USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=18 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 92 HIS : no HD1:sc= -0.191 K(o=-0.14,f=-1) USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= 0.0546 F(o=-0.83,f=-0.14) USER MOD Set 2.1: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 62 THR OG1 : rot 87:sc= 0.485 USER MOD Set 3.3: A 82 ASN : amide:sc= -3.13! C(o=-2.6!,f=-8.4!) USER MOD Single : A 15 SER OG : rot 91:sc= 0.132 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 141:sc= -1.44 USER MOD Single : A 47 HIS : no HE2:sc= -2.73 X(o=-2.7,f=-2.8!) USER MOD Single : A 60 CYS SG : rot 27:sc= 0.0603 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 110:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.5) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 75:sc= 1.06 USER MOD Single : A 100 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.14) USER MOD Single : A 103 LYS NZ :NH3+ -117:sc= 0.259 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -141:sc= -0.717 (180deg=-1.36) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -151:sc= -0.0478 (180deg=-0.922) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 11 0.383 22.969 3.780 1.00 0.00 N ATOM 109 CA TRP A 11 0.129 21.579 3.415 1.00 0.00 C ATOM 110 C TRP A 11 0.927 20.630 4.302 1.00 0.00 C ATOM 111 O TRP A 11 2.156 20.592 4.240 1.00 0.00 O ATOM 112 CB TRP A 11 0.483 21.343 1.946 1.00 0.00 C ATOM 113 CG TRP A 11 -0.348 20.276 1.299 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.215 19.423 1.921 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.387 19.947 -0.094 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.791 18.584 0.998 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.301 18.886 -0.245 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.259 20.447 -1.228 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.581 18.317 -1.485 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.021 19.881 -2.457 1.00 0.00 C ATOM 121 CH2 TRP A 11 -0.935 18.826 -2.578 1.00 0.00 C ATOM 0 HA TRP A 11 -0.932 21.378 3.562 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.358 22.275 1.395 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.535 21.068 1.873 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.418 19.410 2.982 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.473 17.854 1.205 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.964 21.261 -1.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.284 17.502 -1.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.473 20.258 -3.340 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.133 18.406 -3.553 1.00 0.00 H new ATOM 132 N VAL A 12 0.221 19.862 5.126 1.00 0.00 N ATOM 133 CA VAL A 12 0.863 18.911 6.025 1.00 0.00 C ATOM 134 C VAL A 12 1.371 17.692 5.263 1.00 0.00 C ATOM 135 O VAL A 12 2.237 16.961 5.745 1.00 0.00 O ATOM 136 CB VAL A 12 -0.100 18.446 7.132 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.331 17.787 6.528 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.606 17.498 8.089 1.00 0.00 C ATOM 0 H VAL A 12 -0.797 19.880 5.189 1.00 0.00 H new ATOM 0 HA VAL A 12 1.707 19.428 6.482 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.425 19.320 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.000 17.465 7.326 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.848 18.501 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.028 16.922 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.090 17.179 8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.962 16.626 7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.453 18.008 8.548 1.00 0.00 H new ATOM 148 N LEU A 13 0.828 17.479 4.069 1.00 0.00 N ATOM 149 CA LEU A 13 1.226 16.348 3.238 1.00 0.00 C ATOM 150 C LEU A 13 2.732 16.354 2.997 1.00 0.00 C ATOM 151 O LEU A 13 3.446 15.417 3.355 1.00 0.00 O ATOM 152 CB LEU A 13 0.483 16.386 1.902 1.00 0.00 C ATOM 153 CG LEU A 13 1.251 15.850 0.692 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.502 14.358 0.838 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.491 16.142 -0.594 1.00 0.00 C ATOM 0 H LEU A 13 0.111 18.075 3.655 1.00 0.00 H new ATOM 0 HA LEU A 13 0.965 15.430 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.439 15.813 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.196 17.418 1.698 1.00 0.00 H new ATOM 0 HG LEU A 13 2.215 16.357 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.049 13.994 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.088 14.174 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.549 13.834 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.052 15.754 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.487 15.663 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.363 17.219 -0.705 1.00 0.00 H new ATOM 167 N PRO A 14 3.228 17.434 2.376 1.00 0.00 N ATOM 168 CA PRO A 14 4.655 17.589 2.076 1.00 0.00 C ATOM 169 C PRO A 14 5.492 17.805 3.332 1.00 0.00 C ATOM 170 O PRO A 14 6.717 17.689 3.300 1.00 0.00 O ATOM 171 CB PRO A 14 4.696 18.834 1.185 1.00 0.00 C ATOM 172 CG PRO A 14 3.480 19.608 1.559 1.00 0.00 C ATOM 173 CD PRO A 14 2.435 18.589 1.921 1.00 0.00 C ATOM 0 HA PRO A 14 5.072 16.698 1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.603 19.414 1.357 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.685 18.565 0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.684 20.273 2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.145 20.233 0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.772 18.955 2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.809 18.335 1.066 1.00 0.00 H new ATOM 181 N SER A 15 4.823 18.118 4.437 1.00 0.00 N ATOM 182 CA SER A 15 5.506 18.353 5.703 1.00 0.00 C ATOM 183 C SER A 15 5.764 17.039 6.433 1.00 0.00 C ATOM 184 O SER A 15 6.656 16.950 7.276 1.00 0.00 O ATOM 185 CB SER A 15 4.679 19.287 6.588 1.00 0.00 C ATOM 186 OG SER A 15 4.713 20.617 6.098 1.00 0.00 O ATOM 0 H SER A 15 3.809 18.215 4.481 1.00 0.00 H new ATOM 0 HA SER A 15 6.465 18.824 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.648 18.937 6.627 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.063 19.262 7.608 1.00 0.00 H new ATOM 0 HG SER A 15 3.968 20.756 5.477 1.00 0.00 H new ATOM 192 N GLU A 16 4.976 16.021 6.103 1.00 0.00 N ATOM 193 CA GLU A 16 5.118 14.711 6.727 1.00 0.00 C ATOM 194 C GLU A 16 6.054 13.820 5.916 1.00 0.00 C ATOM 195 O GLU A 16 6.817 13.032 6.474 1.00 0.00 O ATOM 196 CB GLU A 16 3.751 14.038 6.869 1.00 0.00 C ATOM 197 CG GLU A 16 3.827 12.602 7.360 1.00 0.00 C ATOM 198 CD GLU A 16 4.356 12.498 8.778 1.00 0.00 C ATOM 199 OE1 GLU A 16 3.604 12.829 9.718 1.00 0.00 O ATOM 200 OE2 GLU A 16 5.522 12.084 8.946 1.00 0.00 O ATOM 0 H GLU A 16 4.233 16.078 5.407 1.00 0.00 H new ATOM 0 HA GLU A 16 5.549 14.854 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.140 14.618 7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.244 14.057 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.835 12.153 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.470 12.027 6.693 1.00 0.00 H new ATOM 207 N VAL A 17 5.988 13.950 4.595 1.00 0.00 N ATOM 208 CA VAL A 17 6.829 13.158 3.706 1.00 0.00 C ATOM 209 C VAL A 17 8.297 13.260 4.103 1.00 0.00 C ATOM 210 O VAL A 17 8.942 12.253 4.396 1.00 0.00 O ATOM 211 CB VAL A 17 6.673 13.605 2.240 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.597 12.803 1.336 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.226 13.469 1.793 1.00 0.00 C ATOM 0 H VAL A 17 5.361 14.597 4.117 1.00 0.00 H new ATOM 0 HA VAL A 17 6.501 12.123 3.799 1.00 0.00 H new ATOM 0 HB VAL A 17 6.954 14.655 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.473 13.133 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.631 12.957 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.350 11.744 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.134 13.789 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.914 12.428 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.591 14.092 2.422 1.00 0.00 H new ATOM 223 N GLU A 18 8.820 14.482 4.111 1.00 0.00 N ATOM 224 CA GLU A 18 10.213 14.715 4.473 1.00 0.00 C ATOM 225 C GLU A 18 10.626 13.830 5.645 1.00 0.00 C ATOM 226 O GLU A 18 11.768 13.377 5.724 1.00 0.00 O ATOM 227 CB GLU A 18 10.432 16.187 4.829 1.00 0.00 C ATOM 228 CG GLU A 18 9.960 16.552 6.227 1.00 0.00 C ATOM 229 CD GLU A 18 10.234 18.002 6.575 1.00 0.00 C ATOM 230 OE1 GLU A 18 10.326 18.829 5.644 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.356 18.309 7.780 1.00 0.00 O ATOM 0 H GLU A 18 8.300 15.326 3.871 1.00 0.00 H new ATOM 0 HA GLU A 18 10.832 14.461 3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.493 16.419 4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.908 16.809 4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.890 16.359 6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.456 15.908 6.953 1.00 0.00 H new ATOM 238 N VAL A 19 9.688 13.587 6.555 1.00 0.00 N ATOM 239 CA VAL A 19 9.952 12.756 7.724 1.00 0.00 C ATOM 240 C VAL A 19 9.906 11.275 7.366 1.00 0.00 C ATOM 241 O VAL A 19 10.742 10.490 7.816 1.00 0.00 O ATOM 242 CB VAL A 19 8.940 13.033 8.851 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.184 12.103 10.029 1.00 0.00 C ATOM 244 CG2 VAL A 19 9.013 14.489 9.286 1.00 0.00 C ATOM 0 H VAL A 19 8.738 13.954 6.505 1.00 0.00 H new ATOM 0 HA VAL A 19 10.952 13.011 8.075 1.00 0.00 H new ATOM 0 HB VAL A 19 7.937 12.841 8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.459 12.314 10.815 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.076 11.068 9.704 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.192 12.259 10.413 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.291 14.667 10.083 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.017 14.710 9.649 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.784 15.134 8.438 1.00 0.00 H new ATOM 254 N LEU A 20 8.923 10.898 6.555 1.00 0.00 N ATOM 255 CA LEU A 20 8.767 9.510 6.136 1.00 0.00 C ATOM 256 C LEU A 20 9.981 9.041 5.340 1.00 0.00 C ATOM 257 O LEU A 20 10.583 8.015 5.655 1.00 0.00 O ATOM 258 CB LEU A 20 7.499 9.350 5.295 1.00 0.00 C ATOM 259 CG LEU A 20 6.175 9.549 6.033 1.00 0.00 C ATOM 260 CD1 LEU A 20 5.024 9.656 5.045 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.934 8.411 7.014 1.00 0.00 C ATOM 0 H LEU A 20 8.222 11.534 6.175 1.00 0.00 H new ATOM 0 HA LEU A 20 8.683 8.894 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.542 10.061 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.501 8.352 4.857 1.00 0.00 H new ATOM 0 HG LEU A 20 6.232 10.481 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.090 9.797 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.191 10.506 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.965 8.742 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.987 8.570 7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.898 7.466 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.744 8.381 7.743 1.00 0.00 H new ATOM 273 N GLU A 21 10.336 9.802 4.309 1.00 0.00 N ATOM 274 CA GLU A 21 11.479 9.464 3.470 1.00 0.00 C ATOM 275 C GLU A 21 12.656 8.989 4.318 1.00 0.00 C ATOM 276 O GLU A 21 13.296 7.986 4.003 1.00 0.00 O ATOM 277 CB GLU A 21 11.898 10.673 2.629 1.00 0.00 C ATOM 278 CG GLU A 21 11.077 10.847 1.363 1.00 0.00 C ATOM 279 CD GLU A 21 11.593 10.005 0.212 1.00 0.00 C ATOM 280 OE1 GLU A 21 12.145 8.916 0.476 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.445 10.434 -0.951 1.00 0.00 O ATOM 0 H GLU A 21 9.849 10.655 4.035 1.00 0.00 H new ATOM 0 HA GLU A 21 11.181 8.653 2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.811 11.575 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.949 10.571 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.040 10.580 1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.084 11.897 1.072 1.00 0.00 H new ATOM 288 N SER A 22 12.934 9.717 5.395 1.00 0.00 N ATOM 289 CA