USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 812 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 87 THR OG1 : rot 111:sc= 0.0445 USER MOD Set 1.2: A 101 SER OG : rot 80:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -111:sc= 0.369 (180deg=-0.634) USER MOD Single : A 17 ASN : amide:sc= -3.86! C(o=-3.9!,f=-5.6!) USER MOD Single : A 19 ASN : amide:sc=-0.00218 X(o=-0.0022,f=-0.0055) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 178:sc=-0.000272 (180deg=-0.0316) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0352) USER MOD Single : A 31 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.1) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 75:sc= 0.538 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.528 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -105:sc= -0.914 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.818 K(o=-0.82,f=-0.096) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= -0.129 (180deg=-0.718) USER MOD Single : A 86 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-3.4!) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc=-0.00803 (180deg=-0.263) USER MOD Single : A 92 HIS : no HD1:sc= -2.76! K(o=-2.8!,f=-1.9) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.59 USER MOD Single : A 98 TYR OH : rot 30:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.585 K(o=-0.59,f=-2.6!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 115 MET CE :methyl -167:sc= -0.0177 (180deg=-0.36) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.711 3.429 -6.652 1.00 0.00 N ATOM 177 CA LYS A 15 -12.581 2.320 -6.280 1.00 0.00 C ATOM 178 C LYS A 15 -12.049 1.002 -6.833 1.00 0.00 C ATOM 179 O LYS A 15 -11.198 0.990 -7.722 1.00 0.00 O ATOM 180 CB LYS A 15 -14.001 2.565 -6.795 1.00 0.00 C ATOM 181 CG LYS A 15 -14.123 2.484 -8.306 1.00 0.00 C ATOM 182 CD LYS A 15 -15.504 2.013 -8.730 1.00 0.00 C ATOM 183 CE LYS A 15 -15.568 0.497 -8.835 1.00 0.00 C ATOM 184 NZ LYS A 15 -15.899 -0.136 -7.528 1.00 0.00 N ATOM 0 HA LYS A 15 -12.601 2.255 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.673 1.834 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.333 3.549 -6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.922 3.463 -8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.369 1.801 -8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.245 2.360 -8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.761 2.457 -9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.317 0.216 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.610 0.117 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.069 -0.652 -7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.168 0.600 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.691 -0.798 -7.654 1.00 0.00 H new ATOM 198 N ARG A 16 -12.557 -0.105 -6.301 1.00 0.00 N ATOM 199 CA ARG A 16 -12.132 -1.428 -6.742 1.00 0.00 C ATOM 200 C ARG A 16 -13.178 -2.058 -7.658 1.00 0.00 C ATOM 201 O ARG A 16 -14.316 -2.285 -7.252 1.00 0.00 O ATOM 202 CB ARG A 16 -11.884 -2.336 -5.535 1.00 0.00 C ATOM 203 CG ARG A 16 -11.686 -3.797 -5.903 1.00 0.00 C ATOM 204 CD ARG A 16 -10.252 -4.077 -6.324 1.00 0.00 C ATOM 205 NE ARG A 16 -9.881 -5.473 -6.109 1.00 0.00 N ATOM 206 CZ ARG A 16 -10.361 -6.480 -6.830 1.00 0.00 C ATOM 207 NH1 ARG A 16 -11.225 -6.247 -7.808 1.00 0.00 N ATOM 208 NH2 ARG A 16 -9.976 -7.724 -6.575 1.00 0.00 N ATOM 0 H ARG A 16 -13.263 -0.112 -5.565 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.203 -1.316 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.003 -1.982 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.728 -2.254 -4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.946 -4.426 -5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.363 -4.064 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.128 -3.827 -7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.577 -3.432 -5.762 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.217 -5.686 -5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.523 -5.292 -8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.592 -7.022 -8.360 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.310 -7.908 -5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.346 -8.496 -7.130 1.00 0.00 H new ATOM 222 N ASN A 17 -12.782 -2.335 -8.896 1.00 0.00 N ATOM 223 CA ASN A 17 -13.685 -2.937 -9.871 1.00 0.00 C ATOM 224 C ASN A 17 -13.449 -4.441 -9.975 1.00 0.00 C ATOM 225 O ASN A 17 -12.313 -4.915 -10.004 1.00 0.00 O ATOM 226 CB ASN A 17 -13.498 -2.284 -11.241 1.00 0.00 C ATOM 227 CG ASN A 17 -14.047 -0.871 -11.289 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.261 -0.666 -11.322 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.154 0.111 -11.292 1.00 0.00 N ATOM 0 H ASN A 17 -11.842 -2.152 -9.248 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.708 -2.770 -9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.437 -2.267 -11.490 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -13.994 -2.889 -12.000 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.464 1.082 -11.323 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.158 -0.106 -11.264 1.00 0.00 H new ATOM 236 N PRO A 18 -14.547 -5.209 -10.032 1.00 0.00 N ATOM 237 CA PRO A 18 -14.486 -6.670 -10.135 1.00 0.00 C ATOM 238 C PRO A 18 -13.970 -7.135 -11.493 1.00 0.00 C ATOM 239 O PRO A 18 -13.257 -8.133 -11.588 1.00 0.00 O ATOM 240 CB PRO A 18 -15.942 -7.101 -9.940 1.00 0.00 C ATOM 241 CG PRO A 18 -16.746 -5.922 -10.367 1.00 0.00 C ATOM 242 CD PRO A 18 -15.932 -4.711 -10.002 1.00 0.00 C ATOM 0 HA PRO A 18 -13.798 -7.101 -9.407 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.179 -7.980 -10.540 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.142 -7.361 -8.901 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.943 -5.951 -11.439 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.714 -5.907 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.082 -3.897 -10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.200 -4.328 -9.017 1.00 0.00 H new ATOM 250 N ASN A 19 -14.336 -6.404 -12.541 1.00 0.00 N ATOM 251 CA ASN A 19 -13.910 -6.741 -13.894 1.00 0.00 C ATOM 252 C ASN A 19 -12.393 -6.648 -14.027 1.00 0.00 C ATOM 253 O ASN A 19 -11.769 -7.453 -14.716 1.00 0.00 O ATOM 254 CB ASN A 19 -14.579 -5.812 -14.909 1.00 0.00 C ATOM 255 CG ASN A 19 -16.076 -6.040 -15.001 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.531 -7.151 -15.273 1.00 0.00 O ATOM 257 ND2 ASN A 19 -16.849 -4.984 -14.775 1.00 0.00 N ATOM 0 H ASN A 19 -14.927 -5.575 -12.479 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.213 -7.768 -14.097 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.388 -4.776 -14.630 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.130 -5.966 -15.890 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.864 -5.075 -14.824 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.428 -4.082 -14.553 1.00 0.00 H new ATOM 264 N ALA A 20 -11.806 -5.659 -13.360 1.00 0.00 N ATOM 265 CA ALA A 20 -10.362 -5.461 -13.400 1.00 0.00 C ATOM 266 C ALA A 20 -9.631 -6.616 -12.724 1.00 0.00 C ATOM 267 O ALA A 20 -9.908 -6.972 -11.578 1.00 0.00 O ATOM 268 CB ALA A 20 -9.992 -4.141 -12.741 1.00 0.00 C ATOM 0 H ALA A 20 -12.309 -4.982 -12.785 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.053 -5.432 -14.445 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.911 -4.006 -12.778 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.478 -3.321 -13.270 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.321 -4.148 -11.702 1.00 0.00 H new ATOM 274 N PRO A 21 -8.675 -7.217 -13.447 1.00 0.00 N ATOM 275 CA PRO A 21 -7.884 -8.341 -12.937 1.00 0.00 C ATOM 276 C PRO A 21 -6.920 -7.917 -11.833 1.00 0.00 C ATOM 277 O PRO A 21 -6.346 -6.829 -11.880 1.00 0.00 O ATOM 278 CB PRO A 21 -7.110 -8.818 -14.168 1.00 0.00 C ATOM 279 CG PRO A 21 -7.024 -7.621 -15.049 1.00 0.00 C ATOM 280 CD PRO A 21 -8.291 -6.845 -14.820 1.00 0.00 C ATOM 0 HA PRO A 21 -8.512 -9.110 -12.487 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.119 -9.181 -13.896 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.625 -9.640 -14.666 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.149 -7.019 -14.805 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.929 -7.913 -16.095 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.128 -5.772 -14.915 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.063 -7.115 -15.540 1.00 0.00 H new ATOM 288 N VAL A 22 -6.747 -8.784 -10.841 1.00 0.00 N ATOM 289 CA VAL A 22 -5.851 -8.501 -9.726 1.00 0.00 C ATOM 290 C VAL A 22 -4.392 -8.628 -10.148 1.00 0.00 C ATOM 291 O VAL A 22 -3.932 -9.708 -10.519 1.00 0.00 O ATOM 292 CB VAL A 22 -6.115 -9.447 -8.539 1.00 0.00 C ATOM 293 CG1 VAL A 22 -5.892 -10.894 -8.950 1.00 0.00 C ATOM 294 CG2 VAL A 22 -5.232 -9.077 -7.357 1.00 0.00 C ATOM 0 H VAL A 22 -7.215 -9.688 -10.786 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.048 -7.475 -9.414 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.156 -9.338 -8.234 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.083 -11.548 -8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.571 -11.150 -9.764 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.862 -11.023 -9.283 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.432 -9.755 -6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.184 -9.156 -7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.447 -8.054 -7.049 1.00 0.00 H new ATOM 304 N THR A 23 -3.665 -7.516 -10.087 1.00 0.00 N ATOM 305 CA THR A 23 -2.257 -7.501 -10.463 1.00 0.00 C ATOM 306 C THR A 23 -1.418 -8.314 -9.484 1.00 0.00 C ATOM 307 O THR A 23 -0.649 -9.188 -9.886 1.00 0.00 O ATOM 308 CB THR A 23 -1.706 -6.064 -10.523 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.546 -5.252 -11.352 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.285 -6.051 -11.065 1.00 0.00 C ATOM 0 H THR A 23 -4.029 -6.614 -9.780 1.00 0.00 H new ATOM 0 HA THR A 23 -2.190 -7.949 -11.454 1.00 0.00 H new ATOM 0 HB THR A 23 -1.695 -5.660 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.190 -4.339 -11.384 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.082 -5.025 -11.098 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.357 -6.646 -10.416 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.275 -6.472 -12.070 1.00 0.00 H new ATOM 318 N LYS A 24 -1.571 -8.023 -8.197 1.00 0.00 N ATOM 319 CA LYS A 24 -0.829 -8.728 -7.159 1.00 0.00 C ATOM 320 C LYS A 24 -1.484 -8.534 -5.795 1.00 0.00 C ATOM 321 O LYS A 24 -1.926 -7.436 -5.459 1.00 0.00 O ATOM 322 CB LYS A 24 0.619 -8.236 -7.115 1.00 0.00 C ATOM 323 CG LYS A 24 1.580 -9.230 -6.486 1.00 0.00 C ATOM 324 CD LYS A 24 2.903 -8.576 -6.125 1.00 0.00 C ATOM 325 CE LYS A 24 3.724 -9.454 -5.194 1.00 0.00 C ATOM 326 NZ LYS A 24 4.135 -10.726 -5.851 1.00 0.00 N ATOM 0 H LYS A 24 -2.203 -7.303 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.838 -9.791 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.950 -8.016 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.659 -7.301 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.128 -9.657 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.757 -10.054 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.471 -8.377 -7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.716 -7.614 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.611 -8.910 -4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.143 -9.678 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.721 -11.282 -5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.289 -11.273 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.683 -10.512 -6.709 1.00 0.00 H new ATOM 340 N ALA A 25 -1.542 -9.607 -5.013 1.00 0.00 N ATOM 341 CA ALA A 25 -2.140 -9.554 -3.685 1.00 0.00 C ATOM 342 C ALA A 25 -1.305 -10.334 -2.675 1.00 0.00 C ATOM 343 O ALA A 25 -0.639 -11.307 -3.026 1.00 0.00 O ATOM 344 CB ALA A 25 -3.563 -10.091 -3.724 1.00 0.00 C ATOM 0 H ALA A 25 -1.182 -10.524 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.166 -8.512 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.997 -10.045 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.161 -9.488 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.552 -11.125 -4.068 1.00 0.00 H new ATOM 350 N GLY A 26 -1.346 -9.901 -1.419 1.00 0.00 N ATOM 351 CA GLY A 26 -0.588 -10.570 -0.378 1.00 0.00 C ATOM 352 C GLY A 26 -0.604 -9.808 0.932 1.00 0.00 C ATOM 353 O GLY A 26 -0.667 -8.579 0.942 1.00 0.00 O ATOM 0 H GLY A 26 -1.891 -9.098 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.997 -11.568 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.443 -10.697 -0.708 1.00 0.00 H new ATOM 357 N TRP A 27 -0.548 -10.538 2.040 1.00 0.00 N ATOM 358 CA TRP A 27 -0.558 -9.923 3.362 1.00 0.00 C ATOM 359 C TRP A 27 0.764 -9.218 3.644 1.00 0.00 C ATOM 360 O TRP A 27 1.804 -9.863 3.789 1.00 0.00 O ATOM 361 CB TRP A 27 -0.828 -10.978 4.436 1.00 0.00 C ATOM 362 CG TRP A 27 -2.264 -11.399 4.508 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.862 -12.399 3.795 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.284 -10.830 5.337 1.00 0.00 C ATOM 365 NE1 TRP A 27 -4.191 -12.486 4.131 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.475 -11.535 5.075 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.306 -9.795 6.275 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.673 -11.236 5.719 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.496 -9.499 6.913 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.666 -10.218 6.633 1.00 0.00 C ATOM 0 H TRP A 27 -0.495 -11.557 2.049 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.356 -9.181 3.384 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.210 -11.854 4.238 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.523 -10.585 5.406 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.363 -13.029 3.073 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.858 -13.151 3.741 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.409 -9.236 6.