USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 633 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 91 TYR OH : rot 50:sc= -0.798! USER MOD Set 1.2: A 114 THR OG1 : rot -170:sc= 1.39 USER MOD Set 2.1: A 96 MET CE :methyl 149:sc= -0.841 (180deg=-1.31) USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 63 SER OG : rot -74:sc= 1.06 USER MOD Set 3.2: A 90 MET CE :methyl -156:sc= -0.257 (180deg=-1.02) USER MOD Set 4.1: A 31 THR OG1 : rot -94:sc= 0.835 USER MOD Set 4.2: A 32 HIS : no HD1:sc= -2.38! C(o=-1.5!,f=-5.7!) USER MOD Single : A 19 MET CE :methyl 180:sc= -5.41! (180deg=-5.41!) USER MOD Single : A 26 GLN :FLIP amide:sc= -8.3! C(o=-14!,f=-8.3!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.728 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -88:sc= 1.25 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -143:sc= 0.372 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.782 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0072 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 13:sc= 0.135 USER MOD Single : A 80 TYR OH : rot 178:sc= -0.828 USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00143 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.272 F(o=-1.2,f=-0.27) USER MOD Single : A 89 THR OG1 : rot 67:sc= -0.259 USER MOD Single : A 94 SER OG : rot 54:sc= -0.644 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 103 SER OG : rot 180:sc= 0.00178 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 137:sc= 1.02 USER MOD Single : A 108 MET CE :methyl 150:sc= -2.03 (180deg=-3.66!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HE2:sc= -4.21! C(o=-4.2!,f=-5.9!) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.887 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 4.575 17.990 3.056 1.00 0.00 N ATOM 226 CA MET A 19 3.638 17.270 2.201 1.00 0.00 C ATOM 227 C MET A 19 2.634 16.483 3.036 1.00 0.00 C ATOM 228 O MET A 19 2.785 16.357 4.252 1.00 0.00 O ATOM 229 CB MET A 19 4.393 16.324 1.265 1.00 0.00 C ATOM 230 CG MET A 19 5.329 17.039 0.304 1.00 0.00 C ATOM 231 SD MET A 19 5.505 16.172 -1.268 1.00 0.00 S ATOM 232 CE MET A 19 3.802 16.119 -1.818 1.00 0.00 C ATOM 0 HA MET A 19 3.093 18.002 1.605 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.969 15.618 1.863 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.672 15.742 0.691 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.954 18.046 0.119 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.310 17.144 0.768 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.746 15.611 -2.781 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.200 15.579 -1.087 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.421 17.135 -1.921 1.00 0.00 H new ATOM 242 N LEU A 20 1.608 15.955 2.377 1.00 0.00 N ATOM 243 CA LEU A 20 0.577 15.180 3.059 1.00 0.00 C ATOM 244 C LEU A 20 0.250 13.908 2.284 1.00 0.00 C ATOM 245 O LEU A 20 -0.266 13.948 1.167 1.00 0.00 O ATOM 246 CB LEU A 20 -0.688 16.022 3.238 1.00 0.00 C ATOM 247 CG LEU A 20 -1.617 15.604 4.378 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.134 14.191 4.154 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.899 15.705 5.716 1.00 0.00 C ATOM 0 H LEU A 20 1.468 16.049 1.371 1.00 0.00 H new ATOM 0 HA LEU A 20 0.959 14.897 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.391 17.058 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.254 15.994 2.307 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.470 16.283 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.794 13.910 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.686 14.150 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.293 13.499 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.576 15.404 6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.028 15.050 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.579 16.734 5.880 1.00 0.00 H new ATOM 261 N PRO A 21 0.555 12.751 2.890 1.00 0.00 N ATOM 262 CA PRO A 21 0.299 11.445 2.276 1.00 0.00 C ATOM 263 C PRO A 21 -1.189 11.123 2.195 1.00 0.00 C ATOM 264 O PRO A 21 -2.014 11.707 2.898 1.00 0.00 O ATOM 