SER A 22 14.035 9.373 6.286 1.00 0.00 C ATOM 290 C SER A 22 13.970 7.903 6.687 1.00 0.00 C ATOM 291 O SER A 22 14.994 7.220 6.752 1.00 0.00 O ATOM 292 CB SER A 22 14.002 10.256 7.535 1.00 0.00 C ATOM 293 OG SER A 22 14.991 9.857 8.468 1.00 0.00 O ATOM 0 H SER A 22 12.412 10.549 5.671 1.00 0.00 H new ATOM 0 HA SER A 22 14.970 9.545 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.163 11.297 7.253 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.017 10.200 7.998 1.00 0.00 H new ATOM 0 HG SER A 22 14.950 10.438 9.256 1.00 0.00 H new ATOM 299 N ILE A 23 12.761 7.422 6.956 1.00 0.00 N ATOM 300 CA ILE A 23 12.563 6.032 7.350 1.00 0.00 C ATOM 301 C ILE A 23 12.450 5.126 6.129 1.00 0.00 C ATOM 302 O ILE A 23 13.185 4.146 6.001 1.00 0.00 O ATOM 303 CB ILE A 23 11.299 5.868 8.215 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.421 6.696 9.496 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.072 4.401 8.547 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.095 6.956 10.176 1.00 0.00 C ATOM 0 H ILE A 23 11.904 7.974 6.908 1.00 0.00 H new ATOM 0 HA ILE A 23 13.435 5.742 7.936 1.00 0.00 H new ATOM 0 HB ILE A 23 10.440 6.230 7.650 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.082 6.179 10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.892 7.650 9.259 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.175 4.301 9.159 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.947 3.834 7.624 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.931 4.015 9.096 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.258 7.548 11.077 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.439 7.501 9.497 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.632 6.007 10.445 1.00 0.00 H new ATOM 318 N TYR A 24 11.528 5.460 5.234 1.00 0.00 N ATOM 319 CA TYR A 24 11.318 4.676 4.022 1.00 0.00 C ATOM 320 C TYR A 24 12.100 5.264 2.851 1.00 0.00 C ATOM 321 O TYR A 24 11.599 5.334 1.728 1.00 0.00 O ATOM 322 CB TYR A 24 9.829 4.618 3.678 1.00 0.00 C ATOM 323 CG TYR A 24 8.949 4.262 4.856 1.00 0.00 C ATOM 324 CD1 TYR A 24 9.215 3.142 5.633 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.853 5.047 5.190 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.413 2.813 6.709 1.00 0.00 C ATOM 327 CE2 TYR A 24 7.046 4.727 6.265 1.00 0.00 C ATOM 328 CZ TYR A 24 7.330 3.609 7.021 1.00 0.00 C ATOM 329 OH TYR A 24 6.530 3.285 8.093 1.00 0.00 O ATOM 0 H TYR A 24 10.913 6.269 5.324 1.00 0.00 H new ATOM 0 HA TYR A 24 11.681 3.665 4.206 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.518 5.585 3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.676 3.885 2.886 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.063 2.518 5.392 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.628 5.923 4.599 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.633 1.938 7.302 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.198 5.349 6.512 1.00 0.00 H new ATOM 0 HH TYR A 24 5.812 3.947 8.177 1.00 0.00 H new ATOM 339 N LEU A 25 13.330 5.684 3.121 1.00 0.00 N ATOM 340 CA LEU A 25 14.184 6.266 2.091 1.00 0.00 C ATOM 341 C LEU A 25 13.971 5.569 0.750 1.00 0.00 C ATOM 342 O LEU A 25 13.576 6.198 -0.231 1.00 0.00 O ATOM 343 CB LEU A 25 15.654 6.166 2.502 1.00 0.00 C ATOM 344 CG LEU A 25 16.169 7.271 3.425 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.601 6.987 3.850 1.00 0.00 C ATOM 346 CD2 LEU A 25 16.073 8.626 2.740 1.00 0.00 C ATOM 0 H LEU A 25 13.759 5.633 4.045 1.00 0.00 H new ATOM 0 HA LEU A 25 13.915 7.316 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.808 5.207 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.264 6.161 1.598 1.00 0.00 H new ATOM 0 HG LEU A 25 15.544 7.293 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.951 7.784 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.641 6.036 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.239 6.937 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.444 9.400 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.673 8.617 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.033 8.833 2.487 1.00 0.00 H new ATOM 358 N ASP A 26 14.232 4.267 0.718 1.00 0.00 N ATOM 359 CA ASP A 26 14.066 3.484 -0.501 1.00 0.00 C ATOM 360 C ASP A 26 12.758 2.699 -0.469 1.00 0.00 C ATOM 361 O ASP A 26 11.985 2.724 -1.426 1.00 0.00 O ATOM 362 CB ASP A 26 15.245 2.527 -0.683 1.00 0.00 C ATOM 363 CG ASP A 26 15.359 2.012 -2.104 1.00 0.00 C ATOM 364 OD1 ASP A 26 15.107 2.798 -3.041 1.00 0.00 O ATOM 365 OD2 ASP A 26 15.699 0.823 -2.279 1.00 0.00 O ATOM 0 H ASP A 26 14.559 3.731 1.522 1.00 0.00 H new ATOM 0 HA ASP A 26 14.035 4.174 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.169 3.037 -0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.133 1.683 -0.002 1.00 0.00 H new ATOM 370 N GLU A 27 12.519 2.003 0.638 1.00 0.00 N ATOM 371 CA GLU A 27 11.305 1.210 0.794 1.00 0.00 C ATOM 372 C GLU A 27 10.124 1.881 0.100 1.00 0.00 C ATOM 373 O GLU A 27 9.379 1.240 -0.643 1.00 0.00 O ATOM 374 CB GLU A 27 10.990 1.004 2.277 1.00 0.00 C ATOM 375 CG GLU A 27 12.088 0.279 3.037 1.00 0.00 C ATOM 376 CD GLU A 27 11.607 -0.282 4.361 1.00 0.00 C ATOM 377 OE1 GLU A 27 10.768 -1.207 4.343 1.00 0.00 O ATOM 378 OE2 GLU A 27 12.069 0.203 5.415 1.00 0.00 O ATOM 0 H GLU A 27 13.149 1.972 1.439 1.00 0.00 H new ATOM 0 HA GLU A 27 11.474 0.239 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.818 1.975 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.063 0.439 2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.476 -0.533 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.915 0.966 3.216 1.00 0.00 H new ATOM 385 N LEU A 28 9.957 3.176 0.348 1.00 0.00 N ATOM 386 CA LEU A 28 8.866 3.936 -0.252 1.00 0.00 C ATOM 387 C LEU A 28 9.402 4.988 -1.217 1.00 0.00 C ATOM 388 O LEU A 28 10.480 5.544 -1.008 1.00 0.00 O ATOM 389 CB LEU A 28 8.027 4.606 0.837 1.00 0.00 C ATOM 390 CG LEU A 28 7.045 5.679 0.363 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.932 5.872 1.381 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.772 6.992 0.109 1.00 0.00 C ATOM 0 H LEU A 28 10.563 3.721 0.961 1.00 0.00 H new ATOM 0 HA LEU A 28 8.237 3.243 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.465 3.833 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.703 5.056 1.563 1.00 0.00 H new ATOM 0 HG LEU A 28 6.598 5.347 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.244 6.639 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.393 4.934 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.360 6.182 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.058 7.744 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.247 7.329 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.532 6.844 -0.658 1.00 0.00 H new ATOM 404 N GLN A 29 8.640 5.257 -2.273 1.00 0.00 N ATOM 405 CA GLN A 29 9.039 6.244 -3.270 1.00 0.00 C ATOM 406 C GLN A 29 8.084 7.434 -3.269 1.00 0.00 C ATOM 407 O GLN A 29 6.880 7.277 -3.065 1.00 0.00 O ATOM 408 CB GLN A 29 9.079 5.609 -4.660 1.00 0.00 C ATOM 409 CG GLN A 29 9.807 6.453 -5.694 1.00 0.00 C ATOM 410 CD GLN A 29 11.303 6.210 -5.698 1.00 0.00 C ATOM 411 OE1 GLN A 29 12.081 7.048 -5.240 1.00 0.00 O ATOM 412 NE2 GLN A 29 11.715 5.058 -6.214 1.00 0.00 N ATOM 0 H GLN A 29 7.744 4.806 -2.460 1.00 0.00 H new ATOM 0 HA GLN A 29 10.036 6.601 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.564 4.635 -4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.058 5.434 -5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.405 6.235 -6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.615 7.508 -5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.036 4.392 -6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.711 4.839 -6.242 1.00 0.00 H new ATOM 421 N VAL A 30 8.630 8.624 -3.498 1.00 0.00 N ATOM 422 CA VAL A 30 7.827 9.841 -3.525 1.00 0.00 C ATOM 423 C VAL A 30 8.075 10.635 -4.802 1.00 0.00 C ATOM 424 O VAL A 30 9.221 10.839 -5.206 1.00 0.00 O ATOM 425 CB VAL A 30 8.127 10.738 -2.309 1.00 0.00 C ATOM 426 CG1 VAL A 30 7.359 12.047 -2.409 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.791 10.011 -1.016 1.00 0.00 C ATOM 0 H VAL A 30 9.625 8.771 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 30 6.782 9.532 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 30 9.192 10.969 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.583 12.668 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.653 12.573 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.289 11.840 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.009 10.659 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.733 9.749 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.390 9.103 -0.943 1.00 0.00 H new ATOM 437 N ILE A 31 6.995 11.082 -5.434 1.00 0.00 N ATOM 438 CA ILE A 31 7.096 11.856 -6.665 1.00 0.00 C ATOM 439 C ILE A 31 6.876 13.342 -6.400 1.00 0.00 C ATOM 440 O ILE A 31 5.741 13.795 -6.249 1.00 0.00 O ATOM 441 CB ILE A 31 6.078 11.377 -7.716 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.264 9.884 -7.995 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.221 12.183 -8.999 1.00 0.00 C ATOM 444 CD1 ILE A 31 7.577 9.554 -8.669 1.00 0.00 C ATOM 0 H ILE A 31 6.040 10.921 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 31 8.104 11.704 -7.052 1.00 0.00 H new ATOM 0 HB ILE A 31 5.073 11.532 -7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.200 9.336 -7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.445 9.535 -8.624 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.494 11.832 -9.732 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.043 13.238 -8.788 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.228 12.057 -9.397 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.640 8.479 -8.836 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.636 10.074 -9.625 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.403 9.871 -8.032 1.00 0.00 H new ATOM 569 N TRP A 40 -0.019 14.435 -5.158 1.00 0.00 N ATOM 570 CA TRP A 40 1.272 13.770 -5.018 1.00 0.00 C ATOM 571 C TRP A 40 1.127 12.260 -5.178 1.00 0.00 C ATOM 572 O TRP A 40 0.043 11.709 -4.992 1.00 0.00 O ATOM 573 CB TRP A 40 1.890 14.093 -3.656 1.00 0.00 C ATOM 574 CG TRP A 40 2.397 15.500 -3.554 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.835 16.616 -4.103 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.571 15.939 -2.861 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.587 17.723 -3.793 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.657 17.334 -3.031 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.556 15.290 -2.111 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.690 18.089 -2.480 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.580 16.040 -1.565 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.641 17.427 -1.751 1.00 0.00 C ATOM 0 HA TRP A 40 1.930 14.139 -5.805 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.145 13.925 -2.878 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.712 13.403 -3.465 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.931 16.627 -4.694 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.382 18.679 -4.083 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.517 14.221 -1.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.739 19.158 -2.