USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 768 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 66 GLN : amide:sc= -3.64! C(o=-4.4!,f=-12!) USER MOD Set 1.2: A 79 SER OG : rot 170:sc= -0.778 USER MOD Single : A 15 SER OG : rot 95:sc= 0.0406 USER MOD Single : A 22 SER OG : rot -20:sc= 1.15 USER MOD Single : A 24 TYR OH : rot 134:sc= 1.33 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 43 TYR OH : rot -139:sc= -1.16 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -3.61 F(o=-4.3!,f=-3.6) USER MOD Single : A 60 CYS SG : rot 21:sc= 0.133 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 100:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.38) USER MOD Single : A 82 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.1!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.069) USER MOD Single : A 93 THR OG1 : rot 76:sc= 0.453 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.45) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -123:sc= -2.62! (180deg=-4.9!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -166:sc=-0.00777 (180deg=-0.177) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 11 0.621 23.205 4.004 1.00 0.00 N ATOM 109 CA TRP A 11 0.352 21.820 3.633 1.00 0.00 C ATOM 110 C TRP A 11 1.183 20.859 4.477 1.00 0.00 C ATOM 111 O TRP A 11 2.413 20.901 4.454 1.00 0.00 O ATOM 112 CB TRP A 11 0.650 21.602 2.149 1.00 0.00 C ATOM 113 CG TRP A 11 -0.190 20.527 1.526 1.00 0.00 C ATOM 114 CD1 TRP A 11 -0.925 19.580 2.180 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.378 20.290 0.127 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.560 18.768 1.271 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.241 19.183 0.005 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.096 20.905 -1.034 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.636 18.680 -1.232 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.297 20.405 -2.261 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.157 19.302 -2.352 1.00 0.00 C ATOM 0 HA TRP A 11 -0.703 21.618 3.819 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.488 22.537 1.612 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.703 21.345 2.031 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.997 19.483 3.253 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.170 17.984 1.502 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.758 21.756 -0.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.297 17.829 -1.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.065 20.872 -3.165 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.447 18.936 -3.326 1.00 0.00 H new ATOM 132 N VAL A 12 0.503 19.993 5.222 1.00 0.00 N ATOM 133 CA VAL A 12 1.178 19.020 6.072 1.00 0.00 C ATOM 134 C VAL A 12 1.626 17.805 5.269 1.00 0.00 C ATOM 135 O VAL A 12 2.461 17.020 5.722 1.00 0.00 O ATOM 136 CB VAL A 12 0.268 18.554 7.224 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.049 18.019 6.681 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.973 17.502 8.067 1.00 0.00 C ATOM 0 H VAL A 12 -0.515 19.946 5.254 1.00 0.00 H new ATOM 0 HA VAL A 12 2.053 19.518 6.489 1.00 0.00 H new ATOM 0 HB VAL A 12 0.050 19.411 7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.679 17.694 7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.559 18.805 6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.854 17.174 6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.316 17.184 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.223 16.643 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.887 17.924 8.486 1.00 0.00 H new ATOM 148 N LEU A 13 1.066 17.654 4.073 1.00 0.00 N ATOM 149 CA LEU A 13 1.408 16.533 3.205 1.00 0.00 C ATOM 150 C LEU A 13 2.907 16.500 2.922 1.00 0.00 C ATOM 151 O LEU A 13 3.601 15.533 3.237 1.00 0.00 O ATOM 152 CB LEU A 13 0.632 16.626 1.890 1.00 0.00 C ATOM 153 CG LEU A 13 1.351 16.100 0.647 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.541 14.594 0.738 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.578 16.467 -0.612 1.00 0.00 C ATOM 0 H LEU A 13 0.374 18.294 3.683 1.00 0.00 H new ATOM 0 HA LEU A 13 1.133 15.611 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.303 16.077 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.370 17.670 1.719 1.00 0.00 H new ATOM 0 HG LEU A 13 2.334 16.567 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.054 14.237 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.137 14.355 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.568 14.109 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.104 16.085 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.419 16.028 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.494 17.551 -0.684 1.00 0.00 H new ATOM 167 N PRO A 14 3.419 17.581 2.317 1.00 0.00 N ATOM 168 CA PRO A 14 4.841 17.702 1.981 1.00 0.00 C ATOM 169 C PRO A 14 5.717 17.859 3.219 1.00 0.00 C ATOM 170 O PRO A 14 6.944 17.805 3.134 1.00 0.00 O ATOM 171 CB PRO A 14 4.897 18.967 1.122 1.00 0.00 C ATOM 172 CG PRO A 14 3.715 19.767 1.549 1.00 0.00 C ATOM 173 CD PRO A 14 2.650 18.770 1.913 1.00 0.00 C ATOM 0 HA PRO A 14 5.218 16.812 1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.825 19.515 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.850 18.727 0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.961 20.403 2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.377 20.423 0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.019 19.134 2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.994 18.557 1.069 1.00 0.00 H new ATOM 181 N SER A 15 5.079 18.054 4.369 1.00 0.00 N ATOM 182 CA SER A 15 5.802 18.223 5.625 1.00 0.00 C ATOM 183 C SER A 15 6.089 16.871 6.272 1.00 0.00 C ATOM 184 O SER A 15 7.172 16.648 6.811 1.00 0.00 O ATOM 185 CB SER A 15 4.998 19.101 6.586 1.00 0.00 C ATOM 186 OG SER A 15 5.105 20.470 6.237 1.00 0.00 O ATOM 0 H SER A 15 4.064 18.099 4.457 1.00 0.00 H new ATOM 0 HA SER A 15 6.752 18.711 5.407 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.951 18.799 6.569 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.356 18.953 7.605 1.00 0.00 H new ATOM 0 HG SER A 15 4.345 20.724 5.672 1.00 0.00 H new ATOM 192 N GLU A 16 5.109 15.974 6.214 1.00 0.00 N ATOM 193 CA GLU A 16 5.256 14.645 6.795 1.00 0.00 C ATOM 194 C GLU A 16 6.116 13.753 5.903 1.00 0.00 C ATOM 195 O GLU A 16 6.921 12.960 6.391 1.00 0.00 O ATOM 196 CB GLU A 16 3.884 14.002 7.007 1.00 0.00 C ATOM 197 CG GLU A 16 3.952 12.529 7.371 1.00 0.00 C ATOM 198 CD GLU A 16 4.459 12.299 8.782 1.00 0.00 C ATOM 199 OE1 GLU A 16 5.673 12.478 9.013 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.640 11.942 9.655 1.00 0.00 O ATOM 0 H GLU A 16 4.206 16.144 5.771 1.00 0.00 H new ATOM 0 HA GLU A 16 5.752 14.751 7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.359 14.539 7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.294 14.116 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.961 12.087 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.605 12.014 6.666 1.00 0.00 H new ATOM 207 N VAL A 17 5.938 13.890 4.593 1.00 0.00 N ATOM 208 CA VAL A 17 6.697 13.098 3.632 1.00 0.00 C ATOM 209 C VAL A 17 8.176 13.059 3.997 1.00 0.00 C ATOM 210 O VAL A 17 8.805 12.003 3.966 1.00 0.00 O ATOM 211 CB VAL A 17 6.546 13.654 2.203 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.382 12.844 1.224 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.083 13.664 1.787 1.00 0.00 C ATOM 0 H VAL A 17 5.275 14.542 4.173 1.00 0.00 H new ATOM 0 HA VAL A 17 6.292 12.087 3.665 1.00 0.00 H new ATOM 0 HB VAL A 17 6.910 14.681 2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.263 13.251 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.432 12.894 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.052 11.805 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.995 14.060 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.690 12.648 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.514 14.292 2.473 1.00 0.00 H new ATOM 223 N GLU A 18 8.725 14.220 4.344 1.00 0.00 N ATOM 224 CA GLU A 18 10.131 14.318 4.716 1.00 0.00 C ATOM 225 C GLU A 18 10.504 13.237 5.727 1.00 0.00 C ATOM 226 O GLU A 18 11.597 12.674 5.676 1.00 0.00 O ATOM 227 CB GLU A 18 10.433 15.701 5.297 1.00 0.00 C ATOM 228 CG GLU A 18 10.080 16.844 4.361 1.00 0.00 C ATOM 229 CD GLU A 18 10.576 16.615 2.946 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.767 16.888 2.685 1.00 0.00 O ATOM 231 OE2 GLU A 18 9.775 16.164 2.101 1.00 0.00 O ATOM 0 H GLU A 18 8.217 15.104 4.375 1.00 0.00 H new ATOM 0 HA GLU A 18 10.729 14.171 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.882 15.822 6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.493 15.759 5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.998 16.975 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.508 17.769 4.746 1.00 0.00 H new ATOM 238 N VAL A 19 9.586 12.953 6.646 1.00 0.00 N ATOM 239 CA VAL A 19 9.816 11.941 7.669 1.00 0.00 C ATOM 240 C VAL A 19 9.705 10.536 7.087 1.00 0.00 C ATOM 241 O VAL A 19 10.471 9.641 7.445 1.00 0.00 O ATOM 242 CB VAL A 19 8.819 12.083 8.834 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.044 10.989 9.867 1.00 0.00 C ATOM 244 CG2 VAL A 19 8.935 13.460 9.470 1.00 0.00 C ATOM 0 H VAL A 19 8.676 13.410 6.702 1.00 0.00 H new ATOM 0 HA VAL A 19 10.827 12.096 8.046 1.00 0.00 H new ATOM 0 HB VAL A 19 7.809 11.974 8.439 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.330 11.106 10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.905 10.014 9.400 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.058 11.062 10.259 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.223 13.543 10.291 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.947 13.601 9.851 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.719 14.225 8.724 1.00 0.00 H new ATOM 254 N LEU A 20 8.745 10.349 6.187 1.00 0.00 N ATOM 255 CA LEU A 20 8.533 9.052 5.554 1.00 0.00 C ATOM 256 C LEU A 20 9.735 8.659 4.701 1.00 0.00 C ATOM 257 O LEU A 20 10.052 7.478 4.567 1.00 0.00 O ATOM 258 CB LEU A 20 7.270 9.085 4.691 1.00 0.00 C ATOM 259 CG LEU A 20 5.963 9.386 5.425 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.831 9.600 4.433 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.623 8.260 6.390 1.00 0.00 C ATOM 0 H LEU A 20 8.102 11.079 5.880 1.00 0.00 H new ATOM 0 HA LEU A 20 8.410 8.307 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.406 9.834 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.170 8.121 4.192 1.00 0.00 H new ATOM 0 HG LEU A 20 6.093 10.303 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.909 9.813 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.072 10.440 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.699 8.701 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.690 8.491 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.512 7.328 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.424 8.154 7.122 1.00 0.00 H new ATOM 273 N GLU A 21 10.401 9.658 4.129 1.00 0.00 N ATOM 274 CA GLU A 21 11.569 9.415 3.291 1.00 0.00 C ATOM 275 C GLU A 21 12.777 9.029 4.140 1.00 0.00 C ATOM 276 O GLU A 21 13.499 8.085 3.818 1.00 0.00 O ATOM 277 CB GLU A 21 11.893 10.657 2.458 1.00 0.00 C ATOM 278 CG GLU A 21 10.772 11.071 1.521 1.00 0.00 C ATOM 279 CD GLU A 21 11.279 11.795 0.289 1.00 0.00 C ATOM 280 OE1 GLU A 21 11.664 11.113 -0.684 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.290 13.044 0.296 1.00 0.00 O ATOM 0 H GLU A 21 10.152 10.642 4.231 1.00 0.00 H new ATOM 0 HA GLU A 21 11.338 8.587 2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.119 11.486 3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.793 10.467 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.215 10.186 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.076 11.716 2.056 1.00 0.00 H new ATOM 288 N SER A 22 12.990 9.766 5.226 1.00 0.00 N ATOM 289 CA SER A 22 14.112 