 0.39 USER MOD Single : A 110 MET CE :methyl -140:sc= -0.21 (180deg=-1.89) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -177:sc= 0.145 (180deg=0.141) USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= -1.65! (180deg=-1.73!) USER MOD Single : A 123 THR OG1 : rot 95:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 11 -2.875 -20.888 2.880 1.00 0.00 N ATOM 109 CA TRP A 11 -2.736 -19.503 2.444 1.00 0.00 C ATOM 110 C TRP A 11 -3.522 -18.565 3.353 1.00 0.00 C ATOM 111 O TRP A 11 -4.724 -18.741 3.553 1.00 0.00 O ATOM 112 CB TRP A 11 -3.214 -19.352 0.999 1.00 0.00 C ATOM 113 CG TRP A 11 -2.496 -18.273 0.245 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.319 -17.674 0.594 1.00 0.00 C ATOM 115 CD2 TRP A 11 -2.910 -17.664 -0.983 1.00 0.00 C ATOM 116 NE1 TRP A 11 -0.977 -16.730 -0.343 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.936 -16.705 -1.321 1.00 0.00 C ATOM 118 CE3 TRP A 11 -4.007 -17.838 -1.830 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -2.029 -15.923 -2.469 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -4.098 -17.061 -2.969 1.00 0.00 C ATOM 121 CH2 TRP A 11 -3.114 -16.114 -3.281 1.00 0.00 C ATOM 0 HA TRP A 11 -1.681 -19.234 2.501 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -3.079 -20.300 0.478 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.283 -19.137 0.998 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.742 -17.908 1.477 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -0.144 -16.142 -0.315 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.770 -18.566 -1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.272 -15.192 -2.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.943 -17.186 -3.630 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.214 -15.523 -4.180 1.00 0.00 H new ATOM 132 N VAL A 12 -2.837 -17.567 3.901 1.00 0.00 N ATOM 133 CA VAL A 12 -3.472 -16.600 4.789 1.00 0.00 C ATOM 134 C VAL A 12 -4.004 -15.404 4.007 1.00 0.00 C ATOM 135 O VAL A 12 -4.922 -14.715 4.453 1.00 0.00 O ATOM 136 CB VAL A 12 -2.493 -16.100 5.867 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.862 -17.273 6.601 1.00 0.00 C ATOM 138 CG2 VAL A 12 -1.425 -15.212 5.247 1.00 0.00 C ATOM 0 H VAL A 12 -1.842 -17.407 3.746 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.303 -17.113 5.274 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.051 -15.506 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.173 -16.900 7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.642 -17.865 7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.318 -17.896 5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.742 -14.868 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.869 -15.779 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.897 -14.352 4.772 1.00 0.00 H new ATOM 148 N LEU A 13 -3.421 -15.162 2.838 1.00 0.00 N ATOM 149 CA LEU A 13 -3.836 -14.048 1.992 1.00 0.00 C ATOM 150 C LEU A 13 -5.348 -14.052 1.791 1.00 0.00 C ATOM 151 O LEU A 13 -6.029 -13.046 1.995 1.00 0.00 O ATOM 152 CB LEU A 13 -3.130 -14.120 0.637 1.00 0.00 C ATOM 153 CG LEU A 13 -3.719 -13.250 -0.474 1.00 0.00 C ATOM 154 CD1 LEU A 13 -4.967 -13.897 -1.053 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.032 -11.856 0.049 1.00 0.00 C ATOM 0 H LEU A 13 -2.660 -15.722 2.454 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.556 -13.120 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.087 -13.837 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.137 -15.157 0.301 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.979 -13.160 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.372 -13.264 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.713 -14.873 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.712 -14.019 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.450 -11.251 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.754 -11.926 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.117 -11.391 0.415 1.00 0.00 H new ATOM 167 N PRO A 14 -5.888 -15.209 1.382 1.00 0.00 N ATOM 168 CA PRO A 14 -7.326 -15.373 1.147 1.00 0.00 C ATOM 169 C PRO A 14 -8.132 -15.340 2.441 1.00 0.00 C ATOM 170 O PRO A 14 -9.271 -14.872 2.462 1.00 0.00 O ATOM 171 CB PRO A 14 -7.423 -16.753 0.491 1.00 0.00 C ATOM 172 CG PRO A 14 -6.216 -17.484 0.967 1.00 0.00 C ATOM 173 CD PRO A 14 -5.137 -16.448 1.119 1.00 0.00 C ATOM 0 HA PRO A 14 -7.734 -14.567 0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.338 -17.267 0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.435 -16.675 -0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.412 -17.985 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.920 -18.254 0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.461 -16.690 1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.529 -16.366 0.218 1.00 0.00 H new ATOM 181 N SER A 15 -7.535 -15.839 3.518 1.00 0.00 N ATOM 182 CA SER A 15 -8.200 -15.870 4.816 1.00 0.00 C ATOM 183 C SER A 15 -8.458 -14.456 5.327 1.00 0.00 C ATOM 184 O SER A 15 -9.518 -14.170 5.883 1.00 0.00 O ATOM 185 CB SER A 15 -7.354 -16.644 5.828 1.00 0.00 C ATOM 186 OG SER A 15 -6.968 -17.906 5.311 1.00 0.00 O ATOM 0 H SER A 15 -6.592 -16.228 3.518 1.00 0.00 H new ATOM 0 HA SER A 15 -9.158 -16.374 4.694 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.466 -16.065 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.920 -16.783 6.749 1.00 0.00 H new ATOM 0 HG SER A 15 -6.225 -17.789 4.683 1.00 0.00 H new ATOM 192 N GLU A 16 -7.480 -13.576 5.135 1.00 0.00 N ATOM 193 CA GLU A 16 -7.600 -12.192 5.578 1.00 0.00 C ATOM 194 C GLU A 16 -8.646 -11.446 4.754 1.00 0.00 C ATOM 195 O GLU A 16 -9.414 -10.644 5.285 1.00 0.00 O ATOM 196 CB GLU A 16 -6.250 -11.480 5.473 1.00 0.00 C ATOM 197 CG GLU A 16 -6.029 -10.432 6.550 1.00 0.00 C ATOM 198 CD GLU A 16 -6.393 -10.932 7.934 1.00 0.00 C ATOM 199 OE1 GLU A 16 -5.682 -11.818 8.451 1.00 0.00 O ATOM 200 OE2 GLU A 16 -7.390 -10.437 8.501 1.00 0.00 O ATOM 0 H GLU A 16 -6.596 -13.797 4.676 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.919 -12.198 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.453 -12.221 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.174 -11.005 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.984 -10.124 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.624 -9.548 6.319 1.00 0.00 H new ATOM 207 N VAL A 17 -8.669 -11.718 3.453 1.00 0.00 N ATOM 208 CA VAL A 17 -9.620 -11.074 2.555 1.00 0.00 C ATOM 209 C VAL A 17 -11.054 -11.293 3.024 1.00 0.00 C ATOM 210 O VAL A 17 -11.880 -10.382 2.973 1.00 0.00 O ATOM 211 CB VAL A 17 -9.477 -11.600 1.114 1.00 0.00 C ATOM 212 CG1 VAL A 17 -10.469 -10.909 0.192 1.00 0.00 C ATOM 213 CG2 VAL A 17 -8.052 -11.409 0.617 1.00 0.00 C ATOM 0 H VAL A 17 -8.040 -12.380 2.998 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.395 -10.008 2.569 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.699 -12.667 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.353 -11.294 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.484 -11.102 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.282 -9.835 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.969 -11.786 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.800 -10.349 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.365 -11.955 1.263 1.00 0.00 H new ATOM 223 N GLU A 18 -11.342 -12.507 3.481 1.00 0.00 N ATOM 224 CA GLU A 18 -12.678 -12.845 3.959 1.00 0.00 C ATOM 225 C GLU A 18 -13.138 -11.861 5.030 1.00 0.00 C ATOM 226 O GLU A 18 -14.303 -11.465 5.065 1.00 0.00 O ATOM 227 CB GLU A 18 -12.698 -14.270 4.518 1.00 0.00 C ATOM 228 CG GLU A 18 -12.361 -15.333 3.486 1.00 0.00 C ATOM 229 CD GLU A 18 -13.512 -15.611 2.538 1.00 0.00 C ATOM 230 OE1 GLU A 18 -14.643 -15.823 3.025 1.00 0.00 O ATOM 231 OE2 GLU A 18 -13.282 -15.617 1.311 1.00 0.00 O ATOM 0 H GLU A 18 -10.669 -13.272 3.531 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.365 -12.783 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.988 -14.338 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.686 -14.476 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.491 -15.014 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.085 -16.255 3.997 1.00 0.00 H new ATOM 238 N VAL A 19 -12.214 -11.469 5.902 1.00 0.00 N ATOM 239 CA VAL A 19 -12.524 -10.530 6.974 1.00 0.00 C ATOM 240 C VAL A 19 -12.415 -9.089 6.490 1.00 0.00 C ATOM 241 O VAL A 19 -13.081 -8.194 7.014 1.00 0.00 O ATOM 242 CB VAL A 19 -11.587 -10.728 8.180 1.00 0.00 C ATOM 243 CG1 VAL A 19 -10.154 -10.381 7.806 1.00 0.00 C ATOM 244 CG2 VAL A 19 -12.056 -9.891 9.361 1.00 0.00 C ATOM 0 H VAL A 19 -11.245 -11.787 5.887 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.550 -10.729 7.284 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.616 -11.778 8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.507 -10.527 8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.824 -11.027 6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.103 -9.340 7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.383 -10.043 10.205 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.057 -8.837 9.083 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -13.065 -10.193 9.643 1.00 0.00 H new ATOM 254 N LEU A 20 -11.572 -8.869 5.487 1.00 0.00 N ATOM 255 CA LEU A 20 -11.375 -7.535 4.931 1.00 0.00 C ATOM 256 C LEU A 20 -12.565 -7.123 4.070 1.00 0.00 C ATOM 257 O LEU A 20 -12.859 -5.937 3.927 1.00 0.00 O ATOM 258 CB LEU A 20 -10.091 -7.491 4.101 1.00 0.00 C ATOM 259 CG LEU A 20 -8.782 -7.617 4.882 1.00 0.00 C ATOM 260 CD1 LEU A 20 -7.600 -7.710 3.930 1.00 0.00 C ATOM 261 CD2 LEU A 20 -8.613 -6.440 5.832 1.00 0.00 C ATOM 0 H LEU A 20 -11.014 -9.598 5.042 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.289 -6.832 5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.130 -8.294 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.072 -6.552 3.548 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.819 -8.532 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.677 -7.799 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.716 -8.585 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.558 -6.813 3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.676 -6.546 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.597 -5.511 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.445 -6.419 6.536 1.00 0.00 H new ATOM 273 N GLU A 21 -13.247 -8.112 3.500 1.00 0.00 N ATOM 274 CA GLU A 21 -14.406 -7.851 2.655 1.00 0.00 C ATOM 275 C GLU A 21 -15.624 -7.484 3.499 1.00 0.00 C ATOM 276 O GLU A 21 -16.442 -6.655 3.100 1.00 0.00 O ATOM 277 CB GLU A 21 -14.721 -9.075 1.791 1.00 0.00 C ATOM 278 CG GLU A 21 -13.992 -9.082 0.458 1.00 0.00 C ATOM 279 CD GLU A 21 -14.709 -8.271 -0.603 1.00 0.00 C ATOM 280 OE1 GLU A 21 -15.708 -8.772 -1.160 1.00 0.00 O ATOM 281 OE2 GLU A 21 -14.271 -7.134 -0.877 1.00 0.00 O ATOM 0 H GLU A 21 -13.017 -9.100 3.608 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.168 -7.008 2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.459 -9.977 2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.795 -9.114 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.986 -8.685 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.884 -10.110 0.113 1.00 0.00 H new ATOM 288 N SER A 22 -15.737 -8.108 4.667 1.00 0.00 N ATOM 289 CA SER A 22 -16.856 -7.851 5.566 1.00 0.00 C ATOM 290 C SER A 22 -16.788 -6.433 6.126 1.00 0.00 C ATOM 291 O SER A 22 -17.815 -5.824 6.427 1.00 0.00 O ATOM 292 CB SER A 22 -16.860 -8.864 6.712 1.00 0.00 C ATOM 293 OG SER A 22 -18.177 -9.098 7.181 1.00 0.00 O ATOM 0 H SER A 22 -15.067 -8.795 5.013 1.00 0.00 H new ATOM 0 HA SER A 22 -17.779 -7.954 