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.347 15.548 -0.985 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.454 17.985 -1.311 1.00 0.00 H new ATOM 593 N GLU A 41 2.226 11.598 -5.524 1.00 0.00 N ATOM 594 CA GLU A 41 2.219 10.152 -5.710 1.00 0.00 C ATOM 595 C GLU A 41 3.233 9.480 -4.788 1.00 0.00 C ATOM 596 O GLU A 41 4.372 9.933 -4.666 1.00 0.00 O ATOM 597 CB GLU A 41 2.527 9.801 -7.167 1.00 0.00 C ATOM 598 CG GLU A 41 1.874 8.511 -7.634 1.00 0.00 C ATOM 599 CD GLU A 41 1.553 8.523 -9.116 1.00 0.00 C ATOM 600 OE1 GLU A 41 2.397 9.001 -9.903 1.00 0.00 O ATOM 601 OE2 GLU A 41 0.457 8.054 -9.489 1.00 0.00 O ATOM 0 H GLU A 41 3.132 12.039 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 41 1.224 9.784 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.195 10.619 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.607 9.717 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.537 7.673 -7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.957 8.347 -7.069 1.00 0.00 H new ATOM 608 N ILE A 42 2.811 8.398 -4.143 1.00 0.00 N ATOM 609 CA ILE A 42 3.681 7.663 -3.233 1.00 0.00 C ATOM 610 C ILE A 42 3.457 6.160 -3.352 1.00 0.00 C ATOM 611 O ILE A 42 2.364 5.661 -3.082 1.00 0.00 O ATOM 612 CB ILE A 42 3.456 8.090 -1.771 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.922 9.533 -1.560 1.00 0.00 C ATOM 614 CG2 ILE A 42 4.187 7.149 -0.826 1.00 0.00 C ATOM 615 CD1 ILE A 42 3.237 10.226 -0.404 1.00 0.00 C ATOM 0 H ILE A 42 1.872 8.011 -4.234 1.00 0.00 H new ATOM 0 HA ILE A 42 4.706 7.899 -3.518 1.00 0.00 H new ATOM 0 HB ILE A 42 2.389 8.037 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.999 9.537 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.742 10.102 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.018 7.464 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.812 6.134 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.255 7.173 -1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.616 11.244 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.162 10.254 -0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.438 9.681 0.518 1.00 0.00 H new ATOM 627 N TYR A 43 4.499 5.442 -3.757 1.00 0.00 N ATOM 628 CA TYR A 43 4.417 3.995 -3.912 1.00 0.00 C ATOM 629 C TYR A 43 5.091 3.282 -2.744 1.00 0.00 C ATOM 630 O TYR A 43 5.936 3.856 -2.057 1.00 0.00 O ATOM 631 CB TYR A 43 5.065 3.564 -5.229 1.00 0.00 C ATOM 632 CG TYR A 43 4.729 4.468 -6.393 1.00 0.00 C ATOM 633 CD1 TYR A 43 3.510 4.361 -7.052 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.630 5.429 -6.835 1.00 0.00 C ATOM 635 CE1 TYR A 43 3.199 5.185 -8.117 1.00 0.00 C ATOM 636 CE2 TYR A 43 5.327 6.258 -7.898 1.00 0.00 C ATOM 637 CZ TYR A 43 4.111 6.132 -8.536 1.00 0.00 C ATOM 638 OH TYR A 43 3.805 6.954 -9.596 1.00 0.00 O ATOM 0 H TYR A 43 5.411 5.839 -3.984 1.00 0.00 H new ATOM 0 HA TYR A 43 3.363 3.717 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.147 3.538 -5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.748 2.548 -5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.794 3.621 -6.726 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.584 5.530 -6.339 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.247 5.088 -8.619 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.039 7.001 -8.227 1.00 0.00 H new ATOM 0 HH TYR A 43 4.137 7.858 -9.415 1.00 0.00 H new ATOM 648 N ILE A 44 4.710 2.028 -2.525 1.00 0.00 N ATOM 649 CA ILE A 44 5.278 1.235 -1.442 1.00 0.00 C ATOM 650 C ILE A 44 4.801 -0.211 -1.510 1.00 0.00 C ATOM 651 O ILE A 44 3.622 -0.478 -1.747 1.00 0.00 O ATOM 652 CB ILE A 44 4.912 1.820 -0.065 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.391 0.890 1.052 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.411 2.046 0.033 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.649 1.602 2.362 1.00 0.00 C ATOM 0 H ILE A 44 4.010 1.539 -3.083 1.00 0.00 H new ATOM 0 HA ILE A 44 6.361 1.264 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 44 5.412 2.782 0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.644 0.112 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.306 0.392 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.168 2.460 1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.097 2.743 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.891 1.097 -0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.985 0.882 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.418 2.361 2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.730 2.077 2.705 1.00 0.00 H new ATOM 667 N THR A 45 5.724 -1.144 -1.298 1.00 0.00 N ATOM 668 CA THR A 45 5.398 -2.564 -1.335 1.00 0.00 C ATOM 669 C THR A 45 5.282 -3.138 0.072 1.00 0.00 C ATOM 670 O THR A 45 6.000 -2.725 0.984 1.00 0.00 O ATOM 671 CB THR A 45 6.457 -3.363 -2.118 1.00 0.00 C ATOM 672 OG1 THR A 45 6.557 -2.864 -3.456 1.00 0.00 O ATOM 673 CG2 THR A 45 6.105 -4.843 -2.148 1.00 0.00 C ATOM 0 H THR A 45 6.704 -0.941 -1.099 1.00 0.00 H new ATOM 0 HA THR A 45 4.437 -2.655 -1.842 1.00 0.00 H new ATOM 0 HB THR A 45 7.416 -3.244 -1.614 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.233 -3.376 -3.946 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.867 -5.387 -2.706 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.059 -5.227 -1.129 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.137 -4.977 -2.630 1.00 0.00 H new ATOM 681 N LEU A 46 4.375 -4.093 0.244 1.00 0.00 N ATOM 682 CA LEU A 46 4.166 -4.726 1.542 1.00 0.00 C ATOM 683 C LEU A 46 4.044 -6.239 1.396 1.00 0.00 C ATOM 684 O LEU A 46 3.551 -6.739 0.385 1.00 0.00 O ATOM 685 CB LEU A 46 2.910 -4.163 2.208 1.00 0.00 C ATOM 686 CG LEU A 46 2.915 -2.660 2.489 1.00 0.00 C ATOM 687 CD1 LEU A 46 1.508 -2.169 2.794 1.00 0.00 C ATOM 688 CD2 LEU A 46 3.857 -2.335 3.639 1.00 0.00 C ATOM 0 H LEU A 46 3.772 -4.446 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 46 5.031 -4.509 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.054 -4.391 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.757 -4.688 3.151 1.00 0.00 H new ATOM 0 HG LEU A 46 3.272 -2.145 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.531 -1.097 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.861 -2.367 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.122 -2.691 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.848 -1.261 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.531 -2.861 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.868 -2.650 3.381 1.00 0.00 H new ATOM 700 N HIS A 47 4.494 -6.965 2.415 1.00 0.00 N ATOM 701 CA HIS A 47 4.433 -8.422 2.403 1.00 0.00 C ATOM 702 C HIS A 47 3.862 -8.953 3.714 1.00 0.00 C ATOM 703 O HIS A 47 3.933 -8.304 4.758 1.00 0.00 O ATOM 704 CB HIS A 47 5.824 -9.010 2.163 1.00 0.00 C ATOM 705 CG HIS A 47 6.716 -8.125 1.347 1.00 0.00 C ATOM 706 ND1 HIS A 47 8.002 -7.801 1.724 1.00 0.00 N ATOM 707 CD2 HIS A 47 6.501 -7.497 0.168 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.539 -7.010 0.812 1.00 0.00 C ATOM 709 NE2 HIS A 47 7.649 -6.811 -0.143 1.00 0.00 N ATOM 0 H HIS A 47 4.905 -6.567 3.260 1.00 0.00 H new ATOM 0 HA HIS A 47 3.773 -8.727 1.591 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.299 -9.203 3.125 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.721 -9.971 1.660 1.00 0.00 H new ATOM 0 HD1 HIS A 47 8.466 -8.122 2.574 1.00 0.00 H new ATOM 0 HD2 HIS A 47 5.595 -7.529 -0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.536 -6.597 0.842 1.00 0.00 H new ATOM 871 N VAL A 59 3.637 -14.129 -2.212 1.00 0.00 N ATOM 872 CA VAL A 59 2.683 -13.052 -2.453 1.00 0.00 C ATOM 873 C VAL A 59 3.334 -11.688 -2.259 1.00 0.00 C ATOM 874 O VAL A 59 4.079 -11.474 -1.301 1.00 0.00 O ATOM 875 CB VAL A 59 1.463 -13.164 -1.519 1.00 0.00 C ATOM 876 CG1 VAL A 59 1.909 -13.263 -0.067 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.529 -11.981 -1.719 1.00 0.00 C ATOM 0 HA VAL A 59 2.350 -13.149 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 59 0.918 -14.074 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.034 -13.341 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.535 -14.146 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.478 -12.373 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.327 -12.077 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.061 -11.056 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.183 -11.961 -2.752 1.00 0.00 H new ATOM 887 N CYS A 60 3.048 -10.767 -3.172 1.00 0.00 N ATOM 888 CA CYS A 60 3.606 -9.421 -3.103 1.00 0.00 C ATOM 889 C CYS A 60 2.796 -8.451 -3.956 1.00 0.00 C ATOM 890 O CYS A 60 2.422 -8.765 -5.086 1.00 0.00 O ATOM 891 CB CYS A 60 5.065 -9.427 -3.562 1.00 0.00 C ATOM 892 SG CYS A 60 5.301 -9.993 -5.263 1.00 0.00 S ATOM 0 H CYS A 60 2.433 -10.928 -3.969 1.00 0.00 H new ATOM 0 HA CYS A 60 3.560 -9.089 -2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.469 -8.419 -3.466 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.642 -10.066 -2.894 1.00 0.00 H new ATOM 0 HG CYS A 60 4.228 -9.747 -5.955 1.00 0.00 H new ATOM 898 N PHE A 61 2.525 -7.272 -3.407 1.00 0.00 N ATOM 899 CA PHE A 61 1.756 -6.256 -4.116 1.00 0.00 C ATOM 900 C PHE A 61 2.302 -4.861 -3.830 1.00 0.00 C ATOM 901 O PHE A 61 2.898 -4.618 -2.780 1.00 0.00 O ATOM 902 CB PHE A 61 0.281 -6.331 -3.716 1.00 0.00 C ATOM 903 CG PHE A 61 -0.041 -5.560 -2.468 1.00 0.00 C ATOM 904 CD1 PHE A 61 0.085 -6.151 -1.221 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.470 -4.244 -2.541 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.210 -5.444 -0.070 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.766 -3.533 -1.394 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.637 -4.133 -0.157 1.00 0.00 C ATOM 0 H PHE A 61 2.827 -6.996 -2.473 1.00 0.00 H new ATOM 0 HA PHE A 61 1.846 -6.449 -5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.329 -5.952 -4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.005 -7.375 -3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.418 -7.176 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.574 -3.769 -3.505 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.107 -5.916 0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.098 -2.508 -1.465 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.869 -3.579 0.740 1.00 0.00 H new ATOM 918 N THR A 62 2.097 -3.946 -4.772 1.00 0.00 N ATOM 919 CA THR A 62 2.570 -2.576 -4.624 1.00 0.00 C ATOM 920 C THR A 62 1.438 -1.647 -4.199 1.00 0.00 C ATOM 921 O THR A 62 0.530 -1.361 -4.980 1.00 0.00 O ATOM 922 CB THR A 62 3.187 -2.049 -5.933 1.00 0.00 C ATOM 923 OG1 THR A 62 4.379 -2.780 -6.241 1.00 0.00 O ATOM 924 CG2 THR A 62 3.510 -0.567 -5.821 1.00 0.00 C ATOM 0 H THR A 62 1.606 -4.130 -5.647 1.00 0.00 H new ATOM 0 HA THR A 62 3.337 -2.589 -3.850 1.00 0.00 H new ATOM 0 HB THR A 62 2.460 -2.186 -6.733 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.147 -3.583 -6.753 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.945 -0.218 -6.758 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.596 -0.010 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.221 -0.410 -5.010 1.00 0.00 H new ATOM 932 N LEU A 63 1.499 -1.177 -2.958 1.00 0.00 N ATOM 933 CA LEU A 63 0.478 -0.278 -2.429 1.00 0.00 C ATOM 934 C LEU A 63 0.728 1.156 -2.884 1.00 0.00 C ATOM 935 O LEU A 63 1.763 1.746 -2.574 1.00 0.00 O ATOM 936 CB LEU A 63 0.455 -0.344 -0.901 1.00 0.00 C ATOM 937 CG LEU A 63 -0.633 0.479 -0.210 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.807 0.030 1.232 1.00 0.00 C ATOM 939 CD2 LEU A 63 -0.299 1.963 -0.272 1.00 0.00 C ATOM 0 H LEU A 63 2.244 -1.403 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.490 -0.599 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.338 -1.386 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.424 -0.013 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.574 0.316 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.585 0.627 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.092 -1.022 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.132 0.163 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.084 2.534 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.652 2.143 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.226 2.276 -1.313 1.00 0.00 H new ATOM 951 N VAL A 64 -0.229 1.713 -3.619 1.00 0.00 N ATOM 952 CA VAL A 64 -0.115 3.080 -4.114 1.00 0.00 C ATOM 953 C VAL A 64 -0.942 4.041 -3.268 1.00 0.00 C ATOM 954 O VAL A 64 -2.113 3.785 -2.982 1.00 0.00 O ATOM 955 CB VAL A 64 -0.569 3.185 -5.582 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.394 4.606 -6.095 