USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 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 180:sc= 0.422 USER MOD Set 1.2: A 101 SER OG : rot 75:sc= 0.299 USER MOD Set 2.1: A 50 CYS SG : rot -120:sc= 0.302 USER MOD Set 2.2: A 65 SER OG : rot 180:sc= -0.0249 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.133 (180deg=-0.361) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= -0.0806 (180deg=-0.507) USER MOD Single : A 31 GLN : amide:sc=-0.00605 X(o=-0.0061,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0798 K(o=-0.08,f=-1.7!) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.494 F(o=-1.7,f=-0.49) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0843 USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0.0183 (180deg=0.016) 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 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.138 K(o=0.14,f=-1.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HE2:sc= -3.92! C(o=-3.9!,f=-7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.6) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -1.65 K(o=-1.7,f=-4.5!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= -0.0301 (180deg=-0.0301) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.439 4.765 -7.017 1.00 0.00 N ATOM 177 CA LYS A 15 -12.307 3.609 -6.820 1.00 0.00 C ATOM 178 C LYS A 15 -11.742 2.379 -7.524 1.00 0.00 C ATOM 179 O LYS A 15 -10.959 2.496 -8.466 1.00 0.00 O ATOM 180 CB LYS A 15 -13.714 3.907 -7.342 1.00 0.00 C ATOM 181 CG LYS A 15 -14.785 3.008 -6.750 1.00 0.00 C ATOM 182 CD LYS A 15 -15.061 3.352 -5.296 1.00 0.00 C ATOM 183 CE LYS A 15 -16.019 4.527 -5.173 1.00 0.00 C ATOM 184 NZ LYS A 15 -17.441 4.094 -5.251 1.00 0.00 N ATOM 0 HA LYS A 15 -12.359 3.403 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.961 4.946 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.720 3.800 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.704 3.105 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.470 1.967 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.482 2.484 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.124 3.591 -4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.847 5.038 -4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.815 5.247 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.062 4.924 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.613 3.628 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.644 3.427 -4.479 1.00 0.00 H new ATOM 198 N ARG A 16 -12.146 1.201 -7.060 1.00 0.00 N ATOM 199 CA ARG A 16 -11.681 -0.051 -7.645 1.00 0.00 C ATOM 200 C ARG A 16 -12.843 -0.834 -8.250 1.00 0.00 C ATOM 201 O ARG A 16 -13.958 -0.807 -7.732 1.00 0.00 O ATOM 202 CB ARG A 16 -10.974 -0.901 -6.588 1.00 0.00 C ATOM 203 CG ARG A 16 -10.411 -2.204 -7.131 1.00 0.00 C ATOM 204 CD ARG A 16 -10.188 -3.220 -6.022 1.00 0.00 C ATOM 205 NE ARG A 16 -10.177 -4.590 -6.528 1.00 0.00 N ATOM 206 CZ ARG A 16 -11.277 -5.270 -6.832 1.00 0.00 C ATOM 207 NH1 ARG A 16 -12.469 -4.709 -6.682 1.00 0.00 N ATOM 208 NH2 ARG A 16 -11.186 -6.513 -7.288 1.00 0.00 N ATOM 0 H ARG A 16 -12.794 1.087 -6.281 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.975 0.189 -8.440 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.163 -0.320 -6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.676 -1.125 -5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.096 -2.617 -7.872 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.468 -2.009 -7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.242 -3.010 -5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.973 -3.117 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.275 -5.050 -6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.543 -3.754 -6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.312 -5.233 -6.916 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.271 -6.947 -7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.031 -7.034 -7.521 1.00 0.00 H new ATOM 222 N ASN A 17 -12.572 -1.529 -9.350 1.00 0.00 N ATOM 223 CA ASN A 17 -13.595 -2.319 -10.025 1.00 0.00 C ATOM 224 C ASN A 17 -13.344 -3.812 -9.836 1.00 0.00 C ATOM 225 O ASN A 17 -12.205 -4.279 -9.830 1.00 0.00 O ATOM 226 CB ASN A 17 -13.627 -1.981 -11.517 1.00 0.00 C ATOM 227 CG ASN A 17 -14.125 -0.573 -11.781 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.330 -0.328 -11.830 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.196 0.360 -11.953 1.00 0.00 N ATOM 0 H ASN A 17 -11.654 -1.561 -9.792 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.560 -2.073 -9.582 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.626 -2.093 -11.934 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.269 -2.694 -12.034 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.470 1.326 -12.134 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.208 0.111 -11.904 1.00 0.00 H new ATOM 236 N PRO A 18 -14.433 -4.579 -9.677 1.00 0.00 N ATOM 237 CA PRO A 18 -14.357 -6.031 -9.486 1.00 0.00 C ATOM 238 C PRO A 18 -13.906 -6.759 -10.747 1.00 0.00 C ATOM 239 O PRO A 18 -13.152 -7.729 -10.679 1.00 0.00 O ATOM 240 CB PRO A 18 -15.794 -6.417 -9.130 1.00 0.00 C ATOM 241 CG PRO A 18 -16.636 -5.352 -9.743 1.00 0.00 C ATOM 242 CD PRO A 18 -15.822 -4.090 -9.674 1.00 0.00 C ATOM 0 HA PRO A 18 -13.627 -6.304 -8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.049 -7.400 -9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.936 -6.461 -8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.887 -5.598 -10.775 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.577 -5.240 -9.204 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.020 -3.437 -10.524 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.044 -3.517 -8.774 1.00 0.00 H new ATOM 250 N ASN A 19 -14.373 -6.285 -11.898 1.00 0.00 N ATOM 251 CA ASN A 19 -14.018 -6.892 -13.175 1.00 0.00 C ATOM 252 C ASN A 19 -12.513 -6.813 -13.415 1.00 0.00 C ATOM 253 O ASN A 19 -11.904 -7.756 -13.919 1.00 0.00 O ATOM 254 CB ASN A 19 -14.765 -6.201 -14.318 1.00 0.00 C ATOM 255 CG ASN A 19 -16.259 -6.457 -14.270 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.704 -7.522 -13.843 1.00 0.00 O ATOM 257 ND2 ASN A 19 -17.041 -5.477 -14.709 1.00 0.00 N ATOM 0 H ASN A 19 -14.998 -5.482 -11.972 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.309 -7.942 -13.143 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.581 -5.128 -14.272 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.369 -6.551 -15.271 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.055 -5.591 -14.701 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.628 -4.611 -15.054 1.00 0.00 H new ATOM 264 N ALA A 20 -11.920 -5.681 -13.050 1.00 0.00 N ATOM 265 CA ALA A 20 -10.487 -5.479 -13.223 1.00 0.00 C ATOM 266 C ALA A 20 -9.694 -6.644 -12.639 1.00 0.00 C ATOM 267 O ALA A 20 -9.947 -7.101 -11.524 1.00 0.00 O ATOM 268 CB ALA A 20 -10.057 -4.170 -12.579 1.00 0.00 C ATOM 0 H ALA A 20 -12.410 -4.890 -12.633 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.278 -5.431 -14.292 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.984 -4.032 -12.716 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.592 -3.342 -13.045 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.286 -4.196 -11.514 1.00 0.00 H new ATOM 274 N PRO A 21 -8.712 -7.137 -13.407 1.00 0.00 N ATOM 275 CA PRO A 21 -7.862 -8.255 -12.986 1.00 0.00 C ATOM 276 C PRO A 21 -6.916 -7.869 -11.854 1.00 0.00 C ATOM 277 O PRO A 21 -6.230 -6.849 -11.925 1.00 0.00 O ATOM 278 CB PRO A 21 -7.071 -8.596 -14.252 1.00 0.00 C ATOM 279 CG PRO A 21 -7.050 -7.330 -15.037 1.00 0.00 C ATOM 280 CD PRO A 21 -8.354 -6.640 -14.747 1.00 0.00 C ATOM 0 HA PRO A 21 -8.447 -9.088 -12.596 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.062 -8.929 -14.011 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.547 -9.401 -14.812 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.205 -6.705 -14.747 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.945 -7.534 -16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.246 -5.555 -14.758 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.115 -6.892 -15.486 1.00 0.00 H new ATOM 288 N VAL A 22 -6.884 -8.692 -10.810 1.00 0.00 N ATOM 289 CA VAL A 22 -6.020 -8.438 -9.663 1.00 0.00 C ATOM 290 C VAL A 22 -4.549 -8.563 -10.044 1.00 0.00 C ATOM 291 O VAL A 22 -4.083 -9.639 -10.421 1.00 0.00 O ATOM 292 CB VAL A 22 -6.324 -9.407 -8.506 1.00 0.00 C ATOM 293 CG1 VAL A 22 -5.357 -9.183 -7.353 1.00 0.00 C ATOM 294 CG2 VAL A 22 -7.765 -9.249 -8.043 1.00 0.00 C ATOM 0 H VAL A 22 -7.446 -9.540 -10.735 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.221 -7.418 -9.335 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.192 -10.427 -8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.588 -9.877 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.336 -9.352 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.453 -8.159 -6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.962 -9.942 -7.225 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.927 -8.227 -7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.439 -9.465 -8.872 1.00 0.00 H new ATOM 304 N THR A 23 -3.820 -7.456 -9.943 1.00 0.00 N ATOM 305 CA THR A 23 -2.402 -7.441 -10.277 1.00 0.00 C ATOM 306 C THR A 23 -1.604 -8.325 -9.325 1.00 0.00 C ATOM 307 O THR A 23 -1.010 -9.322 -9.737 1.00 0.00 O ATOM 308 CB THR A 23 -1.830 -6.012 -10.235 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.647 -5.134 -11.016 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.402 -5.985 -10.760 1.00 0.00 C ATOM 0 H THR A 23 -4.189 -6.557 -9.632 1.00 0.00 H new ATOM 0 HA THR A 23 -2.312 -7.830 -11.291 1.00 0.00 H new ATOM 0 HB THR A 23 -1.826 -5.677 -9.198 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.277 -4.227 -10.983 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.019 -4.965 -10.721 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.224 -6.632 -10.145 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.387 -6.339 -11.791 1.00 0.00 H new ATOM 318 N LYS A 24 -1.593 -7.953 -8.050 1.00 0.00 N ATOM 319 CA LYS A 24 -0.869 -8.712 -7.037 1.00 0.00 C ATOM 320 C LYS A 24 -1.469 -8.484 -5.653 1.00 0.00 C ATOM 321 O LYS A 24 -1.740 -7.349 -5.263 1.00 0.00 O ATOM 322 CB LYS A 24 0.610 -8.318 -7.035 1.00 0.00 C ATOM 323 CG LYS A 24 1.507 -9.325 -6.336 1.00 0.00 C ATOM 324 CD LYS A 24 2.880 -8.742 -6.047 1.00 0.00 C ATOM 325 CE LYS A 24 3.687 -9.646 -5.127 1.00 0.00 C ATOM 326 NZ LYS A 24 4.309 -10.778 -5.868 1.00 0.00 N ATOM 0 H LYS A 24 -2.078 -7.130 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.956 -9.771 -7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.947 -8.198 -8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.718 -7.349 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.042 -9.642 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.612 -10.214 -6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.420 -8.598 -6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.770 -7.759 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.465 -9.062 -4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.039 -10.038 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.019 -11.239 -5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.575 -11.468 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.767 -10.419 -6.730 1.00 0.00 H new ATOM 340 N ALA A 25 -1.673 -9.570 -4.915 1.00 0.00 N ATOM 341 CA ALA A 25 -2.238 -9.488 -3.574 1.00 0.00 C ATOM 342 C ALA A 25 -1.410 -10.295 -2.580 1.00 0.00 C ATOM 343 O ALA A 25 -0.935 -11.386 -2.893 1.00 0.00 O ATOM 344 CB ALA A 25 -3.680 -9.971 -3.578 1.00 0.00 C ATOM 0 H ALA A 25 -1.455 -10.518 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.218 -8.444 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.089 -9.904 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.270 -9.349 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.716 -11.007 -3.916 1.00 0.00 H new ATOM 350 N GLY A 26 -1.241 -9.751 -1.378 1.00 0.00 N ATOM 351 CA GLY A 26 -0.470 -10.435 -0.356 1.00 0.00 C ATOM 352 C GLY A 26 -0.500 -9.710 0.975 1.00 0.00 C ATOM 353 O GLY A 26 -0.665 -8.491 1.022 1.00 0.00 O ATOM 0 H GLY A 26 -1.624 -8.849 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.860 -11.444 -0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.563 -10.533 -0.689 1.00 0.00 H new ATOM 357 N TRP A 27 -0.341 -10.461 2.059 1.00 0.00 N ATOM 358 CA TRP A 27 -0.353 -9.882 3.397 1.00 0.00 C ATOM 359 C TRP A 27 0.925 -9.093 3.660 1.00 0.00 C ATOM 360 O TRP A 27 2.011 -9.666 3.763 1.00 0.00 O ATOM 361 CB TRP A 27 -0.514 -10.981 4.449 1.00 0.00 C ATOM 362 CG TRP A 27 -1.898 -11.553 4.503 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.351 -12.666 3.854 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.010 -11.039 5.245 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.677 -12.874 4.148 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.104 -11.891 5.000 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.186 -9.943 6.094 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.355 -11.678 5.572 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.428 -9.734 6.662 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.500 -10.598 6.400 1.00 0.00 C ATOM 0 H TRP A 27 -0.202 -11.471 2.037 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.200 -9.199 3.463 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.195 -11.782 4.239 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.257 -10.577 5.428 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.755 -13.291 3.205 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.251 -13.637 3.789 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.366 -9.272 6.