9.504 6.119 1.00 0.00 C ATOM 290 C SER A 22 14.080 8.065 6.624 1.00 0.00 C ATOM 291 O SER A 22 15.123 7.432 6.792 1.00 0.00 O ATOM 292 CB SER A 22 14.086 10.473 7.303 1.00 0.00 C ATOM 293 OG SER A 22 12.879 10.350 8.035 1.00 0.00 O ATOM 0 H SER A 22 12.400 10.549 5.508 1.00 0.00 H new ATOM 0 HA SER A 22 15.034 9.653 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.934 10.275 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.194 11.496 6.942 1.00 0.00 H new ATOM 0 HG SER A 22 12.197 9.926 7.473 1.00 0.00 H new ATOM 299 N ILE A 23 12.877 7.555 6.864 1.00 0.00 N ATOM 300 CA ILE A 23 12.708 6.191 7.349 1.00 0.00 C ATOM 301 C ILE A 23 12.500 5.219 6.193 1.00 0.00 C ATOM 302 O ILE A 23 13.255 4.259 6.032 1.00 0.00 O ATOM 303 CB ILE A 23 11.516 6.081 8.318 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.703 7.034 9.500 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.360 4.649 8.805 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.400 7.496 10.116 1.00 0.00 C ATOM 0 H ILE A 23 12.004 8.066 6.730 1.00 0.00 H new ATOM 0 HA ILE A 23 13.623 5.930 7.881 1.00 0.00 H new ATOM 0 HB ILE A 23 10.607 6.364 7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.301 6.539 10.265 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.268 7.905 9.168 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.514 4.587 9.489 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.187 3.992 7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.268 4.340 9.323 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.609 8.169 10.948 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.808 8.020 9.365 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.843 6.632 10.479 1.00 0.00 H new ATOM 318 N TYR A 24 11.474 5.474 5.389 1.00 0.00 N ATOM 319 CA TYR A 24 11.166 4.621 4.248 1.00 0.00 C ATOM 320 C TYR A 24 11.874 5.117 2.991 1.00 0.00 C ATOM 321 O TYR A 24 11.284 5.169 1.911 1.00 0.00 O ATOM 322 CB TYR A 24 9.655 4.576 4.011 1.00 0.00 C ATOM 323 CG TYR A 24 8.854 4.305 5.265 1.00 0.00 C ATOM 324 CD1 TYR A 24 9.199 3.270 6.124 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.752 5.086 5.590 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.470 3.019 7.270 1.00 0.00 C ATOM 327 CE2 TYR A 24 7.017 4.844 6.735 1.00 0.00 C ATOM 328 CZ TYR A 24 7.380 3.809 7.571 1.00 0.00 C ATOM 329 OH TYR A 24 6.651 3.563 8.712 1.00 0.00 O ATOM 0 H TYR A 24 10.841 6.265 5.507 1.00 0.00 H new ATOM 0 HA TYR A 24 11.522 3.615 4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.334 5.526 3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.434 3.804 3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.052 2.650 5.892 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.465 5.896 4.936 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.752 2.209 7.927 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.164 5.462 6.974 1.00 0.00 H new ATOM 0 HH TYR A 24 6.477 4.408 9.177 1.00 0.00 H new ATOM 339 N LEU A 25 13.143 5.481 3.139 1.00 0.00 N ATOM 340 CA LEU A 25 13.934 5.972 2.016 1.00 0.00 C ATOM 341 C LEU A 25 13.567 5.240 0.729 1.00 0.00 C ATOM 342 O LEU A 25 13.039 5.839 -0.208 1.00 0.00 O ATOM 343 CB LEU A 25 15.427 5.801 2.305 1.00 0.00 C ATOM 344 CG LEU A 25 15.987 6.635 3.458 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.182 5.937 4.089 1.00 0.00 C ATOM 346 CD2 LEU A 25 16.372 8.025 2.974 1.00 0.00 C ATOM 0 H LEU A 25 13.646 5.445 4.026 1.00 0.00 H new ATOM 0 HA LEU A 25 13.714 7.031 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.617 4.749 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.983 6.049 1.400 1.00 0.00 H new ATOM 0 HG LEU A 25 15.211 6.740 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.568 6.545 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.874 4.964 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.962 5.801 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.768 8.604 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.131 7.942 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.492 8.526 2.570 1.00 0.00 H new ATOM 358 N ASP A 26 13.848 3.942 0.692 1.00 0.00 N ATOM 359 CA ASP A 26 13.544 3.128 -0.478 1.00 0.00 C ATOM 360 C ASP A 26 12.186 2.449 -0.330 1.00 0.00 C ATOM 361 O ASP A 26 11.351 2.507 -1.233 1.00 0.00 O ATOM 362 CB ASP A 26 14.633 2.075 -0.691 1.00 0.00 C ATOM 363 CG ASP A 26 15.200 1.557 0.616 1.00 0.00 C ATOM 364 OD1 ASP A 26 14.403 1.187 1.503 1.00 0.00 O ATOM 365 OD2 ASP A 26 16.441 1.523 0.753 1.00 0.00 O ATOM 0 H ASP A 26 14.286 3.432 1.459 1.00 0.00 H new ATOM 0 HA ASP A 26 13.509 3.785 -1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.222 1.242 -1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.438 2.504 -1.288 1.00 0.00 H new ATOM 370 N GLU A 27 11.973 1.806 0.813 1.00 0.00 N ATOM 371 CA GLU A 27 10.716 1.115 1.078 1.00 0.00 C ATOM 372 C GLU A 27 9.541 1.868 0.462 1.00 0.00 C ATOM 373 O GLU A 27 8.654 1.268 -0.148 1.00 0.00 O ATOM 374 CB GLU A 27 10.502 0.957 2.585 1.00 0.00 C ATOM 375 CG GLU A 27 11.650 0.256 3.292 1.00 0.00 C ATOM 376 CD GLU A 27 11.430 0.144 4.789 1.00 0.00 C ATOM 377 OE1 GLU A 27 11.797 1.090 5.515 1.00 0.00 O ATOM 378 OE2 GLU A 27 10.891 -0.892 5.232 1.00 0.00 O ATOM 0 H GLU A 27 12.654 1.749 1.570 1.00 0.00 H new ATOM 0 HA GLU A 27 10.771 0.127 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.361 1.942 3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.584 0.395 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.776 -0.742 2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.575 0.801 3.104 1.00 0.00 H new ATOM 385 N LEU A 28 9.539 3.186 0.626 1.00 0.00 N ATOM 386 CA LEU A 28 8.473 4.023 0.087 1.00 0.00 C ATOM 387 C LEU A 28 9.030 5.052 -0.891 1.00 0.00 C ATOM 388 O LEU A 28 10.129 5.573 -0.699 1.00 0.00 O ATOM 389 CB LEU A 28 7.731 4.732 1.222 1.00 0.00 C ATOM 390 CG LEU A 28 6.675 5.753 0.799 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.575 5.848 1.844 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.314 7.115 0.568 1.00 0.00 C ATOM 0 H LEU A 28 10.264 3.698 1.128 1.00 0.00 H new ATOM 0 HA LEU A 28 7.776 3.379 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.249 3.976 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.465 5.237 1.849 1.00 0.00 H new ATOM 0 HG LEU A 28 6.229 5.419 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.833 6.580 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.098 4.875 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.004 6.158 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.548 7.830 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.787 7.456 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.065 7.036 -0.218 1.00 0.00 H new ATOM 404 N GLN A 29 8.264 5.341 -1.938 1.00 0.00 N ATOM 405 CA GLN A 29 8.681 6.309 -2.946 1.00 0.00 C ATOM 406 C GLN A 29 7.698 7.472 -3.024 1.00 0.00 C ATOM 407 O GLN A 29 6.486 7.282 -2.913 1.00 0.00 O ATOM 408 CB GLN A 29 8.801 5.634 -4.313 1.00 0.00 C ATOM 409 CG GLN A 29 9.711 6.375 -5.280 1.00 0.00 C ATOM 410 CD GLN A 29 9.806 5.694 -6.631 1.00 0.00 C ATOM 411 OE1 GLN A 29 9.347 4.564 -6.803 1.00 0.00 O ATOM 412 NE2 GLN A 29 10.403 6.379 -7.599 1.00 0.00 N ATOM 0 H GLN A 29 7.352 4.919 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 29 9.656 6.701 -2.656 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.178 4.620 -4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.808 5.548 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.341 7.391 -5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.708 6.454 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.769 7.313 -7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.496 5.972 -8.530 1.00 0.00 H new ATOM 421 N VAL A 30 8.227 8.676 -3.214 1.00 0.00 N ATOM 422 CA VAL A 30 7.395 9.871 -3.307 1.00 0.00 C ATOM 423 C VAL A 30 7.663 10.627 -4.604 1.00 0.00 C ATOM 424 O VAL A 30 8.813 10.907 -4.944 1.00 0.00 O ATOM 425 CB VAL A 30 7.635 10.816 -2.115 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.771 12.062 -2.240 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.363 10.097 -0.803 1.00 0.00 C ATOM 0 H VAL A 30 9.228 8.851 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 30 6.358 9.537 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 30 8.680 11.126 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.954 12.718 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.020 12.586 -3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.720 11.775 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.538 10.779 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.328 9.757 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.029 9.239 -0.714 1.00 0.00 H new ATOM 437 N ILE A 31 6.595 10.954 -5.323 1.00 0.00 N ATOM 438 CA ILE A 31 6.715 11.679 -6.581 1.00 0.00 C ATOM 439 C ILE A 31 6.182 13.102 -6.449 1.00 0.00 C ATOM 440 O ILE A 31 4.975 13.317 -6.338 1.00 0.00 O ATOM 441 CB ILE A 31 5.960 10.964 -7.718 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.522 9.556 -7.925 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.051 11.771 -9.004 1.00 0.00 C ATOM 444 CD1 ILE A 31 6.259 8.998 -9.306 1.00 0.00 C ATOM 0 H ILE A 31 5.637 10.728 -5.056 1.00 0.00 H new ATOM 0 HA ILE A 31 7.777 11.712 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 31 4.910 10.879 -7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.597 9.573 -7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.087 8.887 -7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.513 11.253 -9.798 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.609 12.755 -8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.097 11.884 -9.289 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.685 7.998 -9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.184 8.949 -9.480 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.718 9.645 -10.053 1.00 0.00 H new ATOM 569 N TRP A 40 -0.266 14.412 -5.299 1.00 0.00 N ATOM 570 CA TRP A 40 0.969 13.664 -5.092 1.00 0.00 C ATOM 571 C TRP A 40 0.721 12.163 -5.202 1.00 0.00 C ATOM 572 O TRP A 40 -0.396 11.693 -4.987 1.00 0.00 O ATOM 573 CB TRP A 40 1.568 13.995 -3.724 1.00 0.00 C ATOM 574 CG TRP A 40 2.099 15.393 -3.632 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.580 16.508 -4.226 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.253 15.825 -2.903 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.342 17.607 -3.910 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.374 17.215 -3.100 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.195 15.174 -2.103 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.400 17.961 -2.525 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.213 15.915 -1.533 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.308 17.297 -1.746 1.00 0.00 C ATOM 0 HA TRP A 40 1.675 13.955 -5.870 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.806 13.852 -2.957 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.373 13.293 -3.508 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.700 16.524 -4.852 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.167 18.560 -4.227 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.129 14.110 -1.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.476 19.026 -2.