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.576 -11.788 5.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.525 -8.700 7.639 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.580 -9.963 7.149 1.00 0.00 H new ATOM 381 N LEU A 28 0.718 -7.893 3.722 1.00 0.00 N ATOM 382 CA LEU A 28 1.914 -7.100 3.988 1.00 0.00 C ATOM 383 C LEU A 28 1.786 -6.348 5.309 1.00 0.00 C ATOM 384 O LEU A 28 0.758 -6.425 5.982 1.00 0.00 O ATOM 385 CB LEU A 28 2.159 -6.113 2.846 1.00 0.00 C ATOM 386 CG LEU A 28 2.962 -6.645 1.659 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.904 -5.668 0.494 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.405 -6.908 2.066 1.00 0.00 C ATOM 0 H LEU A 28 -0.134 -7.345 3.605 1.00 0.00 H new ATOM 0 HA LEU A 28 2.763 -7.780 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.193 -5.766 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.678 -5.243 3.249 1.00 0.00 H new ATOM 0 HG LEU A 28 2.519 -7.588 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.481 -6.064 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.868 -5.530 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.322 -4.709 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.962 -7.286 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.860 -5.980 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.428 -7.646 2.868 1.00 0.00 H new ATOM 400 N PHE A 29 2.835 -5.618 5.672 1.00 0.00 N ATOM 401 CA PHE A 29 2.840 -4.850 6.911 1.00 0.00 C ATOM 402 C PHE A 29 2.980 -3.357 6.626 1.00 0.00 C ATOM 403 O PHE A 29 3.946 -2.921 5.999 1.00 0.00 O ATOM 404 CB PHE A 29 3.979 -5.316 7.821 1.00 0.00 C ATOM 405 CG PHE A 29 3.750 -6.674 8.420 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.889 -7.817 7.650 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.397 -6.807 9.753 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.680 -9.069 8.198 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.187 -8.056 10.306 1.00 0.00 C ATOM 410 CZ PHE A 29 3.327 -9.188 9.528 1.00 0.00 C ATOM 0 H PHE A 29 3.693 -5.542 5.125 1.00 0.00 H new ATOM 0 HA PHE A 29 1.889 -5.018 7.416 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.907 -5.332 7.249 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.112 -4.591 8.624 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.164 -7.729 6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.285 -5.925 10.367 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.793 -9.952 7.587 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.913 -8.147 11.347 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.161 -10.164 9.959 1.00 0.00 H new ATOM 420 N LYS A 30 2.008 -2.579 7.089 1.00 0.00 N ATOM 421 CA LYS A 30 2.021 -1.135 6.886 1.00 0.00 C ATOM 422 C LYS A 30 2.417 -0.408 8.167 1.00 0.00 C ATOM 423 O LYS A 30 1.721 -0.493 9.179 1.00 0.00 O ATOM 424 CB LYS A 30 0.647 -0.653 6.417 1.00 0.00 C ATOM 425 CG LYS A 30 0.682 0.691 5.711 1.00 0.00 C ATOM 426 CD LYS A 30 -0.712 1.149 5.314 1.00 0.00 C ATOM 427 CE LYS A 30 -0.802 2.666 5.249 1.00 0.00 C ATOM 428 NZ LYS A 30 -0.863 3.277 6.605 1.00 0.00 N ATOM 0 H LYS A 30 1.201 -2.924 7.608 1.00 0.00 H new ATOM 0 HA LYS A 30 2.760 -0.908 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.221 -1.397 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.018 -0.584 7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.138 1.435 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.309 0.620 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.973 0.726 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.439 0.771 6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.062 3.058 4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.687 2.953 4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.110 4.284 6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.585 2.790 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.063 3.185 7.069 1.00 0.00 H new ATOM 442 N GLN A 31 3.537 0.306 8.115 1.00 0.00 N ATOM 443 CA GLN A 31 4.023 1.048 9.273 1.00 0.00 C ATOM 444 C GLN A 31 3.039 2.143 9.670 1.00 0.00 C ATOM 445 O GLN A 31 2.461 2.812 8.814 1.00 0.00 O ATOM 446 CB GLN A 31 5.392 1.660 8.974 1.00 0.00 C ATOM 447 CG GLN A 31 6.265 1.832 10.207 1.00 0.00 C ATOM 448 CD GLN A 31 7.369 2.851 10.004 1.00 0.00 C ATOM 449 OE1 GLN A 31 7.110 4.049 9.887 1.00 0.00 O ATOM 450 NE2 GLN A 31 8.609 2.379 9.961 1.00 0.00 N ATOM 0 H GLN A 31 4.124 0.386 7.285 1.00 0.00 H new ATOM 0 HA GLN A 31 4.118 0.351 10.106 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.914 1.028 8.255 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.251 2.632 8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.643 2.139 11.048 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.707 0.871 10.471 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.778 1.378 10.063 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.393 3.017 9.826 1.00 0.00 H new ATOM 459 N ALA A 32 2.853 2.320 10.974 1.00 0.00 N ATOM 460 CA ALA A 32 1.940 3.335 11.485 1.00 0.00 C ATOM 461 C ALA A 32 2.513 4.735 11.294 1.00 0.00 C ATOM 462 O ALA A 32 3.729 4.913 11.213 1.00 0.00 O ATOM 463 CB ALA A 32 1.638 3.081 12.955 1.00 0.00 C ATOM 0 H ALA A 32 3.323 1.773 11.696 1.00 0.00 H new ATOM 0 HA ALA A 32 1.011 3.271 10.919 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.955 3.846 13.324 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.178 2.099 13.068 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.565 3.115 13.528 1.00 0.00 H new ATOM 536 N GLN A 38 4.217 1.264 15.169 1.00 0.00 N ATOM 537 CA GLN A 38 4.045 -0.178 15.040 1.00 0.00 C ATOM 538 C GLN A 38 3.543 -0.545 13.648 1.00 0.00 C ATOM 539 O GLN A 38 2.824 0.227 13.014 1.00 0.00 O ATOM 540 CB GLN A 38 3.069 -0.693 16.099 1.00 0.00 C ATOM 541 CG GLN A 38 1.638 -0.225 15.886 1.00 0.00 C ATOM 542 CD GLN A 38 0.679 -0.794 16.914 1.00 0.00 C ATOM 543 OE1 GLN A 38 0.164 -0.069 17.766 1.00 0.00 O ATOM 544 NE2 GLN A 38 0.435 -2.097 16.839 1.00 0.00 N ATOM 0 HA GLN A 38 5.016 -0.649 15.191 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.090 -1.783 16.101 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.407 -0.366 17.082 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.606 0.864 15.928 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.309 -0.515 14.888 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.884 -2.659 16.116 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.202 -2.536 17.504 1.00 0.00 H new ATOM 553 N TRP A 39 3.928 -1.726 13.178 1.00 0.00 N ATOM 554 CA TRP A 39 3.516 -2.194 11.860 1.00 0.00 C ATOM 555 C TRP A 39 2.161 -2.890 11.927 1.00 0.00 C ATOM 556 O TRP A 39 1.972 -3.825 12.704 1.00 0.00 O ATOM 557 CB TRP A 39 4.565 -3.148 11.285 1.00 0.00 C ATOM 558 CG TRP A 39 5.907 -2.509 11.091 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.876 -2.334 12.037 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.426 -1.958 9.876 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.966 -1.707 11.484 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.716 -1.467 10.159 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.928 -1.833 8.576 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.510 -0.861 9.189 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.718 -1.231 7.615 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.998 -0.752 7.925 1.00 0.00 C ATOM 0 H TRP A 39 4.524 -2.376 13.690 1.00 0.00 H new ATOM 0 HA TRP A 39 3.425 -1.327 11.206 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.671 -4.004 11.951 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.211 -3.531 10.328 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.797 -2.643 13.069 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.823 -1.460 11.980 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.943 -2.200 8.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.496 -0.490 9.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.342 -1.128 6.608 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.592 -0.288 7.151 1.00 0.00 H new ATOM 577 N ASN A 40 1.222 -2.428 11.109 1.00 0.00 N ATOM 578 CA ASN A 40 -0.116 -3.006 11.077 1.00 0.00 C ATOM 579 C ASN A 40 -0.277 -3.939 9.880 1.00 0.00 C ATOM 580 O ASN A 40 -0.316 -3.495 8.733 1.00 0.00 O ATOM 581 CB ASN A 40 -1.172 -1.900 11.020 1.00 0.00 C ATOM 582 CG ASN A 40 -1.545 -1.386 12.398 1.00 0.00 C ATOM 583 OD1 ASN A 40 -2.707 -1.438 12.798 1.00 0.00 O ATOM 584 ND2 ASN A 40 -0.556 -0.885 13.130 1.00 0.00 N ATOM 0 H ASN A 40 1.363 -1.655 10.459 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.255 -3.586 11.990 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.797 -1.074 10.416 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.065 -2.279 10.522 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.746 -0.523 14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.393 -0.862 12.757 1.00 0.00 H new ATOM 591 N LYS A 41 -0.370 -5.236 10.156 1.00 0.00 N ATOM 592 CA LYS A 41 -0.529 -6.233 9.105 1.00 0.00 C ATOM 593 C LYS A 41 -1.944 -6.205 8.537 1.00 0.00 C ATOM 594 O LYS A 41 -2.922 -6.325 9.277 1.00 0.00 O ATOM 595 CB LYS A 41 -0.212 -7.629 9.645 1.00 0.00 C ATOM 596 CG LYS A 41 -0.395 -8.734 8.619 1.00 0.00 C ATOM 597 CD LYS A 41 -0.488 -10.099 9.281 1.00 0.00 C ATOM 598 CE LYS A 41 -0.537 -11.216 8.250 1.00 0.00 C ATOM 599 NZ LYS A 41 0.820 -11.567 7.747 1.00 0.00 N ATOM 0 H LYS A 41 -0.338 -5.621 11.100 1.00 0.00 H new ATOM 0 HA LYS A 41 0.170 -5.993 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.817 -7.645 10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.853 -7.832 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.299 -8.547 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.441 -8.724 7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.370 -10.246 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.379 -10.141 9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.000 -12.098 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.166 -10.911 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.743 -12.332 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.252 -10.732 7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.414 -11.882 8.541 1.00 0.00 H new ATOM 613 N ARG A 42 -2.047 -6.047 7.222 1.00 0.00 N ATOM 614 CA ARG A 42 -3.343 -6.004 6.556 1.00 0.00 C ATOM 615 C ARG A 42 -3.268 -6.651 5.176 1.00 0.00 C ATOM 616 O ARG A 42 -2.181 -6.888 4.650 1.00 0.00 O ATOM 617 CB ARG A 42 -3.827 -4.559 6.428 1.00 0.00 C ATOM 618 CG ARG A 42 -4.156 -3.906 7.760 1.00 0.00 C ATOM 619 CD ARG A 42 -5.604 -4.151 8.158 1.00 0.00 C ATOM 620 NE ARG A 42 -5.796 -4.068 9.603 1.00 0.00 N ATOM 621 CZ ARG A 42 -5.822 -2.922 10.276 1.00 0.00 C ATOM 622 NH1 ARG A 42 -5.669 -1.771 9.637 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.001 -2.928 11.591 1.00 0.00 N ATOM 0 H ARG A 42 -1.248 -5.947 6.596 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.053 -6.565 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.059 -3.971 5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.713 -4.537 5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.494 -4.298 8.532 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.971 -2.834 7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.244 -3.420 7.665 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.915 -5.135 7.807 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.917 -4.936 10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.531 -1.763 8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.689 -0.893 10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.119 -3.812 12.086 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.021 -2.048 12.107 1.00 0.00 H new ATOM 637 N TRP A 43 -4.429 -6.934 4.597 1.00 0.00 N ATOM 638 CA TRP A 43 -4.494 -7.555 3.279 1.00 0.00 C ATOM 639 C TRP A 43 -4.336 -6.511 2.178 1.00 0.00 C ATOM 640 O TRP A 43 -5.168 -5.615 2.035 1.00 0.00 O ATOM 641 CB TRP A 43 -5.820 -8.298 3.107 1.00 0.00 C ATOM 642 CG TRP A 43 -5.959 -8.964 1.772 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.929 -8.734 0.838 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.101 -9.969 1.222 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.726 -9.536 -0.258 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.610 -10.303 -0.048 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.951 -10.619 1.678 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -5.009 -11.257 -0.864 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.355 -11.566 0.867 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.884 -11.878 -0.393 1.00 0.00 C ATOM 0 H TRP A 43 -5.338 -6.744 5.019 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.673 -8.268 3.200 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.911 -9.050 3.891 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.642 -7.595 3.242 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.737 -8.025 0.946 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.311 -9.557 -1.093 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.535 -10.385 2.