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.182 -12.342 5.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.575 -8.890 7.319 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.458 -10.408 6.860 1.00 0.00 H new ATOM 381 N LEU A 28 0.790 -7.776 3.769 1.00 0.00 N ATOM 382 CA LEU A 28 1.935 -6.908 4.021 1.00 0.00 C ATOM 383 C LEU A 28 1.773 -6.162 5.342 1.00 0.00 C ATOM 384 O LEU A 28 0.720 -6.225 5.978 1.00 0.00 O ATOM 385 CB LEU A 28 2.104 -5.908 2.876 1.00 0.00 C ATOM 386 CG LEU A 28 2.870 -6.413 1.652 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.718 -5.444 0.490 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.339 -6.617 1.990 1.00 0.00 C ATOM 0 H LEU A 28 -0.101 -7.286 3.687 1.00 0.00 H new ATOM 0 HA LEU A 28 2.826 -7.533 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.114 -5.585 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.616 -5.027 3.262 1.00 0.00 H new ATOM 0 HG LEU A 28 2.449 -7.373 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.270 -5.820 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.663 -5.348 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.112 -4.469 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.869 -6.976 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.773 -5.671 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.430 -7.350 2.791 1.00 0.00 H new ATOM 400 N PHE A 29 2.822 -5.454 5.748 1.00 0.00 N ATOM 401 CA PHE A 29 2.795 -4.695 6.993 1.00 0.00 C ATOM 402 C PHE A 29 2.910 -3.198 6.719 1.00 0.00 C ATOM 403 O PHE A 29 3.934 -2.720 6.231 1.00 0.00 O ATOM 404 CB PHE A 29 3.932 -5.145 7.914 1.00 0.00 C ATOM 405 CG PHE A 29 3.701 -6.491 8.537 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.741 -7.642 7.767 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.443 -6.606 9.894 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.529 -8.883 8.337 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.231 -7.844 10.470 1.00 0.00 C ATOM 410 CZ PHE A 29 3.273 -8.984 9.691 1.00 0.00 C ATOM 0 H PHE A 29 3.700 -5.390 5.234 1.00 0.00 H new ATOM 0 HA PHE A 29 1.841 -4.885 7.485 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.861 -5.172 7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.063 -4.406 8.704 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.940 -7.569 6.708 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.407 -5.718 10.508 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.563 -9.772 7.725 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.033 -7.920 11.529 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.106 -9.952 10.139 1.00 0.00 H new ATOM 420 N LYS A 30 1.850 -2.462 7.037 1.00 0.00 N ATOM 421 CA LYS A 30 1.829 -1.020 6.827 1.00 0.00 C ATOM 422 C LYS A 30 2.135 -0.277 8.124 1.00 0.00 C ATOM 423 O LYS A 30 1.315 -0.246 9.041 1.00 0.00 O ATOM 424 CB LYS A 30 0.466 -0.582 6.287 1.00 0.00 C ATOM 425 CG LYS A 30 0.382 0.903 5.977 1.00 0.00 C ATOM 426 CD LYS A 30 -0.750 1.208 5.010 1.00 0.00 C ATOM 427 CE LYS A 30 -1.201 2.656 5.120 1.00 0.00 C ATOM 428 NZ LYS A 30 -1.824 2.944 6.442 1.00 0.00 N ATOM 0 H LYS A 30 0.994 -2.841 7.441 1.00 0.00 H new ATOM 0 HA LYS A 30 2.599 -0.774 6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.245 -1.147 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.303 -0.836 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.232 1.461 6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.327 1.241 5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.424 1.004 3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.592 0.547 5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.346 3.315 4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.915 2.875 4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.462 3.760 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.365 2.114 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.080 3.159 7.137 1.00 0.00 H new ATOM 442 N GLN A 31 3.320 0.322 8.192 1.00 0.00 N ATOM 443 CA GLN A 31 3.733 1.065 9.376 1.00 0.00 C ATOM 444 C GLN A 31 2.734 2.170 9.701 1.00 0.00 C ATOM 445 O GLN A 31 2.355 2.953 8.831 1.00 0.00 O ATOM 446 CB GLN A 31 5.125 1.665 9.168 1.00 0.00 C ATOM 447 CG GLN A 31 5.916 1.827 10.456 1.00 0.00 C ATOM 448 CD GLN A 31 6.992 2.890 10.350 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.954 3.900 11.054 1.00 0.00 O ATOM 450 NE2 GLN A 31 7.958 2.669 9.467 1.00 0.00 N ATOM 0 H GLN A 31 4.010 0.307 7.441 1.00 0.00 H new ATOM 0 HA GLN A 31 3.766 0.371 10.216 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.687 1.029 8.484 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.024 2.639 8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.234 2.085 11.267 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.376 0.874 10.718 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.950 1.818 8.904 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.708 3.350 9.351 1.00 0.00 H new ATOM 459 N ALA A 32 2.311 2.227 10.960 1.00 0.00 N ATOM 460 CA ALA A 32 1.356 3.237 11.400 1.00 0.00 C ATOM 461 C ALA A 32 2.025 4.601 11.538 1.00 0.00 C ATOM 462 O ALA A 32 3.217 4.692 11.830 1.00 0.00 O ATOM 463 CB ALA A 32 0.721 2.823 12.719 1.00 0.00 C ATOM 0 H ALA A 32 2.615 1.586 11.693 1.00 0.00 H new ATOM 0 HA ALA A 32 0.576 3.319 10.643 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.010 3.586 13.036 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.201 1.874 12.590 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.496 2.712 13.477 1.00 0.00 H new ATOM 536 N GLN A 38 3.799 1.235 15.524 1.00 0.00 N ATOM 537 CA GLN A 38 3.679 -0.204 15.320 1.00 0.00 C ATOM 538 C GLN A 38 3.235 -0.515 13.894 1.00 0.00 C ATOM 539 O GLN A 38 2.769 0.366 13.173 1.00 0.00 O ATOM 540 CB GLN A 38 2.685 -0.800 16.318 1.00 0.00 C ATOM 541 CG GLN A 38 1.243 -0.399 16.055 1.00 0.00 C ATOM 542 CD GLN A 38 0.248 -1.356 16.681 1.00 0.00 C ATOM 543 OE1 GLN A 38 0.627 -2.379 17.251 1.00 0.00 O ATOM 544 NE2 GLN A 38 -1.035 -1.028 16.578 1.00 0.00 N ATOM 0 HA GLN A 38 4.659 -0.653 15.482 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.762 -1.887 16.289 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.962 -0.487 17.325 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.072 0.604 16.446 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.072 -0.356 14.979 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.305 -0.170 16.097 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.750 -1.634 16.980 1.00 0.00 H new ATOM 553 N TRP A 39 3.383 -1.773 13.496 1.00 0.00 N ATOM 554 CA TRP A 39 2.998 -2.201 12.156 1.00 0.00 C ATOM 555 C TRP A 39 1.653 -2.920 12.180 1.00 0.00 C ATOM 556 O TRP A 39 1.415 -3.782 13.024 1.00 0.00 O ATOM 557 CB TRP A 39 4.069 -3.117 11.563 1.00 0.00 C ATOM 558 CG TRP A 39 5.396 -2.443 11.386 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.299 -2.142 12.366 1.00 0.00 C ATOM 560 CD2 TRP A 39 5.968 -1.985 10.156 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.397 -1.524 11.818 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.219 -1.417 10.465 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.545 -2.001 8.824 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.048 -0.870 9.489 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.369 -1.457 7.858 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.610 -0.899 8.193 1.00 0.00 C ATOM 0 H TRP A 39 3.767 -2.515 14.082 1.00 0.00 H new ATOM 0 HA TRP A 39 2.904 -1.313 11.531 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.194 -3.985 12.211 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.726 -3.487 10.597 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.169 -2.358 13.416 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.213 -1.198 12.336 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.591 -2.431 8.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.004 -0.438 9.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.051 -1.462 6.826 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.232 -0.484 7.414 1.00 0.00 H new ATOM 577 N ASN A 40 0.778 -2.559 11.247 1.00 0.00 N ATOM 578 CA ASN A 40 -0.544 -3.170 11.162 1.00 0.00 C ATOM 579 C ASN A 40 -0.644 -4.083 9.944 1.00 0.00 C ATOM 580 O ASN A 40 -0.716 -3.615 8.808 1.00 0.00 O ATOM 581 CB ASN A 40 -1.625 -2.089 11.094 1.00 0.00 C ATOM 582 CG ASN A 40 -1.638 -1.205 12.326 1.00 0.00 C ATOM 583 OD1 ASN A 40 -0.688 -0.280 12.401 1.00 0.00 O flip ATOM 584 ND2 ASN A 40 -2.492 -1.353 13.200 1.00 0.00 N flip ATOM 0 H ASN A 40 0.960 -1.847 10.540 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.697 -3.772 12.058 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.463 -1.473 10.210 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.601 -2.561 10.979 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.203 -2.077 13.100 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.488 -0.751 14.024 1.00 0.00 H new ATOM 591 N LYS A 41 -0.648 -5.389 10.189 1.00 0.00 N ATOM 592 CA LYS A 41 -0.741 -6.369 9.114 1.00 0.00 C ATOM 593 C LYS A 41 -2.145 -6.392 8.519 1.00 0.00 C ATOM 594 O LYS A 41 -3.120 -6.669 9.217 1.00 0.00 O ATOM 595 CB LYS A 41 -0.371 -7.761 9.632 1.00 0.00 C ATOM 596 CG LYS A 41 -0.209 -8.796 8.532 1.00 0.00 C ATOM 597 CD LYS A 41 -0.456 -10.203 9.050 1.00 0.00 C ATOM 598 CE LYS A 41 -0.426 -11.225 7.923 1.00 0.00 C ATOM 599 NZ LYS A 41 -0.405 -12.621 8.441 1.00 0.00 N ATOM 0 H LYS A 41 -0.588 -5.793 11.124 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.039 -6.081 8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.559 -7.694 10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.141 -8.098 10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.904 -8.578 7.721 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.796 -8.732 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.300 -10.456 9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.422 -10.242 9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.299 -11.088 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.453 -11.055 7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.385 -13.287 7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.441 -12.760 9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.257 -12.792 9.013 1.00 0.00 H new ATOM 613 N ARG A 42 -2.239 -6.102 7.225 1.00 0.00 N ATOM 614 CA ARG A 42 -3.524 -6.090 6.537 1.00 0.00 C ATOM 615 C ARG A 42 -3.396 -6.679 5.135 1.00 0.00 C ATOM 616 O ARG A 42 -2.301 -6.740 4.575 1.00 0.00 O ATOM 617 CB ARG A 42 -4.069 -4.663 6.454 1.00 0.00 C ATOM 618 CG ARG A 42 -4.520 -4.104 7.793 1.00 0.00 C ATOM 619 CD ARG A 42 -5.985 -4.411 8.061 1.00 0.00 C ATOM 620 NE ARG A 42 -6.266 -4.533 9.489 1.00 0.00 N ATOM 621 CZ ARG A 42 -6.095 -5.655 10.179 1.00 0.00 C ATOM 622 NH1 ARG A 42 -5.646 -6.747 9.575 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.373 -5.687 11.476 1.00 0.00 N ATOM 0 H ARG A 42 -1.441 -5.872 6.633 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.219 -6.705 7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.299 -4.013 6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.910 -4.644 5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.907 -4.526 8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.365 -3.025 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.605 -3.621 7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.259 -5.338 7.557 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.613 -3.711 9.984 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.431 -6.727 8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.516 -7.607 10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.718 -4.849 11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.241 -6.549 12.005 1.00 0.00 H new ATOM 637 N TRP A 43 -4.520 -7.113 4.576 1.00 0.00 N ATOM 638 CA TRP A 43 -4.532 -7.698 3.240 1.00 0.00 C ATOM 639 C TRP A 43 -4.365 -6.622 2.173 1.00 0.00 C ATOM 640 O TRP A 43 -5.207 -5.735 2.034 1.00 0.00 O ATOM 641 CB TRP A 43 -5.836 -8.464 3.009 1.00 0.00 C ATOM 642 CG TRP A 43 -5.855 -9.229 1.720 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.792 -9.144 0.730 1.00 0.00 C ATOM 644 CD2 TRP A 43 -4.894 -10.196 1.283 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.471 -10.000 -0.295 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.311 -10.656 0.019 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.720 -10.716 1.836 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.596 -11.611 -0.698 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.012 -11.664 1.123 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.451 -12.104 -0.133 1.00 0.00 C ATOM 0 H TRP A 43 -5.434 -7.071 5.027 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.693 -8.390 3.166 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.994 -9.156 3.836 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.669 -7.761 3.018 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.658 -8.499 0.750 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.010 -10.127 -1.152 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.373 -10.383 2.