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.419 -9.802 6.374 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.240 -8.496 7.529 1.00 0.00 H new ATOM 0 HG SER A 22 -18.153 -9.750 7.912 1.00 0.00 H new ATOM 299 N ILE A 23 -15.572 -5.915 6.261 1.00 0.00 N ATOM 300 CA ILE A 23 -15.370 -4.569 6.784 1.00 0.00 C ATOM 301 C ILE A 23 -15.285 -3.548 5.654 1.00 0.00 C ATOM 302 O ILE A 23 -15.773 -2.425 5.780 1.00 0.00 O ATOM 303 CB ILE A 23 -14.091 -4.482 7.637 1.00 0.00 C ATOM 304 CG1 ILE A 23 -14.183 -5.434 8.831 1.00 0.00 C ATOM 305 CG2 ILE A 23 -13.863 -3.053 8.107 1.00 0.00 C ATOM 306 CD1 ILE A 23 -12.837 -5.918 9.324 1.00 0.00 C ATOM 0 H ILE A 23 -14.712 -6.406 6.016 1.00 0.00 H new ATOM 0 HA ILE A 23 -16.231 -4.342 7.412 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.241 -4.781 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.700 -4.930 9.648 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.790 -6.295 8.552 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.955 -3.008 8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.758 -2.398 7.242 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.713 -2.728 8.707 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.980 -6.589 10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.326 -6.450 8.522 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.235 -5.064 9.634 1.00 0.00 H new ATOM 318 N TYR A 24 -14.663 -3.947 4.550 1.00 0.00 N ATOM 319 CA TYR A 24 -14.513 -3.066 3.397 1.00 0.00 C ATOM 320 C TYR A 24 -15.205 -3.652 2.170 1.00 0.00 C ATOM 321 O TYR A 24 -14.654 -3.644 1.069 1.00 0.00 O ATOM 322 CB TYR A 24 -13.031 -2.832 3.097 1.00 0.00 C ATOM 323 CG TYR A 24 -12.206 -2.522 4.326 1.00 0.00 C ATOM 324 CD1 TYR A 24 -12.423 -1.361 5.058 1.00 0.00 C ATOM 325 CD2 TYR A 24 -11.211 -3.391 4.756 1.00 0.00 C ATOM 326 CE1 TYR A 24 -11.671 -1.073 6.180 1.00 0.00 C ATOM 327 CE2 TYR A 24 -10.455 -3.112 5.879 1.00 0.00 C ATOM 328 CZ TYR A 24 -10.689 -1.952 6.587 1.00 0.00 C ATOM 329 OH TYR A 24 -9.939 -1.670 7.706 1.00 0.00 O ATOM 0 H TYR A 24 -14.255 -4.874 4.429 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.984 -2.113 3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.623 -3.718 2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -12.938 -2.008 2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.193 -0.672 4.744 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.025 -4.300 4.203 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.851 -0.165 6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.686 -3.798 6.200 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.348 -2.426 7.903 1.00 0.00 H new ATOM 339 N LEU A 25 -16.416 -4.160 2.369 1.00 0.00 N ATOM 340 CA LEU A 25 -17.187 -4.750 1.280 1.00 0.00 C ATOM 341 C LEU A 25 -17.096 -3.892 0.022 1.00 0.00 C ATOM 342 O LEU A 25 -16.851 -4.401 -1.072 1.00 0.00 O ATOM 343 CB LEU A 25 -18.650 -4.915 1.695 1.00 0.00 C ATOM 344 CG LEU A 25 -19.183 -3.889 2.695 1.00 0.00 C ATOM 345 CD1 LEU A 25 -20.670 -3.652 2.475 1.00 0.00 C ATOM 346 CD2 LEU A 25 -18.920 -4.349 4.122 1.00 0.00 C ATOM 0 H LEU A 25 -16.886 -4.175 3.274 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.766 -5.731 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -19.268 -4.874 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -18.776 -5.909 2.123 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.658 -2.947 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.032 -2.919 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -20.833 -3.278 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -21.211 -4.589 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.306 -3.607 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -19.418 -5.303 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -17.847 -4.467 4.274 1.00 0.00 H new ATOM 358 N ASP A 26 -17.294 -2.589 0.186 1.00 0.00 N ATOM 359 CA ASP A 26 -17.232 -1.659 -0.936 1.00 0.00 C ATOM 360 C ASP A 26 -16.011 -0.751 -0.822 1.00 0.00 C ATOM 361 O ASP A 26 -15.282 -0.551 -1.793 1.00 0.00 O ATOM 362 CB ASP A 26 -18.506 -0.816 -0.999 1.00 0.00 C ATOM 363 CG ASP A 26 -19.590 -1.465 -1.836 1.00 0.00 C ATOM 364 OD1 ASP A 26 -20.204 -2.442 -1.359 1.00 0.00 O ATOM 365 OD2 ASP A 26 -19.824 -0.996 -2.970 1.00 0.00 O ATOM 0 H ASP A 26 -17.499 -2.152 1.085 1.00 0.00 H new ATOM 0 HA ASP A 26 -17.146 -2.241 -1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -18.880 -0.653 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.269 0.164 -1.413 1.00 0.00 H new ATOM 370 N GLU A 27 -15.796 -0.203 0.370 1.00 0.00 N ATOM 371 CA GLU A 27 -14.665 0.685 0.609 1.00 0.00 C ATOM 372 C GLU A 27 -13.404 0.156 -0.069 1.00 0.00 C ATOM 373 O GLU A 27 -12.500 0.921 -0.408 1.00 0.00 O ATOM 374 CB GLU A 27 -14.420 0.843 2.111 1.00 0.00 C ATOM 375 CG GLU A 27 -15.602 1.434 2.862 1.00 0.00 C ATOM 376 CD GLU A 27 -15.182 2.195 4.105 1.00 0.00 C ATOM 377 OE1 GLU A 27 -14.394 3.155 3.974 1.00 0.00 O ATOM 378 OE2 GLU A 27 -15.641 1.830 5.207 1.00 0.00 O ATOM 0 H GLU A 27 -16.390 -0.358 1.184 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.905 1.659 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.181 -0.132 2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.548 1.480 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.151 2.103 2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.285 0.633 3.144 1.00 0.00 H new ATOM 385 N LEU A 28 -13.352 -1.157 -0.265 1.00 0.00 N ATOM 386 CA LEU A 28 -12.203 -1.790 -0.902 1.00 0.00 C ATOM 387 C LEU A 28 -12.651 -2.779 -1.973 1.00 0.00 C ATOM 388 O LEU A 28 -13.761 -3.307 -1.918 1.00 0.00 O ATOM 389 CB LEU A 28 -11.345 -2.506 0.142 1.00 0.00 C ATOM 390 CG LEU A 28 -10.450 -3.630 -0.380 1.00 0.00 C ATOM 391 CD1 LEU A 28 -9.202 -3.763 0.480 1.00 0.00 C ATOM 392 CD2 LEU A 28 -11.214 -4.946 -0.420 1.00 0.00 C ATOM 0 H LEU A 28 -14.092 -1.804 0.008 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.608 -1.010 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.714 -1.766 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.006 -2.919 0.904 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.142 -3.380 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.577 -4.568 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.643 -2.827 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.490 -3.989 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.561 -5.735 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.552 -5.201 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.077 -4.846 -1.079 1.00 0.00 H new ATOM 404 N GLN A 29 -11.779 -3.027 -2.945 1.00 0.00 N ATOM 405 CA GLN A 29 -12.085 -3.954 -4.028 1.00 0.00 C ATOM 406 C GLN A 29 -11.071 -5.093 -4.072 1.00 0.00 C ATOM 407 O GLN A 29 -9.874 -4.880 -3.879 1.00 0.00 O ATOM 408 CB GLN A 29 -12.102 -3.218 -5.369 1.00 0.00 C ATOM 409 CG GLN A 29 -13.465 -2.656 -5.737 1.00 0.00 C ATOM 410 CD GLN A 29 -13.390 -1.613 -6.835 1.00 0.00 C ATOM 411 OE1 GLN A 29 -12.570 -1.715 -7.748 1.00 0.00 O ATOM 412 NE2 GLN A 29 -14.247 -0.603 -6.752 1.00 0.00 N ATOM 0 H GLN A 29 -10.855 -2.599 -3.005 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.072 -4.377 -3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.379 -2.403 -5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.776 -3.901 -6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.115 -3.470 -6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.922 -2.214 -4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.910 -0.559 -5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.243 0.129 -7.463 1.00 0.00 H new ATOM 421 N VAL A 30 -11.559 -6.303 -4.328 1.00 0.00 N ATOM 422 CA VAL A 30 -10.696 -7.476 -4.399 1.00 0.00 C ATOM 423 C VAL A 30 -10.841 -8.185 -5.740 1.00 0.00 C ATOM 424 O VAL A 30 -11.951 -8.505 -6.167 1.00 0.00 O ATOM 425 CB VAL A 30 -11.009 -8.472 -3.267 1.00 0.00 C ATOM 426 CG1 VAL A 30 -10.140 -9.714 -3.393 1.00 0.00 C ATOM 427 CG2 VAL A 30 -10.817 -7.813 -1.909 1.00 0.00 C ATOM 0 H VAL A 30 -12.547 -6.496 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.671 -7.122 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.052 -8.777 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.375 -10.406 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.332 -10.197 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.089 -9.430 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.043 -8.531 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.785 -7.478 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.486 -6.957 -1.822 1.00 0.00 H new ATOM 437 N ILE A 31 -9.714 -8.430 -6.400 1.00 0.00 N ATOM 438 CA ILE A 31 -9.716 -9.103 -7.692 1.00 0.00 C ATOM 439 C ILE A 31 -8.998 -10.446 -7.613 1.00 0.00 C ATOM 440 O ILE A 31 -8.050 -10.612 -6.846 1.00 0.00 O ATOM 441 CB ILE A 31 -9.048 -8.240 -8.779 1.00 0.00 C ATOM 442 CG1 ILE A 31 -9.664 -6.839 -8.798 1.00 0.00 C ATOM 443 CG2 ILE A 31 -9.185 -8.903 -10.141 1.00 0.00 C ATOM 444 CD1 ILE A 31 -11.074 -6.806 -9.345 1.00 0.00 C ATOM 0 H ILE A 31 -8.787 -8.172 -6.060 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.760 -9.266 -7.960 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.987 -8.147 -8.547 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -9.667 -6.438 -7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.035 -6.182 -9.399 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.708 -8.281 -10.898 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -8.704 -9.881 -10.120 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -10.241 -9.023 -10.383 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.447 -5.782 -9.329 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -11.075 -7.176 -10.370 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -11.717 -7.436 -8.731 1.00 0.00 H new ATOM 555 N PRO A 39 -2.332 -13.844 -9.676 1.00 0.00 N ATOM 556 CA PRO A 39 -2.154 -13.023 -8.475 1.00 0.00 C ATOM 557 C PRO A 39 -3.458 -12.381 -8.013 1.00 0.00 C ATOM 558 O PRO A 39 -4.458 -12.399 -8.731 1.00 0.00 O ATOM 559 CB PRO A 39 -1.158 -11.950 -8.922 1.00 0.00 C ATOM 560 CG PRO A 39 -1.341 -11.856 -10.398 1.00 0.00 C ATOM 561 CD PRO A 39 -1.697 -13.241 -10.861 1.00 0.00 C ATOM 0 HA PRO A 39 -1.812 -13.613 -7.625 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.360 -10.995 -8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.135 -12.228 -8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.129 -11.146 -10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.430 -11.505 -10.882 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.376 -13.218 -11.713 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.815 -13.800 -11.172 1.00 0.00 H new ATOM 569 N TRP A 40 -3.439 -11.814 -6.812 1.00 0.00 N ATOM 570 CA TRP A 40 -4.621 -11.166 -6.255 1.00 0.00 C ATOM 571 C TRP A 40 -4.396 -9.666 -6.100 1.00 0.00 C ATOM 572 O TRP A 40 -3.536 -9.235 -5.333 1.00 0.00 O ATOM 573 CB TRP A 40 -4.977 -11.783 -4.902 1.00 0.00 C ATOM 574 CG TRP A 40 -5.622 -13.132 -5.016 1.00 0.00 C ATOM 575 CD1 TRP A 40 -5.378 -14.079 -5.970 1.00 0.00 C ATOM 576 CD2 TRP A 40 -6.617 -13.682 -4.147 1.00 0.00 C ATOM 577 NE1 TRP A 40 -6.162 -15.184 -5.745 1.00 0.00 N ATOM 578 CE2 TRP A 40 -6.931 -14.967 -4.633 1.00 0.00 C ATOM 579 CE3 TRP A 40 -7.273 -13.216 -3.004 1.00 0.00 C ATOM 580 CZ2 TRP A 40 -7.871 -15.787 -4.015 1.00 0.00 C ATOM 581 CZ3 TRP A 40 -8.206 -14.031 -2.392 1.00 0.00 C ATOM 582 CH2 TRP A 40 -8.498 -15.305 -2.898 1.00 0.00 C ATOM 0 H TRP A 40 -2.619 -11.790 -6.206 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.450 -11.321 -6.946 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.072 -11.870 -4.301 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.649 -11.110 -4.369 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.673 -13.974 -6.781 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.170 -16.030 -6.315 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.054 -12.236 -2.