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.947 15.421 -0.914 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.114 17.849 -1.286 1.00 0.00 H new ATOM 593 N GLU A 41 1.768 11.417 -5.538 1.00 0.00 N ATOM 594 CA GLU A 41 1.662 9.970 -5.677 1.00 0.00 C ATOM 595 C GLU A 41 2.723 9.263 -4.838 1.00 0.00 C ATOM 596 O GLU A 41 3.902 9.615 -4.884 1.00 0.00 O ATOM 597 CB GLU A 41 1.804 9.564 -7.145 1.00 0.00 C ATOM 598 CG GLU A 41 1.024 8.311 -7.509 1.00 0.00 C ATOM 599 CD GLU A 41 -0.384 8.617 -7.981 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.794 9.794 -7.904 1.00 0.00 O ATOM 601 OE2 GLU A 41 -1.075 7.678 -8.429 1.00 0.00 O ATOM 0 H GLU A 41 2.700 11.791 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 41 0.678 9.668 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.467 10.387 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.859 9.403 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.556 7.771 -8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.977 7.652 -6.642 1.00 0.00 H new ATOM 608 N ILE A 42 2.294 8.266 -4.071 1.00 0.00 N ATOM 609 CA ILE A 42 3.207 7.510 -3.222 1.00 0.00 C ATOM 610 C ILE A 42 3.056 6.010 -3.452 1.00 0.00 C ATOM 611 O ILE A 42 1.948 5.509 -3.648 1.00 0.00 O ATOM 612 CB ILE A 42 2.971 7.815 -1.731 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.096 9.317 -1.469 1.00 0.00 C ATOM 614 CG2 ILE A 42 3.956 7.038 -0.870 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.303 9.790 -0.271 1.00 0.00 C ATOM 0 H ILE A 42 1.321 7.963 -4.020 1.00 0.00 H new ATOM 0 HA ILE A 42 4.217 7.817 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 42 1.961 7.502 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.147 9.565 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.762 9.861 -2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.777 7.264 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.823 5.969 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.974 7.324 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.439 10.864 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.246 9.574 -0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.652 9.274 0.623 1.00 0.00 H new ATOM 627 N TYR A 43 4.177 5.298 -3.426 1.00 0.00 N ATOM 628 CA TYR A 43 4.171 3.854 -3.632 1.00 0.00 C ATOM 629 C TYR A 43 4.913 3.140 -2.507 1.00 0.00 C ATOM 630 O TYR A 43 5.697 3.750 -1.780 1.00 0.00 O ATOM 631 CB TYR A 43 4.807 3.508 -4.979 1.00 0.00 C ATOM 632 CG TYR A 43 4.480 4.497 -6.076 1.00 0.00 C ATOM 633 CD1 TYR A 43 3.162 4.802 -6.392 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.489 5.125 -6.795 1.00 0.00 C ATOM 635 CE1 TYR A 43 2.858 5.704 -7.393 1.00 0.00 C ATOM 636 CE2 TYR A 43 5.195 6.029 -7.797 1.00 0.00 C ATOM 637 CZ TYR A 43 3.878 6.315 -8.092 1.00 0.00 C ATOM 638 OH TYR A 43 3.581 7.215 -9.091 1.00 0.00 O ATOM 0 H TYR A 43 5.102 5.697 -3.264 1.00 0.00 H new ATOM 0 HA TYR A 43 3.135 3.516 -3.630 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.889 3.457 -4.858 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.474 2.516 -5.284 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.361 4.326 -5.846 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.521 4.903 -6.567 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.828 5.929 -7.627 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.991 6.509 -8.346 1.00 0.00 H new ATOM 0 HH TYR A 43 4.185 7.073 -9.850 1.00 0.00 H new ATOM 648 N ILE A 44 4.661 1.842 -2.371 1.00 0.00 N ATOM 649 CA ILE A 44 5.306 1.043 -1.337 1.00 0.00 C ATOM 650 C ILE A 44 4.981 -0.437 -1.504 1.00 0.00 C ATOM 651 O ILE A 44 3.937 -0.799 -2.048 1.00 0.00 O ATOM 652 CB ILE A 44 4.879 1.495 0.072 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.673 0.737 1.137 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.385 1.283 0.266 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.689 1.426 2.484 1.00 0.00 C ATOM 0 H ILE A 44 4.015 1.322 -2.964 1.00 0.00 H new ATOM 0 HA ILE A 44 6.380 1.192 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 44 5.092 2.559 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.249 -0.260 1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.699 0.609 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.098 1.607 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.836 1.864 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.149 0.226 0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.270 0.832 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.140 2.413 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.668 1.530 2.852 1.00 0.00 H new ATOM 667 N THR A 45 5.883 -1.292 -1.030 1.00 0.00 N ATOM 668 CA THR A 45 5.693 -2.734 -1.125 1.00 0.00 C ATOM 669 C THR A 45 5.555 -3.363 0.256 1.00 0.00 C ATOM 670 O THR A 45 6.304 -3.033 1.177 1.00 0.00 O ATOM 671 CB THR A 45 6.862 -3.407 -1.869 1.00 0.00 C ATOM 672 OG1 THR A 45 7.041 -2.797 -3.152 1.00 0.00 O ATOM 673 CG2 THR A 45 6.608 -4.897 -2.042 1.00 0.00 C ATOM 0 H THR A 45 6.752 -1.010 -0.577 1.00 0.00 H new ATOM 0 HA THR A 45 4.773 -2.895 -1.688 1.00 0.00 H new ATOM 0 HB THR A 45 7.766 -3.276 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.787 -3.229 -3.618 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.447 -5.350 -2.570 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.500 -5.364 -1.063 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.694 -5.046 -2.617 1.00 0.00 H new ATOM 681 N LEU A 46 4.596 -4.271 0.395 1.00 0.00 N ATOM 682 CA LEU A 46 4.361 -4.948 1.666 1.00 0.00 C ATOM 683 C LEU A 46 4.303 -6.461 1.475 1.00 0.00 C ATOM 684 O LEU A 46 4.170 -6.950 0.353 1.00 0.00 O ATOM 685 CB LEU A 46 3.059 -4.453 2.297 1.00 0.00 C ATOM 686 CG LEU A 46 3.028 -2.978 2.701 1.00 0.00 C ATOM 687 CD1 LEU A 46 1.594 -2.506 2.887 1.00 0.00 C ATOM 688 CD2 LEU A 46 3.834 -2.756 3.972 1.00 0.00 C ATOM 0 H LEU A 46 3.968 -4.556 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 46 5.192 -4.716 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.246 -4.634 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.855 -5.056 3.182 1.00 0.00 H new ATOM 0 HG LEU A 46 3.481 -2.392 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.591 -1.455 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.047 -2.628 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.115 -3.097 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.801 -1.701 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.411 -3.353 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.869 -3.055 3.804 1.00 0.00 H new ATOM 700 N HIS A 47 4.402 -7.195 2.578 1.00 0.00 N ATOM 701 CA HIS A 47 4.358 -8.653 2.532 1.00 0.00 C ATOM 702 C HIS A 47 3.700 -9.216 3.788 1.00 0.00 C ATOM 703 O HIS A 47 3.728 -8.609 4.858 1.00 0.00 O ATOM 704 CB HIS A 47 5.769 -9.222 2.382 1.00 0.00 C ATOM 705 CG HIS A 47 6.523 -8.656 1.218 1.00 0.00 C ATOM 706 ND1 HIS A 47 6.968 -7.400 0.978 1.00 0.00 N flip ATOM 707 CD2 HIS A 47 6.901 -9.410 0.128 1.00 0.00 C flip ATOM 708 CE1 HIS A 47 7.601 -7.419 -0.241 1.00 0.00 C flip ATOM 709 NE2 HIS A 47 7.547 -8.644 -0.733 1.00 0.00 N flip ATOM 0 H HIS A 47 4.513 -6.805 3.514 1.00 0.00 H new ATOM 0 HA HIS A 47 3.762 -8.947 1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.329 -9.027 3.296 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.705 -10.305 2.271 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.700 -10.463 -0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.067 -6.570 -0.720 1.00 0.00 H new ATOM 0 HE2 HIS A 47 7.937 -8.947 -1.625 1.00 0.00 H new ATOM 871 N VAL A 59 3.877 -13.905 -2.254 1.00 0.00 N ATOM 872 CA VAL A 59 2.865 -12.885 -2.499 1.00 0.00 C ATOM 873 C VAL A 59 3.389 -11.496 -2.150 1.00 0.00 C ATOM 874 O VAL A 59 4.102 -11.321 -1.161 1.00 0.00 O ATOM 875 CB VAL A 59 1.585 -13.157 -1.687 1.00 0.00 C ATOM 876 CG1 VAL A 59 1.927 -13.465 -0.237 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.634 -11.973 -1.779 1.00 0.00 C ATOM 0 HA VAL A 59 2.627 -12.925 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 59 1.086 -14.029 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.010 -13.654 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.567 -14.346 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.450 -12.615 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.265 -12.183 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.122 -11.083 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.363 -11.804 -2.821 1.00 0.00 H new ATOM 887 N CYS A 60 3.032 -10.512 -2.968 1.00 0.00 N ATOM 888 CA CYS A 60 3.467 -9.138 -2.746 1.00 0.00 C ATOM 889 C CYS A 60 2.628 -8.163 -3.567 1.00 0.00 C ATOM 890 O CYS A 60 2.251 -8.456 -4.702 1.00 0.00 O ATOM 891 CB CYS A 60 4.946 -8.985 -3.105 1.00 0.00 C ATOM 892 SG CYS A 60 5.300 -9.168 -4.869 1.00 0.00 S ATOM 0 H CYS A 60 2.443 -10.640 -3.791 1.00 0.00 H new ATOM 0 HA CYS A 60 3.331 -8.906 -1.690 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.289 -8.004 -2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.522 -9.726 -2.551 1.00 0.00 H new ATOM 0 HG CYS A 60 4.215 -8.960 -5.553 1.00 0.00 H new ATOM 898 N PHE A 61 2.338 -7.004 -2.985 1.00 0.00 N ATOM 899 CA PHE A 61 1.542 -5.987 -3.661 1.00 0.00 C ATOM 900 C PHE A 61 2.099 -4.592 -3.392 1.00 0.00 C ATOM 901 O PHE A 61 2.719 -4.347 -2.357 1.00 0.00 O ATOM 902 CB PHE A 61 0.084 -6.063 -3.203 1.00 0.00 C ATOM 903 CG PHE A 61 -0.180 -5.330 -1.919 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.507 -3.983 -1.930 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.102 -5.987 -0.702 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.750 -3.306 -0.750 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.344 -5.315 0.481 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.669 -3.973 0.457 1.00 0.00 C ATOM 0 H PHE A 61 2.643 -6.746 -2.046 1.00 0.00 H new ATOM 0 HA PHE A 61 1.590 -6.177 -4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.556 -5.653 -3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.195 -7.109 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.573 -3.457 -2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.151 -7.037 -0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.003 -2.256 -0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.279 -5.839 1.423 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.859 -3.446 1.380 1.00 0.00 H new ATOM 918 N THR A 62 1.875 -3.681 -4.334 1.00 0.00 N ATOM 919 CA THR A 62 2.356 -2.311 -4.201 1.00 0.00 C ATOM 920 C THR A 62 1.226 -1.369 -3.800 1.00 0.00 C ATOM 921 O THR A 62 0.263 -1.185 -4.545 1.00 0.00 O ATOM 922 CB THR A 62 2.987 -1.808 -5.512 1.00 0.00 C ATOM 923 OG1 THR A 62 4.051 -2.680 -5.910 1.00 0.00 O ATOM 924 CG2 THR A 62 3.520 -0.392 -5.348 1.00 0.00 C ATOM 0 H THR A 62 1.364 -3.867 -5.197 1.00 0.00 H new ATOM 0 HA THR A 62 3.116 -2.317 -3.420 1.00 0.00 H new ATOM 0 HB THR A 62 2.215 -1.802 -6.282 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.446 -2.354 -6.746 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.961 -0.058 -6.287 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.703 0.275 -5.074 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.279 -0.377 -4.565 1.00 0.00 H new ATOM 932 N LEU A 63 1.351 -0.774 -2.619 1.00 0.00 N ATOM 933 CA LEU A 63 0.340 0.152 -2.118 1.00 0.00 C ATOM 934 C LEU A 63 0.525 1.539 -2.723 1.00 0.00 C ATOM 935 O LEU A 63 1.513 2.221 -2.450 1.00 0.00 O ATOM 936 CB LEU A 63 0.407 0.235 -0.592 1.00 0.00 C ATOM 937 CG LEU A 63 -0.917 0.499 0.125 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.773 0.256 1.619 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.394 1.919 -0.142 1.00 0.00 C ATOM 0 H LEU A 63 2.142 -0.916 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.640 -0.225 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.821 -0.700 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.107 1.025 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.663 -0.193 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.726 0.449 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.478 -0.779 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.013 0.923 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.338 2.089 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.649 2.627 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.538 2.059 -1.213 1.00 0.00 H new ATOM 951 N VAL A 64 -0.435 1.954 -3.545 1.00 0.00 N ATOM 952 CA VAL A 64 -0.380 3.262 -4.187 1.00 0.00 C ATOM 953 C VAL A 64 -1.364 4.231 -3.542 1.00 0.00 C ATOM 954 O VAL A 64 -2.557 3.944 -3.438 1.00 0.00 O ATOM 955 CB VAL A 64 -0.686 3.162 -5.693 