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.416 -11.499 -1.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.466 -12.075 1.210 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.395 -12.622 -1.004 1.00 0.00 H new ATOM 661 N PHE A 44 -3.264 -6.634 1.402 1.00 0.00 N ATOM 662 CA PHE A 44 -2.997 -5.700 0.314 1.00 0.00 C ATOM 663 C PHE A 44 -3.393 -6.304 -1.030 1.00 0.00 C ATOM 664 O PHE A 44 -3.154 -7.484 -1.288 1.00 0.00 O ATOM 665 CB PHE A 44 -1.517 -5.314 0.297 1.00 0.00 C ATOM 666 CG PHE A 44 -1.176 -4.203 1.249 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.739 -4.161 2.514 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.293 -3.202 0.878 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.427 -3.139 3.392 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.023 -2.178 1.752 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.544 -2.147 3.010 1.00 0.00 C ATOM 0 H PHE A 44 -2.566 -7.371 1.506 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.596 -4.805 0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.918 -6.191 0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.240 -5.014 -0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.429 -4.934 2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.154 -3.222 -0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.873 -3.116 4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.713 -1.403 1.451 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.298 -1.349 3.695 1.00 0.00 H new ATOM 681 N VAL A 45 -3.999 -5.486 -1.884 1.00 0.00 N ATOM 682 CA VAL A 45 -4.428 -5.938 -3.202 1.00 0.00 C ATOM 683 C VAL A 45 -4.165 -4.873 -4.261 1.00 0.00 C ATOM 684 O VAL A 45 -4.543 -3.712 -4.096 1.00 0.00 O ATOM 685 CB VAL A 45 -5.925 -6.298 -3.213 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.370 -6.693 -4.613 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.212 -7.414 -2.219 1.00 0.00 C ATOM 0 H VAL A 45 -4.204 -4.506 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.846 -6.830 -3.435 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.494 -5.418 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.431 -6.944 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.202 -5.861 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.797 -7.558 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.275 -7.656 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.634 -8.298 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.934 -7.089 -1.217 1.00 0.00 H new ATOM 697 N LEU A 46 -3.517 -5.275 -5.348 1.00 0.00 N ATOM 698 CA LEU A 46 -3.204 -4.354 -6.436 1.00 0.00 C ATOM 699 C LEU A 46 -4.133 -4.579 -7.625 1.00 0.00 C ATOM 700 O LEU A 46 -4.101 -5.634 -8.260 1.00 0.00 O ATOM 701 CB LEU A 46 -1.748 -4.527 -6.873 1.00 0.00 C ATOM 702 CG LEU A 46 -1.190 -3.440 -7.793 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.930 -2.161 -7.012 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.084 -3.920 -8.474 1.00 0.00 C ATOM 0 H LEU A 46 -3.198 -6.232 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.350 -3.337 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.125 -4.574 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.653 -5.488 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.932 -3.227 -8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.533 -1.399 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.863 -1.807 -6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.208 -2.359 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.467 -3.134 -9.125 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.831 -4.162 -7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.133 -4.808 -9.067 1.00 0.00 H new ATOM 716 N VAL A 47 -4.958 -3.581 -7.921 1.00 0.00 N ATOM 717 CA VAL A 47 -5.895 -3.668 -9.036 1.00 0.00 C ATOM 718 C VAL A 47 -6.045 -2.321 -9.734 1.00 0.00 C ATOM 719 O VAL A 47 -6.233 -1.292 -9.085 1.00 0.00 O ATOM 720 CB VAL A 47 -7.281 -4.149 -8.568 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.355 -3.729 -9.559 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.284 -5.658 -8.374 1.00 0.00 C ATOM 0 H VAL A 47 -4.997 -2.702 -7.405 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.485 -4.394 -9.738 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.503 -3.682 -7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.327 -4.078 -9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.368 -2.642 -9.643 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.141 -4.165 -10.535 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.271 -5.980 -8.043 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.040 -6.147 -9.317 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.543 -5.930 -7.622 1.00 0.00 H new ATOM 732 N ASP A 48 -5.961 -2.336 -11.060 1.00 0.00 N ATOM 733 CA ASP A 48 -6.089 -1.116 -11.847 1.00 0.00 C ATOM 734 C ASP A 48 -4.996 -0.116 -11.483 1.00 0.00 C ATOM 735 O ASP A 48 -5.279 1.035 -11.150 1.00 0.00 O ATOM 736 CB ASP A 48 -7.466 -0.486 -11.631 1.00 0.00 C ATOM 737 CG ASP A 48 -7.931 0.315 -12.831 1.00 0.00 C ATOM 738 OD1 ASP A 48 -8.178 -0.296 -13.892 1.00 0.00 O ATOM 739 OD2 ASP A 48 -8.048 1.553 -12.710 1.00 0.00 O ATOM 0 H ASP A 48 -5.805 -3.180 -11.612 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.979 -1.379 -12.899 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.192 -1.271 -11.418 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.432 0.163 -10.756 1.00 0.00 H new ATOM 744 N ARG A 49 -3.746 -0.564 -11.547 1.00 0.00 N ATOM 745 CA ARG A 49 -2.611 0.291 -11.222 1.00 0.00 C ATOM 746 C ARG A 49 -2.872 1.078 -9.941 1.00 0.00 C ATOM 747 O ARG A 49 -2.489 2.243 -9.828 1.00 0.00 O ATOM 748 CB ARG A 49 -2.322 1.253 -12.375 1.00 0.00 C ATOM 749 CG ARG A 49 -1.725 0.577 -13.598 1.00 0.00 C ATOM 750 CD ARG A 49 -1.685 1.518 -14.792 1.00 0.00 C ATOM 751 NE ARG A 49 -3.023 1.937 -15.203 1.00 0.00 N ATOM 752 CZ ARG A 49 -3.289 2.492 -16.379 1.00 0.00 C ATOM 753 NH1 ARG A 49 -2.316 2.694 -17.257 1.00 0.00 N ATOM 754 NH2 ARG A 49 -4.532 2.847 -16.681 1.00 0.00 N ATOM 0 H ARG A 49 -3.494 -1.514 -11.821 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.741 -0.347 -11.065 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.248 1.751 -12.662 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.638 2.027 -12.028 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.716 0.235 -13.369 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.312 -0.306 -13.849 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.091 2.397 -14.541 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.187 1.024 -15.627 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.794 1.795 -14.551 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.359 2.423 -17.030 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.524 3.121 -18.160 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.284 2.693 -16.009 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.735 3.273 -17.585 1.00 0.00 H new ATOM 768 N CYS A 50 -3.528 0.435 -8.981 1.00 0.00 N ATOM 769 CA CYS A 50 -3.842 1.076 -7.709 1.00 0.00 C ATOM 770 C CYS A 50 -3.718 0.085 -6.556 1.00 0.00 C ATOM 771 O CYS A 50 -3.937 -1.115 -6.728 1.00 0.00 O ATOM 772 CB CYS A 50 -5.254 1.662 -7.744 1.00 0.00 C ATOM 773 SG CYS A 50 -5.434 3.091 -8.837 1.00 0.00 S ATOM 0 H CYS A 50 -3.852 -0.529 -9.059 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.126 1.882 -7.550 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.950 0.886 -8.061 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.540 1.953 -6.733 1.00 0.00 H new ATOM 0 HG CYS A 50 -5.444 2.692 -10.074 1.00 0.00 H new ATOM 779 N LEU A 51 -3.365 0.594 -5.381 1.00 0.00 N ATOM 780 CA LEU A 51 -3.210 -0.246 -4.199 1.00 0.00 C ATOM 781 C LEU A 51 -4.457 -0.189 -3.322 1.00 0.00 C ATOM 782 O LEU A 51 -4.980 0.889 -3.039 1.00 0.00 O ATOM 783 CB LEU A 51 -1.986 0.193 -3.393 1.00 0.00 C ATOM 784 CG LEU A 51 -1.300 -0.895 -2.567 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.166 -0.554 -2.347 1.00 0.00 C ATOM 786 CD2 LEU A 51 -2.012 -1.083 -1.236 1.00 0.00 C ATOM 0 H LEU A 51 -3.181 1.584 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.069 -1.274 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.254 0.613 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.288 0.996 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.354 -1.833 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.638 -1.340 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.669 -0.472 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.243 0.394 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.510 -1.861 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.990 -0.148 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.047 -1.375 -1.415 1.00 0.00 H new ATOM 798 N PHE A 52 -4.927 -1.355 -2.894 1.00 0.00 N ATOM 799 CA PHE A 52 -6.112 -1.438 -2.048 1.00 0.00 C ATOM 800 C PHE A 52 -5.857 -2.333 -0.839 1.00 0.00 C ATOM 801 O PHE A 52 -5.557 -3.518 -0.983 1.00 0.00 O ATOM 802 CB PHE A 52 -7.301 -1.972 -2.850 1.00 0.00 C ATOM 803 CG PHE A 52 -7.622 -1.150 -4.065 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.879 0.207 -3.952 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.668 -1.734 -5.321 1.00 0.00 C ATOM 806 CE1 PHE A 52 -8.175 0.966 -5.068 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.963 -0.980 -6.441 1.00 0.00 C ATOM 808 CZ PHE A 52 -8.218 0.372 -6.314 1.00 0.00 C ATOM 0 H PHE A 52 -4.506 -2.256 -3.119 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.344 -0.434 -1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.090 -2.996 -3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.178 -2.008 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.848 0.677 -2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.471 -2.791 -5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.373 2.023 -4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.994 -1.447 -7.414 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.450 0.963 -7.187 1.00 0.00 H new ATOM 818 N TYR A 53 -5.977 -1.757 0.352 1.00 0.00 N ATOM 819 CA TYR A 53 -5.756 -2.500 1.586 1.00 0.00 C ATOM 820 C TYR A 53 -7.068 -2.716 2.334 1.00 0.00 C ATOM 821 O TYR A 53 -7.706 -1.762 2.780 1.00 0.00 O ATOM 822 CB TYR A 53 -4.761 -1.759 2.481 1.00 0.00 C ATOM 823 CG TYR A 53 -5.334 -0.514 3.121 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.256 0.717 2.483 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.953 -0.570 4.364 1.00 0.00 C ATOM 826 CE1 TYR A 53 -5.777 1.857 3.064 1.00 0.00 C ATOM 827 CE2 TYR A 53 -6.477 0.564 4.952 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.386 1.775 4.299 1.00 0.00 C ATOM 829 OH TYR A 53 -6.908 2.908 4.880 1.00 0.00 O ATOM 0 H TYR A 53 -6.226 -0.777 0.489 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.343 -3.474 1.325 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.416 -2.434 3.264 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.887 -1.484 1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.780 