265 CB PRO A 21 1.007 10.466 3.216 1.00 0.00 C ATOM 266 CG PRO A 21 1.041 11.163 4.532 1.00 0.00 C ATOM 267 CD PRO A 21 1.172 12.628 4.221 1.00 0.00 C ATOM 0 HA PRO A 21 0.655 11.403 1.247 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.468 9.521 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.012 10.236 2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.133 10.965 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.879 10.816 5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.659 13.243 4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.215 12.945 4.211 1.00 0.00 H new ATOM 275 N PRO A 22 -1.543 10.173 1.317 1.00 0.00 N ATOM 276 CA PRO A 22 -2.934 9.752 1.124 1.00 0.00 C ATOM 277 C PRO A 22 -3.479 8.985 2.324 1.00 0.00 C ATOM 278 O PRO A 22 -2.731 8.616 3.229 1.00 0.00 O ATOM 279 CB PRO A 22 -2.862 8.842 -0.105 1.00 0.00 C ATOM 280 CG PRO A 22 -1.463 8.329 -0.115 1.00 0.00 C ATOM 281 CD PRO A 22 -0.613 9.435 0.446 1.00 0.00 C ATOM 0 HA PRO A 22 -3.604 10.603 1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.582 8.027 -0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.089 9.392 -1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.374 7.425 0.487 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.149 8.070 -1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.237 9.044 1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.210 10.071 -0.342 1.00 0.00 H new ATOM 289 N VAL A 23 -4.787 8.748 2.324 1.00 0.00 N ATOM 290 CA VAL A 23 -5.432 8.023 3.412 1.00 0.00 C ATOM 291 C VAL A 23 -6.345 6.925 2.876 1.00 0.00 C ATOM 292 O VAL A 23 -6.472 6.745 1.666 1.00 0.00 O ATOM 293 CB VAL A 23 -6.256 8.969 4.306 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.385 10.100 4.831 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.452 9.516 3.542 1.00 0.00 C ATOM 0 H VAL A 23 -5.420 9.048 1.583 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.637 7.573 4.007 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.628 8.403 5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.984 10.758 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.564 9.686 5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.982 10.668 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.023 10.182 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.104 10.068 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.087 8.690 3.221 1.00 0.00 H new ATOM 305 N GLY A 24 -6.980 6.194 3.787 1.00 0.00 N ATOM 306 CA GLY A 24 -7.874 5.123 3.387 1.00 0.00 C ATOM 307 C GLY A 24 -7.273 4.236 2.314 1.00 0.00 C ATOM 308 O GLY A 24 -7.931 3.910 1.327 1.00 0.00 O ATOM 0 H GLY A 24 -6.891 6.324 4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.122 4.517 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.807 5.551 3.020 1.00 0.00 H new ATOM 312 N VAL A 25 -6.016 3.846 2.507 1.00 0.00 N ATOM 313 CA VAL A 25 -5.326 2.993 1.548 1.00 0.00 C ATOM 314 C VAL A 25 -5.891 1.577 1.565 1.00 0.00 C ATOM 315 O VAL A 25 -5.840 0.891 2.585 1.00 0.00 O ATOM 316 CB VAL A 25 -3.814 2.933 1.836 1.00 0.00 C ATOM 317 CG1 VAL A 25 -3.069 2.320 0.660 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.277 4.321 2.153 1.00 0.00 C ATOM 0 H VAL A 25 -5.456 4.108 3.318 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.484 3.433 0.563 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.653 2.298 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.002 2.286 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.435 1.308 0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.235 2.925 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.207 4.260 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.450 4.981 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.789 4.718 3.030 1.00 0.00 H new ATOM 328 N GLN A 26 -6.430 1.147 0.428 1.00 0.00 N ATOM 329 CA GLN A 26 -7.006 -0.187 0.313 1.00 0.00 C ATOM 330 C GLN A 26 -6.322 -0.981 -0.796 1.00 0.00 C ATOM 331 O GLN A 26 -6.047 -0.452 -1.872 1.00 0.00 O ATOM 332 CB GLN A 26 -8.508 -0.096 0.039 1.00 0.00 C ATOM 333 CG GLN A 26 -9.049 -1.255 -0.782 1.00 0.00 C