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.200 2.198 -6.449 1.00 0.00 C ATOM 0 H VAL A 64 -1.092 1.239 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 64 0.938 3.354 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.628 2.933 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.720 4.661 -7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.993 5.287 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.656 4.890 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.133 2.286 -7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.266 2.417 -6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.018 1.184 -6.094 1.00 0.00 H new ATOM 967 N LEU A 65 -0.327 5.150 -2.870 1.00 0.00 N ATOM 968 CA LEU A 65 -1.007 6.152 -2.057 1.00 0.00 C ATOM 969 C LEU A 65 -1.253 7.427 -2.857 1.00 0.00 C ATOM 970 O LEU A 65 -0.350 8.245 -3.031 1.00 0.00 O ATOM 971 CB LEU A 65 -0.181 6.470 -0.809 1.00 0.00 C ATOM 972 CG LEU A 65 -0.621 7.695 -0.007 1.00 0.00 C ATOM 973 CD1 LEU A 65 -2.056 7.533 0.470 1.00 0.00 C ATOM 974 CD2 LEU A 65 0.312 7.924 1.173 1.00 0.00 C ATOM 0 H LEU A 65 0.641 5.378 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.971 5.745 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.205 5.602 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.857 6.612 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.572 8.568 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.352 8.414 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.715 7.419 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.131 6.650 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.017 8.800 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.296 7.050 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.326 8.086 0.809 1.00 0.00 H new ATOM 986 N GLN A 66 -2.481 7.590 -3.338 1.00 0.00 N ATOM 987 CA GLN A 66 -2.846 8.767 -4.118 1.00 0.00 C ATOM 988 C GLN A 66 -3.395 9.868 -3.217 1.00 0.00 C ATOM 989 O GLN A 66 -4.547 9.817 -2.788 1.00 0.00 O ATOM 990 CB GLN A 66 -3.881 8.399 -5.182 1.00 0.00 C ATOM 991 CG GLN A 66 -3.880 9.334 -6.380 1.00 0.00 C ATOM 992 CD GLN A 66 -5.057 9.097 -7.306 1.00 0.00 C ATOM 993 OE1 GLN A 66 -5.919 9.962 -7.467 1.00 0.00 O ATOM 994 NE2 GLN A 66 -5.101 7.921 -7.921 1.00 0.00 N ATOM 0 H GLN A 66 -3.240 6.922 -3.202 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.947 9.139 -4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.691 7.382 -5.525 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.873 8.403 -4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.900 10.366 -6.030 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.952 9.204 -6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.366 7.233 -7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.870 7.706 -8.556 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.561 10.864 -2.933 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.963 11.979 -2.083 1.00 0.00 C ATOM 1005 C VAL A 67 -3.437 13.163 -2.918 1.00 0.00 C ATOM 1006 O VAL A 67 -2.674 13.768 -3.671 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.807 12.436 -1.173 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.294 13.470 -0.170 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.186 11.243 -0.462 1.00 0.00 C ATOM 0 H VAL A 67 -1.603 10.921 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.785 11.624 -1.462 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.040 12.900 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.464 13.781 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.688 14.336 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.080 13.035 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.371 11.584 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.942 10.749 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.799 10.541 -1.200 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.727 13.504 -2.782 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.332 14.620 -3.515 1.00 0.00 C ATOM 1021 C PRO A 68 -4.822 15.974 -3.035 1.00 0.00 C ATOM 1022 O PRO A 68 -3.917 16.048 -2.204 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.825 14.474 -3.214 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.880 13.750 -1.913 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.694 12.827 -1.902 1.00 0.00 C ATOM 0 HA PRO A 68 -5.092 14.587 -4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.312 15.447 -3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.335 13.916 -4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.839 14.447 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.811 13.191 -1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.297 12.695 -0.895 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.952 11.836 -2.276 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.408 17.044 -3.562 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.014 18.395 -3.185 1.00 0.00 C ATOM 1035 C ALA A 69 -5.678 18.815 -1.878 1.00 0.00 C ATOM 1036 O ALA A 69 -5.029 19.375 -0.994 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.363 19.376 -4.295 1.00 0.00 C ATOM 0 H ALA A 69 -6.158 17.001 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.935 18.403 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.063 20.381 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.838 19.094 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.438 19.356 -4.474 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.974 18.542 -1.762 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.724 18.894 -0.563 1.00 0.00 C ATOM 1045 C GLU A 70 -7.027 18.369 0.689 1.00 0.00 C ATOM 1046 O GLU A 70 -6.964 19.053 1.711 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.146 18.334 -0.641 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.114 19.233 -1.391 1.00 0.00 C ATOM 1049 CD GLU A 70 -9.696 19.468 -2.830 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -9.515 18.474 -3.564 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -9.551 20.644 -3.221 1.00 0.00 O ATOM 0 H GLU A 70 -7.526 18.078 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.772 19.981 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.117 17.359 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.521 18.175 0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.108 18.785 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.187 20.191 -0.877 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.505 17.150 0.601 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.815 16.531 1.726 1.00 0.00 C ATOM 1060 C TYR A 71 -5.135 17.585 2.595 1.00 0.00 C ATOM 1061 O TYR A 71 -4.586 18.572 2.104 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.781 15.522 1.225 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.909 14.953 2.321 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.972 15.746 2.973 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -4.023 13.623 2.706 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.173 15.229 3.975 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.229 13.099 3.708 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.305 13.906 4.339 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.512 13.388 5.337 1.00 0.00 O ATOM 0 H TYR A 71 -6.547 16.571 -0.238 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.556 16.010 2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.298 14.704 0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.147 16.004 0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.867 16.783 2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.745 12.988 2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.449 15.858 4.471 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.331 12.063 3.996 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.060 13.206 6.129 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.170 17.372 3.919 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.821 16.202 4.515 1.00 0.00 C ATOM 1081 C PRO A 72 -7.339 16.253 4.383 1.00 0.00 C ATOM 1082 O PRO A 72 -8.006 15.217 4.367 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.409 16.278 5.987 1.00 0.00 C ATOM 1084 CG PRO A 72 -5.130 17.721 6.228 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.579 18.258 4.935 1.00 0.00 C ATOM 0 HA PRO A 72 -5.524 15.276 4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.203 15.914 6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.529 15.666 6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.038 18.251 6.515 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.415 17.850 7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.865 19.298 4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.490 18.221 4.916 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.880 17.463 4.290 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.321 17.649 4.159 1.00 0.00 C ATOM 1095 C HIS A 73 -9.959 16.462 3.443 1.00 0.00 C ATOM 1096 O HIS A 73 -10.987 15.943 3.877 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.623 18.940 3.398 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.392 20.179 4.206 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -10.139 21.328 4.054 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -8.490 20.446 5.180 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -9.706 22.248 4.898 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -8.706 21.737 5.594 1.00 0.00 N ATOM 0 H HIS A 73 -7.343 18.330 4.303 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.746 17.718 5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -9.002 18.978 2.503 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.661 18.922 3.065 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.740 19.769 5.561 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.102 23.247 5.001 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -8.180 22.223 6.321 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.342 16.038 2.344 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.851 14.914 1.568 1.00 0.00 C ATOM 1113 C GLU A 74 -9.038 13.652 1.841 1.00 0.00 C ATOM 1114 O GLU A 74 -7.829 13.714 2.061 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.820 15.241 0.074 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.491 14.189 -0.794 1.00 0.00 C ATOM 1117 CD GLU A 74 -11.870 13.810 -0.288 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -12.730 14.708 -0.177 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -12.087 12.613 -0.004 1.00 0.00 O ATOM 0 H GLU A 74 -8.489 16.456 1.972 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.882 14.734 1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.310 16.201 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.783 15.354 -0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.572 14.563 -1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.864 13.298 -0.830 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.712 12.506 1.826 1.00 0.00 N ATOM 1127 CA VAL A 75 -9.053 11.228 2.071 1.00 0.00 C ATOM 1128 C VAL A 75 -8.347 10.724 0.818 1.00 0.00 C ATOM 1129 O VAL A 75 -8.884 10.775 -0.290 1.00 0.00 O ATOM 1130 CB VAL A 75 -10.058 10.161 2.546 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.758 10.615 3.817 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -11.068 9.856 1.450 1.00 0.00 C ATOM 0 H VAL A 75 -10.714 12.436 1.647 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.316 11.397 2.856 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.511 9.245 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -11.464 9.849 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.019 10.778 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.294 11.544 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.770 9.100 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.612 10.765 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.547 9.484 0.568 1.00 0.00 