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -8.098 -16.769 -4.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.719 -13.680 -1.509 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -9.232 -15.918 -2.397 1.00 0.00 H new ATOM 593 N GLU A 41 -5.175 -8.875 -6.832 1.00 0.00 N ATOM 594 CA GLU A 41 -5.059 -7.423 -6.774 1.00 0.00 C ATOM 595 C GLU A 41 -6.152 -6.824 -5.894 1.00 0.00 C ATOM 596 O GLU A 41 -7.305 -7.255 -5.939 1.00 0.00 O ATOM 597 CB GLU A 41 -5.138 -6.827 -8.181 1.00 0.00 C ATOM 598 CG GLU A 41 -4.601 -5.408 -8.272 1.00 0.00 C ATOM 599 CD GLU A 41 -3.092 -5.364 -8.413 1.00 0.00 C ATOM 600 OE1 GLU A 41 -2.597 -5.549 -9.545 1.00 0.00 O ATOM 601 OE2 GLU A 41 -2.406 -5.144 -7.394 1.00 0.00 O ATOM 0 H GLU A 41 -5.893 -9.216 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.091 -7.179 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.579 -7.463 -8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.176 -6.836 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.057 -4.905 -9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.895 -4.854 -7.381 1.00 0.00 H new ATOM 608 N ILE A 42 -5.782 -5.830 -5.095 1.00 0.00 N ATOM 609 CA ILE A 42 -6.730 -5.172 -4.205 1.00 0.00 C ATOM 610 C ILE A 42 -6.482 -3.668 -4.152 1.00 0.00 C ATOM 611 O ILE A 42 -5.338 -3.220 -4.069 1.00 0.00 O ATOM 612 CB ILE A 42 -6.653 -5.744 -2.777 1.00 0.00 C ATOM 613 CG1 ILE A 42 -6.977 -7.240 -2.786 1.00 0.00 C ATOM 614 CG2 ILE A 42 -7.604 -4.996 -1.855 1.00 0.00 C ATOM 615 CD1 ILE A 42 -6.501 -7.968 -1.549 1.00 0.00 C ATOM 0 H ILE A 42 -4.832 -5.462 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.724 -5.360 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.638 -5.613 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.055 -7.370 -2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.522 -7.697 -3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.538 -5.412 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.332 -3.941 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.624 -5.099 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.764 -9.023 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.419 -7.869 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.976 -7.537 -0.668 1.00 0.00 H new ATOM 627 N TYR A 43 -7.560 -2.894 -4.198 1.00 0.00 N ATOM 628 CA TYR A 43 -7.460 -1.440 -4.156 1.00 0.00 C ATOM 629 C TYR A 43 -8.265 -0.872 -2.991 1.00 0.00 C ATOM 630 O TYR A 43 -9.022 -1.590 -2.337 1.00 0.00 O ATOM 631 CB TYR A 43 -7.950 -0.835 -5.472 1.00 0.00 C ATOM 632 CG TYR A 43 -7.725 -1.730 -6.670 1.00 0.00 C ATOM 633 CD1 TYR A 43 -8.683 -2.658 -7.058 1.00 0.00 C ATOM 634 CD2 TYR A 43 -6.554 -1.648 -7.414 1.00 0.00 C ATOM 635 CE1 TYR A 43 -8.482 -3.479 -8.151 1.00 0.00 C ATOM 636 CE2 TYR A 43 -6.346 -2.463 -8.510 1.00 0.00 C ATOM 637 CZ TYR A 43 -7.312 -3.377 -8.874 1.00 0.00 C ATOM 638 OH TYR A 43 -7.107 -4.191 -9.964 1.00 0.00 O ATOM 0 H TYR A 43 -8.514 -3.249 -4.264 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.412 -1.178 -4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.014 -0.616 -5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.441 0.115 -5.638 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.601 -2.739 -6.495 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.794 -0.935 -7.131 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.237 -4.196 -8.437 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.431 -2.385 -9.079 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.364 -3.841 -10.499 1.00 0.00 H new ATOM 648 N ILE A 44 -8.097 0.422 -2.739 1.00 0.00 N ATOM 649 CA ILE A 44 -8.809 1.088 -1.656 1.00 0.00 C ATOM 650 C ILE A 44 -8.617 2.599 -1.719 1.00 0.00 C ATOM 651 O ILE A 44 -7.700 3.093 -2.375 1.00 0.00 O ATOM 652 CB ILE A 44 -8.341 0.579 -0.279 1.00 0.00 C ATOM 653 CG1 ILE A 44 -9.251 1.121 0.825 1.00 0.00 C ATOM 654 CG2 ILE A 44 -6.896 0.984 -0.028 1.00 0.00 C ATOM 655 CD1 ILE A 44 -9.080 0.414 2.151 1.00 0.00 C ATOM 0 H ILE A 44 -7.474 1.030 -3.271 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.866 0.853 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.400 -0.509 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.050 2.184 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.289 1.031 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.580 0.617 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.258 0.555 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.813 2.071 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.756 0.851 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.309 -0.645 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.051 0.526 2.493 1.00 0.00 H new ATOM 667 N THR A 45 -9.489 3.330 -1.031 1.00 0.00 N ATOM 668 CA THR A 45 -9.416 4.785 -1.008 1.00 0.00 C ATOM 669 C THR A 45 -8.935 5.291 0.348 1.00 0.00 C ATOM 670 O THR A 45 -9.239 4.700 1.385 1.00 0.00 O ATOM 671 CB THR A 45 -10.783 5.421 -1.324 1.00 0.00 C ATOM 672 OG1 THR A 45 -11.178 5.093 -2.661 1.00 0.00 O ATOM 673 CG2 THR A 45 -10.727 6.933 -1.164 1.00 0.00 C ATOM 0 H THR A 45 -10.254 2.937 -0.482 1.00 0.00 H new ATOM 0 HA THR A 45 -8.700 5.077 -1.777 1.00 0.00 H new ATOM 0 HB THR A 45 -11.515 5.024 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.049 5.499 -2.854 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.704 7.359 -1.392 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.454 7.180 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.983 7.344 -1.847 1.00 0.00 H new ATOM 681 N LEU A 46 -8.184 6.386 0.333 1.00 0.00 N ATOM 682 CA LEU A 46 -7.661 6.972 1.562 1.00 0.00 C ATOM 683 C LEU A 46 -8.143 8.410 1.728 1.00 0.00 C ATOM 684 O LEU A 46 -8.148 9.188 0.773 1.00 0.00 O ATOM 685 CB LEU A 46 -6.132 6.931 1.560 1.00 0.00 C ATOM 686 CG LEU A 46 -5.493 5.682 2.168 1.00 0.00 C ATOM 687 CD1 LEU A 46 -5.850 5.563 3.641 1.00 0.00 C ATOM 688 CD2 LEU A 46 -5.930 4.437 1.409 1.00 0.00 C ATOM 0 H LEU A 46 -7.923 6.886 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.032 6.385 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.787 7.026 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.764 7.803 2.101 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.410 5.773 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.386 4.668 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.487 6.441 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.932 5.494 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.466 3.557 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.015 4.341 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.623 4.520 0.366 1.00 0.00 H new ATOM 700 N HIS A 47 -8.544 8.757 2.946 1.00 0.00 N ATOM 701 CA HIS A 47 -9.025 10.103 3.238 1.00 0.00 C ATOM 702 C HIS A 47 -8.543 10.567 4.609 1.00 0.00 C ATOM 703 O HIS A 47 -8.406 9.779 5.546 1.00 0.00 O ATOM 704 CB HIS A 47 -10.552 10.146 3.180 1.00 0.00 C ATOM 705 CG HIS A 47 -11.092 10.446 1.816 1.00 0.00 C ATOM 706 ND1 HIS A 47 -10.927 9.801 0.637 1.00 0.00 N flip ATOM 707 CD2 HIS A 47 -11.907 11.525 1.549 1.00 0.00 C flip ATOM 708 CE1 HIS A 47 -11.639 10.494 -0.310 1.00 0.00 C flip ATOM 709 NE2 HIS A 47 -12.222 11.530 0.266 1.00 0.00 N flip ATOM 0 H HIS A 47 -8.546 8.125 3.747 1.00 0.00 H new ATOM 0 HA HIS A 47 -8.621 10.778 2.483 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.947 9.187 3.515 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.913 10.901 3.879 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.237 12.253 2.275 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.711 10.234 -1.356 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.815 12.217 -0.200 1.00 0.00 H new ATOM 718 N PRO A 48 -8.278 11.876 4.733 1.00 0.00 N ATOM 719 CA PRO A 48 -7.806 12.474 5.986 1.00 0.00 C ATOM 720 C PRO A 48 -8.887 12.491 7.062 1.00 0.00 C ATOM 721 O PRO A 48 -10.078 12.543 6.758 1.00 0.00 O ATOM 722 CB PRO A 48 -7.434 13.902 5.579 1.00 0.00 C ATOM 723 CG PRO A 48 -8.270 14.185 4.380 1.00 0.00 C ATOM 724 CD PRO A 48 -8.418 12.874 3.659 1.00 0.00 C ATOM 0 HA PRO A 48 -6.980 11.912 6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.642 14.609 6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.372 13.984 5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.243 14.584 4.668 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.796 14.930 3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.385 12.796 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.654 12.749 2.892 1.00 0.00 H new ATOM 871 N VAL A 59 -8.010 15.785 -2.170 1.00 0.00 N ATOM 872 CA VAL A 59 -6.825 15.066 -1.719 1.00 0.00 C ATOM 873 C VAL A 59 -7.146 13.603 -1.433 1.00 0.00 C ATOM 874 O VAL A 59 -7.824 13.286 -0.455 1.00 0.00 O ATOM 875 CB VAL A 59 -6.227 15.706 -0.452 1.00 0.00 C ATOM 876 CG1 VAL A 59 -7.144 15.485 0.741 1.00 0.00 C ATOM 877 CG2 VAL A 59 -4.838 15.150 -0.179 1.00 0.00 C ATOM 0 HA VAL A 59 -6.094 15.124 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.137 16.780 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.705 15.944 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.116 15.937 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.269 14.416 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.431 15.613 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.900 14.071 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.187 15.366 -1.026 1.00 0.00 H new ATOM 887 N CYS A 60 -6.653 12.717 -2.291 1.00 0.00 N ATOM 888 CA CYS A 60 -6.888 11.286 -2.130 1.00 0.00 C ATOM 889 C CYS A 60 -5.964 10.479 -3.037 1.00 0.00 C ATOM 890 O CYS A 60 -5.538 10.955 -4.089 1.00 0.00 O ATOM 891 CB CYS A 60 -8.347 10.949 -2.439 1.00 0.00 C ATOM 892 SG CYS A 60 -8.661 9.186 -2.689 1.00 0.00 S ATOM 0 H CYS A 60 -6.089 12.963 -3.104 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.674 11.022 -1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -8.972 11.306 -1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.652 11.492 -3.334 1.00 0.00 H new ATOM 0 HG CYS A 60 -8.335 8.531 -1.615 1.00 0.00 H new ATOM 898 N PHE A 61 -5.658 9.254 -2.621 1.00 0.00 N ATOM 899 CA PHE A 61 -4.782 8.381 -3.395 1.00 0.00 C ATOM 900 C PHE A 61 -5.232 6.927 -3.288 1.00 0.00 C ATOM 901 O PHE A 61 -5.209 6.335 -2.209 1.00 0.00 O ATOM 902 CB PHE A 61 -3.337 8.516 -2.912 1.00 0.00 C ATOM 903 CG PHE A 61 -3.078 7.835 -1.598 1.00 0.00 C ATOM 904 CD1 PHE A 61 -3.307 8.497 -0.403 1.00 0.00 C ATOM 905 CD2 PHE A 61 -2.605 6.533 -1.559 1.00 0.00 C ATOM 906 CE1 PHE A 61 -3.069 7.873 0.807 1.00 0.00 C ATOM 907 CE2 PHE A 61 -2.365 5.904 -0.352 1.00 0.00 C ATOM 908 CZ PHE A 61 -2.599 6.575 0.833 1.00 0.00 C ATOM 0 H PHE A 61 -6.003 8.844 -1.753 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.838 8.685 -4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.670 8.099 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.091 9.574 -2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.676 9.512 -0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.422 6.004 -2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.251 8.400 1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.995 4.889 -0.335 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.415 6.085 1.778 1.00 0.00 H new ATOM 918 N THR A 62 -5.643 6.357 -4.417 1.00 0.00 N ATOM 919 CA THR A 62 -6.100 4.974 -4.452 1.00 0.00 C ATOM 920 C THR A 62 -4.940 4.006 -4.250 1.00 0.00 C ATOM 921 O THR A 62 -4.279 3.604 -5.208 1.00 0.00 O ATOM 922 CB THR A 62 -6.800 4.647 -5.785 1.00 0.00 C ATOM 923 OG1 THR A 62 -8.006 5.411 -5.905 