ATOM 334 CD GLN A 26 -9.014 -0.981 -2.272 1.00 0.00 C ATOM 335 OE1 GLN A 26 -8.020 -1.538 -2.954 1.00 0.00 O flip ATOM 336 NE2 GLN A 26 -9.872 -0.277 -2.806 1.00 0.00 N flip ATOM 0 H GLN A 26 -6.479 1.703 -0.426 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.848 -0.706 1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.040 -0.056 0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.717 0.837 -0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.466 -2.151 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.075 -1.462 -0.479 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.619 0.132 -2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.836 -0.103 -3.810 1.00 0.00 H new ATOM 345 N ALA A 27 -6.051 -2.254 -0.525 1.00 0.00 N ATOM 346 CA ALA A 27 -5.402 -3.121 -1.500 1.00 0.00 C ATOM 347 C ALA A 27 -6.306 -4.286 -1.887 1.00 0.00 C ATOM 348 O ALA A 27 -6.424 -5.265 -1.149 1.00 0.00 O ATOM 349 CB ALA A 27 -4.080 -3.635 -0.950 1.00 0.00 C ATOM 0 H ALA A 27 -6.271 -2.707 0.362 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.206 -2.535 -2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.606 -4.281 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.425 -2.792 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.261 -4.200 -0.036 1.00 0.00 H new ATOM 355 N VAL A 28 -6.944 -4.174 -3.048 1.00 0.00 N ATOM 356 CA VAL A 28 -7.838 -5.219 -3.532 1.00 0.00 C ATOM 357 C VAL A 28 -7.095 -6.208 -4.424 1.00 0.00 C ATOM 358 O VAL A 28 -6.234 -5.821 -5.214 1.00 0.00 O ATOM 359 CB VAL A 28 -9.022 -4.625 -4.318 1.00 0.00 C ATOM 360 CG1 VAL A 28 -9.894 -5.733 -4.888 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.837 -3.696 -3.431 1.00 0.00 C ATOM 0 H VAL A 28 -6.858 -3.370 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.219 -5.741 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.628 -4.042 -5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.725 -5.294 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.301 -6.354 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.282 -6.346 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.669 -3.285 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.223 -4.254 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.204 -2.883 -3.077 1.00 0.00 H new ATOM 371 N ALA A 29 -7.435 -7.486 -4.293 1.00 0.00 N ATOM 372 CA ALA A 29 -6.802 -8.530 -5.089 1.00 0.00 C ATOM 373 C ALA A 29 -7.693 -8.950 -6.253 1.00 0.00 C ATOM 374 O ALA A 29 -8.781 -9.491 -6.051 1.00 0.00 O ATOM 375 CB ALA A 29 -6.470 -9.731 -4.215 1.00 0.00 C ATOM 0 H ALA A 29 -8.145 -7.823 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.877 -8.128 -5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.998 -10.503 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.788 -9.426 -3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.386 -10.125 -3.775 1.00 0.00 H new ATOM 381 N LEU A 30 -7.226 -8.697 -7.470 1.00 0.00 N ATOM 382 CA LEU A 30 -7.982 -9.048 -8.667 1.00 0.00 C ATOM 383 C LEU A 30 -7.788 -10.519 -9.022 1.00 0.00 C ATOM 384 O LEU A 30 -8.756 -11.264 -9.182 1.00 0.00 O ATOM 385 CB LEU A 30 -7.553 -8.167 -9.842 1.00 0.00 C ATOM 386 CG LEU A 30 -7.494 -6.664 -9.568 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.686 -5.956 -10.644 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.898 -6.083 -9.484 1.00 0.00 C ATOM 0 H LEU A 30 -6.328 -8.250 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.039 -8.879 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.568 -8.494 -10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.242 -8.338 -10.669 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.999 -6.508 -8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.655 -4.887 -10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.671 -6.353 -10.657 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.152 -6.120 -11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.838 -5.012 -9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.418 -6.251 -10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.445 -6.569 -8.676 1.00 0.00 H new ATOM 400 