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.933 -11.951 -1.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.104 -12.073 1.541 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.875 -12.846 -0.665 1.00 0.00 H new ATOM 661 N PHE A 44 -3.272 -6.706 1.421 1.00 0.00 N ATOM 662 CA PHE A 44 -2.994 -5.738 0.366 1.00 0.00 C ATOM 663 C PHE A 44 -3.336 -6.315 -1.005 1.00 0.00 C ATOM 664 O PHE A 44 -3.048 -7.476 -1.292 1.00 0.00 O ATOM 665 CB PHE A 44 -1.523 -5.320 0.403 1.00 0.00 C ATOM 666 CG PHE A 44 -1.259 -4.130 1.281 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.744 -4.090 2.579 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.527 -3.053 0.809 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.504 -2.995 3.388 1.00 0.00 C ATOM 670 CE2 PHE A 44 -0.283 -1.957 1.615 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.771 -1.928 2.906 1.00 0.00 C ATOM 0 H PHE A 44 -2.565 -7.434 1.523 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.618 -4.861 0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.924 -6.160 0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.192 -5.094 -0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.315 -4.923 2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.143 -3.070 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.890 -2.974 4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.289 -1.124 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.580 -1.073 3.538 1.00 0.00 H new ATOM 681 N VAL A 45 -3.954 -5.493 -1.848 1.00 0.00 N ATOM 682 CA VAL A 45 -4.336 -5.920 -3.189 1.00 0.00 C ATOM 683 C VAL A 45 -4.077 -4.818 -4.210 1.00 0.00 C ATOM 684 O VAL A 45 -4.497 -3.675 -4.027 1.00 0.00 O ATOM 685 CB VAL A 45 -5.822 -6.321 -3.248 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.202 -6.755 -4.656 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.116 -7.424 -2.243 1.00 0.00 C ATOM 0 H VAL A 45 -4.201 -4.528 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.723 -6.788 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.426 -5.452 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.255 -7.035 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.030 -5.932 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.593 -7.610 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.170 -7.695 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.505 -8.297 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.884 -7.072 -1.238 1.00 0.00 H new ATOM 697 N LEU A 46 -3.384 -5.170 -5.288 1.00 0.00 N ATOM 698 CA LEU A 46 -3.069 -4.211 -6.341 1.00 0.00 C ATOM 699 C LEU A 46 -3.967 -4.422 -7.556 1.00 0.00 C ATOM 700 O LEU A 46 -3.889 -5.451 -8.227 1.00 0.00 O ATOM 701 CB LEU A 46 -1.600 -4.337 -6.750 1.00 0.00 C ATOM 702 CG LEU A 46 -1.072 -3.258 -7.697 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.858 -1.951 -6.950 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.220 -3.715 -8.357 1.00 0.00 C ATOM 0 H LEU A 46 -3.030 -6.112 -5.455 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.246 -3.209 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.990 -4.329 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.457 -5.309 -7.223 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.815 -3.089 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.482 -1.195 -7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.804 -1.616 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.134 -2.104 -6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.582 -2.935 -9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.970 -3.912 -7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.035 -4.626 -8.926 1.00 0.00 H new ATOM 716 N VAL A 47 -4.817 -3.439 -7.834 1.00 0.00 N ATOM 717 CA VAL A 47 -5.728 -3.515 -8.971 1.00 0.00 C ATOM 718 C VAL A 47 -5.858 -2.162 -9.662 1.00 0.00 C ATOM 719 O VAL A 47 -6.057 -1.137 -9.010 1.00 0.00 O ATOM 720 CB VAL A 47 -7.126 -3.995 -8.539 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.156 -3.673 -9.610 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.107 -5.486 -8.237 1.00 0.00 C ATOM 0 H VAL A 47 -4.894 -2.581 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.304 -4.237 -9.669 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.407 -3.466 -7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.138 -4.020 -9.287 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.187 -2.596 -9.773 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.883 -4.172 -10.539 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.103 -5.808 -7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.805 -6.034 -9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.400 -5.685 -7.432 1.00 0.00 H new ATOM 732 N ASP A 48 -5.745 -2.168 -10.986 1.00 0.00 N ATOM 733 CA ASP A 48 -5.852 -0.941 -11.767 1.00 0.00 C ATOM 734 C ASP A 48 -4.730 0.029 -11.411 1.00 0.00 C ATOM 735 O ASP A 48 -4.980 1.188 -11.079 1.00 0.00 O ATOM 736 CB ASP A 48 -7.210 -0.278 -11.532 1.00 0.00 C ATOM 737 CG ASP A 48 -7.661 0.553 -12.717 1.00 0.00 C ATOM 738 OD1 ASP A 48 -7.552 0.063 -13.860 1.00 0.00 O ATOM 739 OD2 ASP A 48 -8.124 1.693 -12.501 1.00 0.00 O ATOM 0 H ASP A 48 -5.579 -3.008 -11.540 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.762 -1.202 -12.821 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.955 -1.046 -11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.153 0.356 -10.648 1.00 0.00 H new ATOM 744 N ARG A 49 -3.493 -0.452 -11.481 1.00 0.00 N ATOM 745 CA ARG A 49 -2.333 0.372 -11.164 1.00 0.00 C ATOM 746 C ARG A 49 -2.548 1.135 -9.861 1.00 0.00 C ATOM 747 O ARG A 49 -2.008 2.226 -9.672 1.00 0.00 O ATOM 748 CB ARG A 49 -2.052 1.354 -12.303 1.00 0.00 C ATOM 749 CG ARG A 49 -1.195 0.769 -13.414 1.00 0.00 C ATOM 750 CD ARG A 49 -0.800 1.830 -14.429 1.00 0.00 C ATOM 751 NE ARG A 49 -1.871 2.097 -15.386 1.00 0.00 N ATOM 752 CZ ARG A 49 -1.682 2.716 -16.546 1.00 0.00 C ATOM 753 NH1 ARG A 49 -0.471 3.130 -16.891 1.00 0.00 N ATOM 754 NH2 ARG A 49 -2.707 2.922 -17.364 1.00 0.00 N ATOM 0 H ARG A 49 -3.268 -1.409 -11.755 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.473 -0.287 -11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.000 1.689 -12.725 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.554 2.235 -11.897 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.298 0.321 -12.986 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.742 -0.030 -13.915 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.541 2.752 -13.908 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.092 1.505 -14.964 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.815 1.791 -15.151 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.319 2.974 -16.265 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.329 3.605 -17.782 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.640 2.605 -17.102 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.561 3.397 -18.255 1.00 0.00 H new ATOM 768 N CYS A 50 -3.341 0.556 -8.966 1.00 0.00 N ATOM 769 CA CYS A 50 -3.629 1.183 -7.681 1.00 0.00 C ATOM 770 C CYS A 50 -3.548 0.164 -6.549 1.00 0.00 C ATOM 771 O CYS A 50 -3.763 -1.031 -6.758 1.00 0.00 O ATOM 772 CB CYS A 50 -5.016 1.828 -7.704 1.00 0.00 C ATOM 773 SG CYS A 50 -5.234 3.153 -6.494 1.00 0.00 S ATOM 0 H CYS A 50 -3.796 -0.346 -9.107 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.880 1.955 -7.505 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.203 2.227 -8.701 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.766 1.058 -7.523 1.00 0.00 H new ATOM 0 HG CYS A 50 -6.200 2.843 -5.681 1.00 0.00 H new ATOM 779 N LEU A 51 -3.234 0.643 -5.350 1.00 0.00 N ATOM 780 CA LEU A 51 -3.122 -0.226 -4.184 1.00 0.00 C ATOM 781 C LEU A 51 -4.391 -0.170 -3.339 1.00 0.00 C ATOM 782 O LEU A 51 -4.955 0.902 -3.118 1.00 0.00 O ATOM 783 CB LEU A 51 -1.914 0.176 -3.338 1.00 0.00 C ATOM 784 CG LEU A 51 -1.272 -0.939 -2.511 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.211 -0.669 -2.310 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.976 -1.082 -1.170 1.00 0.00 C ATOM 0 H LEU A 51 -3.052 1.629 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.987 -1.249 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.155 0.593 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.219 0.974 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.379 -1.876 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.650 -1.473 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.706 -0.619 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.341 0.278 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.506 -1.880 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.901 -0.145 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.026 -1.324 -1.334 1.00 0.00 H new ATOM 798 N PHE A 52 -4.834 -1.331 -2.867 1.00 0.00 N ATOM 799 CA PHE A 52 -6.035 -1.413 -2.045 1.00 0.00 C ATOM 800 C PHE A 52 -5.839 -2.394 -0.892 1.00 0.00 C ATOM 801 O PHE A 52 -5.593 -3.581 -1.108 1.00 0.00 O ATOM 802 CB PHE A 52 -7.233 -1.842 -2.896 1.00 0.00 C ATOM 803 CG PHE A 52 -7.478 -0.949 -4.078 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.707 0.407 -3.904 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.480 -1.464 -5.364 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.933 1.232 -4.990 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.705 -0.645 -6.454 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.933 0.705 -6.266 1.00 0.00 C ATOM 0 H PHE A 52 -4.379 -2.227 -3.040 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.229 -0.424 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.073 -2.861 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.126 -1.857 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.709 0.824 -2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.304 -2.519 -5.517 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.109 2.287 -4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.703 -1.059 -7.451 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.111 1.347 -7.116 1.00 0.00 H new ATOM 818 N TYR A 53 -5.949 -1.889 0.331 1.00 0.00 N ATOM 819 CA TYR A 53 -5.781 -2.719 1.518 1.00 0.00 C ATOM 820 C TYR A 53 -7.122 -2.972 2.200 1.00 0.00 C ATOM 821 O TYR A 53 -7.841 -2.035 2.550 1.00 0.00 O ATOM 822 CB TYR A 53 -4.816 -2.052 2.500 1.00 0.00 C ATOM 823 CG TYR A 53 -5.438 -0.921 3.287 1.00 0.00 C ATOM 824 CD1 TYR A 53 -6.091 -1.163 4.489 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.373 0.389 2.829 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.662 -0.133 5.212 1.00 0.00 C ATOM 827 CE2 TYR A 53 -5.940 1.425 3.546 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.583 1.159 4.736 1.00 0.00 C ATOM 829 OH TYR A 53 -7.150 2.189 5.453 1.00 0.00 O ATOM 0 H TYR A 53 -6.154 -0.909 0.527 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.366 -3.677 1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.441 -2.804 3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.957 -1.670 1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.153 -2.174 4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.871 0.601 1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.167 -0.339 