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.650 4.539 -6.338 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.294 2.219 -6.374 1.00 0.00 C ATOM 0 H VAL A 64 -1.260 1.403 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 64 0.635 3.637 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.690 2.756 -5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.869 4.448 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.395 5.181 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.340 4.976 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.063 2.160 -7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.309 2.593 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.213 1.227 -5.930 1.00 0.00 H new ATOM 967 N LEU A 65 -0.857 5.381 -3.111 1.00 0.00 N ATOM 968 CA LEU A 65 -1.691 6.396 -2.477 1.00 0.00 C ATOM 969 C LEU A 65 -1.758 7.658 -3.331 1.00 0.00 C ATOM 970 O LEU A 65 -0.736 8.147 -3.812 1.00 0.00 O ATOM 971 CB LEU A 65 -1.149 6.734 -1.087 1.00 0.00 C ATOM 972 CG LEU A 65 -1.273 5.634 -0.032 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.032 4.754 -0.030 1.00 0.00 C ATOM 974 CD2 LEU A 65 -1.501 6.240 1.345 1.00 0.00 C ATOM 0 H LEU A 65 0.128 5.634 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.699 5.993 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.096 6.999 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.669 7.620 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.133 5.013 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.138 3.977 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.088 4.292 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.845 5.362 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.587 5.443 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.660 6.884 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.419 6.827 1.337 1.00 0.00 H new ATOM 986 N GLN A 66 -2.967 8.180 -3.512 1.00 0.00 N ATOM 987 CA GLN A 66 -3.166 9.387 -4.306 1.00 0.00 C ATOM 988 C GLN A 66 -3.646 10.541 -3.433 1.00 0.00 C ATOM 989 O GLN A 66 -4.841 10.681 -3.173 1.00 0.00 O ATOM 990 CB GLN A 66 -4.175 9.125 -5.426 1.00 0.00 C ATOM 991 CG GLN A 66 -3.538 8.631 -6.715 1.00 0.00 C ATOM 992 CD GLN A 66 -3.403 7.122 -6.758 1.00 0.00 C ATOM 993 OE1 GLN A 66 -2.825 6.513 -5.858 1.00 0.00 O ATOM 994 NE2 GLN A 66 -3.937 6.509 -7.808 1.00 0.00 N ATOM 0 H GLN A 66 -3.823 7.787 -3.120 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.208 9.664 -4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.902 8.388 -5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.725 10.044 -5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.138 8.963 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.553 9.083 -6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.407 7.053 -8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.877 5.494 -7.891 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.706 11.365 -2.981 1.00 0.00 N ATOM 1004 CA VAL A 67 -3.033 12.508 -2.137 1.00 0.00 C ATOM 1005 C VAL A 67 -3.420 13.719 -2.978 1.00 0.00 C ATOM 1006 O VAL A 67 -2.591 14.327 -3.655 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.852 12.887 -1.224 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.220 14.067 -0.337 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.422 11.693 -0.385 1.00 0.00 C ATOM 0 H VAL A 67 -1.712 11.262 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.881 12.213 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.011 13.183 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.373 14.320 0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.475 14.925 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.076 13.802 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.587 11.979 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.256 11.364 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.114 10.879 -1.041 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.711 14.081 -2.935 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.239 15.224 -3.686 1.00 0.00 C ATOM 1021 C PRO A 68 -4.746 16.557 -3.135 1.00 0.00 C ATOM 1022 O PRO A 68 -3.812 16.601 -2.334 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.754 15.098 -3.506 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.922 14.346 -2.230 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.755 13.402 -2.149 1.00 0.00 C ATOM 0 HA PRO A 68 -4.917 15.211 -4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.229 16.077 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.209 14.567 -4.342 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.936 15.024 -1.376 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.866 13.801 -2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.440 13.240 -1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.999 12.425 -2.565 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.380 17.642 -3.568 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.007 18.976 -3.116 1.00 0.00 C ATOM 1035 C ALA A 69 -5.704 19.326 -1.805 1.00 0.00 C ATOM 1036 O ALA A 69 -5.121 19.973 -0.936 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.338 20.008 -4.184 1.00 0.00 C ATOM 0 H ALA A 69 -6.155 17.623 -4.231 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.931 18.985 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.054 21.000 -3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.789 19.776 -5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.408 19.989 -4.389 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.954 18.895 -1.672 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.730 19.165 -0.467 1.00 0.00 C ATOM 1045 C GLU A 70 -7.024 18.616 0.770 1.00 0.00 C ATOM 1046 O GLU A 70 -6.932 19.290 1.796 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.127 18.552 -0.585 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.128 19.451 -1.291 1.00 0.00 C ATOM 1049 CD GLU A 70 -9.851 19.579 -2.776 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -10.133 18.614 -3.518 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -9.352 20.643 -3.198 1.00 0.00 O ATOM 0 H GLU A 70 -7.451 18.358 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.823 20.246 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.056 17.608 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.499 18.322 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.133 19.054 -1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.107 20.441 -0.835 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.529 17.388 0.664 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.835 16.746 1.773 1.00 0.00 C ATOM 1060 C TYR A 71 -5.170 17.783 2.673 1.00 0.00 C ATOM 1061 O TYR A 71 -4.624 18.785 2.211 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.787 15.764 1.247 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.934 15.148 2.333 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -3.046 15.922 3.069 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -4.018 13.791 2.623 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.265 15.363 4.062 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.242 13.224 3.615 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.366 14.014 4.331 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.591 13.453 5.320 1.00 0.00 O ATOM 0 H TYR A 71 -6.596 16.817 -0.179 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.572 16.200 2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.290 14.969 0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.140 16.281 0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.965 16.979 2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.701 13.170 2.063 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.579 15.979 4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.320 12.168 3.829 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.126 13.348 6.134 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.214 17.537 3.991 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.861 16.347 4.553 1.00 0.00 C ATOM 1081 C PRO A 72 -7.378 16.390 4.410 1.00 0.00 C ATOM 1082 O PRO A 72 -8.043 15.354 4.424 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.461 16.390 6.030 1.00 0.00 C ATOM 1084 CG PRO A 72 -5.195 17.829 6.308 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.637 18.401 5.034 1.00 0.00 C ATOM 0 HA PRO A 72 -5.554 15.435 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.257 16.004 6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.577 15.780 6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.109 18.345 6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.488 17.943 7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.929 19.443 4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.547 18.371 5.023 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.921 17.596 4.272 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.361 17.774 4.126 1.00 0.00 C ATOM 1095 C HIS A 73 -9.985 16.584 3.403 1.00 0.00 C ATOM 1096 O HIS A 73 -11.073 16.131 3.758 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.662 19.064 3.363 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.518 20.300 4.195 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -10.580 20.906 4.834 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -8.428 21.044 4.495 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -10.149 21.969 5.488 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -8.846 22.075 5.299 1.00 0.00 N ATOM 0 H HIS A 73 -7.385 18.464 4.258 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.797 17.840 5.123 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.993 19.133 2.505 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.678 19.016 2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.417 20.861 4.163 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.758 22.638 6.077 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -8.248 22.804 5.687 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.289 16.083 2.387 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.776 14.947 1.614 1.00 0.00 C ATOM 1113 C GLU A 74 -8.871 13.733 1.802 1.00 0.00 C ATOM 1114 O GLU A 74 -7.645 13.850 1.791 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.860 15.309 0.130 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.939 14.549 -0.622 1.00 0.00 C ATOM 1117 CD GLU A 74 -11.163 13.155 -0.070 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -11.873 13.027 0.950 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -10.629 12.191 -0.658 1.00 0.00 O ATOM 0 H GLU A 74 -8.386 16.446 2.080 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.773 14.695 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.048 16.379 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.896 15.112 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.873 15.109 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.663 14.479 -1.674 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.484 12.566 1.975 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.735 11.329 2.165 1.00 0.00 C ATOM 1128 C VAL A 75 -8.034 10.909 0.878 1.00 0.00 C ATOM 1129 O VAL A 75 -8.571 11.039 -0.222 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.651 10.184 2.635 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.323 10.545 3.951 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.687 9.860 1.569 1.00 0.00 C ATOM 0 H VAL A 75 -10.497 12.451 1.987 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.989 11.526 2.935 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.041 9.296 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.967 9.724 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.562 10.724 4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.922 11.446 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.326 9.049 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.296 