N THR A 31 -6.530 -10.932 -9.142 1.00 0.00 N ATOM 401 CA THR A 31 -6.209 -12.314 -9.477 1.00 0.00 C ATOM 402 C THR A 31 -4.917 -12.757 -8.800 1.00 0.00 C ATOM 403 O THR A 31 -4.248 -11.964 -8.136 1.00 0.00 O ATOM 404 CB THR A 31 -6.069 -12.506 -10.999 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.347 -13.866 -11.348 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.671 -12.132 -11.465 1.00 0.00 C ATOM 0 H THR A 31 -5.717 -10.329 -9.012 1.00 0.00 H new ATOM 0 HA THR A 31 -7.035 -12.927 -9.116 1.00 0.00 H new ATOM 0 HB THR A 31 -6.786 -11.851 -11.494 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.509 -14.373 -11.381 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.596 -12.276 -12.543 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.474 -11.087 -11.224 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.939 -12.764 -10.963 1.00 0.00 H new ATOM 414 N HIS A 32 -4.570 -14.029 -8.972 1.00 0.00 N ATOM 415 CA HIS A 32 -3.356 -14.577 -8.378 1.00 0.00 C ATOM 416 C HIS A 32 -2.177 -13.628 -8.576 1.00 0.00 C ATOM 417 O HIS A 32 -1.414 -13.367 -7.646 1.00 0.00 O ATOM 418 CB HIS A 32 -3.035 -15.941 -8.989 1.00 0.00 C ATOM 419 CG HIS A 32 -2.928 -15.919 -10.482 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.021 -15.786 -11.313 1.00 0.00 N ATOM 421 CD2 HIS A 32 -1.850 -16.011 -11.295 1.00 0.00 C ATOM 422 CE1 HIS A 32 -3.619 -15.800 -12.571 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.306 -15.934 -12.588 1.00 0.00 N ATOM 0 H HIS A 32 -5.112 -14.699 -9.518 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.527 -14.697 -7.308 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.096 -16.305 -8.571 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.810 -16.651 -8.699 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.822 -16.124 -10.984 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.257 -15.716 -13.439 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -1.725 -15.974 -13.425 1.00 0.00 H new ATOM 432 N ASP A 33 -2.035 -13.116 -9.794 1.00 0.00 N ATOM 433 CA ASP A 33 -0.950 -12.196 -10.114 1.00 0.00 C ATOM 434 C ASP A 33 -1.495 -10.817 -10.473 1.00 0.00 C ATOM 435 O ASP A 33 -1.017 -10.174 -11.408 1.00 0.00 O ATOM 436 CB ASP A 33 -0.113 -12.744 -11.270 1.00 0.00 C ATOM 437 CG ASP A 33 -0.927 -12.937 -12.534 1.00 0.00 C ATOM 438 OD1 ASP A 33 -2.062 -13.448 -12.436 1.00 0.00 O ATOM 439 OD2 ASP A 33 -0.429 -12.578 -13.622 1.00 0.00 O ATOM 0 H ASP A 33 -2.657 -13.322 -10.575 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.317 -12.098 -9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.712 -12.061 -11.473 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.327 -13.697 -10.976 1.00 0.00 H new ATOM 444 N ALA A 34 -2.499 -10.369 -9.726 1.00 0.00 N ATOM 445 CA ALA A 34 -3.108 -9.067 -9.965 1.00 0.00 C ATOM 446 C ALA A 34 -3.698 -8.493 -8.681 1.00 0.00 C ATOM 447 O ALA A 34 -4.433 -9.173 -7.965 1.00 0.00 O ATOM 448 CB ALA A 34 -4.181 -9.176 -11.038 1.00 0.00 C ATOM 0 H ALA A 34 -2.908 -10.889 -8.950 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.330 -8.387 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.628 -8.196 -11.207 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.734 -9.535 -11.965 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.951 -9.875 -10.712 1.00 0.00 H new ATOM 454 N VAL A 35 -3.369 -7.237 -8.395 1.00 0.00 N ATOM 455 CA VAL A 35 -3.867 -6.571 -7.197 1.00 0.00 C ATOM 456 C VAL A 35 -4.188 -5.107 -7.475 1.00 0.00 C ATOM 457 O VAL A 35 -3.312 -4.330 -7.854 1.00 0.00 O ATOM 458 CB VAL A 35 -2.847 -6.651 -6.045 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.060 -5.510 -5.063 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.944 -7.996 -5.342 1.00 0.00 C ATOM 0 H VAL A 35 -2.760 -6.661 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.779 -7.091 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.845 -6.556 -6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.331 -5.583 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.936 -4.558 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.066 -5.570 