H new ATOM 1142 N PRO A 76 -7.115 10.225 0.993 1.00 0.00 N ATOM 1143 CA PRO A 76 -6.308 9.701 -0.114 1.00 0.00 C ATOM 1144 C PRO A 76 -6.865 8.394 -0.668 1.00 0.00 C ATOM 1145 O PRO A 76 -7.085 7.438 0.076 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.937 9.470 0.526 1.00 0.00 C ATOM 1147 CG PRO A 76 -5.223 9.269 1.974 1.00 0.00 C ATOM 1148 CD PRO A 76 -6.414 10.134 2.284 1.00 0.00 C ATOM 0 HA PRO A 76 -6.287 10.384 -0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.441 8.600 0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.277 10.323 0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.435 8.222 2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.365 9.552 2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.045 9.688 3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.113 11.116 2.648 1.00 0.00 H new ATOM 1156 N GLN A 77 -7.090 8.360 -1.977 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.622 7.169 -2.630 1.00 0.00 C ATOM 1158 C GLN A 77 -6.601 6.036 -2.609 1.00 0.00 C ATOM 1159 O GLN A 77 -5.554 6.119 -3.251 1.00 0.00 O ATOM 1160 CB GLN A 77 -8.019 7.487 -4.072 1.00 0.00 C ATOM 1161 CG GLN A 77 -9.367 8.179 -4.194 1.00 0.00 C ATOM 1162 CD GLN A 77 -10.445 7.505 -3.368 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -10.636 6.292 -3.446 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -11.157 8.292 -2.569 1.00 0.00 N ATOM 0 H GLN A 77 -6.913 9.143 -2.606 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.506 6.847 -2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.253 8.120 -4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.042 6.561 -4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.268 9.217 -3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.671 8.192 -5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.965 9.293 -2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.896 7.895 -1.989 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.914 4.979 -1.868 1.00 0.00 N ATOM 1174 CA ILE A 78 -6.025 3.828 -1.765 1.00 0.00 C ATOM 1175 C ILE A 78 -6.245 2.858 -2.920 1.00 0.00 C ATOM 1176 O ILE A 78 -7.365 2.409 -3.162 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.225 3.079 -0.434 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -5.990 4.023 0.748 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.292 1.880 -0.355 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.251 4.695 1.245 1.00 0.00 C ATOM 0 H ILE A 78 -7.776 4.895 -1.330 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.006 4.212 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.253 2.718 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.540 3.462 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.272 4.788 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.445 1.361 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.503 1.200 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.258 2.219 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.009 5.349 2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.691 5.284 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.963 3.937 1.571 1.00 0.00 H new ATOM 1192 N SER A 79 -5.168 2.536 -3.629 1.00 0.00 N ATOM 1193 CA SER A 79 -5.243 1.619 -4.760 1.00 0.00 C ATOM 1194 C SER A 79 -4.098 0.612 -4.720 1.00 0.00 C ATOM 1195 O SER A 79 -3.037 0.884 -4.157 1.00 0.00 O ATOM 1196 CB SER A 79 -5.208 2.397 -6.077 1.00 0.00 C ATOM 1197 OG SER A 79 -6.369 3.195 -6.229 1.00 0.00 O ATOM 0 H SER A 79 -4.233 2.897 -3.440 1.00 0.00 H new ATOM 0 HA SER A 79 -6.185 1.074 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.321 3.030 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.129 1.701 -6.912 1.00 0.00 H new ATOM 0 HG SER A 79 -6.322 3.683 -7.077 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.320 -0.551 -5.323 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.307 -1.599 -5.358 1.00 0.00 C ATOM 1205 C ILE A 80 -2.959 -1.980 -6.793 1.00 0.00 C ATOM 1206 O ILE A 80 -3.845 -2.193 -7.621 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.773 -2.858 -4.603 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -4.086 -2.518 -3.144 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.713 -3.946 -4.684 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.843 -3.609 -2.419 1.00 0.00 C ATOM 0 H ILE A 80 -5.192 -0.791 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.421 -1.198 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.684 -3.230 -5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.152 -2.322 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.670 -1.598 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.057 -4.829 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.535 -4.203 -5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.787 -3.586 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.031 -3.300 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.793 -3.789 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.252 -4.525 -2.421 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.664 -2.064 -7.079 1.00 0.00 N ATOM 1223 CA ARG A 81 -1.199 -2.420 -8.414 1.00 0.00 C ATOM 1224 C ARG A 81 -0.387 -3.712 -8.381 1.00 0.00 C ATOM 1225 O ARG A 81 0.122 -4.109 -7.334 1.00 0.00 O ATOM 1226 CB ARG A 81 -0.353 -1.289 -9.001 1.00 0.00 C ATOM 1227 CG ARG A 81 -1.159 -0.275 -9.796 1.00 0.00 C ATOM 1228 CD ARG A 81 -2.072 0.541 -8.894 1.00 0.00 C ATOM 1229 NE ARG A 81 -2.975 1.396 -9.659 1.00 0.00 N ATOM 1230 CZ ARG A 81 -2.592 2.515 -10.263 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -1.329 2.912 -10.192 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -3.473 3.240 -10.941 1.00 0.00 N ATOM 0 H ARG A 81 -0.919 -1.891 -6.405 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.073 -2.577 -9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.164 -0.775 -8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.414 -1.718 -9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.482 0.392 -10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.756 -0.792 -10.548 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.655 -0.131 -8.265 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.468 1.156 -8.228 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.954 1.119 -9.734 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.649 2.358 -9.672 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.038 3.772 -10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.446 2.938 -10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.178 4.099 -11.404 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.273 -4.363 -9.534 1.00 0.00 N ATOM 1247 CA ASN A 82 0.476 -5.611 -9.636 1.00 0.00 C ATOM 1248 C ASN A 82 0.189 -6.516 -8.443 1.00 0.00 C ATOM 1249 O ASN A 82 1.097 -7.034 -7.793 1.00 0.00 O ATOM 1250 CB ASN A 82 1.976 -5.324 -9.725 1.00 0.00 C ATOM 1251 CG ASN A 82 2.425 -4.280 -8.721 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.570 -4.567 -7.532 1.00 0.00 O ATOM 1253 ND2 ASN A 82 2.647 -3.059 -9.195 1.00 0.00 N ATOM 0 H ASN A 82 -0.689 -4.048 -10.410 1.00 0.00 H new ATOM 0 HA ASN A 82 0.157 -6.124 -10.543 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.530 -6.247 -9.558 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.219 -4.984 -10.732 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.950 -2.315 -8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.514 -2.865 -10.188 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.104 -6.713 -8.146 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.541 -7.558 -7.031 1.00 0.00 C ATOM 1262 C PRO A 83 -1.272 -9.037 -7.283 1.00 0.00 C ATOM 1263 O PRO A 83 -2.086 -9.730 -7.894 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.047 -7.293 -6.954 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.427 -6.869 -8.330 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.240 -6.127 -8.878 1.00 0.00 C ATOM 0 HA PRO A 83 -1.006 -7.326 -6.110 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.591 -8.187 -6.651 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.276 -6.517 -6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.669 -7.731 -8.951 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.311 -6.232 -8.312 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.140 -6.268 -9.954 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.321 -5.054 -8.703 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.126 -9.515 -6.810 1.00 0.00 N ATOM 1275 CA ARG A 84 0.249 -10.913 -6.985 1.00 0.00 C ATOM 1276 C ARG A 84 0.150 -11.673 -5.666 1.00 0.00 C ATOM 1277 O ARG A 84 0.360 -11.107 -4.594 1.00 0.00 O ATOM 1278 CB ARG A 84 1.672 -11.015 -7.539 1.00 0.00 C ATOM 1279 CG ARG A 84 1.932 -12.295 -8.316 1.00 0.00 C ATOM 1280 CD ARG A 84 3.008 -12.096 -9.373 1.00 0.00 C ATOM 1281 NE ARG A 84 2.523 -11.313 -10.507 1.00 0.00 N ATOM 1282 CZ ARG A 84 3.100 -11.316 -11.703 1.00 0.00 C ATOM 1283 NH1 ARG A 84 4.178 -12.058 -11.920 1.00 0.00 N ATOM 1284 NH2 ARG A 84 2.600 -10.577 -12.685 1.00 0.00 N ATOM 0 H ARG A 84 0.559 -8.955 -6.303 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.445 -11.363 -7.696 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.862 -10.161 -8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.380 -10.951 -6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.237 -13.084 -7.628 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.009 -12.627 -8.792 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.866 -11.594 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.355 -13.068 -9.725 1.00 0.00 H new ATOM 0 HE ARG A 84 1.696 -10.732 -10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.565 -12.628 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.620 -12.059 -12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.771 -10.005 -12.522 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.045 -10.581 -13.603 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.174 -12.960 -5.753 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.296 -13.776 -4.559 1.00 0.00 C ATOM 1300 C GLY A 85 -1.696 -13.746 -3.977 1.00 0.00 C ATOM 1301 O GLY A 85 -2.182 -14.751 -3.458 1.00 0.00 O ATOM 0 H GLY A 85 -0.354 -13.452 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.027 -14.805 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.413 -13.426 -3.809 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.344 -12.590 -4.061 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.697 -12.431 -3.537 1.00 0.00 C ATOM 1307 C LEU A 86 -4.734 -12.629 -4.638 1.00 0.00 C ATOM 1308 O LEU A 86 -4.388 -12.836 -5.801 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.862 -11.047 -2.907 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.890 -10.703 -1.778 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.693 -9.199 -1.683 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -3.391 -11.262 -0.454 1.00 0.00 C ATOM 0 H LEU A 86 -1.955 -11.749 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.856 -13.192 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.756 -10.298 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.878 -10.964 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.927 -11.161 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.998 -8.973 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.289 -8.825 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.651 -8.718 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.687 -11.008 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.366 -10.833 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.479 -12.346 -0.527 1.00 0.00 H new ATOM 1324 N SER A 87 -6.007 -12.561 -4.263 1.00 0.00 N ATOM 1325 CA SER A 87 -7.096 -12.733 -5.219 1.00 0.00 C ATOM 1326 C SER A 87 -8.004 -11.507 -5.235 1.00 0.00 C ATOM 1327 O SER A 87 -8.091 -10.772 -4.251 1.00 0.00 O ATOM 1328 CB SER A 87 -7.911 -13.981 -4.875 1.00 0.00 C ATOM 1329 