6.144 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.880 2.438 3.176 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.005 3.035 4.981 1.00 0.00 H new ATOM 839 N TYR A 54 -7.453 -4.245 2.385 1.00 0.00 N ATOM 840 CA TYR A 54 -8.708 -4.624 3.023 1.00 0.00 C ATOM 841 C TYR A 54 -8.472 -5.088 4.458 1.00 0.00 C ATOM 842 O TYR A 54 -7.354 -5.443 4.832 1.00 0.00 O ATOM 843 CB TYR A 54 -9.396 -5.732 2.224 1.00 0.00 C ATOM 844 CG TYR A 54 -9.707 -5.345 0.796 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.750 -5.473 -0.203 1.00 0.00 C ATOM 846 CD2 TYR A 54 -10.957 -4.850 0.446 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.028 -5.120 -1.509 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.245 -4.496 -0.858 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.278 -4.633 -1.832 1.00 0.00 C ATOM 850 OH TYR A 54 -10.560 -4.280 -3.131 1.00 0.00 O ATOM 0 H TYR A 54 -6.869 -5.032 2.102 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.354 -3.746 3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.758 -6.616 2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.323 -6.009 2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.771 -5.855 0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.716 -4.740 1.206 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.272 -5.225 -2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.222 -4.114 -1.113 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.483 -3.957 -3.189 1.00 0.00 H new ATOM 860 N LYS A 55 -9.533 -5.082 5.256 1.00 0.00 N ATOM 861 CA LYS A 55 -9.445 -5.503 6.650 1.00 0.00 C ATOM 862 C LYS A 55 -8.932 -6.936 6.754 1.00 0.00 C ATOM 863 O LYS A 55 -8.148 -7.261 7.645 1.00 0.00 O ATOM 864 CB LYS A 55 -10.814 -5.390 7.325 1.00 0.00 C ATOM 865 CG LYS A 55 -11.888 -6.241 6.670 1.00 0.00 C ATOM 866 CD LYS A 55 -13.275 -5.669 6.909 1.00 0.00 C ATOM 867 CE LYS A 55 -14.351 -6.734 6.754 1.00 0.00 C ATOM 868 NZ LYS A 55 -15.717 -6.175 6.956 1.00 0.00 N ATOM 0 H LYS A 55 -10.465 -4.790 4.962 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.740 -4.845 7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.719 -5.682 8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.131 -4.347 7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.700 -6.305 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.839 -7.256 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.326 -5.242 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.461 -4.857 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.283 -7.177 5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.176 -7.535 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.421 -6.935 6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.785 -5.759 7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.900 -5.440 6.243 1.00 0.00 H new ATOM 882 N ASP A 56 -9.378 -7.787 5.837 1.00 0.00 N ATOM 883 CA ASP A 56 -8.962 -9.184 5.824 1.00 0.00 C ATOM 884 C ASP A 56 -8.970 -9.741 4.403 1.00 0.00 C ATOM 885 O ASP A 56 -9.322 -9.041 3.455 1.00 0.00 O ATOM 886 CB ASP A 56 -9.879 -10.020 6.718 1.00 0.00 C ATOM 887 CG ASP A 56 -9.578 -9.833 8.192 1.00 0.00 C ATOM 888 OD1 ASP A 56 -8.471 -10.214 8.625 1.00 0.00 O ATOM 889 OD2 ASP A 56 -10.450 -9.303 8.912 1.00 0.00 O ATOM 0 H ASP A 56 -10.028 -7.534 5.093 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.944 -9.238 6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.917 -9.748 6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.772 -11.073 6.459 1.00 0.00 H new ATOM 894 N GLU A 57 -8.579 -11.004 4.266 1.00 0.00 N ATOM 895 CA GLU A 57 -8.540 -11.653 2.961 1.00 0.00 C ATOM 896 C GLU A 57 -9.930 -11.699 2.334 1.00 0.00 C ATOM 897 O GLU A 57 -10.079 -11.967 1.142 1.00 0.00 O ATOM 898 CB GLU A 57 -7.978 -13.071 3.088 1.00 0.00 C ATOM 899 CG GLU A 57 -8.796 -13.970 3.999 1.00 0.00 C ATOM 900 CD GLU A 57 -8.596 -15.443 3.699 1.00 0.00 C ATOM 901 OE1 GLU A 57 -8.534 -15.800 2.503 1.00 0.00 O ATOM 902 OE2 GLU A 57 -8.501 -16.237 4.657 1.00 0.00 O ATOM 0 H GLU A 57 -8.285 -11.597 5.042 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.887 -11.068 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.926 -13.522 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.957 -13.016 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.524 -13.774 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.852 -13.722 3.895 1.00 0.00 H new ATOM 909 N LYS A 58 -10.948 -11.437 3.148 1.00 0.00 N ATOM 910 CA LYS A 58 -12.328 -11.448 2.676 1.00 0.00 C ATOM 911 C LYS A 58 -12.563 -10.336 1.658 1.00 0.00 C ATOM 912 O LYS A 58 -13.402 -10.466 0.768 1.00 0.00 O ATOM 913 CB LYS A 58 -13.292 -11.289 3.853 1.00 0.00 C ATOM 914 CG LYS A 58 -13.511 -12.571 4.638 1.00 0.00 C ATOM 915 CD LYS A 58 -14.898 -12.618 5.255 1.00 0.00 C ATOM 916 CE LYS A 58 -14.914 -13.450 6.528 1.00 0.00 C ATOM 917 NZ LYS A 58 -15.121 -14.897 6.242 1.00 0.00 N ATOM 0 H LYS A 58 -10.843 -11.214 4.138 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.513 -12.406 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.907 -10.522 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.252 -10.933 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.376 -13.429 3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.760 -12.650 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.233 -11.605 5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.603 -13.037 4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.973 -13.316 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.707 -13.093 7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.126 -15.430 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.031 -15.028 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.351 -15.245 5.635 1.00 0.00 H new ATOM 931 N GLU A 59 -11.816 -9.245 1.797 1.00 0.00 N ATOM 932 CA GLU A 59 -11.945 -8.112 0.888 1.00 0.00 C ATOM 933 C GLU A 59 -13.398 -7.659 0.786 1.00 0.00 C ATOM 934 O GLU A 59 -13.912 -7.434 -0.309 1.00 0.00 O ATOM 935 CB GLU A 59 -11.414 -8.479 -0.499 1.00 0.00 C ATOM 936 CG GLU A 59 -9.910 -8.687 -0.540 1.00 0.00 C ATOM 937 CD GLU A 59 -9.458 -9.434 -1.780 1.00 0.00 C ATOM 938 OE1 GLU A 59 -9.405 -10.681 -1.734 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.157 -8.773 -2.795 1.00 0.00 O ATOM 0 H GLU A 59 -11.116 -9.122 2.529 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.354 -7.289 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.907 -9.390 -0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.682 -7.690 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.412 -7.718 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.599 -9.240 0.346 1.00 0.00 H new ATOM 946 N GLU A 60 -14.054 -7.528 1.935 1.00 0.00 N ATOM 947 CA GLU A 60 -15.448 -7.104 1.974 1.00 0.00 C ATOM 948 C GLU A 60 -15.606 -5.701 1.394 1.00 0.00 C ATOM 949 O GLU A 60 -16.408 -5.480 0.487 1.00 0.00 O ATOM 950 CB GLU A 60 -15.974 -7.136 3.411 1.00 0.00 C ATOM 951 CG GLU A 60 -16.257 -8.538 3.924 1.00 0.00 C ATOM 952 CD GLU A 60 -17.375 -8.570 4.948 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.503 -8.155 4.609 1.00 0.00 O ATOM 954 OE2 GLU A 60 -17.121 -9.011 6.089 1.00 0.00 O ATOM 0 H GLU A 60 -13.642 -7.709 2.850 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.029 -7.797 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.246 -6.658 4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.889 -6.546 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.520 -9.182 3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.350 -8.948 4.369 1.00 0.00 H new ATOM 961 N SER A 61 -14.836 -4.757 1.926 1.00 0.00 N ATOM 962 CA SER A 61 -14.893 -3.375 1.466 1.00 0.00 C ATOM 963 C SER A 61 -13.543 -2.688 1.641 1.00 0.00 C ATOM 964 O SER A 61 -12.879 -2.852 2.665 1.00 0.00 O ATOM 965 CB SER A 61 -15.973 -2.605 2.229 1.00 0.00 C ATOM 966 OG SER A 61 -16.413 -1.477 1.491 1.00 0.00 O ATOM 0 H SER A 61 -14.165 -4.924 2.676 1.00 0.00 H new ATOM 0 HA SER A 61 -15.143 -3.381 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.818 -3.263 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.581 -2.282 3.194 1.00 0.00 H new ATOM 0 HG SER A 61 -17.104 -1.003 1.999 1.00 0.00 H new ATOM 972 N ILE A 62 -13.142 -1.918 0.634 1.00 0.00 N ATOM 973 CA ILE A 62 -11.872 -1.205 0.677 1.00 0.00 C ATOM 974 C ILE A 62 -11.869 -0.152 1.780 1.00 0.00 C ATOM 975 O ILE A 62 -12.641 0.807 1.740 1.00 0.00 O ATOM 976 CB ILE A 62 -11.564 -0.523 -0.669 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.522 -1.560 -1.793 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.246 0.233 -0.590 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.538 -0.951 -3.178 1.00 0.00 C ATOM 0 H ILE A 62 -13.679 -1.773 -0.221 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.101 -1.947 0.885 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.358 0.191 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.624 -2.168 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.375 -2.231 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.042 0.710 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.309 0.994 0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.441 -0.463 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.506 -1.744 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.449 -0.367 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.670 -0.303 -3.300 1.00 0.00 H new ATOM 991 N LEU A 63 -10.995 -0.335 2.763 1.00 0.00 N ATOM 992 CA LEU A 63 -10.889 0.600 3.877 1.00 0.00 C ATOM 993 C LEU A 63 -10.225 1.900 3.436 1.00 0.00 C ATOM 994 O LEU A 63 -10.628 2.987 3.850 1.00 0.00 O ATOM 995 CB LEU A 63 -10.094 -0.029 5.023 1.00 0.00 C ATOM 996 CG LEU A 63 -10.635 -1.351 5.569 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.757 -1.859 6.702 1.00 0.00 C ATOM 998 CD2 LEU A 63 -12.073 -1.185 6.039 1.00 0.00 C ATOM 0 H LEU A 63 -10.349 -1.123 2.811 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.897 0.828 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.071 -0.191 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.048 0.688 5.843 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.619 -2.088 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.157 -2.800 7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.743 -2.017 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.740 -1.124 7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.442 -2.136 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.114 -0.433 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.695 -0.867 5.202 1.00 0.00 H new ATOM 1010 N GLY A 64 -9.206 1.781 2.590 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.504 2.955 2.105 1.00 0.00 C ATOM 1012 C GLY A 64 -7.723 2.679 0.835 1.00 0.00 C ATOM 1013 O GLY A 64 -7.151 1.602 0.672 1.00 0.00 O ATOM 0 H GLY A 64 -8.854 0.893 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.222 3.754 1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.822 3.312 2.877 1.00 0.00 H new ATOM 1017 N SER A 65 -7.701 3.655 -0.068 1.00 0.00 N ATOM 1018 CA SER A 65 -6.990 3.510 -1.332 1.00 0.00 C ATOM 1019 C SER A 65 -5.822 4.488 -1.413 1.00 0.00 C ATOM 1020 O SER A 65 -5.853 5.561 -0.809 1.00 0.00 O ATOM 1021 CB SER A 65 -7.943 3.737 -2.507 1.00 0.00 C ATOM 1022 OG SER A 65 -7.234 4.126 -3.671 1.00 0.00 O ATOM 0 H SER A 65 -8.167 4.554 0.053 1.00 0.00 H new ATOM 0 HA SER A 65 -6.596 2.495 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.503 2.823 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.670 4.506 -2.246 1.00 0.00 H new ATOM 0 HG SER A 65 -7.865 4.263 -4.408 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.793 4.110 -2.164 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.615 4.954 -2.326 1.00 0.00 C ATOM 1030 C ILE A 66 -3.025 4.812 -3.725 1.00 0.00 C ATOM 1031 O ILE A 66 -2.573 3.740 -4.129 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.531 4.612 -1.287 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -3.075 4.800 0.131 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.297 5.475 -1.505 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.213 4.165 1.199 1.00 0.00 C ATOM 0 H ILE A 66 -4.751 3.225 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.941 5.983 -2.174 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.247 3.567 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.168 5.866 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.078 4.376 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.540 5.221 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.900 5.296 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.566 6.526 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.660 