1.00 0.00 O ATOM 924 CG2 THR A 62 -7.123 3.163 -5.877 1.00 0.00 C ATOM 0 H THR A 62 -5.668 6.833 -5.319 1.00 0.00 H new ATOM 0 HA THR A 62 -6.814 4.857 -3.637 1.00 0.00 H new ATOM 0 HB THR A 62 -6.123 4.906 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.444 5.199 -6.755 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.617 2.956 -6.827 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.201 2.585 -5.814 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.783 2.883 -5.056 1.00 0.00 H new ATOM 932 N LEU A 63 -4.698 3.634 -2.998 1.00 0.00 N ATOM 933 CA LEU A 63 -3.617 2.711 -2.669 1.00 0.00 C ATOM 934 C LEU A 63 -3.857 1.344 -3.301 1.00 0.00 C ATOM 935 O LEU A 63 -4.868 0.694 -3.034 1.00 0.00 O ATOM 936 CB LEU A 63 -3.485 2.568 -1.152 1.00 0.00 C ATOM 937 CG LEU A 63 -2.259 1.801 -0.654 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.539 0.307 -0.627 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.050 2.103 -1.527 1.00 0.00 C ATOM 0 H LEU A 63 -5.236 3.957 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.690 3.119 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.467 3.566 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.378 2.070 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.039 2.127 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.656 -0.222 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.377 0.106 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.786 -0.035 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.187 1.549 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.260 1.806 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.836 3.171 -1.495 1.00 0.00 H new ATOM 951 N VAL A 64 -2.920 0.912 -4.140 1.00 0.00 N ATOM 952 CA VAL A 64 -3.028 -0.379 -4.808 1.00 0.00 C ATOM 953 C VAL A 64 -2.268 -1.458 -4.044 1.00 0.00 C ATOM 954 O VAL A 64 -1.217 -1.196 -3.458 1.00 0.00 O ATOM 955 CB VAL A 64 -2.491 -0.312 -6.250 1.00 0.00 C ATOM 956 CG1 VAL A 64 -2.585 -1.675 -6.919 1.00 0.00 C ATOM 957 CG2 VAL A 64 -3.246 0.738 -7.051 1.00 0.00 C ATOM 0 H VAL A 64 -2.078 1.438 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.087 -0.634 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.441 -0.023 -6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.201 -1.608 -7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.995 -2.398 -6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.626 -1.997 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.854 0.772 -8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.305 0.482 -7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.121 1.714 -6.581 1.00 0.00 H new ATOM 967 N LEU A 65 -2.806 -2.673 -4.055 1.00 0.00 N ATOM 968 CA LEU A 65 -2.179 -3.793 -3.363 1.00 0.00 C ATOM 969 C LEU A 65 -2.120 -5.024 -4.262 1.00 0.00 C ATOM 970 O LEU A 65 -3.123 -5.710 -4.456 1.00 0.00 O ATOM 971 CB LEU A 65 -2.946 -4.121 -2.081 1.00 0.00 C ATOM 972 CG LEU A 65 -2.661 -3.219 -0.879 1.00 0.00 C ATOM 973 CD1 LEU A 65 -3.749 -3.372 0.172 1.00 0.00 C ATOM 974 CD2 LEU A 65 -1.296 -3.534 -0.287 1.00 0.00 C ATOM 0 H LEU A 65 -3.675 -2.907 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.160 -3.504 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.013 -4.077 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.721 -5.150 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.656 -2.183 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.530 -2.723 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.712 -3.095 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.787 -4.408 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.111 -2.882 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.272 -4.574 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.526 -3.371 -1.041 1.00 0.00 H new ATOM 986 N GLN A 66 -0.938 -5.297 -4.806 1.00 0.00 N ATOM 987 CA GLN A 66 -0.749 -6.446 -5.683 1.00 0.00 C ATOM 988 C GLN A 66 -0.134 -7.616 -4.923 1.00 0.00 C ATOM 989 O GLN A 66 1.073 -7.650 -4.685 1.00 0.00 O ATOM 990 CB GLN A 66 0.141 -6.069 -6.869 1.00 0.00 C ATOM 991 CG GLN A 66 -0.009 -6.997 -8.063 1.00 0.00 C ATOM 992 CD GLN A 66 1.214 -6.999 -8.958 1.00 0.00 C ATOM 993 OE1 GLN A 66 2.064 -6.113 -8.869 1.00 0.00 O ATOM 994 NE2 GLN A 66 1.310 -7.998 -9.828 1.00 0.00 N ATOM 0 H GLN A 66 -0.098 -4.739 -4.655 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.727 -6.752 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.094 -5.051 -7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.182 -6.072 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.197 -8.011 -7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.880 -6.696 -8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.582 -8.711 -9.868 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.112 -8.052 -10.456 1.00 0.00 H new ATOM 1003 N VAL A 67 -0.972 -8.575 -4.543 1.00 0.00 N ATOM 1004 CA VAL A 67 -0.511 -9.748 -3.810 1.00 0.00 C ATOM 1005 C VAL A 67 -0.098 -10.864 -4.763 1.00 0.00 C ATOM 1006 O VAL A 67 -0.929 -11.501 -5.411 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.599 -10.278 -2.857 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -1.136 -11.556 -2.175 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.969 -9.219 -1.830 1.00 0.00 C ATOM 0 H VAL A 67 -1.974 -8.563 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 67 0.354 -9.436 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.489 -10.510 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.918 -11.915 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.926 -12.315 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.231 -11.355 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.739 -9.610 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.087 -8.953 -1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.347 -8.333 -2.341 1.00 0.00 H new ATOM 1019 N PRO A 68 1.218 -11.110 -4.851 1.00 0.00 N ATOM 1020 CA PRO A 68 1.772 -12.151 -5.721 1.00 0.00 C ATOM 1021 C PRO A 68 1.444 -13.555 -5.227 1.00 0.00 C ATOM 1022 O PRO A 68 0.751 -13.724 -4.224 1.00 0.00 O ATOM 1023 CB PRO A 68 3.281 -11.900 -5.657 1.00 0.00 C ATOM 1024 CG PRO A 68 3.497 -11.218 -4.351 1.00 0.00 C ATOM 1025 CD PRO A 68 2.266 -10.390 -4.108 1.00 0.00 C ATOM 0 HA PRO A 68 1.360 -12.102 -6.729 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.840 -12.834 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.614 -11.278 -6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.643 -11.944 -3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.389 -10.592 -4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.031 -10.322 -3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.389 -9.370 -4.473 1.00 0.00 H new ATOM 1033 N ALA A 69 1.948 -14.560 -5.936 1.00 0.00 N ATOM 1034 CA ALA A 69 1.710 -15.950 -5.567 1.00 0.00 C ATOM 1035 C ALA A 69 2.581 -16.361 -4.384 1.00 0.00 C ATOM 1036 O ALA A 69 2.280 -17.329 -3.687 1.00 0.00 O ATOM 1037 CB ALA A 69 1.966 -16.863 -6.756 1.00 0.00 C ATOM 0 H ALA A 69 2.524 -14.437 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 69 0.667 -16.047 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.784 -17.898 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.297 -16.593 -7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.000 -16.754 -7.082 1.00 0.00 H new ATOM 1043 N GLU A 70 3.662 -15.619 -4.165 1.00 0.00 N ATOM 1044 CA GLU A 70 4.577 -15.908 -3.068 1.00 0.00 C ATOM 1045 C GLU A 70 3.985 -15.462 -1.734 1.00 0.00 C ATOM 1046 O GLU A 70 4.101 -16.160 -0.726 1.00 0.00 O ATOM 1047 CB GLU A 70 5.922 -15.216 -3.299 1.00 0.00 C ATOM 1048 CG GLU A 70 6.852 -15.985 -4.221 1.00 0.00 C ATOM 1049 CD GLU A 70 6.646 -15.635 -5.682 1.00 0.00 C ATOM 1050 OE1 GLU A 70 6.530 -14.431 -5.992 1.00 0.00 O ATOM 1051 OE2 GLU A 70 6.601 -16.564 -6.515 1.00 0.00 O ATOM 0 H GLU A 70 3.925 -14.814 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 70 4.733 -16.986 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.744 -14.226 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.416 -15.070 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.886 -15.777 -3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.693 -17.054 -4.082 1.00 0.00 H new ATOM 1058 N TYR A 71 3.351 -14.295 -1.736 1.00 0.00 N ATOM 1059 CA TYR A 71 2.744 -13.753 -0.526 1.00 0.00 C ATOM 1060 C TYR A 71 2.204 -14.871 0.360 1.00 0.00 C ATOM 1061 O TYR A 71 1.648 -15.862 -0.115 1.00 0.00 O ATOM 1062 CB TYR A 71 1.617 -12.784 -0.887 1.00 0.00 C ATOM 1063 CG TYR A 71 0.865 -12.255 0.314 1.00 0.00 C ATOM 1064 CD1 TYR A 71 0.103 -13.102 1.109 1.00 0.00 C ATOM 1065 CD2 TYR A 71 0.919 -10.909 0.655 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -0.586 -12.623 2.207 1.00 0.00 C ATOM 1067 CE2 TYR A 71 0.235 -10.422 1.751 1.00 0.00 C ATOM 1068 CZ TYR A 71 -0.517 -11.282 2.524 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.200 -10.802 3.617 1.00 0.00 O ATOM 0 H TYR A 71 3.244 -13.706 -2.562 1.00 0.00 H new ATOM 0 HA TYR A 71 3.514 -13.215 0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.035 -11.944 -1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.915 -13.288 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.048 -14.153 0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.506 -10.232 0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.175 -13.295 2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.288 -9.373 2.002 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.678 -11.538 4.053 1.00 0.00 H new ATOM 1079 N PRO A 72 2.369 -14.710 1.681 1.00 0.00 N ATOM 1080 CA PRO A 72 3.029 -13.535 2.259 1.00 0.00 C ATOM 1081 C PRO A 72 4.526 -13.510 1.969 1.00 0.00 C ATOM 1082 O PRO A 72 5.141 -12.445 1.915 1.00 0.00 O ATOM 1083 CB PRO A 72 2.778 -13.690 3.761 1.00 0.00 C ATOM 1084 CG PRO A 72 2.587 -15.153 3.964 1.00 0.00 C ATOM 1085 CD PRO A 72 1.926 -15.662 2.713 1.00 0.00 C ATOM 0 HA PRO A 72 2.643 -12.605 1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.620 -13.316 4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.898 -13.128 4.075 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.542 -15.652 4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.968 -15.348 4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.237 -16.680 2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.840 -15.674 2.809 1.00 0.00 H new ATOM 1093 N HIS A 73 5.108 -14.691 1.782 1.00 0.00 N ATOM 1094 CA HIS A 73 6.534 -14.804 1.497 1.00 0.00 C ATOM 1095 C HIS A 73 7.029 -13.591 0.716 1.00 0.00 C ATOM 1096 O HIS A 73 8.135 -13.103 0.946 1.00 0.00 O ATOM 1097 CB HIS A 73 6.818 -16.083 0.708 1.00 0.00 C ATOM 1098 CG HIS A 73 6.241 -17.314 1.336 1.00 0.00 C ATOM 1099 ND1 HIS A 73 5.314 -18.189 0.881 1.00 0.00 N flip ATOM 1100 CD2 HIS A 73 6.612 -17.766 2.585 1.00 0.00 C flip ATOM 1101 CE1 HIS A 73 5.144 -19.144 1.853 1.00 0.00 C flip ATOM 1102 NE2 HIS A 73 5.939 -18.866 2.870 1.00 0.00 N flip ATOM 0 H HIS A 73 4.614 -15.583 1.823 1.00 0.00 H new ATOM 0 HA HIS A 73 7.067 -14.846 2.447 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.415 -15.976 -0.299 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.896 -16.207 0.609 1.00 0.00 H new ATOM 0 HD1 HIS A 73 4.832 -18.147 -0.017 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.339 -17.294 3.229 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.470 -19.986 1.795 1.00 0.00 H new ATOM 1111 N GLU A 74 6.204 -13.110 -0.208 1.00 0.00 N ATOM 1112 CA GLU A 74 6.560 -11.954 -1.023 1.00 0.00 C ATOM 1113 C GLU A 74 5.634 -10.777 -0.733 1.00 0.00 C ATOM 1114 O GLU A 74 4.411 -10.907 -0.784 1.00 0.00 O ATOM 1115 CB GLU A 74 6.497 -12.312 -2.510 1.00 0.00 C ATOM 1116 CG GLU A 74 7.026 -11.218 -3.422 1.00 0.00 C ATOM 1117 CD GLU A 74 8.512 -11.353 -3.693 1.00 0.00 C ATOM 1118 OE1 GLU A 74 8.907 -12.324 -4.372 1.00 0.00 O ATOM 1119 OE2 GLU A 74 9.281 -10.486 -3.226 1.00 0.00 O ATOM 0 H GLU A 74 5.285 -13.502 -0.411 1.00 0.00 H new ATOM 0 HA GLU A 74 7.579 -11.663 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.070 -13.224 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.463 -12.530 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.484 -11.245 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.830 -10.246 -2.969 1.00 0.00 H new ATOM 1126 N VAL A 75 6.226 -9.627 -0.427 1.00 0.00 N ATOM 1127 CA VAL A 75 5.456 -8.426 -0.129 1.00 0.00 C ATOM 1128 C VAL A 75 4.674 -7.957 -1.350 1.00 0.00 C ATOM 1129 O VAL A 75 5.154 -8.007 -2.483 1.00 0.00 O ATOM 1130 CB VAL A 75 6.366 -7.281 0.355 1.00 0.00 C ATOM 1131 CG1 VAL A 75 7.186 -7.723 1.557 1.00 0.00 C ATOM 1132 CG2 VAL A 75 7.270 -6.807 -0.772 1.00 0.00 C ATOM 0 H VAL A 75 7.237 -9.502 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 75 4.759 -8.687 0.667 1.00 0.00 H new ATOM 0 HB VAL A 75 5.737 -6.445 0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.823 -6.901 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.517 -8.010 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.807 -8.575 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.906 -5.998 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.893 -7.635 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.660 -6.448 -1.601 1.00 0.00 H new ATOM 1142 N PRO A 76 3.438 -7.489 -1.118 1.00 0.00 N ATOM 1143 CA PRO A 76 2.563 -7.000 -2.188 1.00 0.00 C ATOM 1144 C PRO A 76 3.055 -5.686 -2.784 1.00 0.00 C ATOM 1145 O PRO A 76 3.295 -4.718 -2.063 1.00 0.00 O ATOM 1146 CB PRO A 76 1.220 -6.798 -1.482 1.00 0.00 C ATOM 1147 CG PRO A 76 1.573 -6.572 -0.053 1.00 0.00 C ATOM 1148 CD PRO A 76 2.801 -7.400 0.206 1.00 0.00 C ATOM 0 HA PRO A 76 2.519 -7.693 -3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.680 -5.947 -1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.577 -7.670 -1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.766 -5.517 0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 76 0.755 -6.871 0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 76 3.457 -6.928 0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 76 2.546 -8.385 0.596 1.00 0.00 H new ATOM 1156 N GLN A 77 3.201 -5.659 -4.105 1.00 0.00 N ATOM 1157 CA GLN A 77 3.665 -4.462 -4.797 1.00 0.00 C ATOM 1158 C GLN A 77 2.707 -3.297 -4.571 1.00 0.00 C ATOM 1159 O GLN A 77 1.639 -3.231 -5.180 1.00 0.00 O ATOM 1160 CB GLN A 77 3.807 -4.737 -6.295 1.00 0.00 C ATOM 1161 CG GLN A 77 5.186 -5.235 -6.695 1.00 0.00 C ATOM 1162 CD GLN A 77 6.132 -4.107 -7.056 1.00 0.00 C ATOM 1163 OE1 GLN A 77 5.739 -2.941 -7.097 1.00 0.00 O ATOM 1164 NE2 GLN A 77 7.388 -4.449 -7.321 1.00 0.00 N ATOM 0 H GLN A 77 3.005 -6.451 -4.717 1.00 0.00 H new ATOM 0 HA GLN A 77 4.639 -4.192 -4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.063 -5.476 -6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.586 -3.823 -6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.612 -5.812 -5.874 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.092 -5.911 -7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.671 -5.428 -7.275 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.070 -3.733 -7.570 1.00 0.00 H new ATOM 1173 N ILE A 78 3.096 -2.380 -3.691 1.00 0.00 N ATOM 1174 CA ILE A 78 2.273 -1.218 -3.384 1.00 0.00 C ATOM 1175 C ILE A 78 2.518 -0.092 -4.383 1.00 0.00 C ATOM 1176 O ILE A 78 3.648 0.367 -4.551 1.00 0.00 O ATOM 1177 CB ILE A 78 2.544 -0.695 -1.961 1.00 0.00 C ATOM 1178 CG1 ILE A 78 2.286 -1.797 -0.932 1.00 0.00 C ATOM 1179 CG2 ILE A 78 1.678 0.522 -1.670 1.00 0.00 C ATOM 1180 CD1 ILE A 78 3.132 -1.668 0.316 1.00 0.00 C ATOM 0 H ILE A 78 3.977 -2.420 -3.178 1.00 0.00 H new ATOM 0 HA ILE A 78 1.234 -1.541 -3.451 1.00 0.00 H new ATOM 0 HB ILE A 78 3.590 -0.397 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.233 -1.781 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.478 -2.766 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.881 0.880 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.906 1.310 -2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.626 0.248 -1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.896 -2.482 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.187 -1.714 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.923 -0.714 0.800 1.00 0.00 H new ATOM 1192 N SER A 79 1.452 0.351 -5.042 1.00 0.00 N ATOM 1193 CA SER A 79 1.552 1.422 -6.026 1.00 0.00 C ATOM 1194 C SER A 79 0.377 2.387 -5.899 1.00 0.00 C ATOM 1195 O SER A 79 -0.749 1.977 -5.618 1.00 0.00 O ATOM 1196 CB SER A 79 1.599 0.842 -7.441 1.00 0.00 C ATOM 1197 OG SER A 79 2.710 -0.023 -7.600 1.00 0.00 O ATOM 0 H SER A 79 0.509 -0.015 -4.912 1.00 0.00 H new ATOM 0 HA SER A 79 2.474 1.971 -5.836 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.677 0.297 -7.645 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.658 1.652 -8.168 1.00 0.00 H new ATOM 0 HG SER A 79 2.717 -0.382 -8.512 1.00 0.00 H new ATOM 1203 N ILE A 80 0.649 3.671 -6.108 1.00 0.00 N ATOM 1204 CA ILE A 80 -0.384 4.695 -6.018 1.00 0.00 C ATOM 1205 C ILE A 80 -1.123 4.848 -7.343 1.00 0.00 C ATOM 1206 O ILE A 80 -0.505 5.032 -8.392 1.00 0.00 O ATOM 1207 CB ILE A 80 0.207 6.058 -5.612 1.00 0.00 C ATOM 1208 CG1 ILE A 80 1.159 5.892 -4.425 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -0.906 7.038 -5.272 1.00 0.00 C ATOM 1210 CD1 ILE A 80 0.469 5.443 -3.156 1.00 0.00 C ATOM 0 H ILE A 80 1.576 4.027 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.085 4.369 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 80 0.772 6.458 -6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.930 5.167 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.664 6.840 -4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.472 7.997 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.549 7.175 -6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.496 6.646 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.204 5.346 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.283 6.179 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.012 4.480 -3.325 1.00 0.00 H new ATOM 1222 N ARG A 81 -2.449 4.774 -7.288 1.00 0.00 N ATOM 1223 CA ARG A 81 -3.272 4.906 -8.484 1.00 0.00 C ATOM 1224 C ARG A 81 -4.095 6.189 -8.439 1.00 0.00 C ATOM 1225 O ARG A 81 -4.720 6.503 -7.426 1.00 0.00 O ATOM 1226 CB ARG A 81 -4.199 3.697 -8.625 1.00 0.00 C ATOM 1227 CG ARG A 81 -4.680 3.462 -10.048 1.00 0.00 C ATOM 1228 CD ARG A 81 -3.616 2.776 -10.890 1.00 0.00 C ATOM 1229 NE ARG A 81 -3.981 2.730 -12.303 1.00 0.00 N ATOM 1230 CZ ARG A 81 -4.812 1.831 -12.818 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -5.362 0.909 -12.040 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -5.096 1.854 -14.114 1.00 0.00 N ATOM 0 H ARG A 81 -2.976 4.623 -6.428 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.609 4.951 -9.348 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.677 2.806 -8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.064 3.835 -7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.582 2.851 -10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.948 4.415 -10.504 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.669 3.304 -10.777 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.461 1.762 -10.522 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.576 3.426 -12.929 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.147 0.889 -11.043 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.000 0.220 -12.438 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.676 2.563 -14.716 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.734 1.163 -14.509 1.00 0.00 H new ATOM 1246 N ASN A 82 -4.090 6.929 -9.543 1.00 0.00 N ATOM 1247 CA ASN A 82 -4.835 8.180 -9.629 1.00 0.00 C ATOM 1248 C ASN A 82 -4.441 9.127 -8.500 1.00 0.00 C ATOM 1249 O ASN A 82 -5.281 9.616 -7.745 1.00 0.00 O ATOM 1250 CB ASN A 82 -6.339 7.905 -9.578 1.00 0.00 C ATOM 1251 CG ASN A 82 -6.799 6.995 -10.700 1.00 0.00 C ATOM 1252 OD1 ASN A 82 -6.841 5.696 -10.428 1.00 0.00 O flip ATOM 1253 ND2 ASN A 82 -7.114 7.454 -11.798 1.00 0.00 N flip ATOM 0 H ASN A 82 -3.578 6.684 -10.391 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.591 8.655 -10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.590 7.451 -8.620 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.880 8.849 -9.635 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.067 8.459 -11.963 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.422 6.829 -12.543 1.00 0.00 H new ATOM 1260 N PRO A 83 -3.131 9.393 -8.381 1.00 0.00 N ATOM 1261 CA PRO A 83 -2.596 10.284 -7.348 1.00 0.00 C ATOM 1262 C PRO A 83 -2.970 11.742 -7.589 1.00 0.00 C ATOM 1263 O PRO A 83 -2.550 12.346 -8.576 1.00 0.00 O ATOM 1264 CB PRO A 83 -1.081 10.095 -7.467 1.00 0.00 C ATOM 1265 CG PRO A 83 -0.863 9.656 -8.874 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.074 8.845 -9.247 1.00 0.00 C ATOM 0 HA PRO A 83 -2.994 10.048 -6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.549 11.022 -7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.718 9.350 -6.759 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.748 10.513 -9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.047 9.062 -8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.322 8.955 -10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.917 7.782 -9.066 1.00 0.00 H new ATOM 1274 N ARG A 84 -3.763 12.303 -6.681 1.00 0.00 N ATOM 1275 CA ARG A 84 -4.194 13.691 -6.796 1.00 0.00 C ATOM 1276 C ARG A 84 -3.808 14.485 -5.552 1.00 0.00 C ATOM 1277 O ARG A 84 -3.882 13.980 -4.432 1.00 0.00 O ATOM 1278 CB ARG A 84 -5.708 13.760 -7.008 1.00 0.00 C ATOM 1279 CG ARG A 84 -6.230 15.173 -7.210 1.00 0.00 C ATOM 1280 CD ARG A 84 -5.794 15.742 -8.551 1.00 0.00 C ATOM 1281 NE ARG A 84 -6.390 15.019 -9.672 1.00 0.00 N ATOM 1282 CZ ARG A 84 -7.674 15.104 -10.002 1.00 0.00 C ATOM 1283 NH1 ARG A 84 -8.492 15.876 -9.300 1.00 0.00 N ATOM 1284 NH2 ARG A 84 -8.141 14.415 -11.035 1.00 0.00 N ATOM 0 H ARG A 84 -4.120 11.817 -5.858 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.692 14.131 -7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.973 13.156 -7.876 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.208 13.317 -6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.318 15.172 -7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.868 15.814 -6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.075 16.794 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.708 15.698 -8.628 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.787 14.416 -10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.136 16.406 -8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.477 15.940 -9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.514 13.820 -11.576 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.127 14.481 -11.288 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.394 15.732 -5.757 1.00 0.00 N ATOM 1299 CA GLY A 85 -3.001 16.576 -4.643 1.00 0.00 C ATOM 1300 C GLY A 85 -1.570 16.333 -4.208 1.00 0.00 C ATOM 1301 O GLY A 85 -0.809 17.278 -3.993 1.00 0.00 O ATOM 0 H GLY A 85 -3.324 16.173 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.119 17.622 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.669 16.395 -3.801 1.00 0.00 H new ATOM 1305 N LEU A 86 -1.201 15.063 -4.077 1.00 0.00 N ATOM 1306 CA LEU A 86 0.150 14.698 -3.663 1.00 0.00 C ATOM 1307 C LEU A 86 1.157 14.989 -4.771 1.00 0.00 C ATOM 1308 O LEU A 86 0.783 15.185 -5.927 1.00 0.00 O ATOM 1309 CB LEU A 86 0.205 13.217 -3.283 1.00 0.00 