OG SER A 87 -8.401 -13.921 -3.546 1.00 0.00 O ATOM 0 H SER A 87 -6.310 -12.388 -3.305 1.00 0.00 H new ATOM 0 HA SER A 87 -6.661 -12.853 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.746 -14.077 -5.569 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.291 -14.869 -4.997 1.00 0.00 H new ATOM 0 HG SER A 87 -8.920 -14.729 -3.352 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.678 -11.294 -6.360 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.580 -10.158 -6.506 1.00 0.00 C ATOM 1337 C ASP A 88 -10.400 -9.948 -5.236 1.00 0.00 C ATOM 1338 O ASP A 88 -10.571 -8.819 -4.777 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.512 -10.370 -7.700 1.00 0.00 C ATOM 1340 CG ASP A 88 -11.378 -9.158 -7.981 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -11.679 -8.409 -7.028 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -11.754 -8.957 -9.155 1.00 0.00 O ATOM 0 H ASP A 88 -8.617 -11.893 -7.183 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.977 -9.267 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.918 -10.601 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.150 -11.233 -7.510 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.904 -11.043 -4.676 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.707 -10.977 -3.461 1.00 0.00 C ATOM 1349 C GLU A 89 -10.911 -10.361 -2.314 1.00 0.00 C ATOM 1350 O GLU A 89 -11.377 -9.438 -1.647 1.00 0.00 O ATOM 1351 CB GLU A 89 -12.191 -12.375 -3.067 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.397 -12.848 -3.861 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.908 -14.198 -3.397 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -14.394 -14.287 -2.251 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -13.821 -15.166 -4.182 1.00 0.00 O ATOM 0 H GLU A 89 -10.771 -11.985 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.571 -10.343 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.375 -13.085 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.441 -12.378 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.196 -12.112 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.132 -12.907 -4.917 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.707 -10.879 -2.092 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.846 -10.381 -1.026 1.00 0.00 C ATOM 1364 C GLN A 90 -8.423 -8.941 -1.297 1.00 0.00 C ATOM 1365 O GLN A 90 -8.697 -8.043 -0.500 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.610 -11.270 -0.883 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.899 -12.614 -0.233 1.00 0.00 C ATOM 1368 CD GLN A 90 -6.639 -13.406 0.055 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -6.327 -13.699 1.210 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.906 -13.756 -0.995 1.00 0.00 N ATOM 0 H GLN A 90 -9.306 -11.643 -2.636 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.412 -10.405 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.178 -11.438 -1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.860 -10.744 -0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.443 -12.454 0.698 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.549 -13.197 -0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.202 -13.492 -1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.047 -14.289 -0.862 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.754 -8.728 -2.425 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.293 -7.397 -2.800 1.00 0.00 C ATOM 1381 C ILE A 91 -8.325 -6.335 -2.434 1.00 0.00 C ATOM 1382 O ILE A 91 -8.012 -5.361 -1.749 1.00 0.00 O ATOM 1383 CB ILE A 91 -6.996 -7.309 -4.308 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -5.894 -8.299 -4.692 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.596 -5.890 -4.687 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -5.980 -8.772 -6.126 1.00 0.00 C ATOM 0 H ILE A 91 -7.519 -9.460 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.373 -7.213 -2.245 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.901 -7.570 -4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.923 -7.830 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.946 -9.163 -4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.389 -5.844 -5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.409 -5.206 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.703 -5.603 -4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.168 -9.471 -6.328 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.936 -9.270 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.898 -7.917 -6.797 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.557 -6.532 -2.892 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.636 -5.592 -2.611 1.00 0.00 C ATOM 1400 C HIS A 92 -10.816 -5.406 -1.107 1.00 0.00 C ATOM 1401 O HIS A 92 -10.773 -4.285 -0.599 1.00 0.00 O ATOM 1402 CB HIS A 92 -11.943 -6.081 -3.236 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.088 -5.135 -3.048 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -13.549 -4.302 -4.046 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.868 -4.893 -1.968 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -14.562 -3.588 -3.588 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.776 -3.928 -2.330 1.00 0.00 N ATOM 0 H HIS A 92 -9.833 -7.334 -3.459 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.370 -4.630 -3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.788 -6.243 -4.303 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.205 -7.046 -2.802 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -13.791 -5.370 -1.002 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -15.120 -2.852 -4.147 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.498 -3.537 -1.725 1.00 0.00 H new ATOM 1416 N THR A 93 -11.020 -6.513 -0.399 1.00 0.00 N ATOM 1417 CA THR A 93 -11.209 -6.472 1.045 1.00 0.00 C ATOM 1418 C THR A 93 -10.197 -5.542 1.706 1.00 0.00 C ATOM 1419 O THR A 93 -10.561 -4.691 2.518 1.00 0.00 O ATOM 1420 CB THR A 93 -11.082 -7.875 1.668 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.900 -8.806 0.950 1.00 0.00 O ATOM 1422 CG2 THR A 93 -11.493 -7.856 3.133 1.00 0.00 C ATOM 0 H THR A 93 -11.058 -7.449 -0.803 1.00 0.00 H new ATOM 0 HA THR A 93 -12.216 -6.094 1.221 1.00 0.00 H new ATOM 0 HB THR A 93 -10.039 -8.184 1.604 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.473 -9.025 0.096 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.395 -8.858 3.551 1.00 0.00 H new ATOM 0 HG22 THR A 93 -10.850 -7.169 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 93 -12.529 -7.528 3.216 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.928 -5.710 1.353 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.865 -4.883 1.911 1.00 0.00 C ATOM 1432 C ILE A 94 -8.202 -3.401 1.794 1.00 0.00 C ATOM 1433 O ILE A 94 -8.029 -2.637 2.745 1.00 0.00 O ATOM 1434 CB ILE A 94 -6.519 -5.148 1.210 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -6.150 -6.629 1.310 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -5.426 -4.282 1.818 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.985 -7.023 0.429 1.00 0.00 C ATOM 0 H ILE A 94 -8.610 -6.411 0.683 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.777 -5.151 2.964 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.618 -4.888 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.908 -6.865 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.018 -7.230 1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.481 -4.481 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.687 -3.230 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.326 -4.514 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.780 -8.086 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.231 -6.819 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.103 -6.448 0.713 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.687 -3.000 0.624 1.00 0.00 N ATOM 1450 CA LEU A 95 -9.052 -1.608 0.383 1.00 0.00 C ATOM 1451 C LEU A 95 -10.158 -1.163 1.334 1.00 0.00 C ATOM 1452 O LEU A 95 -10.030 -0.148 2.018 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.503 -1.423 -1.067 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.497 -1.835 -2.141 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.129 -1.759 -3.522 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.255 -0.959 -2.073 1.00 0.00 C ATOM 0 H LEU A 95 -8.837 -3.619 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.173 -0.990 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.419 -1.995 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.754 -0.373 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.200 -2.867 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.398 -2.056 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.988 -2.429 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.455 -0.737 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.550 -1.267 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.535 0.082 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.789 -1.064 -1.093 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.243 -1.930 1.371 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.371 -1.615 2.240 1.00 0.00 C ATOM 1470 C GLN A 96 -11.890 -1.139 3.606 1.00 0.00 C ATOM 1471 O GLN A 96 -12.216 -0.034 4.041 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.275 -2.838 2.401 1.00 0.00 C ATOM 1473 CG GLN A 96 -13.889 -3.318 1.096 1.00 0.00 C ATOM 1474 CD GLN A 96 -15.166 -2.579 0.746 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -15.125 -1.803 -0.331 1.00 0.00 O flip ATOM 1476 NE2 GLN A 96 -16.178 -2.703 1.436 1.00 0.00 N flip ATOM 0 H GLN A 96 -11.365 -2.773 0.810 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.941 -0.810 1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -12.697 -3.651 2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -14.074 -2.599 3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -13.167 -3.189 0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -14.099 -4.385 1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -16.165 -3.310 2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -17.029 -2.199 1.188 1.00 0.00 H new ATOM 1485 N VAL A 97 -11.113 -1.981 4.281 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.586 -1.646 5.598 1.00 0.00 C ATOM 1487 C VAL A 97 -9.881 -0.294 5.581 1.00 0.00 C ATOM 1488 O VAL A 97 -10.403 0.697 6.093 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.601 -2.719 6.098 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -9.033 -2.332 7.455 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -10.283 -4.078 6.164 1.00 0.00 C ATOM 0 H VAL A 97 -10.835 -2.900 3.937 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.438 -1.600 6.277 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.774 -2.786 5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.339 -3.102 7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.507 -1.381 7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.845 -2.235 8.175 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.573 -4.825 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.129 -4.027 6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.636 -4.357 5.171 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.692 -0.260 4.989 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.915 0.971 4.904 1.00 0.00 C ATOM 1503 C LEU A 98 -8.821 2.171 4.651 1.00 0.00 C ATOM 1504 O LEU A 98 -8.770 3.164 5.376 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.871 0.862 3.790 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.773 -0.181 3.999 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -5.099 -0.519 2.678 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.750 0.316 5.010 1.00 0.00 C ATOM 0 H LEU A 98 -8.245 -1.071 4.561 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.407 1.118 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.387 