4.338 2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.140 3.093 1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.216 4.606 1.172 1.00 0.00 H new ATOM 1047 N PRO A 67 -3.027 5.918 -4.483 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.493 5.944 -5.848 1.00 0.00 C ATOM 1049 C PRO A 67 -0.974 5.806 -5.879 1.00 0.00 C ATOM 1050 O PRO A 67 -0.257 6.597 -5.265 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.916 7.319 -6.369 1.00 0.00 C ATOM 1052 CG PRO A 67 -3.067 8.157 -5.147 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.550 7.230 -4.066 1.00 0.00 C ATOM 0 HA PRO A 67 -2.866 5.113 -6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.167 7.734 -7.044 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.851 7.261 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.119 8.618 -4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.778 8.966 -5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.170 7.522 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.638 7.225 -3.997 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.491 4.800 -6.598 1.00 0.00 N ATOM 1062 CA LEU A 68 0.944 4.559 -6.710 1.00 0.00 C ATOM 1063 C LEU A 68 1.504 5.189 -7.981 1.00 0.00 C ATOM 1064 O LEU A 68 2.696 5.488 -8.066 1.00 0.00 O ATOM 1065 CB LEU A 68 1.231 3.057 -6.702 1.00 0.00 C ATOM 1066 CG LEU A 68 0.936 2.324 -5.393 1.00 0.00 C ATOM 1067 CD1 LEU A 68 0.903 0.820 -5.618 1.00 0.00 C ATOM 1068 CD2 LEU A 68 1.969 2.684 -4.335 1.00 0.00 C ATOM 0 H LEU A 68 -1.071 4.137 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 68 1.433 5.020 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.646 2.592 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.282 2.907 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.045 2.639 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.692 0.316 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.125 0.577 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.869 0.488 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.743 2.153 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.962 2.399 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.943 3.758 -4.152 1.00 0.00 H new ATOM 1080 N LEU A 69 0.637 5.389 -8.968 1.00 0.00 N ATOM 1081 CA LEU A 69 1.044 5.986 -10.235 1.00 0.00 C ATOM 1082 C LEU A 69 1.753 7.317 -10.007 1.00 0.00 C ATOM 1083 O LEU A 69 2.404 7.847 -10.907 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.173 6.191 -11.139 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.047 7.290 -12.194 1.00 0.00 C ATOM 1086 CD1 LEU A 69 1.009 6.922 -13.226 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.389 7.540 -12.867 1.00 0.00 C ATOM 0 H LEU A 69 -0.352 5.146 -8.915 1.00 0.00 H new ATOM 0 HA LEU A 69 1.740 5.304 -10.723 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.386 5.250 -11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.034 6.416 -10.510 1.00 0.00 H new ATOM 0 HG LEU A 69 0.265 8.209 -11.698 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.084 7.716 -13.969 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.972 6.795 -12.732 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.728 5.991 -13.718 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.280 8.325 -13.615 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.730 6.624 -13.349 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.119 7.850 -12.119 1.00 0.00 H new ATOM 1099 N SER A 70 1.623 7.851 -8.797 1.00 0.00 N ATOM 1100 CA SER A 70 2.250 9.121 -8.451 1.00 0.00 C ATOM 1101 C SER A 70 3.484 8.899 -7.581 1.00 0.00 C ATOM 1102 O SER A 70 4.404 9.717 -7.569 1.00 0.00 O ATOM 1103 CB SER A 70 1.254 10.024 -7.721 1.00 0.00 C ATOM 1104 OG SER A 70 0.437 10.729 -8.639 1.00 0.00 O ATOM 0 H SER A 70 1.089 7.424 -8.040 1.00 0.00 H new ATOM 0 HA SER A 70 2.561 9.608 -9.375 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.629 9.422 -7.061 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.794 10.732 -7.092 1.00 0.00 H new ATOM 0 HG SER A 70 -0.192 11.298 -8.147 1.00 0.00 H new ATOM 1110 N PHE A 71 3.496 7.786 -6.855 1.00 0.00 N ATOM 1111 CA PHE A 71 4.615 7.455 -5.981 1.00 0.00 C ATOM 1112 C PHE A 71 5.707 6.718 -6.752 1.00 0.00 C ATOM 1113 O PHE A 71 5.499 6.289 -7.887 1.00 0.00 O ATOM 1114 CB PHE A 71 4.137 6.599 -4.807 1.00 0.00 C ATOM 1115 CG PHE A 71 3.383 7.377 -3.766 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.156 7.947 -4.063 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.902 7.537 -2.491 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.460 8.663 -3.107 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.210 8.252 -1.531 1.00 0.00 C ATOM 1120 CZ PHE A 71 1.988 8.815 -1.840 1.00 0.00 C ATOM 0 H PHE A 71 2.743 7.098 -6.855 1.00 0.00 H new ATOM 0 HA PHE A 71 5.031 8.386 -5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.499 5.801 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.999 6.123 -4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.739 7.831 -5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.858 7.098 -2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.504 9.103 -3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.625 8.370 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.445 9.374 -1.092 1.00 0.00 H new ATOM 1130 N ARG A 72 6.871 6.575 -6.126 1.00 0.00 N ATOM 1131 CA ARG A 72 7.996 5.892 -6.752 1.00 0.00 C ATOM 1132 C ARG A 72 8.584 4.841 -5.814 1.00 0.00 C ATOM 1133 O ARG A 72 9.692 5.001 -5.302 1.00 0.00 O ATOM 1134 CB ARG A 72 9.077 6.900 -7.147 1.00 0.00 C ATOM 1135 CG ARG A 72 9.364 7.937 -6.074 1.00 0.00 C ATOM 1136 CD ARG A 72 10.610 8.745 -6.399 1.00 0.00 C ATOM 1137 NE ARG A 72 10.628 10.028 -5.702 1.00 0.00 N ATOM 1138 CZ ARG A 72 11.457 11.020 -6.010 1.00 0.00 C ATOM 1139 NH1 ARG A 72 12.329 10.877 -6.998 1.00 0.00 N ATOM 1140 NH2 ARG A 72 11.412 12.158 -5.329 1.00 0.00 N ATOM 0 H ARG A 72 7.059 6.923 -5.186 1.00 0.00 H new ATOM 0 HA ARG A 72 7.631 5.391 -7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.997 6.362 -7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.770 7.410 -8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.510 8.607 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.492 7.441 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.496 8.171 -6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.661 8.916 -7.474 1.00 0.00 H new ATOM 0 HE ARG A 72 9.968 10.171 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.365 10.004 -7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.964 11.640 -7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.741 12.271 -4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.048 12.919 -5.565 1.00 0.00 H new ATOM 1154 N VAL A 73 7.834 3.766 -5.594 1.00 0.00 N ATOM 1155 CA VAL A 73 8.281 2.688 -4.719 1.00 0.00 C ATOM 1156 C VAL A 73 9.782 2.460 -4.851 1.00 0.00 C ATOM 1157 O VAL A 73 10.362 2.674 -5.915 1.00 0.00 O ATOM 1158 CB VAL A 73 7.543 1.372 -5.028 1.00 0.00 C ATOM 1159 CG1 VAL A 73 8.047 0.254 -4.128 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.041 1.555 -4.876 1.00 0.00 C ATOM 0 H VAL A 73 6.914 3.618 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 73 8.052 2.993 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 73 7.748 1.094 -6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.514 -0.668 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.115 0.108 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.874 0.520 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.536 0.615 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.813 1.857 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.696 2.324 -5.567 1.00 0.00 H new ATOM 1170 N ALA A 74 10.407 2.024 -3.762 1.00 0.00 N ATOM 1171 CA ALA A 74 11.841 1.764 -3.756 1.00 0.00 C ATOM 1172 C ALA A 74 12.284 1.159 -2.428 1.00 0.00 C ATOM 1173 O ALA A 74 12.004 1.706 -1.362 1.00 0.00 O ATOM 1174 CB ALA A 74 12.611 3.046 -4.037 1.00 0.00 C ATOM 0 H ALA A 74 9.942 1.843 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 74 12.058 1.043 -4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.681 2.837 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.324 3.436 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.380 3.785 -3.269 1.00 0.00 H new ATOM 1180 N ALA A 75 12.977 0.027 -2.501 1.00 0.00 N ATOM 1181 CA ALA A 75 13.459 -0.651 -1.304 1.00 0.00 C ATOM 1182 C ALA A 75 14.086 0.338 -0.327 1.00 0.00 C ATOM 1183 O ALA A 75 14.696 1.327 -0.735 1.00 0.00 O ATOM 1184 CB ALA A 75 14.462 -1.733 -1.679 1.00 0.00 C ATOM 0 H ALA A 75 13.217 -0.439 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 75 12.605 -1.116 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.814 -2.232 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.983 -2.462 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.308 -1.281 -2.197 1.00 0.00 H new ATOM 1190 N VAL A 76 13.931 0.066 0.965 1.00 0.00 N ATOM 1191 CA VAL A 76 14.482 0.932 2.000 1.00 0.00 C ATOM 1192 C VAL A 76 15.991 1.080 1.846 1.00 0.00 C ATOM 1193 O VAL A 76 16.623 0.342 1.092 1.00 0.00 O ATOM 1194 CB VAL A 76 14.171 0.391 3.408 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.700 0.588 3.743 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.558 -1.076 3.513 1.00 0.00 C ATOM 0 H VAL A 76 13.428 -0.748 1.320 1.00 0.00 H new ATOM 0 HA VAL A 76 14.010 1.907 1.881 1.00 0.00 H new ATOM 0 HB VAL A 76 14.762 0.952 4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.499 0.200 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.459 1.651 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.087 0.055 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.331 -1.441 4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.995 -1.654 2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.625 -1.185 3.320 1.00 0.00 H new ATOM 1206 N GLN A 77 16.562 2.040 2.568 1.00 0.00 N ATOM 1207 CA GLN A 77 17.998 2.285 2.511 1.00 0.00 C ATOM 1208 C GLN A 77 18.700 1.695 3.730 1.00 0.00 C ATOM 1209 O GLN A 77 18.092 1.466 4.776 1.00 0.00 O ATOM 1210 CB GLN A 77 18.278 3.787 2.425 1.00 0.00 C ATOM 1211 CG GLN A 77 18.127 4.354 1.022 1.00 0.00 C ATOM 1212 CD GLN A 77 18.632 5.779 0.912 1.00 0.00 C ATOM 1213 OE1 GLN A 77 18.333 6.623 1.758 1.00 0.00 O ATOM 1214 NE2 GLN A 77 19.402 6.056 -0.134 1.00 0.00 N ATOM 0 H GLN A 77 16.052 2.660 3.198 1.00 0.00 H new ATOM 0 HA GLN A 77 18.388 1.798 1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.599 4.314 3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.291 3.980 2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.672 3.724 0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.077 4.321 0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 77 19.625 5.326 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.771 6.999 -0.260 1.00 0.00 H new ATOM 1223 N PRO A 78 20.010 1.441 3.594 1.00 0.00 N ATOM 1224 CA PRO A 78 20.823 0.874 4.674 1.00 0.00 C ATOM 1225 C PRO A 78 21.032 1.858 5.820 1.00 0.00 C ATOM 1226 O PRO A 78 21.733 1.559 6.787 1.00 0.00 O ATOM 1227 CB PRO A 78 22.155 0.560 3.988 1.00 0.00 C ATOM 1228 CG PRO A 78 22.218 1.501 2.835 1.00 0.00 C ATOM 1229 CD PRO A 78 20.799 1.689 2.375 1.00 0.00 C ATOM 0 HA PRO A 78 20.348 0.005 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.995 0.709 4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.194 -0.477 3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.661 2.452 3.131 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.837 1.096 2.034 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.632 2.693 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.539 0.991 1.579 1.00 0.00 H new ATOM 1237 N SER A 79 20.419 3.032 5.705 1.00 0.00 N ATOM 1238 CA SER A 79 20.542 4.061 6.730 1.00 0.00 C ATOM 1239 C SER A 79 19.167 4.543 7.183 1.00 0.00 C ATOM 1240 O SER A 79 19.018 5.667 7.663 1.00 0.00 O ATOM 1241 CB SER A 79 21.360 5.242 6.203 1.00 0.00 C ATOM 1242 OG SER A 79 22.742 5.057 6.455 1.00 0.00 O ATOM 0 H SER A 79 19.833 3.294 4.913 1.00 0.00 H new ATOM 0 HA SER A 79 21.057 3.625 7.587 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.194 5.354 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.021 6.164 6.676 1.00 0.00 H new ATOM 0 HG SER A 79 23.243 5.824 6.107 1.00 0.00 H new ATOM 1248 N ASP A 80 18.165 3.685 7.027 1.00 0.00 N ATOM 1249 CA ASP A 80 16.802 4.021 7.420 1.00 0.00 C ATOM 1250 C ASP A 80 16.478 3.450 8.798 1.00 0.00 C ATOM 1251 O ASP A 80 17.152 2.540 9.278 1.00 0.00 O ATOM 1252 CB ASP A 80 15.805 3.491 6.388 1.00 0.00 C ATOM 1253 CG ASP A 80 15.827 4.291 5.100 1.00 0.00 C ATOM 1254 OD1 ASP A 80 16.722 5.147 4.949 1.00 0.00 O ATOM 1255 OD2 ASP A 80 14.947 