C ATOM 1310 CG LEU A 86 -0.574 12.816 -2.030 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -1.033 11.370 -2.128 1.00 0.00 C ATOM 1312 CD2 LEU A 86 0.275 13.025 -0.785 1.00 0.00 C ATOM 0 H LEU A 86 -1.818 14.269 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 86 0.412 15.300 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.171 12.633 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.249 12.937 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.456 13.452 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.586 11.102 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.678 11.251 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.165 10.719 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.295 12.735 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.176 12.415 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.554 14.076 -0.707 1.00 0.00 H new ATOM 1324 N SER A 87 2.436 15.014 -4.410 1.00 0.00 N ATOM 1325 CA SER A 87 3.497 15.282 -5.374 1.00 0.00 C ATOM 1326 C SER A 87 4.520 14.151 -5.383 1.00 0.00 C ATOM 1327 O SER A 87 4.496 13.269 -4.525 1.00 0.00 O ATOM 1328 CB SER A 87 4.188 16.607 -5.048 1.00 0.00 C ATOM 1329 OG SER A 87 3.341 17.707 -5.333 1.00 0.00 O ATOM 0 H SER A 87 2.763 14.852 -3.457 1.00 0.00 H new ATOM 0 HA SER A 87 3.046 15.349 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.470 16.624 -3.995 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.108 16.693 -5.626 1.00 0.00 H new ATOM 0 HG SER A 87 3.805 18.542 -5.115 1.00 0.00 H new ATOM 1335 N ASP A 88 5.419 14.183 -6.361 1.00 0.00 N ATOM 1336 CA ASP A 88 6.453 13.162 -6.484 1.00 0.00 C ATOM 1337 C ASP A 88 7.110 12.889 -5.134 1.00 0.00 C ATOM 1338 O ASP A 88 7.372 11.739 -4.782 1.00 0.00 O ATOM 1339 CB ASP A 88 7.510 13.595 -7.501 1.00 0.00 C ATOM 1340 CG ASP A 88 7.062 13.373 -8.932 1.00 0.00 C ATOM 1341 OD1 ASP A 88 6.103 14.046 -9.364 1.00 0.00 O ATOM 1342 OD2 ASP A 88 7.669 12.525 -9.619 1.00 0.00 O ATOM 0 H ASP A 88 5.452 14.905 -7.080 1.00 0.00 H new ATOM 0 HA ASP A 88 5.981 12.243 -6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.740 14.650 -7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.431 13.041 -7.322 1.00 0.00 H new ATOM 1347 N GLU A 89 7.374 13.954 -4.384 1.00 0.00 N ATOM 1348 CA GLU A 89 8.002 13.828 -3.074 1.00 0.00 C ATOM 1349 C GLU A 89 7.083 13.099 -2.098 1.00 0.00 C ATOM 1350 O GLU A 89 7.363 11.971 -1.692 1.00 0.00 O ATOM 1351 CB GLU A 89 8.359 15.209 -2.520 1.00 0.00 C ATOM 1352 CG GLU A 89 8.892 15.175 -1.098 1.00 0.00 C ATOM 1353 CD GLU A 89 9.821 16.335 -0.795 1.00 0.00 C ATOM 1354 OE1 GLU A 89 10.970 16.319 -1.283 1.00 0.00 O ATOM 1355 OE2 GLU A 89 9.397 17.260 -0.070 1.00 0.00 O ATOM 0 H GLU A 89 7.163 14.913 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 89 8.915 13.244 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.105 15.669 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.474 15.844 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.055 15.193 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.423 14.237 -0.935 1.00 0.00 H new ATOM 1362 N GLN A 90 5.987 13.751 -1.726 1.00 0.00 N ATOM 1363 CA GLN A 90 5.028 13.165 -0.796 1.00 0.00 C ATOM 1364 C GLN A 90 4.752 11.707 -1.147 1.00 0.00 C ATOM 1365 O GLN A 90 4.926 10.815 -0.316 1.00 0.00 O ATOM 1366 CB GLN A 90 3.722 13.961 -0.809 1.00 0.00 C ATOM 1367 CG GLN A 90 3.902 15.433 -0.472 1.00 0.00 C ATOM 1368 CD GLN A 90 3.745 15.715 1.009 1.00 0.00 C ATOM 1369 OE1 GLN A 90 4.673 15.206 1.811 1.00 0.00 O flip ATOM 1370 NE2 GLN A 90 2.800 16.385 1.428 1.00 0.00 N flip ATOM 0 H GLN A 90 5.740 14.685 -2.054 1.00 0.00 H new ATOM 0 HA GLN A 90 5.459 13.204 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.264 13.876 -1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.028 13.516 -0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.890 15.758 -0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.173 16.021 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.110 16.757 0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.708 16.568 2.427 1.00 0.00 H new ATOM 1379 N ILE A 91 4.320 11.472 -2.381 1.00 0.00 N ATOM 1380 CA ILE A 91 4.021 10.121 -2.841 1.00 0.00 C ATOM 1381 C ILE A 91 5.199 9.184 -2.598 1.00 0.00 C ATOM 1382 O ILE A 91 5.064 8.161 -1.926 1.00 0.00 O ATOM 1383 CB ILE A 91 3.664 10.103 -4.339 1.00 0.00 C ATOM 1384 CG1 ILE A 91 2.489 11.042 -4.618 1.00 0.00 C ATOM 1385 CG2 ILE A 91 3.335 8.687 -4.788 1.00 0.00 C ATOM 1386 CD1 ILE A 91 2.212 11.241 -6.091 1.00 0.00 C ATOM 0 H ILE A 91 4.169 12.199 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 91 3.161 9.775 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 91 4.526 10.453 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.595 10.644 -4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.692 12.010 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.085 8.691 -5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.198 8.043 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.486 8.312 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.367 11.918 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.092 11.668 -6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.978 10.281 -6.550 1.00 0.00 H new ATOM 1398 N HIS A 92 6.355 9.541 -3.149 1.00 0.00 N ATOM 1399 CA HIS A 92 7.559 8.733 -2.990 1.00 0.00 C ATOM 1400 C HIS A 92 7.640 8.150 -1.583 1.00 0.00 C ATOM 1401 O HIS A 92 7.759 6.936 -1.408 1.00 0.00 O ATOM 1402 CB HIS A 92 8.804 9.573 -3.279 1.00 0.00 C ATOM 1403 CG HIS A 92 10.081 8.792 -3.216 1.00 0.00 C ATOM 1404 ND1 HIS A 92 11.274 9.336 -2.790 1.00 0.00 N ATOM 1405 CD2 HIS A 92 10.346 7.502 -3.525 1.00 0.00 C ATOM 1406 CE1 HIS A 92 12.219 8.414 -2.842 1.00 0.00 C ATOM 1407 NE2 HIS A 92 11.681 7.291 -3.285 1.00 0.00 N ATOM 0 H HIS A 92 6.483 10.384 -3.709 1.00 0.00 H new ATOM 0 HA HIS A 92 7.511 7.910 -3.703 1.00 0.00 H new ATOM 0 HB2 HIS A 92 8.709 10.020 -4.269 1.00 0.00 H new ATOM 0 HB3 HIS A 92 8.853 10.393 -2.563 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.639 6.773 -3.892 1.00 0.00 H new ATOM 0 HE1 HIS A 92 13.254 8.554 -2.569 1.00 0.00 H new ATOM 0 HE2 HIS A 92 12.177 6.411 -3.426 1.00 0.00 H new ATOM 1416 N THR A 93 7.577 9.021 -0.581 1.00 0.00 N ATOM 1417 CA THR A 93 7.645 8.593 0.810 1.00 0.00 C ATOM 1418 C THR A 93 6.567 7.561 1.121 1.00 0.00 C ATOM 1419 O THR A 93 6.861 6.474 1.619 1.00 0.00 O ATOM 1420 CB THR A 93 7.491 9.785 1.774 1.00 0.00 C ATOM 1421 OG1 THR A 93 8.367 10.848 1.382 1.00 0.00 O ATOM 1422 CG2 THR A 93 7.798 9.369 3.204 1.00 0.00 C ATOM 0 H THR A 93 7.479 10.028 -0.708 1.00 0.00 H new ATOM 0 HA THR A 93 8.628 8.144 0.954 1.00 0.00 H new ATOM 0 HB THR A 93 6.458 10.130 1.728 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.262 11.603 1.998 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.682 10.228 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.110 8.581 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.822 9.000 3.264 1.00 0.00 H new ATOM 1430 N ILE A 94 5.319 7.907 0.824 1.00 0.00 N ATOM 1431 CA ILE A 94 4.198 7.009 1.071 1.00 0.00 C ATOM 1432 C ILE A 94 4.582 5.561 0.788 1.00 0.00 C ATOM 1433 O ILE A 94 4.300 4.665 1.585 1.00 0.00 O ATOM 1434 CB ILE A 94 2.977 7.383 0.210 1.00 0.00 C ATOM 1435 CG1 ILE A 94 2.490 8.790 0.561 1.00 0.00 C ATOM 1436 CG2 ILE A 94 1.862 6.366 0.403 1.00 0.00 C ATOM 1437 CD1 ILE A 94 1.583 9.394 -0.488 1.00 0.00 C ATOM 0 H ILE A 94 5.059 8.803 0.412 1.00 0.00 H new ATOM 0 HA ILE A 94 3.935 7.114 2.124 1.00 0.00 H new ATOM 0 HB ILE A 94 3.273 7.373 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.959 8.755 1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.353 9.440 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.006 6.644 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.216 5.378 0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.565 6.347 1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.276 10.391 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.117 9.461 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.701 8.765 -0.612 1.00 0.00 H new ATOM 1449 N LEU A 95 5.228 5.337 -0.351 1.00 0.00 N ATOM 1450 CA LEU A 95 5.653 3.997 -0.740 1.00 0.00 C ATOM 1451 C LEU A 95 6.687 3.448 0.239 1.00 0.00 C ATOM 1452 O LEU A 95 6.434 2.466 0.935 1.00 0.00 O ATOM 1453 CB LEU A 95 6.233 4.015 -2.155 1.00 0.00 C ATOM 1454 CG LEU A 95 5.243 4.310 -3.283 1.00 0.00 C ATOM 1455 CD1 LEU A 95 5.980 4.744 -4.540 1.00 0.00 C ATOM 1456 CD2 LEU A 95 4.376 3.092 -3.564 1.00 0.00 C ATOM 0 H LEU A 95 5.469 6.067 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 95 4.779 3.346 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.027 4.761 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.696 3.047 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 95 4.594 5.127 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.259 4.950 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.556 5.645 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.653 3.949 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.678 3.320 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.009 2.255 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.819 2.827 -2.665 1.00 0.00 H new ATOM 1468 N GLN A 96 7.849 4.092 0.286 1.00 0.00 N ATOM 1469 CA GLN A 96 8.919 3.668 1.181 1.00 0.00 C ATOM 1470 C GLN A 96 8.354 3.141 2.495 1.00 0.00 C ATOM 1471 O GLN A 96 8.861 2.170 3.057 1.00 0.00 O ATOM 1472 CB GLN A 96 9.875 4.831 1.453 1.00 0.00 C ATOM 1473 CG GLN A 96 10.463 5.443 0.192 1.00 0.00 C ATOM 1474 CD GLN A 96 11.732 6.228 0.461 1.00 0.00 C ATOM 1475 OE1 GLN A 96 11.691 7.436 0.697 1.00 0.00 O ATOM 1476 NE2 GLN A 96 12.870 5.544 0.427 1.00 0.00 N ATOM 0 H GLN A 96 8.073 4.908 -0.284 1.00 0.00 H new ATOM 0 HA GLN A 96 9.467 2.862 0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.344 5.604 2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.687 4.481 2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.676 4.651 -0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.724 6.100 -0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.858 4.544 0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.756 6.019 0.600 1.00 0.00 H new ATOM 1485 N VAL A 97 7.300 3.789 2.982 1.00 0.00 N ATOM 1486 CA VAL A 97 6.664 3.385 4.231 1.00 0.00 C ATOM 1487 C VAL A 97 5.824 2.127 4.039 1.00 0.00 C ATOM 1488 O VAL A 97 6.158 1.060 4.555 1.00 0.00 O ATOM 1489 CB VAL A 97 5.770 4.505 4.794 1.00 0.00 C ATOM 1490 CG1 VAL A 97 5.095 4.055 6.080 1.00 0.00 C ATOM 1491 CG2 VAL A 97 6.583 5.770 5.023 1.00 0.00 C ATOM 0 H VAL A 97 6.869 4.596 2.531 1.00 0.00 H new ATOM 0 HA VAL A 97 7.465 3.178 4.941 1.00 0.00 H new ATOM 0 HB VAL A 97 4.992 4.727 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.468 4.860 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.479 3.178 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.854 3.803 6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.936 6.551 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.383 5.565 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.014 6.102 4.078 1.00 0.00 H new ATOM 1501 N LEU A 98 4.734 2.260 3.292 1.00 0.00 N ATOM 1502 CA LEU A 98 3.844 1.134 3.030 1.00 0.00 C ATOM 1503 C LEU A 98 4.641 -0.144 2.784 1.00 0.00 C ATOM 1504 O LEU A 98 4.293 -1.211 3.286 1.00 0.00 O ATOM 1505 CB LEU A 98 2.953 1.432 1.823 1.00 0.00 C ATOM 1506 CG LEU A 98 2.046 2.657 1.946 1.00 0.00 C ATOM 1507 CD1 LEU A 98 1.805 3.282 0.580 1.00 0.00 C ATOM 1508 CD2 LEU A 98 0.726 2.280 2.602 1.00 0.00 C ATOM 0 H LEU A 98 4.445 3.136 2.857 1.00 0.00 H new ATOM 0 HA LEU A 98 3.217 0.987 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.591 1.563 