10.743 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.183 9.556 0.652 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.805 10.390 1.016 1.00 0.00 N ATOM 1143 CA PRO A 76 -6.003 9.938 -0.125 1.00 0.00 C ATOM 1144 C PRO A 76 -6.570 8.676 -0.768 1.00 0.00 C ATOM 1145 O PRO A 76 -6.857 7.696 -0.082 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.633 9.653 0.494 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.918 9.355 1.926 1.00 0.00 C ATOM 1148 CD PRO A 76 -6.103 10.205 2.297 1.00 0.00 C ATOM 0 HA PRO A 76 -5.978 10.678 -0.924 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.145 8.811 0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.967 10.510 0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.137 8.297 2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.058 9.590 2.552 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.736 9.712 3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.795 11.158 2.728 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.727 8.709 -2.087 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.259 7.567 -2.821 1.00 0.00 C ATOM 1158 C GLN A 77 -6.306 6.379 -2.745 1.00 0.00 C ATOM 1159 O GLN A 77 -5.200 6.422 -3.283 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.507 7.944 -4.283 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.901 8.491 -4.542 1.00 0.00 C ATOM 1162 CD GLN A 77 -9.993 7.541 -4.092 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -10.185 6.474 -4.677 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -10.717 7.924 -3.047 1.00 0.00 N ATOM 0 H GLN A 77 -6.494 9.513 -2.669 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.205 7.281 -2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.771 8.688 -4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.349 7.065 -4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.016 9.443 -4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.016 8.693 -5.607 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.524 8.816 -2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.466 7.326 -2.699 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.743 5.319 -2.072 1.00 0.00 N ATOM 1174 CA ILE A 78 -5.929 4.119 -1.926 1.00 0.00 C ATOM 1175 C ILE A 78 -6.147 3.162 -3.093 1.00 0.00 C ATOM 1176 O ILE A 78 -7.282 2.846 -3.447 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.241 3.384 -0.609 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -5.892 4.268 0.589 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.480 2.068 -0.544 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.042 5.131 1.059 1.00 0.00 C ATOM 0 H ILE A 78 -7.656 5.267 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.888 4.443 -1.914 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.308 3.166 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.563 3.635 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.052 4.910 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.711 1.560 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.774 1.436 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.409 2.264 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.722 5.731 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.357 5.789 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.876 4.495 1.356 1.00 0.00 H new ATOM 1192 N SER A 79 -5.050 2.702 -3.687 1.00 0.00 N ATOM 1193 CA SER A 79 -5.120 1.782 -4.816 1.00 0.00 C ATOM 1194 C SER A 79 -3.976 0.773 -4.766 1.00 0.00 C ATOM 1195 O SER A 79 -2.955 1.007 -4.119 1.00 0.00 O ATOM 1196 CB SER A 79 -5.076 2.556 -6.135 1.00 0.00 C ATOM 1197 OG SER A 79 -3.858 3.269 -6.267 1.00 0.00 O ATOM 0 H SER A 79 -4.102 2.952 -3.405 1.00 0.00 H new ATOM 0 HA SER A 79 -6.063 1.239 -4.753 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.189 1.865 -6.970 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.915 3.251 -6.181 1.00 0.00 H new ATOM 0 HG SER A 79 -3.783 3.622 -7.178 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.156 -0.349 -5.454 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.140 -1.394 -5.490 1.00 0.00 C ATOM 1205 C ILE A 80 -2.747 -1.729 -6.925 1.00 0.00 C ATOM 1206 O ILE A 80 -3.602 -1.843 -7.803 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.626 -2.676 -4.790 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -3.965 -2.387 -3.326 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.569 -3.767 -4.888 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.706 -3.515 -2.643 1.00 0.00 C ATOM 0 H ILE A 80 -4.996 -0.558 -5.994 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.271 -1.007 -4.958 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.529 -3.025 -5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.043 -2.186 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.570 -1.482 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.928 -4.667 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.371 -3.989 -5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.650 -3.428 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.913 -3.241 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.645 -3.701 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.094 -4.417 -2.664 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.448 -1.888 -7.155 1.00 0.00 N ATOM 1223 CA ARG A 81 -0.941 -2.212 -8.483 1.00 0.00 C ATOM 1224 C ARG A 81 -0.156 -3.520 -8.462 1.00 0.00 C ATOM 1225 O ARG A 81 0.330 -3.947 -7.415 1.00 0.00 O ATOM 1226 CB ARG A 81 -0.053 -1.080 -9.003 1.00 0.00 C ATOM 1227 CG ARG A 81 -0.812 -0.019 -9.783 1.00 0.00 C ATOM 1228 CD ARG A 81 0.120 1.062 -10.306 1.00 0.00 C ATOM 1229 NE ARG A 81 -0.544 1.942 -11.264 1.00 0.00 N ATOM 1230 CZ ARG A 81 -0.037 3.099 -11.674 1.00 0.00 C ATOM 1231 NH1 ARG A 81 1.136 3.512 -11.213 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -0.702 3.844 -12.548 1.00 0.00 N ATOM 0 H ARG A 81 -0.727 -1.798 -6.439 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.794 -2.332 -9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.450 -0.608 -8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.723 -1.502 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.335 -0.485 -10.618 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.570 0.432 -9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.494 1.653 -9.470 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.984 0.597 -10.780 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.447 1.652 -11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.650 2.941 -10.542 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.524 4.401 -11.529 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.604 3.528 -12.906 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.312 4.732 -12.862 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.036 -4.152 -9.625 1.00 0.00 N ATOM 1247 CA ASN A 82 0.690 -5.412 -9.739 1.00 0.00 C ATOM 1248 C ASN A 82 0.371 -6.331 -8.564 1.00 0.00 C ATOM 1249 O ASN A 82 1.262 -6.848 -7.889 1.00 0.00 O ATOM 1250 CB ASN A 82 2.196 -5.153 -9.806 1.00 0.00 C ATOM 1251 CG ASN A 82 2.668 -4.843 -11.213 1.00 0.00 C ATOM 1252 OD1 ASN A 82 1.916 -4.985 -12.177 1.00 0.00 O ATOM 1253 ND2 ASN A 82 3.919 -4.416 -11.337 1.00 0.00 N ATOM 0 H ASN A 82 -0.432 -3.813 -10.502 1.00 0.00 H new ATOM 0 HA ASN A 82 0.373 -5.904 -10.658 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.448 -4.320 -9.150 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.729 -6.027 -9.431 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.292 -4.191 -12.259 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.507 -4.313 -10.510 1.00 0.00 H new ATOM 1260 N PRO A 83 -0.929 -6.541 -8.313 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.395 -7.400 -7.220 1.00 0.00 C ATOM 1262 C PRO A 83 -1.106 -8.875 -7.477 1.00 0.00 C ATOM 1263 O PRO A 83 -1.945 -9.596 -8.018 1.00 0.00 O ATOM 1264 CB PRO A 83 -2.905 -7.148 -7.190 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.244 -6.714 -8.574 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.045 -5.957 -9.076 1.00 0.00 C ATOM 0 HA PRO A 83 -0.892 -7.172 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.451 -8.050 -6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.164 -6.381 -6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.458 -7.572 -9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.133 -6.084 -8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.909 -6.086 -10.150 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.140 -4.887 -8.893 1.00 0.00 H new ATOM 1274 N ARG A 84 0.085 -9.316 -7.087 1.00 0.00 N ATOM 1275 CA ARG A 84 0.484 -10.706 -7.277 1.00 0.00 C ATOM 1276 C ARG A 84 0.397 -11.480 -5.965 1.00 0.00 C ATOM 1277 O ARG A 84 0.599 -10.922 -4.888 1.00 0.00 O ATOM 1278 CB ARG A 84 1.909 -10.778 -7.831 1.00 0.00 C ATOM 1279 CG ARG A 84 2.495 -12.180 -7.820 1.00 0.00 C ATOM 1280 CD ARG A 84 2.025 -12.990 -9.019 1.00 0.00 C ATOM 1281 NE ARG A 84 1.951 -14.417 -8.720 1.00 0.00 N ATOM 1282 CZ ARG A 84 1.484 -15.323 -9.571 1.00 0.00 C ATOM 1283 NH1 ARG A 84 1.051 -14.952 -10.768 1.00 0.00 N ATOM 1284 NH2 ARG A 84 1.450 -16.604 -9.226 1.00 0.00 N ATOM 0 H ARG A 84 0.790 -8.732 -6.638 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.201 -11.161 -7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.912 -10.400 -8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.551 -10.120 -7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.583 -12.121 -7.824 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.207 -12.689 -6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.044 -12.634 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.706 -12.830 -9.855 1.00 0.00 H new ATOM 0 HE ARG A 84 2.276 -14.736 -7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.076 -13.968 -11.037 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.693 -15.650 -11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.783 -16.893 -8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.091 -17.299 -9.881 1.00 0.00 H new ATOM 1298 N GLY A 85 0.094 -12.771 -6.065 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.016 -13.601 -4.880 1.00 0.00 C ATOM 1300 C GLY A 85 -1.390 -13.527 -4.245 1.00 0.00 C ATOM 1301 O GLY A 85 -1.887 -14.517 -3.706 1.00 0.00 O ATOM 0 H GLY A 85 -0.077 -13.256 -6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.204 -14.636 -5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.734 -13.291 -4.152 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.006 -12.352 -4.307 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.332 -12.152 -3.732 1.00 0.00 C ATOM 1307 C LEU A 86 -4.421 -12.444 -4.760 1.00 0.00 C ATOM 1308 O LEU A 86 -4.135 -12.664 -5.937 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.474 -10.720 -3.215 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.481 -10.295 -2.132 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.226 -8.797 -2.199 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -2.992 -10.691 -0.755 1.00 0.00 C ATOM 0 H LEU A 86 -1.609 -11.523 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.449 -12.846 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.373 -10.039 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.483 -10.595 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.537 -10.811 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.517 -8.513 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.815 -8.541 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.163 -8.261 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.273 -10.381 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.949 -10.204 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.121 -11.773 -0.712 1.00 0.00 H new ATOM 1324 N SER A 87 -5.670 -12.442 -4.307 1.00 0.00 N ATOM 1325 CA SER A 87 -6.802 -12.709 -5.187 1.00 0.00 C ATOM 1326 C SER A 87 -7.777 -11.535 -5.188 1.00 0.00 C ATOM 1327 O SER A 87 -7.775 -10.711 -4.273 1.00 0.00 O ATOM 1328 CB SER A 87 -7.524 -13.985 -4.752 1.00 0.00 C ATOM 1329 OG SER A 87 -7.878 -13.929 -3.381 1.00 0.00 O ATOM 0 H SER A 87 -5.924 -12.259 -3.336 1.00 0.00 H new ATOM 0 HA SER A 87 -6.420 -12.844 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.420 -14.124 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.883 -14.848 -4.930 1.00 0.00 H new ATOM 0 HG SER A 87 -8.340 -14.756 -3.128 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.610 -11.467 -6.221 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.591 -10.395 -6.342 1.00 0.00 C ATOM 1337 C ASP A 88 -10.239 -10.096 -4.994 1.00 0.00 C ATOM 1338 O ASP A 88 -10.255 -8.951 -4.544 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.665 -10.772 -7.365 1.00 0.00 C ATOM 1340 CG ASP A 88 -11.331 -9.556 -7.979 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -11.495 -8.544 -7.265 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -11.687 -9.616 -9.174 1.00 0.00 O ATOM 0 H ASP A 88 -8.625 -12.141 -6.986 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.073 -9.498 -6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.215 -11.374 -8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.421 -11.392 -6.883 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.771 -11.133 -4.355 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.421 -10.980 -3.059 1.00 0.00 C ATOM 1349 C GLU A 89 -10.485 -10.310 -2.057 1.00 0.00 C ATOM 1350 O GLU A 89 -10.786 -9.238 -1.533 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.869 -12.342 -2.523 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.108 -12.889 -3.212 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.429 -14.310 -2.792 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -13.529 -14.561 -1.573 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -13.580 -15.172 -3.683 1.00 0.00 O ATOM 0 H GLU A 89 -10.765 -12.088 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.297 -10.345 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.053 -13.055 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.066 -12.256 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.959 -12.246 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.963 -12.857 -4.292 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.350 -10.951 -1.796 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.371 -10.418 -0.856 1.00 0.00 C ATOM 1364 C GLN A 90 -8.097 -8.944 -1.133 1.00 0.00 C ATOM 1365 O GLN A 90 -8.306 -8.090 -0.270 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.069 -11.215 -0.937 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.189 -12.634 -0.402 1.00 0.00 C ATOM 1368 CD GLN A 90 -6.900 -12.724 1.083 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -7.815 -12.814 1.901 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.621 -12.700 1.440 1.00 0.00 N ATOM 0 H GLN A 90 -9.086 -11.839 -2.222 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.783 -10.509 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.741 -11.254 -1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.295 -10.689 -0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.195 -13.007 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.499 -13.282 -0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.894 -12.624 0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.366 -12.757 2.426 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.628 -8.651 -2.342 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.326 -7.280 -2.732 1.00 0.00 C ATOM 1381 C ILE A 91 -8.362 -6.309 -2.176 1.00 0.00 C ATOM 1382 O ILE A 91 -8.062 -5.498 -1.300 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.268 -7.131 -4.264 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.178 -8.033 -4.846 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -7.021 -5.679 -4.646 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.381 -8.360 -6.308 1.00 0.00 C ATOM 0 H ILE A 91 -7.449 -9.345 -3.068 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.348 -7.041 -2.315 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.227 -7.438 -4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.211 -7.546 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.143 -8.961 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.983 -5.590 -5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.829 -5.058 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.074 -5.347 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.571 -9.003 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.333 -8.875 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.386 -7.438 -6.890 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.584 -6.398 -2.691 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.667 -5.529 -2.245 1.00 0.00 C ATOM 1400 C HIS A 92 -10.673 -5.406 -0.724 1.00 0.00 C ATOM 1401 O HIS A 92 -10.665 -4.301 -0.179 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.014 -6.066 -2.730 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.035 -4.997 -2.967 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.393 -5.240 -2.971 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -12.891 -3.673 -3.206 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -15.039 -4.112 -3.205 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.151 -3.145 -3.351 1.00 0.00 N ATOM 0 H HIS A 92 -9.849 -7.063 -3.418 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.504 -4.539 -2.672 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.862 -6.623 -3.655 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.401 -6.770 -1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.959 -3.132 -3.271 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.111 -3.999 -3.267 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.366 -2.166 -3.540 1.00 0.00 H new ATOM 1416 N THR A 93 -10.688 -6.547 -0.043 1.00 0.00 N ATOM 1417 CA THR A 93 -10.697 -6.568 1.415 1.00 0.00 C ATOM 1418 C THR A 93 -9.687 -5.579 1.984 1.00 0.00 C ATOM 1419 O THR A 93 -9.966 -4.887 2.964 1.00 0.00 O ATOM 1420 CB THR A 93 -10.385 -7.975 1.959 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.286 -8.931 1.390 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.496 -8.005 3.476 1.00 0.00 C ATOM 0 H THR A 93 -10.694 -7.470 -0.478 1.00 0.00 H new ATOM 0 HA THR A 93 -11.700 -6.280 1.730 1.00 0.00 H new ATOM 0 HB THR A 93 -9.363 -8.230 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.018 -9.124 0.467 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.271 -9.008 3.837 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.788 -7.297 3.907 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.509 -7.731 3.772 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.512 -5.517 1.366 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.461 -4.611 1.811 1.00 0.00 C ATOM 1432 C ILE A 94 -7.877 -3.155 1.630 1.00 0.00 C ATOM 1433 O ILE A 94 -7.623 -2.314 2.493 1.00 0.00 O ATOM 1434 CB ILE A 94 -6.146 -4.856 1.048 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.732 -6.325 1.160 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -5.048 -3.948 1.581 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.603 -6.707 0.229 1.00 0.00 C ATOM 0 H ILE A 94 -8.264 -6.084 0.555 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.300 -4.811 2.870 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.305 -4.622 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.431 -6.532 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.596 -6.955 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.125 -4.133 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.344 -2.907 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.888 -4.153 2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.362 -7.762 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.907 -6.532 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.724 -6.103 0.455 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.519 -2.865 0.504 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.974 -1.510 0.210 1.00 0.00 C ATOM 1451 C LEU A 95 -10.073 -1.083 1.177 1.00 0.00 C ATOM 1452 O LEU A 95 -10.114 0.067 1.615 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.483 -1.423 -1.230 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.414 -1.456 -2.323 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -8.038 -2.891 -2.659 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -8.899 -0.725 -3.566 1.00 0.00 C ATOM 0 H LEU A 95 -8.736 -3.549 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.127 -0.834 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.174 -2.249 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.055 -0.501 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.525 -0.947 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.276 -2.895 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.648 -3.383 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.920 -3.425 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.125 -0.759 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.803 -1.205 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.117 0.313 -3.316 1.00 0.00 H new ATOM 1468 N GLN A 96 -10.960 -2.016 1.507 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.059 -1.735 2.423 1.00 0.00 C ATOM 1470 C GLN A 96 -11.539 -1.160 3.736 1.00 0.00 C ATOM 1471 O GLN A 96 -12.040 -0.146 4.223 1.00 0.00 O ATOM 1472 CB GLN A 96 -12.863 -3.008 2.693 1.00 0.00 C ATOM 1473 CG GLN A 96 -13.330 -3.712 1.430 1.00 0.00 C ATOM 1474 CD GLN A 96 -14.679 -3.214 0.948 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -15.721 -3.753 1.321 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -14.665 -2.180 0.116 1.00 0.00 N ATOM 0 H GLN A 96 -10.939 -2.973 1.154 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.709 -0.995 1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -12.253 -3.696 3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.732 -2.757 3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -12.591 -3.566 0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -13.389 -4.784 1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.777 -1.765 -0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -15.542 -1.801 -0.241 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.531 -1.813 4.306 1.00 0.00 N ATOM 1486 CA VAL A 97 -9.943 -1.366 5.562 1.00 0.00 C ATOM 1487 C VAL A 97 -9.275 -0.005 5.403 1.00 0.00 C ATOM 1488 O VAL A 97 -9.753 0.999 5.932 1.00 0.00 O ATOM 1489 CB VAL A 97 -8.905 -2.377 6.087 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.269 -1.871 7.373 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -9.549 -3.738 6.301 1.00 0.00 C ATOM 0 H VAL A 97 -10.105 -2.654 3.917 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.758 -1.286 6.282 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.119 -2.485 5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.539 -2.598 7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.771 -0.920 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.041 -1.732 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.802 -4.440 6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.356 -3.648 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.952 -4.103 5.356 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.167 0.022 4.670 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.433 1.261 4.439 1.00 0.00 C ATOM 1503 C LEU A 98 -8.389 2.421 4.181 1.00 0.00 C ATOM 1504 O LEU A 98 -8.308 3.462 4.832 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.479 1.098 3.254 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.434 -0.011 3.381 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.834 -0.338 2.022 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.344 0.393 4.364 1.00 0.00 C ATOM 0 H LEU A 98 -7.758 -0.800 4.226 