4.061 4.244 1.00 0.00 O ATOM 0 H ASP A 80 18.271 2.751 6.631 1.00 0.00 H new ATOM 0 HA ASP A 80 16.721 5.107 7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 80 16.033 2.448 6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.801 3.516 6.811 1.00 0.00 H new ATOM 1260 N ASN A 81 15.441 3.993 9.428 1.00 0.00 N ATOM 1261 CA ASN A 81 15.028 3.539 10.751 1.00 0.00 C ATOM 1262 C ASN A 81 14.078 2.350 10.646 1.00 0.00 C ATOM 1263 O ASN A 81 13.114 2.244 11.406 1.00 0.00 O ATOM 1264 CB ASN A 81 14.353 4.679 11.517 1.00 0.00 C ATOM 1265 CG ASN A 81 13.402 5.477 10.646 1.00 0.00 C ATOM 1266 OD1 ASN A 81 13.827 6.303 9.838 1.00 0.00 O ATOM 1267 ND2 ASN A 81 12.107 5.232 10.807 1.00 0.00 N ATOM 0 H ASN A 81 14.872 4.747 9.044 1.00 0.00 H new ATOM 0 HA ASN A 81 15.919 3.223 11.294 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.806 4.269 12.366 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.116 5.344 11.921 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.419 5.737 10.249 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.800 4.538 11.489 1.00 0.00 H new ATOM 1274 N ILE A 82 14.357 1.458 9.702 1.00 0.00 N ATOM 1275 CA ILE A 82 13.528 0.276 9.499 1.00 0.00 C ATOM 1276 C ILE A 82 14.283 -0.995 9.872 1.00 0.00 C ATOM 1277 O ILE A 82 14.874 -1.653 9.015 1.00 0.00 O ATOM 1278 CB ILE A 82 13.051 0.167 8.039 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.151 1.352 7.683 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.317 -1.147 7.818 1.00 0.00 C ATOM 1281 CD1 ILE A 82 10.961 1.505 8.605 1.00 0.00 C ATOM 0 H ILE A 82 15.151 1.531 9.065 1.00 0.00 H new ATOM 0 HA ILE A 82 12.660 0.384 10.149 1.00 0.00 H new ATOM 0 HB ILE A 82 13.923 0.188 7.385 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.742 2.268 7.710 1.00 0.00 H new ATOM 0 HG13 ILE A 82 11.795 1.233 6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.986 -1.209 6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.987 -1.979 8.036 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.451 -1.196 8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.367 2.364 8.293 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.348 0.605 8.560 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.309 1.656 9.627 1.00 0.00 H new ATOM 1293 N SER A 83 14.259 -1.336 11.156 1.00 0.00 N ATOM 1294 CA SER A 83 14.943 -2.528 11.644 1.00 0.00 C ATOM 1295 C SER A 83 14.582 -3.745 10.798 1.00 0.00 C ATOM 1296 O SER A 83 15.449 -4.536 10.427 1.00 0.00 O ATOM 1297 CB SER A 83 14.583 -2.785 13.109 1.00 0.00 C ATOM 1298 OG SER A 83 15.095 -4.031 13.548 1.00 0.00 O ATOM 0 H SER A 83 13.773 -0.804 11.878 1.00 0.00 H new ATOM 0 HA SER A 83 16.017 -2.359 11.566 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.983 -1.984 13.731 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.500 -2.771 13.229 1.00 0.00 H new ATOM 0 HG SER A 83 14.853 -4.171 14.487 1.00 0.00 H new ATOM 1304 N ARG A 84 13.295 -3.889 10.499 1.00 0.00 N ATOM 1305 CA ARG A 84 12.818 -5.011 9.698 1.00 0.00 C ATOM 1306 C ARG A 84 13.629 -5.146 8.413 1.00 0.00 C ATOM 1307 O ARG A 84 14.204 -4.173 7.923 1.00 0.00 O ATOM 1308 CB ARG A 84 11.336 -4.831 9.362 1.00 0.00 C ATOM 1309 CG ARG A 84 10.429 -4.841 10.581 1.00 0.00 C ATOM 1310 CD ARG A 84 9.110 -4.140 10.300 1.00 0.00 C ATOM 1311 NE ARG A 84 8.065 -4.543 11.238 1.00 0.00 N ATOM 1312 CZ ARG A 84 7.557 -5.769 11.289 1.00 0.00 C ATOM 1313 NH1 ARG A 84 7.995 -6.707 10.461 1.00 0.00 N ATOM 1314 NH2 ARG A 84 6.608 -6.059 12.171 1.00 0.00 N ATOM 0 H ARG A 84 12.564 -3.244 10.799 1.00 0.00 H new ATOM 0 HA ARG A 84 12.943 -5.922 10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.205 -3.889 8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.027 -5.626 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.238 -5.870 10.885 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.932 -4.351 11.414 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.253 -3.061 10.359 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.790 -4.364 9.282 1.00 0.00 H new ATOM 0 HE ARG A 84 7.706 -3.845 11.889 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.724 -6.488 9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.603 -7.648 10.503 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.269 -5.340 12.810 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.218 -7.001 12.210 1.00 0.00 H new ATOM 1328 N LYS A 85 13.673 -6.358 7.871 1.00 0.00 N ATOM 1329 CA LYS A 85 14.413 -6.622 6.643 1.00 0.00 C ATOM 1330 C LYS A 85 13.465 -6.758 5.456 1.00 0.00 C ATOM 1331 O LYS A 85 12.260 -6.945 5.628 1.00 0.00 O ATOM 1332 CB LYS A 85 15.249 -7.895 6.791 1.00 0.00 C ATOM 1333 CG LYS A 85 14.649 -8.909 7.749 1.00 0.00 C ATOM 1334 CD LYS A 85 15.289 -10.278 7.585 1.00 0.00 C ATOM 1335 CE LYS A 85 16.491 -10.445 8.501 1.00 0.00 C ATOM 1336 NZ LYS A 85 17.007 -11.842 8.490 1.00 0.00 N ATOM 0 H LYS A 85 13.204 -7.174 8.264 1.00 0.00 H new ATOM 0 HA LYS A 85 15.078 -5.778 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.366 -8.358 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.247 -7.626 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.782 -8.565 8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.576 -8.985 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.554 -11.053 7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.598 -10.414 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.282 -9.763 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.214 -10.168 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.826 -11.915 9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.260 -12.490 8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.296 -12.098 7.524 1.00 0.00 H new ATOM 1350 N HIS A 86 14.017 -6.665 4.250 1.00 0.00 N ATOM 1351 CA HIS A 86 13.221 -6.781 3.034 1.00 0.00 C ATOM 1352 C HIS A 86 12.037 -5.819 3.066 1.00 0.00 C ATOM 1353 O HIS A 86 10.894 -6.216 2.837 1.00 0.00 O ATOM 1354 CB HIS A 86 12.722 -8.216 2.859 1.00 0.00 C ATOM 1355 CG HIS A 86 13.654 -9.246 3.419 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.945 -9.418 2.966 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.477 -10.159 4.403 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.521 -10.394 3.646 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.651 -10.860 4.524 1.00 0.00 N ATOM 0 H HIS A 86 15.012 -6.510 4.089 1.00 0.00 H new ATOM 0 HA HIS A 86 13.857 -6.520 2.188 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.750 -8.316 3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.571 -8.413 1.798 1.00 0.00 H new ATOM 0 HD1 HIS A 86 15.386 -8.877 2.223 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.579 -10.308 4.985 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.531 -10.750 3.507 1.00 0.00 H new ATOM 1368 N THR A 87 12.318 -4.552 3.353 1.00 0.00 N ATOM 1369 CA THR A 87 11.277 -3.534 3.418 1.00 0.00 C ATOM 1370 C THR A 87 11.462 -2.487 2.326 1.00 0.00 C ATOM 1371 O THR A 87 12.586 -2.195 1.916 1.00 0.00 O ATOM 1372 CB THR A 87 11.262 -2.831 4.789 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.884 -3.760 5.811 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.297 -1.655 4.784 1.00 0.00 C ATOM 0 H THR A 87 13.258 -4.206 3.544 1.00 0.00 H new ATOM 0 HA THR A 87 10.326 -4.046 3.270 1.00 0.00 H new ATOM 0 HB THR A 87 12.265 -2.456 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.878 -3.306 6.680 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.304 -1.175 5.762 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.604 -0.936 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.291 -2.011 4.561 1.00 0.00 H new ATOM 1382 N PHE A 88 10.353 -1.924 1.857 1.00 0.00 N ATOM 1383 CA PHE A 88 10.394 -0.909 0.811 1.00 0.00 C ATOM 1384 C PHE A 88 9.389 0.204 1.094 1.00 0.00 C ATOM 1385 O PHE A 88 8.264 -0.053 1.522 1.00 0.00 O ATOM 1386 CB PHE A 88 10.104 -1.539 -0.553 1.00 0.00 C ATOM 1387 CG PHE A 88 8.840 -2.350 -0.581 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.712 -3.487 0.200 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.779 -1.974 -1.389 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.550 -4.235 0.174 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.614 -2.717 -1.418 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.499 -3.849 -0.635 1.00 0.00 C ATOM 0 H PHE A 88 9.415 -2.154 2.185 1.00 0.00 H new ATOM 0 HA PHE A 88 11.395 -0.477 0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.037 -0.750 -1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.942 -2.176 -0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.529 -3.792 0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.863 -1.090 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.464 -5.121 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.794 -2.413 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.589 -4.431 -0.655 1.00 0.00 H new ATOM 1402 N LYS A 89 9.804 1.443 0.851 1.00 0.00 N ATOM 1403 CA LYS A 89 8.942 2.597 1.078 1.00 0.00 C ATOM 1404 C LYS A 89 8.702 3.360 -0.221 1.00 0.00 C ATOM 1405 O LYS A 89 9.573 3.419 -1.087 1.00 0.00 O ATOM 1406 CB LYS A 89 9.565 3.528 2.120 1.00 0.00 C ATOM 1407 CG LYS A 89 10.709 4.368 1.579 1.00 0.00 C ATOM 1408 CD LYS A 89 12.045 3.665 1.746 1.00 0.00 C ATOM 1409 CE LYS A 89 13.088 4.214 0.784 1.00 0.00 C ATOM 1410 NZ LYS A 89 13.546 5.575 1.179 1.00 0.00 N ATOM 0 H LYS A 89 10.732 1.674 0.497 1.00 0.00 H new ATOM 0 HA LYS A 89 7.983 2.235 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.793 4.190 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.928 2.932 2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.538 4.580 0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.734 5.327 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.395 3.785 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.919 2.596 1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.943 3.539 0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.671 4.249 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.256 5.913 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.735 6.226 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.967 5.537 2.129 1.00 0.00 H new ATOM 1424 N ALA A 90 7.514 3.942 -0.348 1.00 0.00 N ATOM 1425 CA ALA A 90 7.160 4.704 -1.540 1.00 0.00 C ATOM 1426 C ALA A 90 7.075 6.195 -1.232 1.00 0.00 C ATOM 1427 O ALA A 90 6.286 6.620 -0.389 1.00 0.00 O ATOM 1428 CB ALA A 90 5.843 4.205 -2.114 1.00 0.00 C ATOM 0 H ALA A 90 6.780 3.901 0.360 1.00 0.00 H new ATOM 0 HA ALA A 90 7.945 4.557 -2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.591 4.783 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.938 3.152 -2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.055 4.322 -1.370 1.00 0.00 H new ATOM 1434 N GLU A 91 7.893 6.985 -1.922 1.00 0.00 N ATOM 1435 CA GLU A 91 7.909 8.429 -1.720 1.00 0.00 C ATOM 1436 C GLU A 91 7.270 9.151 -2.903 1.00 0.00 C ATOM 1437 O GLU A 91 7.498 8.794 -4.059 1.00 0.00 O ATOM 1438 CB GLU A 91 9.344 8.922 -1.521 1.00 0.00 C ATOM 1439 CG GLU A 91 10.019 9.363 -2.809 1.00 0.00 C ATOM 1440 CD GLU A 91 11.532 9.304 -2.724 1.00 0.00 C ATOM 1441 OE1 GLU A 91 12.074 8.194 -2.545 1.00 0.00 O ATOM 1442 OE2 GLU A 91 12.174 10.370 -2.837 1.00 0.00 O ATOM 0 H GLU A 91 8.552 6.649 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 91 7.329 8.652 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.339 9.756 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.933 8.126 -1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.680 8.729 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.711 10.382 -3.046 1.00 0.00 H new ATOM 1449 N HIS A 92 6.469 10.169 -2.605 1.00 0.00 N ATOM 1450 CA HIS A 92 5.796 10.942 -3.643 1.00 0.00 C ATOM 1451 C HIS A 92 5.914 12.438 -3.368 1.00 0.00 C ATOM 1452 O HIS A 92 4.973 13.065 -2.881 1.00 0.00 O ATOM 1453 CB HIS A 92 4.323 10.542 -3.733 1.00 0.00 C ATOM 1454 CG HIS A 92 3.493 11.491 -4.540 1.00 0.00 C ATOM 1455 ND1 HIS A 92 2.212 11.858 -4.187 1.00 0.00 N ATOM 1456 CD2 HIS A 92 3.769 12.152 -5.689 1.00 0.00 C ATOM 1457 CE1 HIS A 92 1.734 12.702 -5.084 1.00 0.00 C ATOM 1458 NE2 HIS A 92 2.660 12.897 -6.006 1.00 0.00 N ATOM 0 H HIS A 92 6.270 10.478 -1.653 1.00 0.00 H new ATOM 0 HA HIS A 92 6.281 10.726 -4.595 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.252 9.547 -4.171 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.910 10.477 -2.726 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.690 12.102 -6.251 1.00 0.00 H new ATOM 0 HE1 HIS A 92 0.754 13.155 -5.067 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.566 13.503 -6.821 1.00 0.00 H new ATOM 1467 N ALA A 93 7.075 13.003 -3.682 1.00 