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.328 0.559 1.633 1.00 0.00 H new ATOM 0 HG LEU A 98 2.545 3.393 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.158 4.152 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.757 3.589 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.327 2.553 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.093 3.164 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.222 1.526 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.916 1.879 3.598 1.00 0.00 H new ATOM 1520 N GLY A 99 5.715 -0.025 2.009 1.00 0.00 N ATOM 1521 CA GLY A 99 6.546 -1.177 1.712 1.00 0.00 C ATOM 1522 C GLY A 99 7.223 -1.738 2.947 1.00 0.00 C ATOM 1523 O GLY A 99 7.203 -2.947 3.180 1.00 0.00 O ATOM 0 H GLY A 99 6.024 0.848 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.934 -1.953 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.305 -0.895 0.982 1.00 0.00 H new ATOM 1527 N HIS A 100 7.826 -0.858 3.740 1.00 0.00 N ATOM 1528 CA HIS A 100 8.514 -1.272 4.958 1.00 0.00 C ATOM 1529 C HIS A 100 7.613 -2.153 5.818 1.00 0.00 C ATOM 1530 O HIS A 100 8.041 -3.192 6.321 1.00 0.00 O ATOM 1531 CB HIS A 100 8.963 -0.048 5.757 1.00 0.00 C ATOM 1532 CG HIS A 100 9.062 -0.298 7.230 1.00 0.00 C ATOM 1533 ND1 HIS A 100 10.007 -1.131 7.791 1.00 0.00 N ATOM 1534 CD2 HIS A 100 8.327 0.183 8.260 1.00 0.00 C ATOM 1535 CE1 HIS A 100 9.849 -1.153 9.102 1.00 0.00 C ATOM 1536 NE2 HIS A 100 8.836 -0.363 9.413 1.00 0.00 N ATOM 0 H HIS A 100 7.852 0.146 3.561 1.00 0.00 H new ATOM 0 HA HIS A 100 9.392 -1.851 4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.934 0.281 5.387 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.261 0.768 5.582 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.495 0.868 8.188 1.00 0.00 H new ATOM 0 HE1 HIS A 100 10.446 -1.720 9.801 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.489 -0.187 10.356 1.00 0.00 H new ATOM 1545 N VAL A 101 6.364 -1.731 5.983 1.00 0.00 N ATOM 1546 CA VAL A 101 5.402 -2.481 6.782 1.00 0.00 C ATOM 1547 C VAL A 101 5.260 -3.910 6.271 1.00 0.00 C ATOM 1548 O VAL A 101 5.230 -4.860 7.053 1.00 0.00 O ATOM 1549 CB VAL A 101 4.018 -1.805 6.775 1.00 0.00 C ATOM 1550 CG1 VAL A 101 3.025 -2.612 7.598 1.00 0.00 C ATOM 1551 CG2 VAL A 101 4.120 -0.379 7.295 1.00 0.00 C ATOM 0 H VAL A 101 5.994 -0.873 5.574 1.00 0.00 H new ATOM 0 HA VAL A 101 5.784 -2.499 7.803 1.00 0.00 H new ATOM 0 HB VAL A 101 3.656 -1.768 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.053 -2.119 7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.931 -3.613 7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.378 -2.683 8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.133 0.084 7.283 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.503 -0.390 8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.796 0.193 6.659 1.00 0.00 H new ATOM 1561 N ALA A 102 5.172 -4.056 4.953 1.00 0.00 N ATOM 1562 CA ALA A 102 5.036 -5.370 4.336 1.00 0.00 C ATOM 1563 C ALA A 102 6.231 -6.258 4.666 1.00 0.00 C ATOM 1564 O ALA A 102 6.082 -7.313 5.283 1.00 0.00 O ATOM 1565 CB ALA A 102 4.878 -5.232 2.829 1.00 0.00 C ATOM 0 H ALA A 102 5.192 -3.280 4.291 1.00 0.00 H new ATOM 0 HA ALA A 102 4.142 -5.844 4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.778 -6.221 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.988 -4.642 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.755 -4.734 2.415 1.00 0.00 H new ATOM 1571 N LYS A 103 7.416 -5.825 4.251 1.00 0.00 N ATOM 1572 CA LYS A 103 8.638 -6.579 4.502 1.00 0.00 C ATOM 1573 C LYS A 103 8.759 -6.944 5.978 1.00 0.00 C ATOM 1574 O LYS A 103 9.172 -8.051 6.322 1.00 0.00 O ATOM 1575 CB LYS A 103 9.861 -5.770 4.064 1.00 0.00 C ATOM 1576 CG LYS A 103 10.096 -5.786 2.564 1.00 0.00 C ATOM 1577 CD LYS A 103 11.247 -4.876 2.169 1.00 0.00 C ATOM 1578 CE LYS A 103 11.320 -4.692 0.661 1.00 0.00 C ATOM 1579 NZ LYS A 103 11.994 -5.841 -0.005 1.00 0.00 N ATOM 0 H LYS A 103 7.556 -4.954 3.738 1.00 0.00 H new ATOM 0 HA LYS A 103 8.592 -7.500 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.740 -4.738 4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.745 -6.163 4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 103 10.309 -6.805 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.188 -5.470 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 103 11.126 -3.905 2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 103 12.185 -5.296 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.313 -4.579 0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.859 -3.773 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.024 -5.678 -1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.964 -5.933 0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.466 -6.715 0.192 1.00 0.00 H new ATOM 1593 N ALA A 104 8.394 -6.006 6.846 1.00 0.00 N ATOM 1594 CA ALA A 104 8.458 -6.231 8.285 1.00 0.00 C ATOM 1595 C ALA A 104 7.416 -7.252 8.728 1.00 0.00 C ATOM 1596 O ALA A 104 7.512 -7.820 9.815 1.00 0.00 O ATOM 1597 CB ALA A 104 8.266 -4.919 9.033 1.00 0.00 C ATOM 0 H ALA A 104 8.051 -5.084 6.578 1.00 0.00 H new ATOM 0 HA ALA A 104 9.444 -6.631 8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.316 -5.101 10.106 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.051 -4.219 8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.293 -4.496 8.782 1.00 0.00 H new ATOM 1603 N GLY A 105 6.418 -7.479 7.879 1.00 0.00 N ATOM 1604 CA GLY A 105 5.372 -8.431 8.202 1.00 0.00 C ATOM 1605 C GLY A 105 5.318 -9.588 7.224 1.00 0.00 C ATOM 1606 O GLY A 105 4.238 -10.015 6.813 1.00 0.00 O ATOM 0 H GLY A 105 6.316 -7.021 6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.535 -8.817 9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.409 -7.920 8.209 1.00 0.00 H new ATOM 1610 N LEU A 106 6.486 -10.097 6.848 1.00 0.00 N ATOM 1611 CA LEU A 106 6.569 -11.211 5.909 1.00 0.00 C ATOM 1612 C LEU A 106 6.139 -12.515 6.574 1.00 0.00 C ATOM 1613 O LEU A 106 6.315 -12.698 7.777 1.00 0.00 O ATOM 1614 CB LEU A 106 7.994 -11.346 5.371 1.00 0.00 C ATOM 1615 CG LEU A 106 8.302 -10.574 4.087 1.00 0.00 C ATOM 1616 CD1 LEU A 106 9.754 -10.773 3.680 1.00 0.00 C ATOM 1617 CD2 LEU A 106 7.368 -11.009 2.967 1.00 0.00 C ATOM 0 H LEU A 106 7.389 -9.756 7.179 1.00 0.00 H new ATOM 0 HA LEU A 106 5.892 -11.006 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.686 -11.015 6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.196 -12.402 5.193 1.00 0.00 H new ATOM 0 HG LEU A 106 8.141 -9.513 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.955 -10.216 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.407 -10.412 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.942 -11.833 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.601 -10.450 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.497 -12.075 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.336 -10.814 3.258 1.00 0.00 H new ATOM 1629 N GLY A 107 5.575 -13.420 5.779 1.00 0.00 N ATOM 1630 CA GLY A 107 5.131 -14.697 6.308 1.00 0.00 C ATOM 1631 C GLY A 107 3.856 -14.577 7.119 1.00 0.00 C ATOM 1632 O GLY A 107 3.353 -15.567 7.651 1.00 0.00 O ATOM 0 H GLY A 107 5.418 -13.292 4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.970 -15.392 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.917 -15.121 6.933 1.00 0.00 H new ATOM 1636 N THR A 108 3.331 -13.359 7.217 1.00 0.00 N ATOM 1637 CA THR A 108 2.110 -13.112 7.972 1.00 0.00 C ATOM 1638 C THR A 108 1.170 -12.184 7.210 1.00 0.00 C ATOM 1639 O THR A 108 1.453 -11.792 6.079 1.00 0.00 O ATOM 1640 CB THR A 108 2.416 -12.495 9.350 1.00 0.00 C ATOM 1641 OG1 THR A 108 3.470 -11.533 9.233 1.00 0.00 O ATOM 1642 CG2 THR A 108 2.813 -13.571 10.349 1.00 0.00 C ATOM 0 H THR A 108 3.733 -12.529 6.782 1.00 0.00 H new ATOM 0 HA THR A 108 1.626 -14.078 8.114 1.00 0.00 H new ATOM 0 HB THR A 108 1.513 -12.002 9.711 1.00 0.00 H new ATOM 0 HG1 THR A 108 3.448 -11.131 8.339 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.024 -13.111 11.314 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.997 -14.285 10.458 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.703 -14.089 9.991 1.00 0.00 H new ATOM 1650 N ALA A 109 0.052 -11.837 7.838 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.928 -10.952 7.219 1.00 0.00 C ATOM 1652 C ALA A 109 -0.492 -9.495 7.318 1.00 0.00 C ATOM 1653 O ALA A 109 -0.277 -8.975 8.412 1.00 0.00 O ATOM 1654 CB ALA A 109 -2.293 -11.142 7.865 1.00 0.00 C ATOM 0 H ALA A 109 -0.198 -12.155 8.774 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.999 -11.211 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.015 -10.475 7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.616 -12.175 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.227 -10.912 8.928 1.00 0.00 H new ATOM 1660 N MET A 110 -0.363 -8.841 6.168 1.00 0.00 N ATOM 1661 CA MET A 110 0.048 -7.442 6.126 1.00 0.00 C ATOM 1662 C MET A 110 -1.016 -6.584 5.450 1.00 0.00 C ATOM 1663 O MET A 110 -1.167 -5.402 5.765 1.00 0.00 O ATOM 1664 CB MET A 110 1.380 -7.301 5.388 1.00 0.00 C ATOM 1665 CG MET A 110 1.349 -7.848 3.970 1.00 0.00 C ATOM 1666 SD MET A 110 2.996 -8.013 3.253 1.00 0.00 S ATOM 1667 CE MET A 110 3.416 -9.682 3.751 1.00 0.00 C ATOM 0 H MET A 110 -0.537 -9.257 5.253 1.00 0.00 H new ATOM 0 HA MET A 110 0.172 -7.094 7.152 1.00 0.00 H new ATOM 0 HB2 MET A 110 1.659 -6.248 5.357 1.00 0.00 H new ATOM 0 HB3 MET A 110 2.155 -7.819 5.952 1.00 0.00 H new ATOM 0 HG2 MET A 110 0.858 -8.821 3.971 1.00 0.00 H new ATOM 0 HG3 MET A 110 0.749 -7.189 3.343 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.464 -9.720 4.049 1.00 0.00 H new ATOM 0 HE2 MET A 110 2.789 -9.980 4.591 1.00 0.00 H new ATOM 0 HE3 MET A 110 3.252 -10.363 2.916 1.00 0.00 H new ATOM 1677 N LEU A 111 -1.750 -7.183 4.519 1.00 0.00 N ATOM 1678 CA LEU A 111 -2.800 -6.473 3.797 1.00 0.00 C ATOM 1679 C LEU A 111 -3.479 -5.444 4.696 1.00 0.00 C ATOM 1680 O LEU A 111 -3.345 -4.238 4.488 1.00 0.00 O ATOM 1681 CB LEU A 111 -3.837 -7.462 3.262 1.00 0.00 C ATOM 1682 CG LEU A 111 -3.418 -8.275 2.036 1.00 0.00 C ATOM 1683 CD1 LEU A 111 -4.583 -9.108 1.525 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -2.896 -7.357 0.940 1.00 0.00 C ATOM 0 H LEU A 111 -1.637 -8.159 4.246 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.340 -5.949 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -4.095 -8.156 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -4.743 -6.909 3.014 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.615 -8.951 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.266 -9.680 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.912 -9.792 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.407 -8.450 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.603 -7.953 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.679 -6.656 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.033 -6.804 1.309 1.00 0.00 H new ATOM 1696 N TYR A 112 -4.205 -5.929 5.698 1.00 0.00 N ATOM 1697 CA TYR A 112 -4.904 -5.052 6.629 1.00 0.00 C ATOM 1698 C TYR A 112 -3.986 -3.938 7.122 1.00 0.00 C ATOM 1699 O TYR A 112 -4.347 -2.762 7.089 1.00 0.00 O ATOM 1700 CB TYR A 112 -5.435 -5.855 7.818 1.00 0.00 C ATOM 1701 CG TYR A 112 -6.146 -5.010 8.851 1.00 0.00 C ATOM 1702 CD1 TYR A 112 -7.463 -4.610 8.663 1.00 0.00 C ATOM 1703 CD2 TYR A 112 -5.500 -4.612 10.015 1.00 0.00 C ATOM 1704 CE1 TYR A 112 -8.116 -3.838 9.604 1.00 0.00 C ATOM 1705 CE2 TYR A 112 -6.145 -3.841 10.962 1.00 0.00 C ATOM 1706 CZ TYR A 112 -7.453 -3.455 10.751 1.00 0.00 C ATOM 1707 OH TYR A 112 -8.100 -2.687 11.691 1.00 0.00 O ATOM 0 H TYR A 112 -4.324 -6.924 5.886 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.743 -4.599 