0.784 1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.025 -1.517 4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.708 2.807 2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.956 0.503 5.918 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.303 2.679 5.747 1.00 0.00 H new ATOM 839 N TYR A 54 -7.464 -3.977 2.469 1.00 0.00 N ATOM 840 CA TYR A 54 -8.701 -4.320 3.161 1.00 0.00 C ATOM 841 C TYR A 54 -8.410 -4.874 4.552 1.00 0.00 C ATOM 842 O TYR A 54 -7.264 -5.175 4.888 1.00 0.00 O ATOM 843 CB TYR A 54 -9.498 -5.342 2.349 1.00 0.00 C ATOM 844 CG TYR A 54 -9.862 -4.863 0.962 1.00 0.00 C ATOM 845 CD1 TYR A 54 -11.039 -4.160 0.736 1.00 0.00 C ATOM 846 CD2 TYR A 54 -9.029 -5.112 -0.122 1.00 0.00 C ATOM 847 CE1 TYR A 54 -11.376 -3.720 -0.530 1.00 0.00 C ATOM 848 CE2 TYR A 54 -9.358 -4.675 -1.390 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.532 -3.980 -1.589 1.00 0.00 C ATOM 850 OH TYR A 54 -10.864 -3.543 -2.851 1.00 0.00 O ATOM 0 H TYR A 54 -6.946 -4.778 2.108 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.292 -3.411 3.268 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.917 -6.260 2.266 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.411 -5.590 2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.702 -3.954 1.564 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.109 -5.656 0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.295 -3.176 -0.689 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.699 -4.877 -2.222 1.00 0.00 H new ATOM 0 HH TYR A 54 -10.163 -3.807 -3.483 1.00 0.00 H new ATOM 860 N LYS A 55 -9.457 -5.006 5.360 1.00 0.00 N ATOM 861 CA LYS A 55 -9.318 -5.526 6.715 1.00 0.00 C ATOM 862 C LYS A 55 -8.870 -6.984 6.696 1.00 0.00 C ATOM 863 O LYS A 55 -8.107 -7.420 7.557 1.00 0.00 O ATOM 864 CB LYS A 55 -10.643 -5.398 7.471 1.00 0.00 C ATOM 865 CG LYS A 55 -11.796 -6.127 6.804 1.00 0.00 C ATOM 866 CD LYS A 55 -13.133 -5.500 7.160 1.00 0.00 C ATOM 867 CE LYS A 55 -14.282 -6.472 6.938 1.00 0.00 C ATOM 868 NZ LYS A 55 -15.441 -6.173 7.824 1.00 0.00 N ATOM 0 H LYS A 55 -10.412 -4.760 5.099 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.556 -4.937 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.514 -5.786 8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.897 -4.342 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.662 -6.110 5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.791 -7.173 7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.121 -5.182 8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.289 -4.606 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.600 -6.426 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.937 -7.490 7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.203 -6.857 7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.144 -6.241 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.786 -5.211 7.631 1.00 0.00 H new ATOM 882 N ASP A 56 -9.349 -7.732 5.708 1.00 0.00 N ATOM 883 CA ASP A 56 -8.996 -9.140 5.575 1.00 0.00 C ATOM 884 C ASP A 56 -9.180 -9.614 4.136 1.00 0.00 C ATOM 885 O ASP A 56 -9.541 -8.831 3.258 1.00 0.00 O ATOM 886 CB ASP A 56 -9.847 -9.993 6.518 1.00 0.00 C ATOM 887 CG ASP A 56 -9.144 -11.269 6.937 1.00 0.00 C ATOM 888 OD1 ASP A 56 -9.204 -12.257 6.176 1.00 0.00 O ATOM 889 OD2 ASP A 56 -8.534 -11.279 8.027 1.00 0.00 O ATOM 0 H ASP A 56 -9.983 -7.386 4.988 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.946 -9.252 5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.096 -9.411 7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.787 -10.244 6.027 1.00 0.00 H new ATOM 894 N GLU A 57 -8.928 -10.898 3.904 1.00 0.00 N ATOM 895 CA GLU A 57 -9.064 -11.474 2.572 1.00 0.00 C ATOM 896 C GLU A 57 -10.514 -11.418 2.100 1.00 0.00 C ATOM 897 O GLU A 57 -10.815 -11.710 0.943 1.00 0.00 O ATOM 898 CB GLU A 57 -8.569 -12.922 2.564 1.00 0.00 C ATOM 899 CG GLU A 57 -9.410 -13.857 3.417 1.00 0.00 C ATOM 900 CD GLU A 57 -9.318 -15.301 2.965 1.00 0.00 C ATOM 901 OE1 GLU A 57 -8.947 -15.533 1.795 1.00 0.00 O ATOM 902 OE2 GLU A 57 -9.616 -16.199 3.780 1.00 0.00 O ATOM 0 H GLU A 57 -8.629 -11.559 4.621 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.454 -10.886 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.561 -13.289 1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.539 -12.947 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.087 -13.784 4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.451 -13.535 3.384 1.00 0.00 H new ATOM 909 N LYS A 58 -11.410 -11.041 3.006 1.00 0.00 N ATOM 910 CA LYS A 58 -12.830 -10.945 2.686 1.00 0.00 C ATOM 911 C LYS A 58 -13.076 -9.885 1.617 1.00 0.00 C ATOM 912 O LYS A 58 -13.827 -10.110 0.669 1.00 0.00 O ATOM 913 CB LYS A 58 -13.636 -10.614 3.943 1.00 0.00 C ATOM 914 CG LYS A 58 -13.468 -11.631 5.059 1.00 0.00 C ATOM 915 CD LYS A 58 -14.328 -11.284 6.263 1.00 0.00 C ATOM 916 CE LYS A 58 -14.065 -12.229 7.426 1.00 0.00 C ATOM 917 NZ LYS A 58 -15.102 -12.104 8.488 1.00 0.00 N ATOM 0 H LYS A 58 -11.178 -10.797 3.969 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.155 -11.910 2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.335 -9.632 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.692 -10.547 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.736 -12.622 4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.421 -11.674 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.126 -10.259 6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.381 -11.331 5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.041 -13.256 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.083 -12.018 7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.887 -12.764 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.108 -11.131 8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.036 -12.330 8.090 1.00 0.00 H new ATOM 931 N GLU A 59 -12.437 -8.731 1.777 1.00 0.00 N ATOM 932 CA GLU A 59 -12.587 -7.637 0.824 1.00 0.00 C ATOM 933 C GLU A 59 -14.028 -7.137 0.792 1.00 0.00 C ATOM 934 O GLU A 59 -14.602 -6.935 -0.277 1.00 0.00 O ATOM 935 CB GLU A 59 -12.161 -8.087 -0.575 1.00 0.00 C ATOM 936 CG GLU A 59 -10.703 -8.507 -0.661 1.00 0.00 C ATOM 937 CD GLU A 59 -10.417 -9.374 -1.872 1.00 0.00 C ATOM 938 OE1 GLU A 59 -11.219 -10.290 -2.148 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.391 -9.137 -2.543 1.00 0.00 O ATOM 0 H GLU A 59 -11.811 -8.529 2.557 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.943 -6.818 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.790 -8.921 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.338 -7.274 -1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.074 -7.618 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.431 -9.051 0.243 1.00 0.00 H new ATOM 946 N GLU A 60 -14.607 -6.941 1.973 1.00 0.00 N ATOM 947 CA GLU A 60 -15.981 -6.467 2.081 1.00 0.00 C ATOM 948 C GLU A 60 -16.090 -5.010 1.641 1.00 0.00 C ATOM 949 O GLU A 60 -16.982 -4.646 0.875 1.00 0.00 O ATOM 950 CB GLU A 60 -16.485 -6.617 3.518 1.00 0.00 C ATOM 951 CG GLU A 60 -17.031 -8.000 3.830 1.00 0.00 C ATOM 952 CD GLU A 60 -18.412 -8.228 3.246 1.00 0.00 C ATOM 953 OE1 GLU A 60 -19.360 -7.542 3.681 1.00 0.00 O ATOM 954 OE2 GLU A 60 -18.544 -9.093 2.355 1.00 0.00 O ATOM 0 H GLU A 60 -14.145 -7.103 2.868 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.601 -7.075 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.669 -6.394 4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.265 -5.878 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.347 -8.753 3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.071 -8.135 4.911 1.00 0.00 H new ATOM 961 N SER A 61 -15.175 -4.180 2.133 1.00 0.00 N ATOM 962 CA SER A 61 -15.170 -2.761 1.795 1.00 0.00 C ATOM 963 C SER A 61 -13.755 -2.194 1.857 1.00 0.00 C ATOM 964 O SER A 61 -12.967 -2.556 2.731 1.00 0.00 O ATOM 965 CB SER A 61 -16.085 -1.986 2.744 1.00 0.00 C ATOM 966 OG SER A 61 -16.467 -0.743 2.182 1.00 0.00 O ATOM 0 H SER A 61 -14.428 -4.465 2.766 1.00 0.00 H new ATOM 0 HA SER A 61 -15.542 -2.653 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.974 -2.578 2.962 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.573 -1.818 3.692 1.00 0.00 H new ATOM 0 HG SER A 61 -17.053 -0.268 2.807 1.00 0.00 H new ATOM 972 N ILE A 62 -13.441 -1.302 0.924 1.00 0.00 N ATOM 973 CA ILE A 62 -12.122 -0.683 0.872 1.00 0.00 C ATOM 974 C ILE A 62 -11.929 0.296 2.026 1.00 0.00 C ATOM 975 O ILE A 62 -12.650 1.288 2.140 1.00 0.00 O ATOM 976 CB ILE A 62 -11.900 0.060 -0.459 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.987 -0.917 -1.633 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.554 0.769 -0.451 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.916 -0.244 -2.986 1.00 0.00 C ATOM 0 H ILE A 62 -14.082 -0.992 0.194 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.392 -1.488 0.955 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.683 0.810 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.176 -1.641 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.921 -1.475 -1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.411 1.290 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.527 1.489 0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.758 0.037 -0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.984 -0.997 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.742 0.460 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.971 0.291 -3.077 1.00 0.00 H new ATOM 991 N LEU A 63 -10.951 0.012 2.878 1.00 0.00 N ATOM 992 CA LEU A 63 -10.661 0.868 4.023 1.00 0.00 C ATOM 993 C LEU A 63 -9.930 2.133 3.585 1.00 0.00 C ATOM 994 O LEU A 63 -10.102 3.198 4.177 1.00 0.00 O ATOM 995 CB LEU A 63 -9.820 0.110 5.052 1.00 0.00 C ATOM 996 CG LEU A 63 -10.397 -1.218 5.543 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.538 -1.795 6.657 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.832 -1.034 6.015 1.00 0.00 C ATOM 0 H LEU A 63 -10.345 -0.805 2.798 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.608 1.157 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.838 -0.081 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.667 0.758 5.915 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.396 -1.922 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.965 -2.740 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.527 -1.965 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.505 -1.094 7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.227 -1.989 6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.857 -0.314 6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.442 -0.667 5.190 1.00 0.00 H new ATOM 1010 N GLY A 64 -9.114 2.009 2.543 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.371 3.150 2.042 1.00 0.00 C ATOM 1012 C GLY A 64 -7.605 2.832 0.774 1.00 0.00 C ATOM 1013 O GLY A 64 -6.894 1.829 0.705 1.00 0.00 O ATOM 0 H GLY A 64 -8.954 1.138 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.060 3.972 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.674 3.491 2.808 1.00 0.00 H new ATOM 1017 N SER A 65 -7.749 3.687 -0.234 1.00 0.00 N ATOM 1018 CA SER A 65 -7.068 3.488 -1.508 1.00 0.00 C ATOM 1019 C SER A 65 -5.959 4.518 -1.698 1.00 0.00 C ATOM 1020 O SER A 65 -6.146 5.704 -1.425 1.00 0.00 O ATOM 1021 CB SER A 65 -8.067 3.579 -2.664 1.00 0.00 C ATOM 1022 OG SER A 65 -9.214 2.786 -2.410 1.00 0.00 O ATOM 0 H SER A 65 -8.331 4.524 -0.193 1.00 0.00 H new ATOM 0 HA SER A 65 -6.620 2.494 -1.501 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.364 4.617 -2.811 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.591 3.250 -3.587 1.00 0.00 H new ATOM 0 HG SER A 65 -9.178 1.974 -2.957 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.805 4.056 -2.167 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.666 4.936 -2.395 1.00 0.00 C ATOM 1030 C ILE A 66 -3.111 4.764 -3.805 1.00 0.00 C ATOM 1031 O ILE A 66 -2.611 3.703 -4.176 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.540 4.675 -1.377 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -3.042 4.927 0.047 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.335 5.552 -1.683 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.285 4.149 1.101 1.00 0.00 C ATOM 0 H ILE A 66 -4.634 3.077 -2.397 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.027 5.957 -2.272 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.234 3.632 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.965 5.992 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.099 4.665 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.548 5.356 -0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.967 5.328 