0.00 N ATOM 1468 CA ALA A 93 7.314 14.425 -3.471 1.00 0.00 C ATOM 1469 C ALA A 93 6.037 15.233 -3.676 1.00 0.00 C ATOM 1470 O ALA A 93 5.717 15.632 -4.794 1.00 0.00 O ATOM 1471 CB ALA A 93 8.410 14.920 -4.403 1.00 0.00 C ATOM 0 H ALA A 93 7.865 12.497 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 93 7.639 14.564 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.578 15.984 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.331 14.371 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.107 14.760 -5.438 1.00 0.00 H new ATOM 1477 N GLY A 94 5.312 15.471 -2.587 1.00 0.00 N ATOM 1478 CA GLY A 94 4.077 16.230 -2.670 1.00 0.00 C ATOM 1479 C GLY A 94 3.095 15.861 -1.576 1.00 0.00 C ATOM 1480 O GLY A 94 2.318 16.699 -1.120 1.00 0.00 O ATOM 0 H GLY A 94 5.557 15.152 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.303 17.294 -2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.614 16.060 -3.642 1.00 0.00 H new ATOM 1484 N VAL A 95 3.129 14.601 -1.153 1.00 0.00 N ATOM 1485 CA VAL A 95 2.234 14.122 -0.106 1.00 0.00 C ATOM 1486 C VAL A 95 3.020 13.574 1.080 1.00 0.00 C ATOM 1487 O VAL A 95 3.116 14.219 2.124 1.00 0.00 O ATOM 1488 CB VAL A 95 1.291 13.024 -0.633 1.00 0.00 C ATOM 1489 CG1 VAL A 95 0.361 12.543 0.471 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.496 13.533 -1.826 1.00 0.00 C ATOM 0 H VAL A 95 3.766 13.894 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 95 1.640 14.976 0.218 1.00 0.00 H new ATOM 0 HB VAL A 95 1.895 12.178 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.298 11.768 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.951 12.137 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.238 13.379 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.165 12.745 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.098 14.396 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.181 13.824 -2.622 1.00 0.00 H new ATOM 1500 N ARG A 96 3.581 12.382 0.911 1.00 0.00 N ATOM 1501 CA ARG A 96 4.359 11.747 1.969 1.00 0.00 C ATOM 1502 C ARG A 96 5.054 10.490 1.453 1.00 0.00 C ATOM 1503 O ARG A 96 4.997 10.180 0.263 1.00 0.00 O ATOM 1504 CB ARG A 96 3.457 11.394 3.153 1.00 0.00 C ATOM 1505 CG ARG A 96 2.736 10.065 2.995 1.00 0.00 C ATOM 1506 CD ARG A 96 1.818 9.786 4.175 1.00 0.00 C ATOM 1507 NE ARG A 96 2.554 9.702 5.434 1.00 0.00 N ATOM 1508 CZ ARG A 96 3.284 8.651 5.789 1.00 0.00 C ATOM 1509 NH1 ARG A 96 3.375 7.600 4.986 1.00 0.00 N ATOM 1510 NH2 ARG A 96 3.925 8.649 6.951 1.00 0.00 N ATOM 0 H ARG A 96 3.512 11.836 0.052 1.00 0.00 H new ATOM 0 HA ARG A 96 5.121 12.453 2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.059 11.365 4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.719 12.185 3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.154 10.073 2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.467 9.262 2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.068 10.574 4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.283 8.852 4.005 1.00 0.00 H new ATOM 0 HE ARG A 96 2.505 10.494 6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.883 7.597 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.937 6.794 5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.857 9.455 7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.485 7.841 7.223 1.00 0.00 H new ATOM 1524 N THR A 97 5.710 9.769 2.357 1.00 0.00 N ATOM 1525 CA THR A 97 6.417 8.548 1.994 1.00 0.00 C ATOM 1526 C THR A 97 5.898 7.355 2.789 1.00 0.00 C ATOM 1527 O THR A 97 6.155 7.237 3.987 1.00 0.00 O ATOM 1528 CB THR A 97 7.933 8.686 2.228 1.00 0.00 C ATOM 1529 OG1 THR A 97 8.421 9.874 1.594 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.677 7.475 1.686 1.00 0.00 C ATOM 0 H THR A 97 5.766 10.010 3.346 1.00 0.00 H new ATOM 0 HA THR A 97 6.234 8.381 0.932 1.00 0.00 H new ATOM 0 HB THR A 97 8.108 8.750 3.302 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.385 9.955 1.749 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.746 7.595 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.325 6.576 2.191 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.494 7.385 0.615 1.00 0.00 H new ATOM 1538 N TYR A 98 5.168 6.474 2.115 1.00 0.00 N ATOM 1539 CA TYR A 98 4.612 5.290 2.760 1.00 0.00 C ATOM 1540 C TYR A 98 5.668 4.198 2.899 1.00 0.00 C ATOM 1541 O TYR A 98 6.633 4.150 2.136 1.00 0.00 O ATOM 1542 CB TYR A 98 3.419 4.762 1.961 1.00 0.00 C ATOM 1543 CG TYR A 98 2.123 5.481 2.262 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.828 6.700 1.664 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.195 4.943 3.144 1.00 0.00 C ATOM 1546 CE1 TYR A 98 0.645 7.362 1.936 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.010 5.596 3.421 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.260 6.805 2.814 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.440 7.460 3.089 1.00 0.00 O ATOM 0 H TYR A 98 4.947 6.557 1.123 1.00 0.00 H new ATOM 0 HA TYR A 98 4.277 5.575 3.757 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.636 4.853 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.293 3.700 2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.535 7.138 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.404 3.997 3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.431 8.309 1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.701 5.163 4.109 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.966 6.933 3.726 1.00 0.00 H new ATOM 1559 N PHE A 99 5.478 3.322 3.880 1.00 0.00 N ATOM 1560 CA PHE A 99 6.413 2.230 4.122 1.00 0.00 C ATOM 1561 C PHE A 99 5.697 0.883 4.088 1.00 0.00 C ATOM 1562 O PHE A 99 4.542 0.771 4.502 1.00 0.00 O ATOM 1563 CB PHE A 99 7.110 2.416 5.471 1.00 0.00 C ATOM 1564 CG PHE A 99 8.320 3.303 5.403 1.00 0.00 C ATOM 1565 CD1 PHE A 99 8.191 4.681 5.477 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.587 2.760 5.263 1.00 0.00 C ATOM 1567 CE1 PHE A 99 9.302 5.500 5.415 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.702 3.574 5.201 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.560 4.946 5.276 1.00 0.00 C ATOM 0 H PHE A 99 4.685 3.347 4.520 1.00 0.00 H new ATOM 0 HA PHE A 99 7.161 2.244 3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.400 2.837 6.183 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.406 1.440 5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.210 5.120 5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.705 1.688 5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.187 6.572 5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.684 3.138 5.094 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.430 5.584 5.226 1.00 0.00 H new ATOM 1579 N PHE A 100 6.390 -0.137 3.593 1.00 0.00 N ATOM 1580 CA PHE A 100 5.820 -1.476 3.503 1.00 0.00 C ATOM 1581 C PHE A 100 6.900 -2.540 3.684 1.00 0.00 C ATOM 1582 O PHE A 100 7.839 -2.627 2.893 1.00 0.00 O ATOM 1583 CB PHE A 100 5.121 -1.668 2.156 1.00 0.00 C ATOM 1584 CG PHE A 100 4.156 -0.567 1.820 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.875 -0.566 2.346 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.530 0.467 0.976 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.984 0.445 2.039 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.644 1.481 0.666 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.369 1.470 1.197 1.00 0.00 C ATOM 0 H PHE A 100 7.347 -0.062 3.248 1.00 0.00 H new ATOM 0 HA PHE A 100 5.088 -1.586 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.874 -1.733 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.587 -2.618 2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.568 -1.365 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.525 0.480 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.988 0.434 2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.948 2.282 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.675 2.261 0.954 1.00 0.00 H new ATOM 1599 N SER A 101 6.759 -3.346 4.732 1.00 0.00 N ATOM 1600 CA SER A 101 7.723 -4.400 5.020 1.00 0.00 C ATOM 1601 C SER A 101 7.244 -5.740 4.471 1.00 0.00 C ATOM 1602 O SER A 101 6.065 -5.911 4.162 1.00 0.00 O ATOM 1603 CB SER A 101 7.957 -4.509 6.528 1.00 0.00 C ATOM 1604 OG SER A 101 8.867 -5.552 6.830 1.00 0.00 O ATOM 0 H SER A 101 5.986 -3.289 5.395 1.00 0.00 H new ATOM 0 HA SER A 101 8.662 -4.141 4.531 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.344 -3.564 6.908 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.009 -4.692 7.034 1.00 0.00 H new ATOM 0 HG SER A 101 9.777 -5.269 6.602 1.00 0.00 H new ATOM 1610 N ALA A 102 8.167 -6.688 4.352 1.00 0.00 N ATOM 1611 CA ALA A 102 7.840 -8.014 3.842 1.00 0.00 C ATOM 1612 C ALA A 102 8.501 -9.103 4.680 1.00 0.00 C ATOM 1613 O ALA A 102 9.688 -9.022 4.995 1.00 0.00 O ATOM 1614 CB ALA A 102 8.261 -8.138 2.385 1.00 0.00 C ATOM 0 H ALA A 102 9.148 -6.563 4.602 1.00 0.00 H new ATOM 0 HA ALA A 102 6.760 -8.146 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.011 -9.133 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.738 -7.389 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.336 -7.981 2.302 1.00 0.00 H new ATOM 1620 N GLU A 103 7.725 -10.121 5.037 1.00 0.00 N ATOM 1621 CA GLU A 103 8.236 -11.226 5.840 1.00 0.00 C ATOM 1622 C GLU A 103 9.494 -11.819 5.211 1.00 0.00 C ATOM 1623 O GLU A 103 10.513 -11.993 5.881 1.00 0.00 O ATOM 1624 CB GLU A 103 7.169 -12.312 5.993 1.00 0.00 C ATOM 1625 CG GLU A 103 5.877 -11.811 6.616 1.00 0.00 C ATOM 1626 CD GLU A 103 4.826 -12.899 6.734 1.00 0.00 C ATOM 1627 OE1 GLU A 103 4.916 -13.711 7.678 1.00 0.00 O ATOM 1628 OE2 GLU A 103 3.915 -12.937 5.881 1.00 0.00 O ATOM 0 H GLU A 103 6.741 -10.204 4.783 1.00 0.00 H new ATOM 0 HA GLU A 103 8.491 -10.837 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.950 -12.735 5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.569 -13.119 6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.088 -11.406 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.481 -10.992 6.015 1.00 0.00 H new ATOM 1635 N SER A 104 9.414 -12.127 3.921 1.00 0.00 N ATOM 1636 CA SER A 104 10.544 -12.705 3.202 1.00 0.00 C ATOM 1637 C SER A 104 10.987 -11.792 2.063 1.00 0.00 C ATOM 1638 O SER A 104 10.231 -10.950 1.578 1.00 0.00 O ATOM 1639 CB SER A 104 10.174 -14.083 2.651 1.00 0.00 C ATOM 1640 OG SER A 104 10.440 -15.100 3.601 1.00 0.00 O ATOM 0 H SER A 104 8.579 -11.986 3.352 1.00 0.00 H new ATOM 0 HA SER A 104 11.372 -12.812 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.118 -14.099 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.738 -14.277 1.739 1.00 0.00 H new ATOM 0 HG SER A 104 10.193 -15.971 3.226 1.00 0.00 H new ATOM 1646 N PRO A 105 12.244 -11.960 1.626 1.00 0.00 N ATOM 1647 CA PRO A 105 12.818 -11.161 0.539 1.00 0.00 C ATOM 1648 C PRO A 105 12.199 -11.493 -0.814 1.00 0.00 C ATOM 1649 O PRO A 105 12.313 -10.720 -1.765 1.00 0.00 O ATOM 1650 CB PRO A 105 14.299 -11.547 0.559 1.00 0.00 C ATOM 1651 CG PRO A 105 14.328 -12.908 1.163 1.00 0.00 C ATOM 1652 CD PRO A 105 13.202 -12.943 2.159 1.00 0.00 C ATOM 0 HA PRO A 105 12.639 -10.095 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.721 -11.551 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.884 -10.840 1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.199 -13.676 0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.285 -13.099 1.649 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.760 -13.937 2.231 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.541 -12.672 3.159 1.00 0.00 H new ATOM 1660 N GLU A 106 11.543 -12.647 -0.892 1.00 0.00 N ATOM 1661 CA GLU A 106 10.907 -13.080 -2.130 1.00 0.00 C ATOM 1662 C GLU A 106 9.668 -12.241 -2.428 1.00 0.00 C ATOM 1663 O GLU A 106 9.369 -11.945 -3.585 1.00 0.00 O ATOM 1664 CB GLU A 106 10.525 -14.559 -2.043 1.00 0.00 C ATOM 1665 CG GLU A 106 11.719 -15.491 -1.922 1.00 0.00 C ATOM 1666 CD GLU A 106 11.326 -16.954 -1.975 1.00 0.00 C ATOM 1667 OE1 GLU A 106 10.501 -17.377 -1.138 1.00 0.00 O ATOM 1668 OE2 GLU A 106 11.843 -17.676 -2.853 1.00 0.00 O ATOM 0 H GLU A 106 11.438 -13.298 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 106 11.621 -12.943 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 106 9.871 -14.707 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.952 -14.830 -2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.423 -15.279 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.237 -15.292 -0.984 1.00 0.00 H new ATOM 1675 N GLU A 107 8.950 -11.861 -1.375 1.00 0.00 N ATOM 1676 CA GLU A 107 7.743 -11.056 -1.524 1.00 0.00 C ATOM 1677 C GLU A 107 8.093 -9.597 -1.802 1.00 0.00 C ATOM 1678 O GLU A 107 7.533 -8.976 -2.705 1.00 0.00 O ATOM 1679 CB GLU A 107 6.880 -11.154 -0.264 1.00 0.00 