6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -6.120 -6.620 7.452 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -4.604 -6.374 8.295 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -7.985 -4.908 7.766 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.476 -4.911 10.182 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -9.140 -3.536 9.442 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -5.629 -3.542 11.862 1.00 0.00 H new ATOM 0 HH TYR A 112 -7.493 -2.505 12.439 1.00 0.00 H new ATOM 1717 N GLU A 113 -2.797 -4.319 7.579 1.00 0.00 N ATOM 1718 CA GLU A 113 -1.827 -3.352 8.080 1.00 0.00 C ATOM 1719 C GLU A 113 -1.505 -2.305 7.018 1.00 0.00 C ATOM 1720 O GLU A 113 -1.830 -1.127 7.173 1.00 0.00 O ATOM 1721 CB GLU A 113 -0.545 -4.063 8.517 1.00 0.00 C ATOM 1722 CG GLU A 113 -0.557 -4.502 9.972 1.00 0.00 C ATOM 1723 CD GLU A 113 0.738 -5.171 10.391 1.00 0.00 C ATOM 1724 OE1 GLU A 113 1.803 -4.777 9.871 1.00 0.00 O ATOM 1725 OE2 GLU A 113 0.686 -6.087 11.237 1.00 0.00 O ATOM 0 H GLU A 113 -2.483 -5.289 7.613 1.00 0.00 H new ATOM 0 HA GLU A 113 -2.266 -2.848 8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.391 -4.937 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 113 0.303 -3.398 8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.736 -3.635 10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.386 -5.191 10.133 1.00 0.00 H new ATOM 1732 N LEU A 114 -0.863 -2.742 5.940 1.00 0.00 N ATOM 1733 CA LEU A 114 -0.495 -1.843 4.852 1.00 0.00 C ATOM 1734 C LEU A 114 -1.569 -0.782 4.636 1.00 0.00 C ATOM 1735 O LEU A 114 -1.268 0.409 4.547 1.00 0.00 O ATOM 1736 CB LEU A 114 -0.278 -2.636 3.561 1.00 0.00 C ATOM 1737 CG LEU A 114 0.775 -3.742 3.622 1.00 0.00 C ATOM 1738 CD1 LEU A 114 0.635 -4.678 2.431 1.00 0.00 C ATOM 1739 CD2 LEU A 114 2.174 -3.145 3.671 1.00 0.00 C ATOM 0 H LEU A 114 -0.587 -3.713 5.796 1.00 0.00 H new ATOM 0 HA LEU A 114 0.434 -1.343 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.228 -3.082 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.002 -1.938 2.772 1.00 0.00 H new ATOM 0 HG LEU A 114 0.616 -4.319 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.393 -5.459 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.356 -5.132 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.768 -4.114 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.911 -3.947 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.344 -2.544 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.270 -2.516 4.556 1.00 0.00 H new ATOM 1751 N ILE A 115 -2.820 -1.221 4.555 1.00 0.00 N ATOM 1752 CA ILE A 115 -3.938 -0.308 4.353 1.00 0.00 C ATOM 1753 C ILE A 115 -4.005 0.734 5.465 1.00 0.00 C ATOM 1754 O ILE A 115 -4.078 1.933 5.201 1.00 0.00 O ATOM 1755 CB ILE A 115 -5.278 -1.064 4.291 1.00 0.00 C ATOM 1756 CG1 ILE A 115 -5.238 -2.129 3.194 1.00 0.00 C ATOM 1757 CG2 ILE A 115 -6.424 -0.092 4.052 1.00 0.00 C ATOM 1758 CD1 ILE A 115 -6.223 -3.257 3.410 1.00 0.00 C ATOM 0 H ILE A 115 -3.085 -2.203 4.626 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.768 0.192 3.400 1.00 0.00 H new ATOM 0 HB ILE A 115 -5.442 -1.561 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -5.444 -1.657 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.231 -2.543 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.364 -0.641 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.462 0.632 4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.267 0.430 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -6.139 -3.975 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.005 -3.755 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -7.236 -2.855 3.437 1.00 0.00 H new ATOM 1770 N GLU A 116 -3.977 0.265 6.709 1.00 0.00 N ATOM 1771 CA GLU A 116 -4.034 1.157 7.861 1.00 0.00 C ATOM 1772 C GLU A 116 -3.013 2.283 7.729 1.00 0.00 C ATOM 1773 O GLU A 116 -3.370 3.461 7.698 1.00 0.00 O ATOM 1774 CB GLU A 116 -3.782 0.375 9.152 1.00 0.00 C ATOM 1775 CG GLU A 116 -4.879 -0.623 9.483 1.00 0.00 C ATOM 1776 CD GLU A 116 -6.262 -0.002 9.450 1.00 0.00 C ATOM 1777 OE1 GLU A 116 -6.751 0.296 8.340 1.00 0.00 O ATOM 1778 OE2 GLU A 116 -6.855 0.185 10.532 1.00 0.00 O ATOM 0 H GLU A 116 -3.915 -0.726 6.944 1.00 0.00 H new ATOM 0 HA GLU A 116 -5.031 1.596 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -2.834 -0.155 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.680 1.078 9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.839 -1.450 8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.697 -1.043 10.472 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.739 1.913 7.651 1.00 0.00 N ATOM 1786 CA LYS A 117 -0.664 2.890 7.521 1.00 0.00 C ATOM 1787 C LYS A 117 -1.075 4.030 6.595 1.00 0.00 C ATOM 1788 O LYS A 117 -1.076 5.195 6.991 1.00 0.00 O ATOM 1789 CB LYS A 117 0.603 2.217 6.988 1.00 0.00 C ATOM 1790 CG LYS A 117 1.858 3.050 7.173 1.00 0.00 C ATOM 1791 CD LYS A 117 2.231 3.178 8.641 1.00 0.00 C ATOM 1792 CE LYS A 117 3.735 3.311 8.824 1.00 0.00 C ATOM 1793 NZ LYS A 117 4.105 3.505 10.254 1.00 0.00 N ATOM 0 H LYS A 117 -1.426 0.943 7.676 1.00 0.00 H new ATOM 0 HA LYS A 117 -0.460 3.303 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 117 0.735 1.260 7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.472 2.003 5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.683 2.594 6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.703 4.042 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.733 4.048 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.873 2.305 9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.228 2.418 8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.099 4.154 8.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 5.133 3.642 10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.615 4.342 10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.826 2.666 10.802 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.424 3.686 5.359 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.833 4.693 4.396 1.00 0.00 C ATOM 1809 C GLY A 118 -2.747 5.738 5.004 1.00 0.00 C ATOM 1810 O GLY A 118 -2.678 6.916 4.651 1.00 0.00 O ATOM 0 H GLY A 118 -1.431 2.729 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -0.948 5.182 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -2.343 4.209 3.563 1.00 0.00 H new ATOM 1814 N LYS A 119 -3.609 5.308 5.920 1.00 0.00 N ATOM 1815 CA LYS A 119 -4.542 6.215 6.578 1.00 0.00 C ATOM 1816 C LYS A 119 -3.797 7.246 7.420 1.00 0.00 C ATOM 1817 O LYS A 119 -4.027 8.448 7.291 1.00 0.00 O ATOM 1818 CB LYS A 119 -5.513 5.427 7.460 1.00 0.00 C ATOM 1819 CG LYS A 119 -6.356 4.424 6.692 1.00 0.00 C ATOM 1820 CD LYS A 119 -7.290 3.658 7.613 1.00 0.00 C ATOM 1821 CE LYS A 119 -8.445 3.034 6.844 1.00 0.00 C ATOM 1822 NZ LYS A 119 -7.979 1.971 5.912 1.00 0.00 N ATOM 0 H LYS A 119 -3.681 4.337 6.223 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.105 6.740 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.947 4.900 8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.173 6.126 7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.939 4.944 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.704 3.724 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.732 2.877 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.681 4.330 8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.163 2.612 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.967 3.808 6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.801 1.513 5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.380 2.394 5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.430 1.263 6.440 1.00 0.00 H new ATOM 1836 N GLU A 120 -2.902 6.767 8.279 1.00 0.00 N ATOM 1837 CA GLU A 120 -2.123 7.649 9.140 1.00 0.00 C ATOM 1838 C GLU A 120 -1.261 8.597 8.311 1.00 0.00 C ATOM 1839 O GLU A 120 -1.068 9.757 8.676 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.239 6.829 10.081 1.00 0.00 C ATOM 1841 CG GLU A 120 0.166 6.598 9.550 1.00 0.00 C ATOM 1842 CD GLU A 120 1.060 5.894 10.552 1.00 0.00 C ATOM 1843 OE1 GLU A 120 0.529 5.148 11.400 1.00 0.00 O ATOM 1844 OE2 GLU A 120 2.292 6.089 10.486 1.00 0.00 O ATOM 0 H GLU A 120 -2.699 5.774 8.397 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.819 8.243 9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.176 7.339 11.042 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.713 5.864 10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.112 6.005 8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.611 7.556 9.282 1.00 0.00 H new ATOM 1851 N ILE A 121 -0.744 8.093 7.195 1.00 0.00 N ATOM 1852 CA ILE A 121 0.097 8.894 6.314 1.00 0.00 C ATOM 1853 C ILE A 121 -0.641 10.138 5.830 1.00 0.00 C ATOM 1854 O ILE A 121 -0.225 11.265 6.100 1.00 0.00 O ATOM 1855 CB ILE A 121 0.567 8.082 5.093 1.00 0.00 C ATOM 1856 CG1 ILE A 121 1.470 6.929 5.536 1.00 0.00 C ATOM 1857 CG2 ILE A 121 1.294 8.983 4.106 1.00 0.00 C ATOM 1858 CD1 ILE A 121 1.773 5.940 4.433 1.00 0.00 C ATOM 0 H ILE A 121 -0.893 7.134 6.880 1.00 0.00 H new ATOM 0 HA ILE A 121 0.967 9.195 6.897 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.308 7.662 4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.407 7.337 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 121 0.994 6.403 6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.620 8.395 3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.621 9.772 3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.162 9.429 4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 121 2.418 5.150 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 121 0.843 5.504 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.278 6.452 3.614 1.00 0.00 H new ATOM 1870 N LEU A 122 -1.741 9.925 5.115 1.00 0.00 N ATOM 1871 CA LEU A 122 -2.540 11.029 4.594 1.00 0.00 C ATOM 1872 C LEU A 122 -2.581 12.187 5.586 1.00 0.00 C ATOM 1873 O LEU A 122 -2.300 13.333 5.233 1.00 0.00 O ATOM 1874 CB LEU A 122 -3.961 10.555 4.286 1.00 0.00 C ATOM 1875 CG LEU A 122 -4.644 11.215 3.088 1.00 0.00 C ATOM 1876 CD1 LEU A 122 -5.252 12.550 3.488 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -3.656 11.398 1.945 1.00 0.00 C ATOM 0 H LEU A 122 -2.099 8.999 4.883 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.074 11.380 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.935 9.479 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.578 10.723 5.169 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.447 10.561 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.734 13.005 2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.991 12.392 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.468 13.211 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.159 11.869 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -2.831 12.030 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.268 10.426 1.640 1.00 0.00 H new ATOM 1889 N THR A 123 -2.931 11.880 6.831 1.00 0.00 N ATOM 1890 CA THR A 123 -3.008 12.894 7.875 1.00 0.00 C ATOM 1891 C THR A 123 -1.906 13.935 7.713 1.00 0.00 C ATOM 1892 O THR A 123 -2.155 15.137 7.814 1.00 0.00 O ATOM 1893 CB THR A 123 -2.904 12.266 9.278 1.00 0.00 C ATOM 1894 OG1 THR A 123 -3.706 11.082 9.345 1.00 0.00 O ATOM 1895 CG2 THR A 123 -3.353 13.251 10.347 1.00 0.00 C ATOM 0 H THR A 123 -3.166 10.937 7.141 1.00 0.00 H new ATOM 0 HA THR A 123 -3.979 13.378 7.774 1.00 0.00 H new ATOM 0 HB THR A 123 -1.861 12.008 9.460 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.148 10.298 9.158 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.271 12.785 11.329 1.00 0.00 H new ATOM 0 HG22 THR A 123 -2.721 14.138 10.312 1.00 0.00 H new ATOM 0 HG23 THR A 123 -4.389 13.536 10.167 1.00 0.00 H new