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.626 6.601 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.694 4.377 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.383 3.081 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.232 4.428 1.073 1.00 0.00 H new ATOM 1047 N PRO A 67 -3.199 5.834 -4.610 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.709 5.827 -5.991 1.00 0.00 C ATOM 1049 C PRO A 67 -1.187 5.773 -6.066 1.00 0.00 C ATOM 1050 O PRO A 67 -0.498 6.648 -5.538 1.00 0.00 O ATOM 1051 CB PRO A 67 -3.226 7.151 -6.558 1.00 0.00 C ATOM 1052 CG PRO A 67 -3.388 8.034 -5.369 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.784 7.132 -4.233 1.00 0.00 C ATOM 0 HA PRO A 67 -3.051 4.950 -6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.523 7.576 -7.274 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.172 7.015 -7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.460 8.560 -5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.149 8.793 -5.548 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.391 7.489 -3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.867 7.070 -4.128 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.667 4.743 -6.724 1.00 0.00 N ATOM 1062 CA LEU A 68 0.775 4.577 -6.869 1.00 0.00 C ATOM 1063 C LEU A 68 1.266 5.189 -8.176 1.00 0.00 C ATOM 1064 O LEU A 68 2.422 5.599 -8.287 1.00 0.00 O ATOM 1065 CB LEU A 68 1.144 3.093 -6.817 1.00 0.00 C ATOM 1066 CG LEU A 68 1.110 2.441 -5.434 1.00 0.00 C ATOM 1067 CD1 LEU A 68 1.292 0.935 -5.549 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.181 3.042 -4.535 1.00 0.00 C ATOM 0 H LEU A 68 -1.222 4.010 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 68 1.260 5.096 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.464 2.547 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.146 2.974 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 68 0.136 2.635 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.265 0.488 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.489 0.517 -6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.252 0.719 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.142 2.566 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.163 2.878 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.006 4.112 -4.426 1.00 0.00 H new ATOM 1080 N LEU A 69 0.380 5.250 -9.164 1.00 0.00 N ATOM 1081 CA LEU A 69 0.722 5.815 -10.465 1.00 0.00 C ATOM 1082 C LEU A 69 1.431 7.156 -10.307 1.00 0.00 C ATOM 1083 O LEU A 69 2.102 7.627 -11.225 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.538 5.988 -11.315 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.474 7.065 -12.399 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.544 6.690 -13.465 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.846 7.278 -13.021 1.00 0.00 C ATOM 0 H LEU A 69 -0.581 4.915 -9.089 1.00 0.00 H new ATOM 0 HA LEU A 69 1.399 5.124 -10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.764 5.034 -11.792 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.371 6.218 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.158 8.000 -11.937 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.576 7.468 -14.228 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.529 6.589 -13.008 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.258 5.743 -13.924 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.781 8.048 -13.790 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.191 6.346 -13.468 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.550 7.593 -12.251 1.00 0.00 H new ATOM 1099 N SER A 70 1.278 7.765 -9.135 1.00 0.00 N ATOM 1100 CA SER A 70 1.903 9.054 -8.857 1.00 0.00 C ATOM 1101 C SER A 70 2.834 8.957 -7.653 1.00 0.00 C ATOM 1102 O SER A 70 2.875 9.854 -6.811 1.00 0.00 O ATOM 1103 CB SER A 70 0.833 10.118 -8.604 1.00 0.00 C ATOM 1104 OG SER A 70 -0.220 9.604 -7.808 1.00 0.00 O ATOM 0 H SER A 70 0.728 7.387 -8.364 1.00 0.00 H new ATOM 0 HA SER A 70 2.492 9.341 -9.728 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.282 10.978 -8.107 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.435 10.471 -9.555 1.00 0.00 H new ATOM 0 HG SER A 70 -0.890 10.304 -7.660 1.00 0.00 H new ATOM 1110 N PHE A 71 3.582 7.861 -7.578 1.00 0.00 N ATOM 1111 CA PHE A 71 4.514 7.645 -6.477 1.00 0.00 C ATOM 1112 C PHE A 71 5.761 6.908 -6.957 1.00 0.00 C ATOM 1113 O PHE A 71 5.859 6.526 -8.123 1.00 0.00 O ATOM 1114 CB PHE A 71 3.838 6.851 -5.358 1.00 0.00 C ATOM 1115 CG PHE A 71 3.025 7.703 -4.425 1.00 0.00 C ATOM 1116 CD1 PHE A 71 1.837 8.278 -4.849 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.448 7.928 -3.125 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.088 9.063 -3.993 1.00 0.00 C ATOM 1119 CE2 PHE A 71 2.702 8.712 -2.265 1.00 0.00 C ATOM 1120 CZ PHE A 71 1.520 9.279 -2.699 1.00 0.00 C ATOM 0 H PHE A 71 3.561 7.109 -8.266 1.00 0.00 H new ATOM 0 HA PHE A 71 4.815 8.619 -6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.192 6.093 -5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.601 6.325 -4.785 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.493 8.111 -5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.371 7.486 -2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.165 9.507 -4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.043 8.881 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.935 9.890 -2.028 1.00 0.00 H new ATOM 1130 N ARG A 72 6.712 6.714 -6.049 1.00 0.00 N ATOM 1131 CA ARG A 72 7.954 6.025 -6.378 1.00 0.00 C ATOM 1132 C ARG A 72 8.297 4.985 -5.316 1.00 0.00 C ATOM 1133 O ARG A 72 8.666 5.328 -4.193 1.00 0.00 O ATOM 1134 CB ARG A 72 9.099 7.030 -6.513 1.00 0.00 C ATOM 1135 CG ARG A 72 9.274 7.570 -7.923 1.00 0.00 C ATOM 1136 CD ARG A 72 10.138 8.821 -7.937 1.00 0.00 C ATOM 1137 NE ARG A 72 9.429 9.982 -7.406 1.00 0.00 N ATOM 1138 CZ ARG A 72 10.008 11.157 -7.181 1.00 0.00 C ATOM 1139 NH1 ARG A 72 11.298 11.324 -7.439 1.00 0.00 N ATOM 1140 NH2 ARG A 72 9.296 12.166 -6.696 1.00 0.00 N ATOM 0 H ARG A 72 6.646 7.024 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 72 7.815 5.513 -7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.921 7.864 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.028 6.554 -6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.729 6.805 -8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.297 7.796 -8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.039 8.646 -7.349 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.459 9.028 -8.958 1.00 0.00 H new ATOM 0 HE ARG A 72 8.435 9.886 -7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.848 10.550 -7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.740 12.227 -7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.304 12.040 -6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.741 13.068 -6.523 1.00 0.00 H new ATOM 1154 N VAL A 73 8.173 3.712 -5.679 1.00 0.00 N ATOM 1155 CA VAL A 73 8.470 2.622 -4.758 1.00 0.00 C ATOM 1156 C VAL A 73 9.927 2.186 -4.875 1.00 0.00 C ATOM 1157 O VAL A 73 10.520 2.250 -5.951 1.00 0.00 O ATOM 1158 CB VAL A 73 7.560 1.406 -5.014 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.772 0.345 -3.945 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.101 1.836 -5.068 1.00 0.00 C ATOM 0 H VAL A 73 7.869 3.411 -6.605 1.00 0.00 H new ATOM 0 HA VAL A 73 8.285 2.999 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 73 7.824 0.973 -5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.120 -0.506 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.811 0.017 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.536 0.763 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.471 0.965 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.821 2.294 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.964 2.557 -5.874 1.00 0.00 H new ATOM 1170 N ALA A 74 10.497 1.742 -3.759 1.00 0.00 N ATOM 1171 CA ALA A 74 11.883 1.292 -3.737 1.00 0.00 C ATOM 1172 C ALA A 74 12.243 0.690 -2.383 1.00 0.00 C ATOM 1173 O ALA A 74 11.588 0.962 -1.378 1.00 0.00 O ATOM 1174 CB ALA A 74 12.818 2.447 -4.068 1.00 0.00 C ATOM 0 H ALA A 74 10.020 1.685 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 74 11.999 0.516 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.850 2.097 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.584 2.831 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.690 3.241 -3.332 1.00 0.00 H new ATOM 1180 N ALA A 75 13.288 -0.132 -2.365 1.00 0.00 N ATOM 1181 CA ALA A 75 13.735 -0.772 -1.134 1.00 0.00 C ATOM 1182 C ALA A 75 14.352 0.244 -0.180 1.00 0.00 C ATOM 1183 O ALA A 75 14.970 1.219 -0.609 1.00 0.00 O ATOM 1184 CB ALA A 75 14.732 -1.878 -1.447 1.00 0.00 C ATOM 0 H ALA A 75 13.840 -0.370 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 75 12.865 -1.209 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.058 -2.348 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.259 -2.625 -2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.595 -1.455 -1.962 1.00 0.00 H new ATOM 1190 N VAL A 76 14.181 0.011 1.118 1.00 0.00 N ATOM 1191 CA VAL A 76 14.721 0.906 2.134 1.00 0.00 C ATOM 1192 C VAL A 76 16.236 1.029 2.008 1.00 0.00 C ATOM 1193 O VAL A 76 16.852 0.384 1.160 1.00 0.00 O ATOM 1194 CB VAL A 76 14.373 0.419 3.553 1.00 0.00 C ATOM 1195 CG1 VAL A 76 13.026 0.973 3.992 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.379 -1.101 3.611 1.00 0.00 C ATOM 0 H VAL A 76 13.672 -0.791 1.490 1.00 0.00 H new ATOM 0 HA VAL A 76 14.265 1.882 1.971 1.00 0.00 H new ATOM 0 HB VAL A 76 15.133 0.788 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.797 0.618 4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.063 2.062 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.252 0.636 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.131 -1.428 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.642 -1.495 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.368 -1.471 3.343 1.00 0.00 H new ATOM 1206 N GLN A 77 16.829 1.862 2.857 1.00 0.00 N ATOM 1207 CA GLN A 77 18.272 2.070 2.840 1.00 0.00 C ATOM 1208 C GLN A 77 18.893 1.687 4.180 1.00 0.00 C ATOM 1209 O GLN A 77 18.216 1.607 5.205 1.00 0.00 O ATOM 1210 CB GLN A 77 18.594 3.529 2.513 1.00 0.00 C ATOM 1211 CG GLN A 77 18.724 3.804 1.024 1.00 0.00 C ATOM 1212 CD GLN A 77 19.391 5.134 0.732 1.00 0.00 C ATOM 1213 OE1 GLN A 77 20.603 5.283 0.897 1.00 0.00 O ATOM 1214 NE2 GLN A 77 18.603 6.109 0.296 1.00 0.00 N ATOM 0 H GLN A 77 16.333 2.403 3.565 1.00 0.00 H new ATOM 0 HA GLN A 77 18.697 1.430 2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.811 4.166 2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.525 3.807 3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.300 3.003 0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.734 3.791 0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.604 5.941 0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.996 7.026 0.083 1.00 0.00 H new ATOM 1223 N PRO A 78 20.212 1.445 4.173 1.00 0.00 N ATOM 1224 CA PRO A 78 20.953 1.066 5.380 1.00 0.00 C ATOM 1225 C PRO A 78 21.070 2.218 6.373 1.00 0.00 C ATOM 1226 O PRO A 78 21.416 2.014 7.537 1.00 0.00 O ATOM 1227 CB PRO A 78 22.333 0.681 4.843 1.00 0.00 C ATOM 1228 CG PRO A 78 22.467 1.437 3.566 1.00 0.00 C ATOM 1229 CD PRO A 78 21.082 1.522 2.988 1.00 0.00 C ATOM 0 HA PRO A 78 20.456 0.266 5.929 1.00 0.00 H new ATOM 0 HB2 PRO A 78 23.121 0.950 5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.407 -0.394 4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.878 2.431 3.742 1.00 0.00 H new ATOM 0 HG3 PRO A 78 23.145 0.929 2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.932 2.452 2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.886 0.706 2.292 1.00 0.00 H new ATOM 1237 N SER A 79 20.779 3.428 5.906 1.00 0.00 N ATOM 1238 CA SER A 79 20.855 4.612 6.753 1.00 0.00 C ATOM 1239 C SER A 79 19.473 5.002 7.268 1.00 0.00 C ATOM 1240 O SER A 79 19.297 6.063 7.867 1.00 0.00 O ATOM 1241 CB SER A 79 21.471 5.780 5.979 1.00 0.00 C ATOM 1242 OG SER A 79 20.519 6.381 5.120 1.00 0.00 O ATOM 0 H SER A 79 20.489 3.614 4.946 1.00 0.00 H new ATOM 0 HA SER A 79 21.489 4.376 7.608 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.854 6.523 6.679 1.00 0.00 H new ATOM 0 HB3 SER A 79 22.320 5.426 5.395 1.00 0.00 H new ATOM 0 HG SER A 79 20.937 7.125 4.638 1.00 0.00 H new ATOM 1248 N ASP A 80 18.494 4.136 7.029 1.00 0.00 N ATOM 1249 CA ASP A 80 17.126 4.387 7.469 1.00 0.00 C ATOM 1250 C ASP A 80 16.939 3.973 8.925 1.00 0.00 C ATOM 1251 O ASP A 80 17.838 3.400 9.538 1.00 0.00 O ATOM 1252 CB ASP A 80 16.136 3.635 6.579 1.00 0.00 C ATOM 1253 CG ASP A 80 15.775 4.411 5.328 1.00 0.00 C ATOM 1254 OD1 ASP A 80 16.672 5.068 4.759 1.00 0.00 O