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.855 1.484 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.072 0.910 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.959 2.043 3.099 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.926 -0.905 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.093 -1.129 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.622 -0.671 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.357 0.552 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.609 -0.408 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.855 1.301 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.787 0.576 5.343 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.296 2.233 3.228 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.256 3.271 2.902 1.00 0.00 C ATOM 1522 C GLY A 99 -10.801 3.965 4.135 1.00 0.00 C ATOM 1523 O GLY A 99 -10.717 5.187 4.257 1.00 0.00 O ATOM 0 H GLY A 99 -9.383 1.380 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.783 4.008 2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.082 2.835 2.340 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.363 3.183 5.052 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.925 3.730 6.282 1.00 0.00 C ATOM 1529 C HIS A 100 -10.841 4.395 7.126 1.00 0.00 C ATOM 1530 O HIS A 100 -10.949 5.569 7.481 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.611 2.627 7.089 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.762 2.954 8.542 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -13.277 4.150 8.995 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -12.464 2.232 9.648 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -13.288 4.151 10.316 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -12.800 2.998 10.737 1.00 0.00 N ATOM 0 H HIS A 100 -11.441 2.170 4.967 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.664 4.484 6.011 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.596 2.436 6.664 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -12.037 1.705 6.990 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -12.041 1.239 9.670 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.637 4.957 10.945 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -12.691 2.722 11.713 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.797 3.636 7.444 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.694 4.152 8.246 1.00 0.00 C ATOM 1547 C VAL A 101 -8.321 5.567 7.822 1.00 0.00 C ATOM 1548 O VAL A 101 -8.028 6.421 8.659 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.451 3.249 8.136 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.294 3.835 8.931 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.772 1.839 8.606 1.00 0.00 C ATOM 0 H VAL A 101 -9.692 2.662 7.159 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.034 4.165 9.282 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.152 3.198 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.424 3.184 8.842 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.049 4.823 8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.579 3.919 9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.882 1.216 8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.097 1.867 9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.567 1.422 7.988 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.333 5.810 6.515 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.999 7.124 5.979 1.00 0.00 C ATOM 1563 C ALA A 102 -8.783 8.222 6.688 1.00 0.00 C ATOM 1564 O ALA A 102 -8.201 9.140 7.266 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.265 7.166 4.481 1.00 0.00 C ATOM 0 H ALA A 102 -8.570 5.114 5.808 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.938 7.301 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.011 8.153 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.655 6.413 3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.319 6.963 4.293 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.107 8.123 6.640 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.972 9.108 7.279 1.00 0.00 C ATOM 1573 C LYS A 103 -10.716 9.163 8.782 1.00 0.00 C ATOM 1574 O LYS A 103 -10.646 10.242 9.369 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.441 8.775 7.013 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.830 8.865 5.547 1.00 0.00 C ATOM 1577 CD LYS A 103 -14.180 8.220 5.287 1.00 0.00 C ATOM 1578 CE LYS A 103 -14.037 6.744 4.947 1.00 0.00 C ATOM 1579 NZ LYS A 103 -15.342 6.131 4.577 1.00 0.00 N ATOM 0 H LYS A 103 -10.605 7.370 6.165 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.745 10.085 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.647 7.767 7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.069 9.455 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.861 9.911 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.069 8.377 4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.813 8.332 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.679 8.737 4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.334 6.628 4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.616 6.214 5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.202 5.125 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.005 6.219 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.732 6.620 3.746 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.577 7.994 9.397 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.325 7.910 10.831 1.00 0.00 C ATOM 1595 C ALA A 104 -9.120 8.755 11.227 1.00 0.00 C ATOM 1596 O ALA A 104 -8.910 9.041 12.405 1.00 0.00 O ATOM 1597 CB ALA A 104 -10.116 6.461 11.246 1.00 0.00 C ATOM 0 H ALA A 104 -10.635 7.091 8.925 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.198 8.303 11.352 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.929 6.413 12.319 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.008 5.882 11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.261 6.049 10.710 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.329 9.152 10.234 1.00 0.00 N ATOM 1604 CA GLY A 105 -7.153 9.960 10.501 1.00 0.00 C ATOM 1605 C GLY A 105 -7.111 11.219 9.656 1.00 0.00 C ATOM 1606 O GLY A 105 -6.061 11.585 9.126 1.00 0.00 O ATOM 0 H GLY A 105 -8.482 8.929 9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.135 10.233 11.556 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.258 9.368 10.310 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.255 11.882 9.528 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.346 13.106 8.740 1.00 0.00 C ATOM 1612 C LEU A 106 -7.979 14.324 9.582 1.00 0.00 C ATOM 1613 O LEU A 106 -8.073 14.295 10.808 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.758 13.269 8.175 1.00 0.00 C ATOM 1615 CG LEU A 106 -10.001 12.665 6.792 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.492 12.525 6.526 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.343 13.515 5.715 1.00 0.00 C ATOM 0 H LEU A 106 -9.133 11.592 9.960 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.638 13.031 7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.462 12.819 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.989 14.333 8.130 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.553 11.672 6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.646 12.093 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.936 11.874 7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.963 13.507 6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.527 13.070 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.761 14.521 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.269 13.564 5.896 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.560 15.395 8.914 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.188 16.609 9.616 1.00 0.00 C ATOM 1631 C GLY A 107 -5.708 16.660 9.940 1.00 0.00 C ATOM 1632 O GLY A 107 -5.126 17.739 10.057 1.00 0.00 O ATOM 0 H GLY A 107 -7.472 15.443 7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.454 17.473 9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.762 16.681 10.540 1.00 0.00 H new ATOM 1636 N THR A 108 -5.095 15.489 10.089 1.00 0.00 N ATOM 1637 CA THR A 108 -3.675 15.404 10.404 1.00 0.00 C ATOM 1638 C THR A 108 -3.000 14.294 9.607 1.00 0.00 C ATOM 1639 O THR A 108 -3.661 13.536 8.898 1.00 0.00 O ATOM 1640 CB THR A 108 -3.447 15.153 11.907 1.00 0.00 C ATOM 1641 OG1 THR A 108 -4.225 14.030 12.339 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.822 16.380 12.724 1.00 0.00 C ATOM 0 H THR A 108 -5.561 14.586 9.996 1.00 0.00 H new ATOM 0 HA THR A 108 -3.233 16.363 10.132 1.00 0.00 H new ATOM 0 HB THR A 108 -2.389 14.943 12.062 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.074 13.875 13.295 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.652 16.179 13.782 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.209 17.226 12.413 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.874 16.616 12.564 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.679 14.204 9.727 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.915 13.185 9.020 1.00 0.00 C ATOM 1652 C ALA A 109 -1.591 11.822 9.123 1.00 0.00 C ATOM 1653 O ALA A 109 -1.981 11.393 10.209 1.00 0.00 O ATOM 1654 CB ALA A 109 0.504 13.115 9.565 1.00 0.00 C ATOM 0 H ALA A 109 -1.116 14.825 10.308 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.874 13.463 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.063 12.349 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.992 14.081 9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.475 12.865 10.626 1.00 0.00 H new ATOM 1660 N MET A 110 -1.726 11.146 7.987 1.00 0.00 N ATOM 1661 CA MET A 110 -2.355 9.830 7.951 1.00 0.00 C ATOM 1662 C MET A 110 -1.507 8.844 7.153 1.00 0.00 C ATOM 1663 O MET A 110 -1.437 7.660 7.485 1.00 0.00 O ATOM 1664 CB MET A 110 -3.755 9.927 7.341 1.00 0.00 C ATOM 1665 CG MET A 110 -3.845 10.901 6.178 1.00 0.00 C ATOM 1666 SD MET A 110 -5.364 10.706 5.225 1.00 0.00 S ATOM 1667 CE MET A 110 -6.264 12.174 5.719 1.00 0.00 C ATOM 0 H MET A 110 -1.409 11.487 7.080 1.00 0.00 H new ATOM 0 HA MET A 110 -2.437 9.466 8.975 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.063 8.938 7.001 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.459 10.232 8.115 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.787 11.921 6.558 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.987 10.757 5.521 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.226 11.886 6.142 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.688 12.720 6.466 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.426 12.811 4.850 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.866 9.339 6.100 1.00 0.00 N ATOM 1678 CA LEU A 111 -0.023 8.501 5.255 1.00 0.00 C ATOM 1679 C LEU A 111 0.680 7.428 6.080 1.00 0.00 C ATOM 1680 O LEU A 111 0.495 6.233 5.848 1.00 0.00 O ATOM 1681 CB LEU A 111 1.013 9.358 4.524 1.00 0.00 C ATOM 1682 CG LEU A 111 0.461 10.528 3.709 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.593 11.418 3.218 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.367 10.020 2.538 1.00 0.00 C ATOM 0 H LEU A 111 -0.914 10.316 5.811 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.662 8.009 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.713 9.752 5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.583 8.712 3.856 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.186 11.121 4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.181 12.245 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.143 11.811 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.267 10.836 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.751 10.867 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.257 9.403 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.201 9.426 2.912 1.00 0.00 H new ATOM 1696 N TYR A 112 1.483 7.862 7.044 1.00 0.00 N ATOM 1697 CA TYR A 112 2.214 6.938 