0.635 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.399 1.837 3.665 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.231 -1.089 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.320 -1.263 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.838 -0.919 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.655 0.382 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.976 -0.439 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.297 1.238 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.243 0.506 5.963 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.652 2.072 3.618 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.560 3.156 3.290 1.00 0.00 C ATOM 1522 C GLY A 99 -11.071 3.878 4.521 1.00 0.00 C ATOM 1523 O GLY A 99 -11.101 5.108 4.560 1.00 0.00 O ATOM 0 H GLY A 99 -9.713 1.261 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.051 3.868 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.406 2.760 2.728 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.474 3.112 5.530 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.987 3.686 6.768 1.00 0.00 C ATOM 1529 C HIS A 100 -10.884 4.419 7.525 1.00 0.00 C ATOM 1530 O HIS A 100 -11.004 5.607 7.823 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.589 2.593 7.651 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.586 2.932 9.110 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -13.211 4.049 9.624 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -12.031 2.294 10.166 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -13.038 4.083 10.934 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -12.326 3.029 11.288 1.00 0.00 N ATOM 0 H HIS A 100 -11.455 2.092 5.514 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.766 4.404 6.511 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.614 2.404 7.333 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -12.032 1.668 7.500 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.462 1.377 10.133 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.415 4.844 11.601 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -12.041 2.798 12.240 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.808 3.701 7.835 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.683 4.282 8.557 1.00 0.00 C ATOM 1547 C VAL A 101 -8.338 5.665 8.016 1.00 0.00 C ATOM 1548 O VAL A 101 -8.059 6.589 8.779 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.436 3.383 8.471 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.252 4.043 9.160 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.721 2.017 9.076 1.00 0.00 C ATOM 0 H VAL A 101 -9.693 2.716 7.597 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.987 4.369 9.600 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.183 3.244 7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.380 3.392 9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.034 4.995 8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.491 4.215 10.209 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.829 1.395 9.007 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.001 2.134 10.123 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.538 1.542 8.533 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.359 5.799 6.694 1.00 0.00 N ATOM 1562 CA ALA A 102 -8.051 7.070 6.050 1.00 0.00 C ATOM 1563 C ALA A 102 -8.830 8.213 6.690 1.00 0.00 C ATOM 1564 O ALA A 102 -8.246 9.190 7.160 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.351 6.993 4.560 1.00 0.00 C ATOM 0 H ALA A 102 -8.586 5.043 6.048 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.988 7.269 6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.116 7.949 4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.745 6.209 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.407 6.766 4.413 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.153 8.086 6.705 1.00 0.00 N ATOM 1572 CA LYS A 103 -11.014 9.108 7.289 1.00 0.00 C ATOM 1573 C LYS A 103 -10.787 9.216 8.793 1.00 0.00 C ATOM 1574 O LYS A 103 -10.704 10.316 9.340 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.483 8.789 7.005 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.892 9.037 5.564 1.00 0.00 C ATOM 1577 CD LYS A 103 -14.215 8.365 5.236 1.00 0.00 C ATOM 1578 CE LYS A 103 -14.031 6.882 4.952 1.00 0.00 C ATOM 1579 NZ LYS A 103 -13.580 6.637 3.554 1.00 0.00 N ATOM 0 H LYS A 103 -10.652 7.285 6.319 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.762 10.065 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.674 7.745 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.110 9.393 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.974 10.109 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.117 8.662 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.906 8.494 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.666 8.849 4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.301 6.467 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.971 6.359 5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.303 6.088 3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.434 7.547 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.687 6.105 3.566 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.687 8.069 9.456 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.466 8.035 10.897 1.00 0.00 C ATOM 1595 C ALA A 104 -9.280 8.909 11.291 1.00 0.00 C ATOM 1596 O ALA A 104 -9.172 9.346 12.436 1.00 0.00 O ATOM 1597 CB ALA A 104 -10.248 6.604 11.364 1.00 0.00 C ATOM 0 H ALA A 104 -10.756 7.150 9.018 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.355 8.433 11.386 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.084 6.594 12.442 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.127 6.005 11.125 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.376 6.186 10.861 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.392 9.161 10.334 1.00 0.00 N ATOM 1604 CA GLY A 105 -7.225 9.981 10.601 1.00 0.00 C ATOM 1605 C GLY A 105 -7.182 11.227 9.739 1.00 0.00 C ATOM 1606 O GLY A 105 -6.132 11.585 9.204 1.00 0.00 O ATOM 0 H GLY A 105 -8.460 8.812 9.378 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.221 10.270 11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.324 9.392 10.428 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.325 11.889 9.601 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.415 13.102 8.795 1.00 0.00 C ATOM 1612 C LEU A 106 -8.083 14.335 9.629 1.00 0.00 C ATOM 1613 O LEU A 106 -8.292 14.352 10.842 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.816 13.238 8.197 1.00 0.00 C ATOM 1615 CG LEU A 106 -10.016 12.627 6.810 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.498 12.486 6.498 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.325 13.473 5.750 1.00 0.00 C ATOM 0 H LEU A 106 -9.203 11.607 10.037 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.688 13.027 7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.528 12.776 8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.066 14.298 8.145 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.567 11.634 6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.621 12.049 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.966 11.839 7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.970 13.468 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.478 13.023 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.744 14.479 5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.257 13.523 5.964 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.566 15.368 8.970 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.216 16.592 9.666 1.00 0.00 C ATOM 1631 C GLY A 107 -5.759 16.627 10.082 1.00 0.00 C ATOM 1632 O GLY A 107 -5.175 17.699 10.241 1.00 0.00 O ATOM 0 H GLY A 107 -7.383 15.379 7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.427 17.446 9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.845 16.696 10.550 1.00 0.00 H new ATOM 1636 N THR A 108 -5.168 15.449 10.259 1.00 0.00 N ATOM 1637 CA THR A 108 -3.771 15.348 10.662 1.00 0.00 C ATOM 1638 C THR A 108 -3.037 14.294 9.841 1.00 0.00 C ATOM 1639 O THR A 108 -3.652 13.544 9.083 1.00 0.00 O ATOM 1640 CB THR A 108 -3.640 15.001 12.157 1.00 0.00 C ATOM 1641 OG1 THR A 108 -4.376 13.808 12.449 1.00 0.00 O ATOM 1642 CG2 THR A 108 -4.150 16.142 13.024 1.00 0.00 C ATOM 0 H THR A 108 -5.636 14.552 10.129 1.00 0.00 H new ATOM 0 HA THR A 108 -3.320 16.324 10.483 1.00 0.00 H new ATOM 0 HB THR A 108 -2.585 14.840 12.379 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.286 13.593 13.401 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.047 15.874 14.076 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.569 17.041 12.820 1.00 0.00 H new ATOM 0 HG23 THR A 108 -5.200 16.329 12.798 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.718 14.241 9.997 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.901 13.276 9.272 1.00 0.00 C ATOM 1652 C ALA A 109 -1.505 11.878 9.349 1.00 0.00 C ATOM 1653 O ALA A 109 -1.784 11.371 10.436 1.00 0.00 O ATOM 1654 CB ALA A 109 0.519 13.271 9.819 1.00 0.00 C ATOM 0 H ALA A 109 -1.193 14.855 10.619 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.874 13.574 8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.118 12.546 9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.956 14.263 9.706 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.501 13.000 10.875 1.00 0.00 H new ATOM 1660 N MET A 110 -1.704 11.259 8.190 1.00 0.00 N ATOM 1661 CA MET A 110 -2.274 9.919 8.127 1.00 0.00 C ATOM 1662 C MET A 110 -1.371 8.980 7.334 1.00 0.00 C ATOM 1663 O MET A 110 -1.290 7.786 7.625 1.00 0.00 O ATOM 1664 CB MET A 110 -3.666 9.963 7.494 1.00 0.00 C ATOM 1665 CG MET A 110 -3.742 10.841 6.255 1.00 0.00 C ATOM 1666 SD MET A 110 -5.196 10.494 5.247 1.00 0.00 S ATOM 1667 CE MET A 110 -6.262 11.858 5.709 1.00 0.00 C ATOM 0 H MET A 110 -1.479 11.664 7.282 1.00 0.00 H new ATOM 0 HA MET A 110 -2.358 9.539 9.145 1.00 0.00 H new ATOM 0 HB2 MET A 110 -3.969 8.950 7.230 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.381 10.327 8.232 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.755 11.888 6.557 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.844 10.694 5.654 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.290 11.505 5.788 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.941 12.261 6.670 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.204 12.639 4.950 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.694 9.526 6.330 1.00 0.00 N ATOM 1678 CA LEU A 111 0.204 8.737 5.494 1.00 0.00 C ATOM 1679 C LEU A 111 0.887 7.643 6.309 1.00 0.00 C ATOM 1680 O LEU A 111 0.887 6.475 5.921 1.00 0.00 O ATOM 1681 CB LEU A 111 1.257 9.640 4.848 1.00 0.00 C ATOM 1682 CG LEU A 111 0.729 10.898 4.158 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.881 11.748 3.644 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.212 10.528 3.020 1.00 0.00 C ATOM 0 H LEU A 111 -0.750 10.512 6.075 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.390 8.264 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.968 9.943 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.810 9.053 4.115 1.00 0.00 H new ATOM 0 HG LEU A 111 0.170 11.483 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.486 12.639 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.516 12.043 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.467 11.172 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.578 11.436 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.322 9.922 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.055 9.961 3.415 1.00 0.00 H new ATOM 1696 N TYR A 112 1.465 8.030 7.440 1.00 0.00 N ATOM 1697 CA TYR A 112 2.152 7.083 8.310 1.00 0.00 C ATOM 1698 C TYR A 112 1.238 5.915 8.672 1.00 0.00 C ATOM 1699 O TYR A 112 1.560 4.757 8.408 1.00 0.00 O ATOM 1700 CB TYR A 112 2.632 