ATOM 1255 OD2 ASP A 80 14.596 4.362 4.918 1.00 0.00 O ATOM 0 H ASP A 80 18.622 3.254 6.533 1.00 0.00 H new ATOM 0 HA ASP A 80 16.934 5.457 7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 80 16.565 2.674 6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 80 15.229 3.425 7.146 1.00 0.00 H new ATOM 1260 N ASN A 81 15.764 4.268 9.472 1.00 0.00 N ATOM 1261 CA ASN A 81 15.459 3.928 10.857 1.00 0.00 C ATOM 1262 C ASN A 81 14.624 2.653 10.932 1.00 0.00 C ATOM 1263 O ASN A 81 13.930 2.411 11.920 1.00 0.00 O ATOM 1264 CB ASN A 81 14.714 5.079 11.535 1.00 0.00 C ATOM 1265 CG ASN A 81 15.529 6.358 11.563 1.00 0.00 C ATOM 1266 OD1 ASN A 81 15.978 6.798 12.622 1.00 0.00 O ATOM 1267 ND2 ASN A 81 15.724 6.961 10.396 1.00 0.00 N ATOM 0 H ASN A 81 15.008 4.742 8.978 1.00 0.00 H new ATOM 0 HA ASN A 81 16.401 3.757 11.379 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.776 5.260 11.010 1.00 0.00 H new ATOM 0 HB3 ASN A 81 14.458 4.792 12.555 1.00 0.00 H new ATOM 0 HD21 ASN A 81 16.265 7.825 10.352 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.333 6.560 9.543 1.00 0.00 H new ATOM 1274 N ILE A 82 14.696 1.842 9.882 1.00 0.00 N ATOM 1275 CA ILE A 82 13.948 0.592 9.831 1.00 0.00 C ATOM 1276 C ILE A 82 14.824 -0.590 10.236 1.00 0.00 C ATOM 1277 O ILE A 82 15.958 -0.722 9.775 1.00 0.00 O ATOM 1278 CB ILE A 82 13.378 0.334 8.423 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.552 1.535 7.957 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.534 -0.931 8.417 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.208 1.646 8.641 1.00 0.00 C ATOM 0 H ILE A 82 15.264 2.028 9.056 1.00 0.00 H new ATOM 0 HA ILE A 82 13.123 0.689 10.537 1.00 0.00 H new ATOM 0 HB ILE A 82 14.208 0.196 7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.119 2.448 8.138 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.398 1.464 6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.138 -1.100 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.150 -1.781 8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.708 -0.821 9.120 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.678 2.520 8.262 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.622 0.750 8.439 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.354 1.749 9.716 1.00 0.00 H new ATOM 1293 N SER A 83 14.289 -1.447 11.099 1.00 0.00 N ATOM 1294 CA SER A 83 15.022 -2.617 11.568 1.00 0.00 C ATOM 1295 C SER A 83 14.629 -3.859 10.774 1.00 0.00 C ATOM 1296 O SER A 83 15.480 -4.667 10.404 1.00 0.00 O ATOM 1297 CB SER A 83 14.758 -2.846 13.058 1.00 0.00 C ATOM 1298 OG SER A 83 15.578 -3.885 13.567 1.00 0.00 O ATOM 0 H SER A 83 13.351 -1.353 11.488 1.00 0.00 H new ATOM 0 HA SER A 83 16.086 -2.433 11.418 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.947 -1.925 13.610 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.709 -3.099 13.210 1.00 0.00 H new ATOM 0 HG SER A 83 15.392 -4.011 14.521 1.00 0.00 H new ATOM 1304 N ARG A 84 13.333 -4.003 10.516 1.00 0.00 N ATOM 1305 CA ARG A 84 12.826 -5.146 9.767 1.00 0.00 C ATOM 1306 C ARG A 84 13.461 -5.213 8.381 1.00 0.00 C ATOM 1307 O ARG A 84 13.482 -4.224 7.647 1.00 0.00 O ATOM 1308 CB ARG A 84 11.304 -5.064 9.638 1.00 0.00 C ATOM 1309 CG ARG A 84 10.567 -5.338 10.939 1.00 0.00 C ATOM 1310 CD ARG A 84 9.145 -4.802 10.897 1.00 0.00 C ATOM 1311 NE ARG A 84 8.263 -5.516 11.817 1.00 0.00 N ATOM 1312 CZ ARG A 84 7.799 -6.740 11.589 1.00 0.00 C ATOM 1313 NH1 ARG A 84 8.131 -7.382 10.478 1.00 0.00 N ATOM 1314 NH2 ARG A 84 7.002 -7.324 12.474 1.00 0.00 N ATOM 0 H ARG A 84 12.616 -3.342 10.815 1.00 0.00 H new ATOM 0 HA ARG A 84 13.090 -6.052 10.313 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.031 -4.072 9.278 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.973 -5.779 8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.547 -6.411 11.128 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.106 -4.878 11.768 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.150 -3.742 11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.756 -4.887 9.882 1.00 0.00 H new ATOM 0 HE ARG A 84 7.988 -5.049 12.681 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.744 -6.937 9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.773 -8.322 10.306 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.745 -6.833 13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.646 -8.264 12.298 1.00 0.00 H new ATOM 1328 N LYS A 85 13.978 -6.385 8.029 1.00 0.00 N ATOM 1329 CA LYS A 85 14.614 -6.583 6.731 1.00 0.00 C ATOM 1330 C LYS A 85 13.569 -6.786 5.639 1.00 0.00 C ATOM 1331 O LYS A 85 12.401 -7.054 5.925 1.00 0.00 O ATOM 1332 CB LYS A 85 15.556 -7.788 6.780 1.00 0.00 C ATOM 1333 CG LYS A 85 16.967 -7.439 7.223 1.00 0.00 C ATOM 1334 CD LYS A 85 17.837 -7.035 6.044 1.00 0.00 C ATOM 1335 CE LYS A 85 19.306 -7.325 6.312 1.00 0.00 C ATOM 1336 NZ LYS A 85 19.559 -8.780 6.502 1.00 0.00 N ATOM 0 H LYS A 85 13.969 -7.213 8.625 1.00 0.00 H new ATOM 0 HA LYS A 85 15.190 -5.688 6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.144 -8.533 7.461 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.597 -8.247 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.931 -6.624 7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.413 -8.295 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.516 -7.572 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.706 -5.972 5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.906 -6.958 5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.627 -6.782 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.538 -9.000 6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.412 -9.030 7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.904 -9.327 5.908 1.00 0.00 H new ATOM 1350 N HIS A 86 13.995 -6.657 4.387 1.00 0.00 N ATOM 1351 CA HIS A 86 13.096 -6.829 3.251 1.00 0.00 C ATOM 1352 C HIS A 86 11.939 -5.837 3.320 1.00 0.00 C ATOM 1353 O HIS A 86 10.771 -6.222 3.253 1.00 0.00 O ATOM 1354 CB HIS A 86 12.556 -8.258 3.213 1.00 0.00 C ATOM 1355 CG HIS A 86 13.523 -9.278 3.730 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.781 -9.462 3.196 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.411 -10.172 4.741 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.400 -10.425 3.855 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.591 -10.872 4.798 1.00 0.00 N ATOM 0 H HIS A 86 14.957 -6.434 4.133 1.00 0.00 H new ATOM 0 HA HIS A 86 13.662 -6.638 2.339 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.640 -8.307 3.801 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.289 -8.510 2.186 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.553 -10.309 5.383 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.398 -10.786 3.656 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.807 -11.616 5.461 1.00 0.00 H new ATOM 1368 N THR A 87 12.271 -4.556 3.454 1.00 0.00 N ATOM 1369 CA THR A 87 11.260 -3.509 3.533 1.00 0.00 C ATOM 1370 C THR A 87 11.383 -2.537 2.366 1.00 0.00 C ATOM 1371 O THR A 87 12.447 -2.408 1.761 1.00 0.00 O ATOM 1372 CB THR A 87 11.367 -2.724 4.854 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.817 -3.494 5.928 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.639 -1.392 4.753 1.00 0.00 C ATOM 0 H THR A 87 13.232 -4.219 3.510 1.00 0.00 H new ATOM 0 HA THR A 87 10.289 -4.003 3.490 1.00 0.00 H new ATOM 0 HB THR A 87 12.421 -2.529 5.050 1.00 0.00 H new ATOM 0 HG1 THR A 87 11.537 -3.780 6.528 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.729 -0.856 5.698 1.00 0.00 H new ATOM 0 HG22 THR A 87 11.080 -0.796 3.954 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.586 -1.569 4.535 1.00 0.00 H new ATOM 1382 N PHE A 88 10.287 -1.853 2.054 1.00 0.00 N ATOM 1383 CA PHE A 88 10.272 -0.891 0.958 1.00 0.00 C ATOM 1384 C PHE A 88 9.299 0.248 1.247 1.00 0.00 C ATOM 1385 O PHE A 88 8.252 0.045 1.862 1.00 0.00 O ATOM 1386 CB PHE A 88 9.889 -1.584 -0.352 1.00 0.00 C ATOM 1387 CG PHE A 88 8.649 -2.424 -0.245 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.621 -3.540 0.577 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.511 -2.099 -0.965 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.481 -4.315 0.676 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.368 -2.870 -0.870 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.353 -3.979 -0.047 1.00 0.00 C ATOM 0 H PHE A 88 9.398 -1.947 2.545 1.00 0.00 H new ATOM 0 HA PHE A 88 11.274 -0.473 0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.741 -0.829 -1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.718 -2.213 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.499 -3.807 1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.517 -1.232 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.472 -5.183 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.488 -2.606 -1.438 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.461 -4.583 0.031 1.00 0.00 H new ATOM 1402 N LYS A 89 9.652 1.448 0.799 1.00 0.00 N ATOM 1403 CA LYS A 89 8.812 2.621 1.007 1.00 0.00 C ATOM 1404 C LYS A 89 8.447 3.273 -0.323 1.00 0.00 C ATOM 1405 O LYS A 89 9.164 3.128 -1.313 1.00 0.00 O ATOM 1406 CB LYS A 89 9.527 3.634 1.904 1.00 0.00 C ATOM 1407 CG LYS A 89 10.644 4.386 1.202 1.00 0.00 C ATOM 1408 CD LYS A 89 11.975 3.666 1.343 1.00 0.00 C ATOM 1409 CE LYS A 89 13.000 4.189 0.347 1.00 0.00 C ATOM 1410 NZ LYS A 89 12.968 5.674 0.247 1.00 0.00 N ATOM 0 H LYS A 89 10.516 1.634 0.289 1.00 0.00 H new ATOM 0 HA LYS A 89 7.894 2.296 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.798 4.352 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.938 3.114 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.400 4.499 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.726 5.390 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.353 3.794 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.830 2.597 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.997 3.867 0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.808 3.755 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.828 6.008 -0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.132 5.967 -0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.922 6.085 1.201 1.00 0.00 H new ATOM 1424 N ALA A 90 7.330 3.992 -0.338 1.00 0.00 N ATOM 1425 CA ALA A 90 6.873 4.668 -1.545 1.00 0.00 C ATOM 1426 C ALA A 90 6.511 6.122 -1.257 1.00 0.00 C ATOM 1427 O ALA A 90 5.622 6.401 -0.454 1.00 0.00 O ATOM 1428 CB ALA A 90 5.681 3.935 -2.143 1.00 0.00 C ATOM 0 H ALA A 90 6.725 4.121 0.473 1.00 0.00 H new ATOM 0 HA ALA A 90 7.690 4.660 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.351 4.452 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.970 2.915 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.867 3.913 -1.419 1.00 0.00 H new ATOM 1434 N GLU A 91 7.208 7.042 -1.917 1.00 0.00 N ATOM 1435 CA GLU A 91 6.960 8.467 -1.729 1.00 0.00 C ATOM 1436 C GLU A 91 7.004 9.207 -3.062 1.00 0.00 C ATOM 1437 O GLU A 91 7.867 8.947 -3.902 1.00 0.00 O ATOM 1438 CB GLU A 91 7.990 9.064 -0.767 1.00 0.00 C ATOM 1439 CG GLU A 91 9.218 9.625 -1.462 1.00 0.00 C ATOM 1440 CD GLU A 91 10.435 9.661 -0.558 1.00 0.00 C ATOM 1441 OE1 GLU A 91 10.941 8.578 -0.199 1.00 0.00 O ATOM 1442 OE2 GLU A 91 10.881 10.775 -0.210 1.00 0.00 O ATOM 0 H GLU A 91 7.948 6.827 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 91 5.964 8.583 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.517 9.857 -0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.302 8.296 -0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.441 9.021 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.002 10.634 -1.815 1.00 0.00 H new ATOM 1449 N HIS A 92 6.068 10.131 -3.251 1.00 0.00 N ATOM 1450 CA HIS A 92 5.999 10.910 -4.482 1.00 0.00 C ATOM 1451 C HIS A 92 6.870 12.159 -4.384 1.00 0.00 C ATOM 1452 O HIS A 92 6.944 12.951 -5.323 1.00 0.00 O ATOM 1453 CB HIS A 92 4.552 11.306 -4.780 1.00 0.00 C ATOM 1454 CG HIS A 92 4.413 12.233 -5.948 1.00 0.00 C ATOM 1455 ND1 HIS A 92 4.243 13.595 -5.813 1.00 0.00 N ATOM 1456 CD2 HIS A 92 4.422 11.987 -7.279 1.00 0.00 C ATOM 1457 CE1 HIS A 92 4.151 14.146 -7.010 1.00 0.00 C ATOM 1458 NE2 HIS A 92 4.257 13.192 -7.917 1.00 0.00 N ATOM 0 H HIS A 92 5.346 10.359 -2.567 1.00 0.00 H new ATOM 0 HA HIS A 92 6.373 10.290 -5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.969 10.405 -4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.125 11.781 -3.897 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.537 11.023 -7.751 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.013 15.198 -7.212 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.222 13.328 -8.927 1.00 0.00 H new ATOM 1467 N ALA A 93 7.528 12.327 -3.242 