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.217 -8.036 -4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.948 -8.123 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.737 -8.795 -6.054 1.00 0.00 H new ATOM 470 N ARG A 36 -5.451 -4.737 -7.285 1.00 0.00 N ATOM 471 CA ARG A 36 -5.889 -3.366 -7.517 1.00 0.00 C ATOM 472 C ARG A 36 -5.842 -2.555 -6.225 1.00 0.00 C ATOM 473 O ARG A 36 -6.685 -2.723 -5.344 1.00 0.00 O ATOM 474 CB ARG A 36 -7.307 -3.351 -8.090 1.00 0.00 C ATOM 475 CG ARG A 36 -7.925 -1.964 -8.149 1.00 0.00 C ATOM 476 CD ARG A 36 -7.226 -1.086 -9.176 1.00 0.00 C ATOM 477 NE ARG A 36 -7.817 -1.221 -10.505 1.00 0.00 N ATOM 478 CZ ARG A 36 -7.448 -0.490 -11.550 1.00 0.00 C ATOM 479 NH1 ARG A 36 -6.495 0.423 -11.423 1.00 0.00 N ATOM 480 NH2 ARG A 36 -8.033 -0.671 -12.728 1.00 0.00 N ATOM 0 H ARG A 36 -6.188 -5.368 -6.971 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.209 -2.911 -8.237 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.288 -3.774 -9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.942 -3.997 -7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.983 -2.046 -8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.865 -1.495 -7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.280 -0.044 -8.859 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.170 -1.351 -9.220 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.553 -1.915 -10.637 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.043 0.566 -10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.214 0.983 -12.228 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.767 -1.372 -12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.749 -0.109 -13.530 1.00 0.00 H new ATOM 494 N VAL A 37 -4.850 -1.676 -6.120 1.00 0.00 N ATOM 495 CA VAL A 37 -4.694 -0.838 -4.937 1.00 0.00 C ATOM 496 C VAL A 37 -5.224 0.569 -5.186 1.00 0.00 C ATOM 497 O VAL A 37 -4.666 1.322 -5.984 1.00 0.00 O ATOM 498 CB VAL A 37 -3.218 -0.750 -4.503 1.00 0.00 C ATOM 499 CG1 VAL A 37 -3.087 0.050 -3.216 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.628 -2.142 -4.338 1.00 0.00 C ATOM 0 H VAL A 37 -4.143 -1.526 -6.840 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.273 -1.305 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.658 -0.233 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.038 0.102 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.470 1.058 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.659 -0.436 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.585 -2.061 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.188 -2.687 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.687 -2.677 -5.286 1.00 0.00 H new ATOM 510 N SER A 38 -6.305 0.919 -4.496 1.00 0.00 N ATOM 511 CA SER A 38 -6.914 2.235 -4.645 1.00 0.00 C ATOM 512 C SER A 38 -7.045 2.929 -3.292 1.00 0.00 C ATOM 513 O SER A 38 -7.501 2.330 -2.317 1.00 0.00 O ATOM 514 CB SER A 38 -8.289 2.114 -5.304 1.00 0.00 C ATOM 515 OG SER A 38 -8.187 1.533 -6.592 1.00 0.00 O ATOM 0 H SER A 38 -6.777 0.309 -3.828 1.00 0.00 H new ATOM 0 HA SER A 38 -6.266 2.837 -5.282 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.944 1.507 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.747 3.100 -5.382 1.00 0.00 H new ATOM 0 HG SER A 38 -9.079 1.465 -6.992 1.00 0.00 H new ATOM 521 N TRP A 39 -6.642 4.193 -3.241 1.00 0.00 N ATOM 522 CA TRP A 39 -6.714 4.969 -2.008 1.00 0.00 C ATOM 523 C TRP A 39 -7.584 6.207 -2.194 1.00 0.00 C ATOM 524 O TRP A 39 -8.195 6.395 -3.246 1.00 0.00 O ATOM 525 CB TRP A 39 -5.312 5.379 -1.556 1.00 0.00 C ATOM 526 CG TRP A 39 -4.517 6.059 -2.630 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.245 7.394 -2.728 1.00 0.00 C ATOM 528 CD2 TRP A 39 -3.894 5.437 -3.759 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.490 7.639 -3.849 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.261 6.454 -4.499 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.808 4.119 -4.216 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.553 6.193 -5.669 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.105 