7.782 9.583 1.00 0.00 C ATOM 1701 CG TYR A 112 3.506 6.913 10.458 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.821 6.636 10.104 1.00 0.00 C ATOM 1703 CD2 TYR A 112 3.017 6.368 11.639 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.623 5.842 10.901 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.813 5.574 12.443 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.115 5.314 12.069 1.00 0.00 C ATOM 1707 OH TYR A 112 5.910 4.522 12.866 1.00 0.00 O ATOM 0 H TYR A 112 1.472 8.993 7.776 1.00 0.00 H new ATOM 0 HA TYR A 112 3.015 6.693 7.770 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.186 8.679 9.308 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.765 8.107 10.158 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.223 7.048 9.190 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.997 6.568 11.934 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.643 5.636 10.611 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.418 5.160 13.359 1.00 0.00 H new ATOM 0 HH TYR A 112 5.400 4.232 13.651 1.00 0.00 H new ATOM 1717 N GLU A 113 0.098 6.231 9.279 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.862 5.208 9.677 1.00 0.00 C ATOM 1719 C GLU A 113 -1.277 4.355 8.482 1.00 0.00 C ATOM 1720 O GLU A 113 -0.970 3.164 8.419 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.097 5.855 10.309 1.00 0.00 C ATOM 1722 CG GLU A 113 -1.986 6.038 11.813 1.00 0.00 C ATOM 1723 CD GLU A 113 -2.851 7.172 12.328 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -3.012 8.173 11.599 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -3.366 7.058 13.460 1.00 0.00 O ATOM 0 H GLU A 113 -0.183 7.185 9.505 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.382 4.562 10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.265 6.827 9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.971 5.241 10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.274 5.112 12.310 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.946 6.231 12.076 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.976 4.973 7.536 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.434 4.271 6.342 1.00 0.00 C ATOM 1734 C LEU A 114 -1.400 3.249 5.881 1.00 0.00 C ATOM 1735 O LEU A 114 -1.723 2.082 5.659 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.719 5.269 5.218 1.00 0.00 C ATOM 1737 CG LEU A 114 -4.120 5.883 5.204 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -4.159 7.102 4.296 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -5.149 4.853 4.762 1.00 0.00 C ATOM 0 H LEU A 114 -2.238 5.958 7.573 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.354 3.742 6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.991 6.077 5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.554 4.768 4.264 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.367 6.202 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.163 7.526 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.450 7.847 4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.892 6.808 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.140 5.307 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.906 4.503 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.139 4.010 5.452 1.00 0.00 H new ATOM 1751 N ILE A 115 -0.157 3.696 5.740 1.00 0.00 N ATOM 1752 CA ILE A 115 0.925 2.820 5.308 1.00 0.00 C ATOM 1753 C ILE A 115 1.123 1.668 6.288 1.00 0.00 C ATOM 1754 O ILE A 115 1.208 0.508 5.887 1.00 0.00 O ATOM 1755 CB ILE A 115 2.251 3.590 5.165 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.099 4.725 4.149 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.369 2.647 4.749 1.00 0.00 C ATOM 1758 CD1 ILE A 115 2.994 5.911 4.430 1.00 0.00 C ATOM 0 H ILE A 115 0.126 4.660 5.919 1.00 0.00 H new ATOM 0 HA ILE A 115 0.639 2.422 4.334 1.00 0.00 H new ATOM 0 HB ILE A 115 2.509 4.023 6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.319 4.342 3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.061 5.057 4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.300 3.206 4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.489 1.870 5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.120 2.188 3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.833 6.676 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.759 6.320 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.036 5.593 4.410 1.00 0.00 H new ATOM 1770 N GLU A 116 1.195 1.997 7.574 1.00 0.00 N ATOM 1771 CA GLU A 116 1.382 0.989 8.611 1.00 0.00 C ATOM 1772 C GLU A 116 0.353 -0.130 8.474 1.00 0.00 C ATOM 1773 O GLU A 116 0.700 -1.277 8.192 1.00 0.00 O ATOM 1774 CB GLU A 116 1.277 1.626 9.998 1.00 0.00 C ATOM 1775 CG GLU A 116 2.529 2.376 10.420 1.00 0.00 C ATOM 1776 CD GLU A 116 3.741 1.471 10.529 1.00 0.00 C ATOM 1777 OE1 GLU A 116 3.623 0.391 11.144 1.00 0.00 O ATOM 1778 OE2 GLU A 116 4.808 1.843 9.997 1.00 0.00 O ATOM 0 H GLU A 116 1.127 2.953 7.922 1.00 0.00 H new ATOM 0 HA GLU A 116 2.377 0.561 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.431 2.313 10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.066 0.847 10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.735 3.167 9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 116 2.353 2.858 11.381 1.00 0.00 H new ATOM 1785 N LYS A 117 -0.915 0.212 8.675 1.00 0.00 N ATOM 1786 CA LYS A 117 -1.996 -0.761 8.574 1.00 0.00 C ATOM 1787 C LYS A 117 -1.783 -1.689 7.382 1.00 0.00 C ATOM 1788 O LYS A 117 -1.976 -2.899 7.483 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.343 -0.046 8.443 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.528 -0.992 8.363 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.837 -1.614 9.715 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.816 -0.763 10.510 1.00 0.00 C ATOM 1793 NZ LYS A 117 -5.117 0.254 11.343 1.00 0.00 N ATOM 0 H LYS A 117 -1.219 1.157 8.909 1.00 0.00 H new ATOM 0 HA LYS A 117 -1.997 -1.361 9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.476 0.619 9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.327 0.580 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.403 -0.451 8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.318 -1.779 7.639 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.253 -2.611 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.913 -1.733 10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.502 -0.263 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.419 -1.406 11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.687 0.463 12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -4.189 -0.114 11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.986 1.125 10.790 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.382 -1.112 6.253 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.148 -1.903 5.059 1.00 0.00 C ATOM 1809 C GLY A 118 -0.545 -3.258 5.370 1.00 0.00 C ATOM 1810 O GLY A 118 -0.991 -4.280 4.847 1.00 0.00 O ATOM 0 H GLY A 118 -1.215 -0.112 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.090 -2.041 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.482 -1.357 4.390 1.00 0.00 H new ATOM 1814 N LYS A 119 0.474 -3.268 6.222 1.00 0.00 N ATOM 1815 CA LYS A 119 1.142 -4.508 6.602 1.00 0.00 C ATOM 1816 C LYS A 119 0.213 -5.395 7.425 1.00 0.00 C ATOM 1817 O LYS A 119 -0.083 -6.525 7.038 1.00 0.00 O ATOM 1818 CB LYS A 119 2.412 -4.203 7.399 1.00 0.00 C ATOM 1819 CG LYS A 119 3.387 -3.297 6.668 1.00 0.00 C ATOM 1820 CD LYS A 119 4.688 -3.142 7.436 1.00 0.00 C ATOM 1821 CE LYS A 119 5.377 -1.826 7.106 1.00 0.00 C ATOM 1822 NZ LYS A 119 6.696 -1.705 7.787 1.00 0.00 N ATOM 0 H LYS A 119 0.856 -2.431 6.663 1.00 0.00 H new ATOM 0 HA LYS A 119 1.412 -5.041 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.134 -3.736 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.912 -5.140 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.594 -3.706 5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.933 -2.317 6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.488 -3.191 8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.353 -3.972 7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.517 -1.749 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.737 -0.996 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.134 -0.795 7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.561 -1.753 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 7.316 -2.483 7.483 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.243 -4.875 8.560 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.139 -5.622 9.435 1.00 0.00 C ATOM 1838 C GLU A 120 -2.130 -6.450 8.622 1.00 0.00 C ATOM 1839 O GLU A 120 -2.276 -7.653 8.842 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.895 -4.667 10.362 1.00 0.00 C ATOM 1841 CG GLU A 120 -1.041 -4.105 11.485 1.00 0.00 C ATOM 1842 CD GLU A 120 -0.142 -5.152 12.115 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -0.626 -6.276 12.364 1.00 0.00 O ATOM 1844 OE2 GLU A 120 1.044 -4.847 12.359 1.00 0.00 O ATOM 0 H GLU A 120 -0.007 -3.941 8.895 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.535 -6.300 10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.294 -3.842 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.748 -5.192 10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.428 -3.291 11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.689 -3.680 12.251 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.807 -5.798 7.684 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.783 -6.473 6.838 1.00 0.00 C ATOM 1853 C ILE A 121 -3.240 -7.803 6.326 1.00 0.00 C ATOM 1854 O ILE A 121 -3.753 -8.869 6.669 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.186 -5.600 5.635 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.850 -4.308 6.116 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.118 -6.369 4.711 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -4.807 -3.191 5.096 1.00 0.00 C ATOM 0 H ILE A 121 -2.698 -4.803 7.490 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.663 -6.655 7.455 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.287 -5.339 5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.889 -4.516 6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.358 -3.974 7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.394 -5.739 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.613 -7.264 4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.016 -6.657 5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.296 -2.306 5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.770 -2.955 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.325 -3.506 4.190 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.198 -7.734 5.505 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.582 -8.933 4.947 1.00 0.00 C ATOM 1872 C LEU A 122 -1.482 -10.033 5.998 1.00 0.00 C ATOM 1873 O LEU A 122 -1.905 -11.166 5.767 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.192 -8.608 4.398 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.154 -7.898 3.044 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.275 -7.534 2.673 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.782 -8.770 1.967 1.00 0.00 C ATOM 0 H LEU A 122 -1.762 -6.860 5.211 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.213 -9.290 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.328 -7.986 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.370 -9.538 4.314 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.733 -6.978 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.283 -7.030 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.690 -6.871 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.878 -8.440 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.746 -8.249 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.231 -9.707 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.819 -8.979 2.228 1.00 0.00 H new