1.00 0.00 N ATOM 1468 CA ALA A 93 8.395 13.478 -3.023 1.00 0.00 C ATOM 1469 C ALA A 93 7.604 14.781 -3.081 1.00 0.00 C ATOM 1470 O ALA A 93 7.932 15.683 -3.850 1.00 0.00 O ATOM 1471 CB ALA A 93 9.520 13.495 -4.048 1.00 0.00 C ATOM 0 H ALA A 93 7.477 11.681 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 93 8.828 13.390 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.159 14.360 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.110 12.583 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.097 13.554 -5.051 1.00 0.00 H new ATOM 1477 N GLY A 94 6.560 14.871 -2.262 1.00 0.00 N ATOM 1478 CA GLY A 94 5.738 16.067 -2.238 1.00 0.00 C ATOM 1479 C GLY A 94 4.472 15.883 -1.425 1.00 0.00 C ATOM 1480 O GLY A 94 3.871 16.856 -0.970 1.00 0.00 O ATOM 0 H GLY A 94 6.269 14.138 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.316 16.893 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.474 16.343 -3.259 1.00 0.00 H new ATOM 1484 N VAL A 95 4.064 14.631 -1.243 1.00 0.00 N ATOM 1485 CA VAL A 95 2.860 14.322 -0.480 1.00 0.00 C ATOM 1486 C VAL A 95 3.202 13.595 0.815 1.00 0.00 C ATOM 1487 O VAL A 95 2.840 14.042 1.904 1.00 0.00 O ATOM 1488 CB VAL A 95 1.883 13.458 -1.299 1.00 0.00 C ATOM 1489 CG1 VAL A 95 1.305 14.257 -2.458 1.00 0.00 C ATOM 1490 CG2 VAL A 95 2.577 12.201 -1.801 1.00 0.00 C ATOM 0 H VAL A 95 4.550 13.814 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 95 2.382 15.273 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 95 1.060 13.157 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.617 13.630 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.770 15.124 -2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.113 14.590 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.872 11.602 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.420 12.479 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.937 11.620 -0.952 1.00 0.00 H new ATOM 1500 N ARG A 96 3.900 12.472 0.690 1.00 0.00 N ATOM 1501 CA ARG A 96 4.290 11.681 1.851 1.00 0.00 C ATOM 1502 C ARG A 96 5.132 10.479 1.433 1.00 0.00 C ATOM 1503 O ARG A 96 5.424 10.293 0.251 1.00 0.00 O ATOM 1504 CB ARG A 96 3.051 11.209 2.613 1.00 0.00 C ATOM 1505 CG ARG A 96 2.285 10.103 1.905 1.00 0.00 C ATOM 1506 CD ARG A 96 1.146 10.663 1.068 1.00 0.00 C ATOM 1507 NE ARG A 96 -0.044 10.930 1.871 1.00 0.00 N ATOM 1508 CZ ARG A 96 -1.273 10.983 1.370 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -1.472 10.786 0.074 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -2.305 11.231 2.165 1.00 0.00 N ATOM 0 H ARG A 96 4.207 12.089 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 96 4.891 12.314 2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.354 10.856 3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.385 12.058 2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.965 9.539 1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.888 9.405 2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.471 11.584 0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.898 9.957 0.276 1.00 0.00 H new ATOM 0 HE ARG A 96 0.075 11.084 2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.681 10.593 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.416 10.827 -0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.156 11.381 3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.248 11.271 1.779 1.00 0.00 H new ATOM 1524 N THR A 97 5.520 9.666 2.411 1.00 0.00 N ATOM 1525 CA THR A 97 6.330 8.483 2.145 1.00 0.00 C ATOM 1526 C THR A 97 5.792 7.269 2.894 1.00 0.00 C ATOM 1527 O THR A 97 5.998 7.131 4.100 1.00 0.00 O ATOM 1528 CB THR A 97 7.800 8.708 2.543 1.00 0.00 C ATOM 1529 OG1 THR A 97 8.309 9.881 1.898 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.653 7.506 2.166 1.00 0.00 C ATOM 0 H THR A 97 5.286 9.805 3.394 1.00 0.00 H new ATOM 0 HA THR A 97 6.276 8.298 1.072 1.00 0.00 H new ATOM 0 HB THR A 97 7.844 8.840 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.244 10.018 2.158 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.687 7.688 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.282 6.620 2.682 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.602 7.347 1.089 1.00 0.00 H new ATOM 1538 N TYR A 98 5.103 6.392 2.172 1.00 0.00 N ATOM 1539 CA TYR A 98 4.534 5.190 2.770 1.00 0.00 C ATOM 1540 C TYR A 98 5.603 4.118 2.959 1.00 0.00 C ATOM 1541 O TYR A 98 6.624 4.114 2.271 1.00 0.00 O ATOM 1542 CB TYR A 98 3.401 4.649 1.897 1.00 0.00 C ATOM 1543 CG TYR A 98 2.135 5.473 1.968 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.282 5.379 3.061 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.793 6.346 0.943 1.00 0.00 C ATOM 1546 CE1 TYR A 98 0.124 6.129 3.129 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.638 7.102 1.004 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.194 6.989 2.099 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.345 7.739 2.164 1.00 0.00 O ATOM 0 H TYR A 98 4.925 6.491 1.173 1.00 0.00 H new ATOM 0 HA TYR A 98 4.134 5.455 3.749 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.740 4.607 0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.176 3.626 2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.529 4.708 3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.441 6.435 0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.529 6.042 3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.388 7.777 0.199 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.558 7.930 3.101 1.00 0.00 H new ATOM 1559 N PHE A 99 5.359 3.208 3.896 1.00 0.00 N ATOM 1560 CA PHE A 99 6.299 2.129 4.177 1.00 0.00 C ATOM 1561 C PHE A 99 5.599 0.774 4.140 1.00 0.00 C ATOM 1562 O PHE A 99 4.410 0.669 4.440 1.00 0.00 O ATOM 1563 CB PHE A 99 6.956 2.340 5.543 1.00 0.00 C ATOM 1564 CG PHE A 99 8.185 3.201 5.491 1.00 0.00 C ATOM 1565 CD1 PHE A 99 9.427 2.645 5.229 1.00 0.00 C ATOM 1566 CD2 PHE A 99 8.099 4.568 5.704 1.00 0.00 C ATOM 1567 CE1 PHE A 99 10.559 3.436 5.181 1.00 0.00 C ATOM 1568 CE2 PHE A 99 9.228 5.364 5.657 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.460 4.797 5.394 1.00 0.00 C ATOM 0 H PHE A 99 4.518 3.196 4.474 1.00 0.00 H new ATOM 0 HA PHE A 99 7.069 2.141 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.232 2.795 6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.220 1.370 5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.511 1.582 5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.138 5.017 5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.521 2.990 4.977 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.147 6.428 5.826 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.344 5.417 5.355 1.00 0.00 H new ATOM 1579 N PHE A 100 6.346 -0.261 3.770 1.00 0.00 N ATOM 1580 CA PHE A 100 5.798 -1.610 3.692 1.00 0.00 C ATOM 1581 C PHE A 100 6.889 -2.654 3.912 1.00 0.00 C ATOM 1582 O PHE A 100 7.873 -2.705 3.174 1.00 0.00 O ATOM 1583 CB PHE A 100 5.129 -1.834 2.334 1.00 0.00 C ATOM 1584 CG PHE A 100 4.208 -0.719 1.929 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.993 -0.539 2.569 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.557 0.149 0.906 1.00 0.00 C ATOM 1587 CE1 PHE A 100 2.143 0.486 2.199 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.711 1.176 0.532 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.502 1.344 1.178 1.00 0.00 C ATOM 0 H PHE A 100 7.332 -0.191 3.520 1.00 0.00 H new ATOM 0 HA PHE A 100 5.052 -1.718 4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.900 -1.952 1.573 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.566 -2.767 2.365 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.706 -1.208 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.500 0.021 0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.199 0.616 2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.995 1.847 -0.265 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.839 2.145 0.885 1.00 0.00 H new ATOM 1599 N SER A 101 6.706 -3.485 4.934 1.00 0.00 N ATOM 1600 CA SER A 101 7.676 -4.525 5.255 1.00 0.00 C ATOM 1601 C SER A 101 7.178 -5.893 4.797 1.00 0.00 C ATOM 1602 O SER A 101 5.975 -6.147 4.761 1.00 0.00 O ATOM 1603 CB SER A 101 7.951 -4.548 6.760 1.00 0.00 C ATOM 1604 OG SER A 101 8.713 -5.687 7.122 1.00 0.00 O ATOM 0 H SER A 101 5.896 -3.458 5.553 1.00 0.00 H new ATOM 0 HA SER A 101 8.602 -4.299 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.485 -3.643 7.049 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.007 -4.550 7.305 1.00 0.00 H new ATOM 0 HG SER A 101 9.659 -5.525 6.922 1.00 0.00 H new ATOM 1610 N ALA A 102 8.114 -6.769 4.447 1.00 0.00 N ATOM 1611 CA ALA A 102 7.772 -8.111 3.993 1.00 0.00 C ATOM 1612 C ALA A 102 8.427 -9.172 4.872 1.00 0.00 C ATOM 1613 O ALA A 102 9.556 -9.001 5.328 1.00 0.00 O ATOM 1614 CB ALA A 102 8.185 -8.298 2.540 1.00 0.00 C ATOM 0 H ALA A 102 9.115 -6.573 4.469 1.00 0.00 H new ATOM 0 HA ALA A 102 6.691 -8.229 4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.924 -9.305 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.666 -7.569 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.261 -8.154 2.446 1.00 0.00 H new ATOM 1620 N GLU A 103 7.709 -10.267 5.104 1.00 0.00 N ATOM 1621 CA GLU A 103 8.222 -11.354 5.929 1.00 0.00 C ATOM 1622 C GLU A 103 9.411 -12.034 5.257 1.00 0.00 C ATOM 1623 O GLU A 103 10.360 -12.448 5.922 1.00 0.00 O ATOM 1624 CB GLU A 103 7.120 -12.381 6.201 1.00 0.00 C ATOM 1625 CG GLU A 103 6.109 -11.928 7.241 1.00 0.00 C ATOM 1626 CD GLU A 103 5.168 -13.040 7.662 1.00 0.00 C ATOM 1627 OE1 GLU A 103 5.656 -14.069 8.175 1.00 0.00 O ATOM 1628 OE2 GLU A 103 3.943 -12.881 7.479 1.00 0.00 O ATOM 0 H GLU A 103 6.772 -10.424 4.733 1.00 0.00 H new ATOM 0 HA GLU A 103 8.556 -10.930 6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.598 -12.597 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.577 -13.313 6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.638 -11.553 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.528 -11.098 6.840 1.00 0.00 H new ATOM 1635 N SER A 104 9.351 -12.145 3.934 1.00 0.00 N ATOM 1636 CA SER A 104 10.421 -12.778 3.171 1.00 0.00 C ATOM 1637 C SER A 104 10.931 -11.847 2.075 1.00 0.00 C ATOM 1638 O SER A 104 10.206 -10.993 1.563 1.00 0.00 O ATOM 1639 CB SER A 104 9.929 -14.089 2.554 1.00 0.00 C ATOM 1640 OG SER A 104 9.436 -14.968 3.551 1.00 0.00 O ATOM 0 H SER A 104 8.573 -11.805 3.368 1.00 0.00 H new ATOM 0 HA SER A 104 11.243 -12.992 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.143 -13.881 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.745 -14.569 2.013 1.00 0.00 H new ATOM 0 HG SER A 104 9.126 -15.798 3.131 1.00 0.00 H new ATOM 1646 N PRO A 105 12.209 -12.014 1.705 1.00 0.00 N ATOM 1647 CA PRO A 105 12.846 -11.199 0.667 1.00 0.00 C ATOM 1648 C PRO A 105 12.301 -11.504 -0.725 1.00 0.00 C ATOM 1649 O PRO A 105 12.459 -10.709 -1.650 1.00 0.00 O ATOM 1650 CB PRO A 105 14.322 -11.594 0.761 1.00 0.00 C ATOM 1651 CG PRO A 105 14.311 -12.966 1.341 1.00 0.00 C ATOM 1652 CD PRO A 105 13.131 -13.013 2.273 1.00 0.00 C ATOM 0 HA PRO A 105 12.665 -10.135 0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.798 -11.583 -0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.878 -10.901 1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.220 -13.720 0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.239 -13.171 1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.681 -14.005 2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.416 -12.762 3.295 1.00 0.00 H new ATOM 1660 N GLU A 106 11.660 -12.660 -0.864 1.00 0.00 N ATOM 1661 CA GLU A 106 11.092 -13.069 -2.143 1.00 0.00 C ATOM 1662 C GLU A 106 9.779 -12.341 -2.413 1.00 0.00 C ATOM 1663 O GLU A 106 9.297 -12.309 -3.545 1.00 0.00 O ATOM 1664 CB GLU A 106 10.864 -14.582 -2.165 1.00 0.00 C ATOM 1665 CG GLU A 106 12.103 -15.380 -2.534 1.00 0.00 C ATOM 1666 CD GLU A 106 11.949 -16.861 -2.250 1.00 0.00 C ATOM 1667 OE1 GLU A 106 11.397 -17.577 -3.112 1.00 0.00 O ATOM 1668 OE2 GLU A 106 12.382 -17.305 -1.166 1.00 0.00 O ATOM 0 H GLU A 106 11.521 -13.329 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 106 11.801 -12.805 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.515 -14.902 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.070 -14.811 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.320 -15.238 -3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.958 -14.994 -1.978 1.00 0.00 H new ATOM 1675 N GLU A 107 9.205 -11.759 -1.365 1.00 0.00 N ATOM 1676 CA GLU A 107 7.946 -11.033 -1.489 1.00 0.00 C ATOM 1677 C GLU A 107 8.197 -9.546 -1.721 1.00 0.00 C ATOM 1678 O GLU A 107 7.522 -8.913 -2.532 1.00 0.00 O ATOM 1679 CB GLU A 107 7.094 -11.228 -0.233 1.00 0.00 C ATOM 1680 CG GLU A 107 