7.904 1.00 0.00 C ATOM 1698 C TYR A 112 1.297 5.832 8.418 1.00 0.00 C ATOM 1699 O TYR A 112 1.620 4.649 8.322 1.00 0.00 O ATOM 1700 CB TYR A 112 2.836 7.688 9.082 1.00 0.00 C ATOM 1701 CG TYR A 112 3.753 6.834 9.928 1.00 0.00 C ATOM 1702 CD1 TYR A 112 3.254 6.070 10.975 1.00 0.00 C ATOM 1703 CD2 TYR A 112 5.120 6.790 9.679 1.00 0.00 C ATOM 1704 CE1 TYR A 112 4.088 5.289 11.751 1.00 0.00 C ATOM 1705 CE2 TYR A 112 5.961 6.011 10.449 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.441 5.262 11.484 1.00 0.00 C ATOM 1707 OH TYR A 112 6.275 4.484 12.253 1.00 0.00 O ATOM 0 H TYR A 112 1.645 8.848 7.250 1.00 0.00 H new ATOM 0 HA TYR A 112 3.008 6.482 7.313 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.397 8.542 8.703 1.00 0.00 H new ATOM 0 HB3 TYR A 112 2.039 8.084 9.711 1.00 0.00 H new ATOM 0 HD1 TYR A 112 2.195 6.087 11.186 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.531 7.375 8.870 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.683 4.703 12.562 1.00 0.00 H new ATOM 0 HE2 TYR A 112 7.021 5.988 10.242 1.00 0.00 H new ATOM 0 HH TYR A 112 7.197 4.577 11.933 1.00 0.00 H new ATOM 1717 N GLU A 113 0.151 6.228 8.964 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.813 5.271 9.494 1.00 0.00 C ATOM 1719 C GLU A 113 -1.268 4.300 8.409 1.00 0.00 C ATOM 1720 O GLU A 113 -1.085 3.087 8.527 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.022 6.003 10.079 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.707 5.244 11.203 1.00 0.00 C ATOM 1723 CD GLU A 113 -3.913 5.980 11.754 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -4.850 6.252 10.974 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -3.920 6.283 12.965 1.00 0.00 O ATOM 0 H GLU A 113 -0.132 7.204 9.051 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.325 4.702 10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.702 6.976 10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.744 6.188 9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.019 4.265 10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.993 5.071 12.008 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.863 4.841 7.351 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.346 4.023 6.244 1.00 0.00 C ATOM 1734 C LEU A 114 -1.358 2.907 5.919 1.00 0.00 C ATOM 1735 O LEU A 114 -1.756 1.780 5.623 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.577 4.892 5.006 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.813 5.792 5.038 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.701 6.889 3.991 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -5.076 4.971 4.821 1.00 0.00 C ATOM 0 H LEU A 114 -2.022 5.842 7.237 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.291 3.570 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.699 5.520 4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.651 4.238 4.137 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.873 6.261 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.589 7.520 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.817 7.495 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.616 6.440 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.946 5.628 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.025 4.474 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.163 4.222 5.608 1.00 0.00 H new ATOM 1751 N ILE A 115 -0.070 3.228 5.979 1.00 0.00 N ATOM 1752 CA ILE A 115 0.974 2.252 5.695 1.00 0.00 C ATOM 1753 C ILE A 115 0.969 1.127 6.725 1.00 0.00 C ATOM 1754 O ILE A 115 0.819 -0.044 6.378 1.00 0.00 O ATOM 1755 CB ILE A 115 2.367 2.908 5.674 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.444 3.958 4.564 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.447 1.852 5.488 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.511 5.005 4.795 1.00 0.00 C ATOM 0 H ILE A 115 0.275 4.157 6.222 1.00 0.00 H new ATOM 0 HA ILE A 115 0.761 1.839 4.709 1.00 0.00 H new ATOM 0 HB ILE A 115 2.533 3.405 6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.637 3.458 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.476 4.451 4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.426 2.331 5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.403 1.138 6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.286 1.330 4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.508 5.716 3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.308 5.532 5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.487 4.523 4.855 1.00 0.00 H new ATOM 1770 N GLU A 116 1.134 1.492 7.992 1.00 0.00 N ATOM 1771 CA GLU A 116 1.148 0.512 9.073 1.00 0.00 C ATOM 1772 C GLU A 116 0.089 -0.563 8.846 1.00 0.00 C ATOM 1773 O GLU A 116 0.340 -1.751 9.050 1.00 0.00 O ATOM 1774 CB GLU A 116 0.911 1.201 10.418 1.00 0.00 C ATOM 1775 CG GLU A 116 1.942 2.269 10.745 1.00 0.00 C ATOM 1776 CD GLU A 116 1.590 3.055 11.993 1.00 0.00 C ATOM 1777 OE1 GLU A 116 1.693 2.487 13.100 1.00 0.00 O ATOM 1778 OE2 GLU A 116 1.213 4.239 11.863 1.00 0.00 O ATOM 0 H GLU A 116 1.260 2.458 8.296 1.00 0.00 H new ATOM 0 HA GLU A 116 2.128 0.035 9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.080 1.654 10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.916 0.449 11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.917 1.799 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 116 2.031 2.954 9.902 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.096 -0.137 8.422 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.195 -1.061 8.166 1.00 0.00 C ATOM 1787 C LYS A 117 -1.792 -2.114 7.139 1.00 0.00 C ATOM 1788 O LYS A 117 -1.809 -3.311 7.423 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.427 -0.298 7.674 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.323 0.197 8.796 1.00 0.00 C ATOM 1791 CD LYS A 117 -5.113 -0.940 9.421 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.867 -0.480 10.660 1.00 0.00 C ATOM 1793 NZ LYS A 117 -4.944 -0.165 11.785 1.00 0.00 N ATOM 0 H LYS A 117 -1.320 0.843 8.248 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.438 -1.565 9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.102 0.554 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.007 -0.946 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.716 0.683 9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.010 0.949 8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.818 -1.338 8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.436 -1.752 9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.459 0.402 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.565 -1.257 10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.487 -0.087 12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -4.239 -0.924 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.460 0.736 11.595 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.429 -1.659 5.943 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.026 -2.576 4.892 1.00 0.00 C ATOM 1809 C GLY A 118 -0.281 -3.782 5.429 1.00 0.00 C ATOM 1810 O GLY A 118 -0.410 -4.886 4.901 1.00 0.00 O ATOM 0 H GLY A 118 -1.407 -0.673 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -1.909 -2.911 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.392 -2.050 4.178 1.00 0.00 H new ATOM 1814 N LYS A 119 0.503 -3.571 6.481 1.00 0.00 N ATOM 1815 CA LYS A 119 1.272 -4.650 7.090 1.00 0.00 C ATOM 1816 C LYS A 119 0.362 -5.596 7.866 1.00 0.00 C ATOM 1817 O LYS A 119 0.407 -6.811 7.675 1.00 0.00 O ATOM 1818 CB LYS A 119 2.343 -4.077 8.022 1.00 0.00 C ATOM 1819 CG LYS A 119 3.262 -3.073 7.347 1.00 0.00 C ATOM 1820 CD LYS A 119 3.790 -2.048 8.336 1.00 0.00 C ATOM 1821 CE LYS A 119 4.966 -2.594 9.130 1.00 0.00 C ATOM 1822 NZ LYS A 119 5.112 -1.911 10.446 1.00 0.00 N ATOM 0 H LYS A 119 0.623 -2.663 6.929 1.00 0.00 H new ATOM 0 HA LYS A 119 1.756 -5.213 6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.855 -3.597 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.943 -4.896 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.098 -3.597 6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.723 -2.565 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.097 -1.149 7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.993 -1.756 9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.831 -3.664 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.882 -2.470 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.925 -2.312 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.266 -0.894 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.248 -2.050 11.007 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.464 -5.031 8.741 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.385 -5.827 9.545 1.00 0.00 C ATOM 1838 C GLU A 120 -2.442 -6.489 8.666 1.00 0.00 C ATOM 1839 O GLU A 120 -2.679 -7.693 8.763 1.00 0.00 O ATOM 1840 CB GLU A 120 -2.061 -4.951 10.603 1.00 0.00 C ATOM 1841 CG GLU A 120 -1.145 -4.570 11.753 1.00 0.00 C ATOM 1842 CD GLU A 120 0.183 -4.010 11.281 1.00 0.00 C ATOM 1843 OE1 GLU A 120 1.063 -4.812 10.903 1.00 0.00 O ATOM 1844 OE2 GLU A 120 0.342 -2.772 11.289 1.00 0.00 O ATOM 0 H GLU A 120 -0.515 -4.027 8.911 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.811 -6.608 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.431 -4.042 10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.928 -5.479 11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.644 -3.831 12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.965 -5.447 12.375 1.00 0.00 H new ATOM 1851 N ILE A 121 -3.074 -5.693 7.810 1.00 0.00 N ATOM 1852 CA ILE A 121 -4.105 -6.202 6.914 1.00 0.00 C ATOM 1853 C ILE A 121 -3.712 -7.558 6.338 1.00 0.00 C ATOM 1854 O ILE A 121 -4.473 -8.523 6.419 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.376 -5.224 5.755 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.992 -3.928 6.287 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.290 -5.866 4.723 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -5.162 -2.861 5.228 1.00 0.00 C ATOM 0 H ILE A 121 -2.890 -4.694 7.718 1.00 0.00 H new ATOM 0 HA ILE A 121 -5.013 -6.311 7.507 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.429 -4.983 5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.964 -4.151 6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.363 -3.538 7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.472 -5.163 3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.817 -6.764 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.237 -6.132 5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.604 -1.971 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.189 -2.610 4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.816 -3.232 4.439 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.520 -7.625 5.757 1.00 0.00 N ATOM 1871 CA LEU A 122 -2.024 -8.864 5.168 1.00 0.00 C ATOM 1872 C LEU A 122 -2.046 -9.999 6.188 1.00 0.00 C ATOM 1873 O LEU A 122 -2.487 -11.108 5.887 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.602 -8.668 4.639 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.479 -7.937 3.301 1.00 0.00 C ATOM 1876 CD1 LEU A 122 0.979 -7.643 2.985 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.113 -8.756 2.186 1.00 0.00 C ATOM 0 H LEU A 122 -1.878 -6.836 5.681 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.680 -9.131 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.031 -8.116 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.134 -9.648 4.540 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.011 -6.989 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.046 -7.123 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.402 -7.016 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.535 -8.579 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.016 -8.221 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.609 -9.719 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.169 -8.915 2.406 1.00 0.00 H new