3.861 -5.378 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.485 4.894 -6.093 1.00 0.00 C ATOM 0 H TRP A 39 -6.262 4.703 -4.039 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.166 4.342 -1.240 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.395 6.046 -0.698 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.773 4.493 -1.220 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.575 8.146 -2.027 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.154 8.554 -4.149 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.282 3.316 -3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.075 6.988 -6.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.033 2.846 -5.741 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.942 4.660 -6.997 1.00 0.00 H new ATOM 545 N ALA A 40 -7.636 7.049 -1.167 1.00 0.00 N ATOM 546 CA ALA A 40 -8.429 8.270 -1.220 1.00 0.00 C ATOM 547 C ALA A 40 -7.556 9.502 -1.006 1.00 0.00 C ATOM 548 O ALA A 40 -6.574 9.458 -0.266 1.00 0.00 O ATOM 549 CB ALA A 40 -9.540 8.223 -0.181 1.00 0.00 C ATOM 0 H ALA A 40 -7.138 6.907 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.875 8.341 -2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.125 9.142 -0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.188 7.369 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.104 8.125 0.813 1.00 0.00 H new ATOM 555 N ASP A 41 -7.920 10.600 -1.660 1.00 0.00 N ATOM 556 CA ASP A 41 -7.169 11.844 -1.542 1.00 0.00 C ATOM 557 C ASP A 41 -7.881 12.822 -0.611 1.00 0.00 C ATOM 558 O ASP A 41 -8.977 13.292 -0.910 1.00 0.00 O ATOM 559 CB ASP A 41 -6.976 12.481 -2.919 1.00 0.00 C ATOM 560 CG ASP A 41 -8.291 12.726 -3.633 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.253 11.972 -3.379 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.357 13.671 -4.447 1.00 0.00 O ATOM 0 H ASP A 41 -8.730 10.653 -2.277 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.192 11.611 -1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.445 13.426 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.349 11.833 -3.531 1.00 0.00 H new ATOM 753 N ARG A 54 0.604 16.796 -9.284 1.00 0.00 N ATOM 754 CA ARG A 54 1.335 15.957 -8.343 1.00 0.00 C ATOM 755 C ARG A 54 1.391 14.512 -8.832 1.00 0.00 C ATOM 756 O ARG A 54 0.444 14.015 -9.443 1.00 0.00 O ATOM 757 CB ARG A 54 0.682 16.013 -6.961 1.00 0.00 C ATOM 758 CG ARG A 54 0.164 17.393 -6.588 1.00 0.00 C ATOM 759 CD ARG A 54 -1.263 17.601 -7.071 1.00 0.00 C ATOM 760 NE ARG A 54 -1.749 18.947 -6.777 1.00 0.00 N ATOM 761 CZ ARG A 54 -2.113 19.348 -5.563 1.00 0.00 C ATOM 762 NH1 ARG A 54 -2.045 18.511 -4.537 1.00 0.00 N ATOM 763 NH2 ARG A 54 -2.545 20.588 -5.375 1.00 0.00 N ATOM 0 HA ARG A 54 2.353 16.339 -8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.145 15.303 -6.930 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.406 15.692 -6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.205 17.518 -5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.811 18.155 -7.022 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.311 17.425 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.916 16.868 -6.598 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.812 19.615 -7.545 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.713 17.557 -4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.325 18.821 -3.606 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.598 21.234 -6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.824 20.895 -4.443 1.00 0.00 H new ATOM 777 N LEU A 55 2.506 13.844 -8.560 1.00 0.00 N ATOM 778 CA LEU A 55 2.687 12.456 -8.973 1.00 0.00 C ATOM 779 C LEU A 55 2.536 11.511 -7.785 1.00 0.00 C ATOM 780 O LEU A 55 2.953 11.827 -6.670 1.00 0.00 O ATOM 781 CB LEU A 55 4.062 12.269 -9.617 1.00 0.00 C ATOM 782 CG LEU A 55 4.464 10.829 -9.934 1.00 0.00 C ATOM 783 CD1 LEU A 55 4.060 10.463 -11.354 1.00 0.00 C ATOM 784 CD2 LEU A 55 5.960 10.637 -9.738 1.00 0.00 C ATOM 0 H LEU A 55 3.299 14.240 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 55 1.915 12.217 -9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.089 