6.413 -12.584 -0.164 1.00 0.00 C ATOM 1681 CD GLU A 107 5.158 -12.651 -1.013 1.00 0.00 C ATOM 1682 OE1 GLU A 107 5.281 -12.855 -2.239 1.00 0.00 O ATOM 1683 OE2 GLU A 107 4.053 -12.500 -0.451 1.00 0.00 O ATOM 0 H GLU A 107 9.591 -11.776 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 107 7.409 -11.432 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.725 -11.103 0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.335 -10.447 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.111 -13.354 -0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.158 -12.806 0.872 1.00 0.00 H new ATOM 1690 N GLN A 108 9.171 -8.997 -1.004 1.00 0.00 N ATOM 1691 CA GLN A 108 9.510 -7.584 -1.131 1.00 0.00 C ATOM 1692 C GLN A 108 9.857 -7.236 -2.575 1.00 0.00 C ATOM 1693 O GLN A 108 9.236 -6.361 -3.177 1.00 0.00 O ATOM 1694 CB GLN A 108 10.683 -7.235 -0.214 1.00 0.00 C ATOM 1695 CG GLN A 108 11.216 -5.826 -0.417 1.00 0.00 C ATOM 1696 CD GLN A 108 12.675 -5.691 -0.027 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.462 -6.624 -0.190 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.044 -4.526 0.493 1.00 0.00 N ATOM 0 H GLN A 108 9.740 -9.508 -0.329 1.00 0.00 H new ATOM 0 HA GLN A 108 8.640 -6.999 -0.834 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.369 -7.350 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.490 -7.948 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.096 -5.544 -1.463 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.621 -5.128 0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.359 -3.780 0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.013 -4.377 0.775 1.00 0.00 H new ATOM 1707 N GLU A 109 10.852 -7.926 -3.122 1.00 0.00 N ATOM 1708 CA GLU A 109 11.282 -7.687 -4.495 1.00 0.00 C ATOM 1709 C GLU A 109 10.123 -7.883 -5.469 1.00 0.00 C ATOM 1710 O GLU A 109 9.869 -7.036 -6.325 1.00 0.00 O ATOM 1711 CB GLU A 109 12.435 -8.624 -4.863 1.00 0.00 C ATOM 1712 CG GLU A 109 11.979 -9.950 -5.448 1.00 0.00 C ATOM 1713 CD GLU A 109 13.138 -10.821 -5.891 1.00 0.00 C ATOM 1714 OE1 GLU A 109 13.633 -11.616 -5.066 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.550 -10.707 -7.065 1.00 0.00 O ATOM 0 H GLU A 109 11.375 -8.654 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 109 11.625 -6.655 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.084 -8.123 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.034 -8.816 -3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.389 -10.487 -4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.325 -9.762 -6.299 1.00 0.00 H new ATOM 1722 N ALA A 110 9.425 -9.005 -5.332 1.00 0.00 N ATOM 1723 CA ALA A 110 8.293 -9.312 -6.198 1.00 0.00 C ATOM 1724 C ALA A 110 7.280 -8.172 -6.201 1.00 0.00 C ATOM 1725 O ALA A 110 6.840 -7.724 -7.260 1.00 0.00 O ATOM 1726 CB ALA A 110 7.630 -10.609 -5.759 1.00 0.00 C ATOM 0 H ALA A 110 9.623 -9.717 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 110 8.667 -9.434 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.786 -10.826 -6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.352 -11.424 -5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.276 -10.508 -4.733 1.00 0.00 H new ATOM 1732 N TRP A 111 6.914 -7.709 -5.012 1.00 0.00 N ATOM 1733 CA TRP A 111 5.951 -6.621 -4.878 1.00 0.00 C ATOM 1734 C TRP A 111 6.421 -5.383 -5.634 1.00 0.00 C ATOM 1735 O TRP A 111 5.667 -4.794 -6.409 1.00 0.00 O ATOM 1736 CB TRP A 111 5.735 -6.282 -3.403 1.00 0.00 C ATOM 1737 CG TRP A 111 4.621 -7.062 -2.772 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.740 -8.055 -1.841 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.220 -6.914 -3.026 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.497 -8.533 -1.503 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.548 -7.849 -2.215 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.468 -6.081 -3.859 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.161 -7.973 -2.215 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.091 -6.206 -3.858 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.450 -7.145 -3.040 1.00 0.00 C ATOM 0 H TRP A 111 7.269 -8.069 -4.126 1.00 0.00 H new ATOM 0 HA TRP A 111 5.006 -6.950 -5.309 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.658 -6.472 -2.855 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.522 -5.217 -3.310 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.673 -8.412 -1.431 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.311 -9.277 -0.830 1.00 0.00 H new ATOM 0 HE3 TRP A 111 2.954 -5.353 -4.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.664 -8.697 -1.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.500 -5.569 -4.499 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.627 -7.217 -3.061 1.00 0.00 H new ATOM 1756 N ILE A 112 7.670 -4.993 -5.403 1.00 0.00 N ATOM 1757 CA ILE A 112 8.240 -3.825 -6.063 1.00 0.00 C ATOM 1758 C ILE A 112 8.055 -3.903 -7.575 1.00 0.00 C ATOM 1759 O ILE A 112 7.708 -2.914 -8.219 1.00 0.00 O ATOM 1760 CB ILE A 112 9.740 -3.676 -5.748 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.938 -3.259 -4.289 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.380 -2.662 -6.686 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.369 -3.381 -3.815 1.00 0.00 C ATOM 0 H ILE A 112 8.307 -5.469 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 112 7.708 -2.955 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 112 10.226 -4.640 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.610 -2.227 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.300 -3.873 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.440 -2.568 -6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.265 -2.997 -7.717 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.893 -1.694 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.435 -3.069 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.695 -4.417 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.010 -2.745 -4.425 1.00 0.00 H new ATOM 1775 N GLN A 113 8.287 -5.087 -8.133 1.00 0.00 N ATOM 1776 CA GLN A 113 8.144 -5.294 -9.570 1.00 0.00 C ATOM 1777 C GLN A 113 6.801 -4.769 -10.065 1.00 0.00 C ATOM 1778 O GLN A 113 6.724 -4.116 -11.105 1.00 0.00 O ATOM 1779 CB GLN A 113 8.281 -6.780 -9.908 1.00 0.00 C ATOM 1780 CG GLN A 113 9.611 -7.381 -9.484 1.00 0.00 C ATOM 1781 CD GLN A 113 10.038 -8.536 -10.368 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.207 -9.321 -10.828 1.00 0.00 O ATOM 1783 NE2 GLN A 113 11.338 -8.647 -10.612 1.00 0.00 N ATOM 0 H GLN A 113 8.574 -5.916 -7.613 1.00 0.00 H new ATOM 0 HA GLN A 113 8.937 -4.740 -10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.473 -7.330 -9.425 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.158 -6.912 -10.983 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.379 -6.608 -9.507 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.537 -7.726 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.991 -7.975 -10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.683 -9.405 -11.201 1.00 0.00 H new ATOM 1792 N ALA A 114 5.744 -5.059 -9.313 1.00 0.00 N ATOM 1793 CA ALA A 114 4.404 -4.615 -9.675 1.00 0.00 C ATOM 1794 C ALA A 114 4.166 -3.174 -9.234 1.00 0.00 C ATOM 1795 O ALA A 114 3.797 -2.321 -10.041 1.00 0.00 O ATOM 1796 CB ALA A 114 3.359 -5.536 -9.063 1.00 0.00 C ATOM 0 H ALA A 114 5.790 -5.600 -8.449 1.00 0.00 H new ATOM 0 HA ALA A 114 4.315 -4.655 -10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.363 -5.192 -9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.509 -6.551 -9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.456 -5.525 -7.977 1.00 0.00 H new ATOM 1802 N MET A 115 4.377 -2.911 -7.948 1.00 0.00 N ATOM 1803 CA MET A 115 4.186 -1.573 -7.401 1.00 0.00 C ATOM 1804 C MET A 115 5.076 -0.561 -8.115 1.00 0.00 C ATOM 1805 O MET A 115 4.588 0.398 -8.710 1.00 0.00 O ATOM 1806 CB MET A 115 4.485 -1.565 -5.901 1.00 0.00 C ATOM 1807 CG MET A 115 3.328 -2.059 -5.047 1.00 0.00 C ATOM 1808 SD MET A 115 3.449 -1.515 -3.332 1.00 0.00 S ATOM 1809 CE MET A 115 2.848 -2.968 -2.474 1.00 0.00 C ATOM 0 H MET A 115 4.680 -3.606 -7.266 1.00 0.00 H new ATOM 0 HA MET A 115 3.146 -1.288 -7.558 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.359 -2.188 -5.710 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.744 -0.551 -5.596 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.390 -1.702 -5.472 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.298 -3.148 -5.077 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.643 -2.717 -1.433 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.932 -3.319 -2.950 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.603 -3.754 -2.516 1.00 0.00 H new ATOM 1819 N GLY A 116 6.386 -0.782 -8.050 1.00 0.00 N ATOM 1820 CA GLY A 116 7.323 0.120 -8.694 1.00 0.00 C ATOM 1821 C GLY A 116 6.902 0.482 -10.105 1.00 0.00 C ATOM 1822 O GLY A 116 6.763 1.659 -10.434 1.00 0.00 O ATOM 0 H GLY A 116 6.815 -1.569 -7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.413 1.030 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.309 -0.343 -8.720 1.00 0.00 H new ATOM 1826 N GLU A 117 6.701 -0.533 -10.940 1.00 0.00 N ATOM 1827 CA GLU A 117 6.297 -0.314 -12.324 1.00 0.00 C ATOM 1828 C GLU A 117 4.950 0.401 -12.391 1.00 0.00 C ATOM 1829 O GLU A 117 4.773 1.343 -13.162 1.00 0.00 O ATOM 1830 CB GLU A 117 6.218 -1.646 -13.072 1.00 0.00 C ATOM 1831 CG GLU A 117 7.534 -2.069 -13.702 1.00 0.00 C ATOM 1832 CD GLU A 117 7.723 -1.502 -15.096 1.00 0.00 C ATOM 1833 OE1 GLU A 117 7.260 -2.141 -16.064 1.00 0.00 O ATOM 1834 OE2 GLU A 117 8.333 -0.420 -15.218 1.00 0.00 O ATOM 0 H GLU A 117 6.811 -1.514 -10.682 1.00 0.00 H new ATOM 0 HA GLU A 117 7.048 0.317 -12.799 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.890 -2.422 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.459 -1.571 -13.851 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.358 -1.743 -13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.577 -3.157 -13.748 1.00 0.00 H new ATOM 1841 N ALA A 118 4.004 -0.056 -11.577 1.00 0.00 N ATOM 1842 CA ALA A 118 2.674 0.540 -11.542 1.00 0.00 C ATOM 1843 C ALA A 118 2.723 1.962 -10.994 1.00 0.00 C ATOM 1844 O ALA A 118 1.760 2.718 -11.115 1.00 0.00 O ATOM 1845 CB ALA A 118 1.734 -0.317 -10.707 1.00 0.00 C ATOM 0 H ALA A 118 4.134 -0.837 -10.933 1.00 0.00 H new ATOM 0 HA ALA A 118 2.297 0.586 -12.564 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.744 0.140 -10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.666 -1.314 -11.143 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.117 -0.392 -9.689 1.00 0.00 H new ATOM 1851 N ALA A 119 3.852 2.320 -10.391 1.00 0.00 N ATOM 1852 CA ALA A 119 4.028 3.652 -9.826 1.00 0.00 C ATOM 1853 C ALA A 119 4.964 4.495 -10.686 1.00 0.00 C ATOM 1854 O ALA A 119 5.202 5.667 -10.396 1.00 0.00 O ATOM 1855 CB ALA A 119 4.557 3.557 -8.403 1.00 0.00 C ATOM 0 H ALA A 119 4.659 1.706 -10.281 1.00 0.00 H new ATOM 0 HA ALA A 119 3.055 4.142 -9.807 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.683 4.559 -7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.849 3.001 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.518 3.042 -8.406 1.00 0.00 H new ATOM 1861 N ARG A 120 5.494 3.889 -11.744 1.00 0.00 N ATOM 1862 CA ARG A 120 6.406 4.583 -12.645 1.00 0.00 C ATOM 1863 C ARG A 120 5.750 5.831 -13.228 1.00 0.00 C ATOM 1864 O ARG A 120 4.636 6.194 -12.850 1.00 0.00 O ATOM 1865 CB ARG A 120 6.848 3.651 -13.774 1.00 0.00 C ATOM 1866 CG ARG A 120 7.910 2.647 -13.355 1.00 0.00 C ATOM 1867 CD ARG A 120 9.262 3.314 -13.161 1.00 0.00 C ATOM 1868 NE ARG A 120 10.088 2.604 -12.189 1.00 0.00 N ATOM 1869 CZ ARG A 120 10.631 1.413 -12.417 1.00 0.00 C ATOM 1870 NH1 ARG A 120 10.437 0.803 -13.578 1.00 0.00 N ATOM 1871 NH2 ARG A 120 11.371 0.830 -11.482 1.00 0.00 N ATOM 0 H ARG A 120 5.307 2.919 -11.998 1.00 0.00 H new ATOM 0 HA ARG A 120 7.281 4.888 -12.071 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.979 3.112 -14.150 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.232 4.251 -14.599 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.607 2.161 -12.428 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.993 1.867 -14.112 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.784 3.359 -14.117 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.115 4.342 -12.830 1.00 0.00 H new ATOM 0 HE ARG A 120 10.257 3.046 -11.286 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.870 1.248 -14.299 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.855 -0.111 -13.750 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.523 1.296 -10.588 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.787 -0.084 -11.658 1.00 0.00 H new