C ATOM 1680 CG GLU A 107 6.177 -12.493 -0.111 1.00 0.00 C ATOM 1681 CD GLU A 107 7.099 -13.580 0.408 1.00 0.00 C ATOM 1682 OE1 GLU A 107 7.952 -14.054 -0.371 1.00 0.00 O ATOM 1683 OE2 GLU A 107 6.966 -13.956 1.591 1.00 0.00 O ATOM 0 H GLU A 107 9.183 -12.098 -0.411 1.00 0.00 H new ATOM 0 HA GLU A 107 7.180 -11.444 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.507 -10.980 0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.133 -10.361 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.334 -12.381 0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.769 -12.797 -1.075 1.00 0.00 H new ATOM 1690 N GLN A 108 9.020 -9.057 -1.018 1.00 0.00 N ATOM 1691 CA GLN A 108 9.443 -7.671 -1.179 1.00 0.00 C ATOM 1692 C GLN A 108 9.820 -7.382 -2.629 1.00 0.00 C ATOM 1693 O GLN A 108 9.186 -6.563 -3.293 1.00 0.00 O ATOM 1694 CB GLN A 108 10.628 -7.367 -0.261 1.00 0.00 C ATOM 1695 CG GLN A 108 11.256 -6.005 -0.509 1.00 0.00 C ATOM 1696 CD GLN A 108 12.712 -5.948 -0.088 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.398 -6.969 -0.047 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.191 -4.750 0.227 1.00 0.00 N ATOM 0 H GLN A 108 9.492 -9.558 -0.265 1.00 0.00 H new ATOM 0 HA GLN A 108 8.607 -7.028 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.297 -7.422 0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.387 -8.138 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.178 -5.761 -1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.694 -5.246 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.586 -3.930 0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.164 -4.650 0.517 1.00 0.00 H new ATOM 1707 N GLU A 109 10.857 -8.059 -3.112 1.00 0.00 N ATOM 1708 CA GLU A 109 11.318 -7.873 -4.483 1.00 0.00 C ATOM 1709 C GLU A 109 10.172 -8.061 -5.473 1.00 0.00 C ATOM 1710 O GLU A 109 9.955 -7.229 -6.352 1.00 0.00 O ATOM 1711 CB GLU A 109 12.448 -8.854 -4.802 1.00 0.00 C ATOM 1712 CG GLU A 109 11.961 -10.205 -5.297 1.00 0.00 C ATOM 1713 CD GLU A 109 13.098 -11.131 -5.681 1.00 0.00 C ATOM 1714 OE1 GLU A 109 13.719 -11.718 -4.771 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.367 -11.268 -6.893 1.00 0.00 O ATOM 0 H GLU A 109 11.393 -8.740 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 109 11.693 -6.854 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.098 -8.413 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.053 -9.001 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.360 -10.677 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.310 -10.059 -6.159 1.00 0.00 H new ATOM 1722 N ALA A 110 9.443 -9.162 -5.322 1.00 0.00 N ATOM 1723 CA ALA A 110 8.319 -9.460 -6.201 1.00 0.00 C ATOM 1724 C ALA A 110 7.291 -8.333 -6.179 1.00 0.00 C ATOM 1725 O ALA A 110 6.679 -8.019 -7.200 1.00 0.00 O ATOM 1726 CB ALA A 110 7.670 -10.776 -5.801 1.00 0.00 C ATOM 0 H ALA A 110 9.611 -9.862 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 110 8.700 -9.550 -7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.832 -10.985 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.402 -11.580 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.310 -10.707 -4.775 1.00 0.00 H new ATOM 1732 N TRP A 111 7.106 -7.731 -5.010 1.00 0.00 N ATOM 1733 CA TRP A 111 6.152 -6.639 -4.856 1.00 0.00 C ATOM 1734 C TRP A 111 6.609 -5.403 -5.623 1.00 0.00 C ATOM 1735 O TRP A 111 5.832 -4.798 -6.362 1.00 0.00 O ATOM 1736 CB TRP A 111 5.971 -6.298 -3.376 1.00 0.00 C ATOM 1737 CG TRP A 111 4.866 -7.068 -2.719 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.995 -8.021 -1.749 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.464 -6.953 -2.986 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.758 -8.505 -1.397 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.802 -7.865 -2.141 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.703 -6.166 -3.855 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.418 -8.011 -2.143 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.329 -6.312 -3.856 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.698 -7.228 -3.004 1.00 0.00 C ATOM 0 H TRP A 111 7.604 -7.980 -4.155 1.00 0.00 H new ATOM 0 HA TRP A 111 5.196 -6.965 -5.267 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.904 -6.495 -2.849 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.769 -5.231 -3.279 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.932 -8.346 -1.321 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.580 -9.224 -0.696 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.181 -5.456 -4.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.929 -8.717 -1.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.732 -5.710 -4.525 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.378 -7.318 -3.027 1.00 0.00 H new ATOM 1756 N ILE A 112 7.873 -5.035 -5.444 1.00 0.00 N ATOM 1757 CA ILE A 112 8.432 -3.872 -6.121 1.00 0.00 C ATOM 1758 C ILE A 112 8.265 -3.982 -7.633 1.00 0.00 C ATOM 1759 O ILE A 112 7.981 -2.994 -8.309 1.00 0.00 O ATOM 1760 CB ILE A 112 9.926 -3.694 -5.793 1.00 0.00 C ATOM 1761 CG1 ILE A 112 10.106 -3.308 -4.323 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.547 -2.643 -6.701 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.537 -3.407 -3.842 1.00 0.00 C ATOM 0 H ILE A 112 8.529 -5.525 -4.836 1.00 0.00 H new ATOM 0 HA ILE A 112 7.882 -3.003 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 112 10.435 -4.642 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.753 -2.287 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.479 -3.953 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.603 -2.529 -6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.447 -2.955 -7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.037 -1.691 -6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.589 -3.119 -2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.888 -4.433 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.166 -2.741 -4.433 1.00 0.00 H new ATOM 1775 N GLN A 113 8.441 -5.192 -8.155 1.00 0.00 N ATOM 1776 CA GLN A 113 8.308 -5.432 -9.587 1.00 0.00 C ATOM 1777 C GLN A 113 6.969 -4.916 -10.104 1.00 0.00 C ATOM 1778 O GLN A 113 6.908 -4.239 -11.129 1.00 0.00 O ATOM 1779 CB GLN A 113 8.444 -6.925 -9.890 1.00 0.00 C ATOM 1780 CG GLN A 113 9.786 -7.510 -9.479 1.00 0.00 C ATOM 1781 CD GLN A 113 10.210 -8.670 -10.358 1.00 0.00 C ATOM 1782 OE1 GLN A 113 11.222 -8.597 -11.056 1.00 0.00 O ATOM 1783 NE2 GLN A 113 9.438 -9.749 -10.328 1.00 0.00 N ATOM 0 H GLN A 113 8.676 -6.020 -7.608 1.00 0.00 H new ATOM 0 HA GLN A 113 9.106 -4.891 -10.096 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.649 -7.465 -9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.299 -7.085 -10.958 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.546 -6.730 -9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.730 -7.845 -8.443 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.608 -9.766 -9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.674 -10.561 -10.898 1.00 0.00 H new ATOM 1792 N ALA A 114 5.899 -5.241 -9.386 1.00 0.00 N ATOM 1793 CA ALA A 114 4.561 -4.809 -9.772 1.00 0.00 C ATOM 1794 C ALA A 114 4.300 -3.372 -9.331 1.00 0.00 C ATOM 1795 O ALA A 114 3.947 -2.519 -10.144 1.00 0.00 O ATOM 1796 CB ALA A 114 3.515 -5.742 -9.181 1.00 0.00 C ATOM 0 H ALA A 114 5.932 -5.802 -8.534 1.00 0.00 H new ATOM 0 HA ALA A 114 4.493 -4.846 -10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.521 -5.408 -9.477 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.682 -6.755 -9.548 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.592 -5.733 -8.094 1.00 0.00 H new ATOM 1802 N MET A 115 4.476 -3.113 -8.040 1.00 0.00 N ATOM 1803 CA MET A 115 4.260 -1.779 -7.493 1.00 0.00 C ATOM 1804 C MET A 115 5.158 -0.756 -8.182 1.00 0.00 C ATOM 1805 O MET A 115 4.675 0.173 -8.827 1.00 0.00 O ATOM 1806 CB MET A 115 4.524 -1.773 -5.986 1.00 0.00 C ATOM 1807 CG MET A 115 3.299 -2.111 -5.152 1.00 0.00 C ATOM 1808 SD MET A 115 3.382 -1.427 -3.486 1.00 0.00 S ATOM 1809 CE MET A 115 2.969 -2.869 -2.507 1.00 0.00 C ATOM 0 H MET A 115 4.767 -3.809 -7.353 1.00 0.00 H new ATOM 0 HA MET A 115 3.221 -1.504 -7.674 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.315 -2.489 -5.761 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.892 -0.789 -5.694 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.408 -1.732 -5.652 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.194 -3.194 -5.091 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.979 -2.606 -1.449 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.976 -3.224 -2.783 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.700 -3.656 -2.692 1.00 0.00 H new ATOM 1819 N GLY A 116 6.468 -0.935 -8.041 1.00 0.00 N ATOM 1820 CA GLY A 116 7.412 -0.019 -8.655 1.00 0.00 C ATOM 1821 C GLY A 116 6.981 0.413 -10.042 1.00 0.00 C ATOM 1822 O GLY A 116 6.949 1.605 -10.346 1.00 0.00 O ATOM 0 H GLY A 116 6.892 -1.698 -7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.524 0.861 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.390 -0.496 -8.714 1.00 0.00 H new ATOM 1826 N GLU A 117 6.649 -0.558 -10.887 1.00 0.00 N ATOM 1827 CA GLU A 117 6.221 -0.271 -12.251 1.00 0.00 C ATOM 1828 C GLU A 117 4.863 0.426 -12.259 1.00 0.00 C ATOM 1829 O GLU A 117 4.719 1.522 -12.800 1.00 0.00 O ATOM 1830 CB GLU A 117 6.149 -1.561 -13.070 1.00 0.00 C ATOM 1831 CG GLU A 117 7.480 -1.973 -13.675 1.00 0.00 C ATOM 1832 CD GLU A 117 7.352 -3.153 -14.619 1.00 0.00 C ATOM 1833 OE1 GLU A 117 7.239 -4.295 -14.128 1.00 0.00 O ATOM 1834 OE2 GLU A 117 7.365 -2.933 -15.848 1.00 0.00 O ATOM 0 H GLU A 117 6.668 -1.550 -10.651 1.00 0.00 H new ATOM 0 HA GLU A 117 6.956 0.396 -12.702 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.785 -2.366 -12.432 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.420 -1.433 -13.870 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.908 -1.127 -14.213 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.176 -2.226 -12.875 1.00 0.00 H new ATOM 1841 N ALA A 118 3.870 -0.219 -11.655 1.00 0.00 N ATOM 1842 CA ALA A 118 2.525 0.338 -11.591 1.00 0.00 C ATOM 1843 C ALA A 118 2.544 1.758 -11.036 1.00 0.00 C ATOM 1844 O ALA A 118 1.644 2.553 -11.305 1.00 0.00 O ATOM 1845 CB ALA A 118 1.626 -0.550 -10.744 1.00 0.00 C ATOM 0 H ALA A 118 3.972 -1.128 -11.203 1.00 0.00 H new ATOM 0 HA ALA A 118 2.127 0.378 -12.605 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.624 -0.122 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.578 -1.546 -11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.031 -0.620 -9.734 1.00 0.00 H new ATOM 1851 N ALA A 119 3.576 2.070 -10.259 1.00 0.00 N ATOM 1852 CA ALA A 119 3.713 3.395 -9.666 1.00 0.00 C ATOM 1853 C ALA A 119 4.341 4.375 -10.652 1.00 0.00 C ATOM 1854 O ALA A 119 3.919 5.527 -10.750 1.00 0.00 O ATOM 1855 CB ALA A 119 4.542 3.321 -8.393 1.00 0.00 C ATOM 0 H ALA A 119 4.329 1.423 -10.025 1.00 0.00 H new ATOM 0 HA ALA A 119 2.716 3.759 -9.416 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.636 4.318 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.052 2.660 -7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.533 2.932 -8.626 1.00 0.00 H new ATOM 1861 N ARG A 120 5.352 3.910 -11.378 1.00 0.00 N ATOM 1862 CA ARG A 120 6.039 4.746 -12.355 1.00 0.00 C ATOM 1863 C ARG A 120 5.050 5.635 -13.102 1.00 0.00 C ATOM 1864 O ARG A 120 3.855 5.343 -13.156 1.00 0.00 O ATOM 1865 CB ARG A 120 6.811 3.877 -13.349 1.00 0.00 C ATOM 1866 CG ARG A 120 8.148 3.385 -12.819 1.00 0.00 C ATOM 1867 CD ARG A 120 8.815 2.426 -13.792 1.00 0.00 C ATOM 1868 NE ARG A 120 9.664 3.125 -14.754 1.00 0.00 N ATOM 1869 CZ ARG A 120 10.866 3.607 -14.459 1.00 0.00 C ATOM 1870 NH1 ARG A 120 11.358 3.467 -13.236 1.00 0.00 N ATOM 1871 NH2 ARG A 120 11.578 4.231 -15.388 1.00 0.00 N ATOM 0 H ARG A 120 5.714 2.959 -11.308 1.00 0.00 H new ATOM 0 HA ARG A 120 6.741 5.384 -11.819 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.198 3.017 -13.619 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.980 4.447 -14.262 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.804 4.236 -12.638 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.000 2.888 -11.860 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.414 1.705 -13.237 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.051 1.861 -14.326 1.00 0.00 H new ATOM 0 HE ARG A 120 9.314 3.250 -15.704 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.813 2.988 -12.519 1.00 0.00 H new ATOM 0 HH12 ARG A 120 12.281 3.838 -13.012 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.203 4.341 -16.330 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.501 4.601 -15.160 1.00 0.00 H new