12.845 -10.542 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.813 12.697 -8.953 1.00 0.00 H new ATOM 0 HG LEU A 55 3.940 10.166 -9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.354 9.434 -11.562 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.980 10.560 -11.461 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.556 11.132 -12.057 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.228 9.606 -9.968 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.503 11.310 -10.402 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.223 10.858 -8.703 1.00 0.00 H new ATOM 796 N TYR A 56 1.940 10.350 -8.031 1.00 0.00 N ATOM 797 CA TYR A 56 1.735 9.358 -6.982 1.00 0.00 C ATOM 798 C TYR A 56 2.475 8.064 -7.304 1.00 0.00 C ATOM 799 O TYR A 56 2.383 7.540 -8.415 1.00 0.00 O ATOM 800 CB TYR A 56 0.242 9.075 -6.805 1.00 0.00 C ATOM 801 CG TYR A 56 -0.497 10.164 -6.060 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.654 11.428 -6.614 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.036 9.928 -4.801 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.328 12.426 -5.937 1.00 0.00 C ATOM 805 CE2 TYR A 56 -1.713 10.920 -4.117 1.00 0.00 C ATOM 806 CZ TYR A 56 -1.856 12.167 -4.689 1.00 0.00 C ATOM 807 OH TYR A 56 -2.527 13.158 -4.011 1.00 0.00 O ATOM 0 H TYR A 56 1.590 10.072 -8.948 1.00 0.00 H new ATOM 0 HA TYR A 56 2.135 9.761 -6.052 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.213 8.945 -7.787 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.120 8.133 -6.270 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.242 11.634 -7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.924 8.953 -4.350 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.441 13.403 -6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.128 10.720 -3.140 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.837 12.812 -3.148 1.00 0.00 H new ATOM 817 N THR A 57 3.210 7.551 -6.322 1.00 0.00 N ATOM 818 CA THR A 57 3.967 6.318 -6.498 1.00 0.00 C ATOM 819 C THR A 57 3.375 5.185 -5.667 1.00 0.00 C ATOM 820 O THR A 57 2.747 5.422 -4.635 1.00 0.00 O ATOM 821 CB THR A 57 5.446 6.506 -6.109 1.00 0.00 C ATOM 822 OG1 THR A 57 5.981 7.663 -6.762 1.00 0.00 O ATOM 823 CG2 THR A 57 6.265 5.281 -6.486 1.00 0.00 C ATOM 0 H THR A 57 3.297 7.971 -5.396 1.00 0.00 H new ATOM 0 HA THR A 57 3.907 6.059 -7.555 1.00 0.00 H new ATOM 0 HB THR A 57 5.500 6.641 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.335 7.409 -7.640 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.306 5.437 -6.202 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.874 4.407 -5.965 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.203 5.119 -7.562 1.00 0.00 H new ATOM 831 N VAL A 58 3.580 3.954 -6.123 1.00 0.00 N ATOM 832 CA VAL A 58 3.067 2.783 -5.420 1.00 0.00 C ATOM 833 C VAL A 58 4.145 1.716 -5.273 1.00 0.00 C ATOM 834 O VAL A 58 4.606 1.144 -6.260 1.00 0.00 O ATOM 835 CB VAL A 58 1.855 2.176 -6.151 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.202 1.098 -5.299 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.853 3.261 -6.513 1.00 0.00 C ATOM 0 H VAL A 58 4.097 3.741 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 58 2.754 3.118 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 58 2.204 1.714 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.348 0.681 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.924 0.307 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.865 1.532 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.003 2.814 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.507 3.755 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.329 3.993 -7.165 1.00 0.00 H new ATOM 847 N ARG A 59 4.542 1.451 -4.032 1.00 0.00 N ATOM 848 CA ARG A 59 5.567 0.452 -3.755 1.00 0.00 C ATOM 849 C ARG A 59 4.960 -0.777 -3.083 1.00 0.00 C ATOM 850 O ARG A 59 3.961 -0.678 -2.372 1.00 0.00 O ATOM 851 CB ARG A 59 6.660 1.045 -2.864 1.00 0.00 C ATOM 852 CG ARG A 59 6.244 1.202 -1.411 1.00 0.00 C ATOM 853 CD ARG A 59 7.069 2.267 -0.707 1.00 0.00 C ATOM 854 NE ARG A 59 8.429 1.812 -0.430 1.00 0.00 N ATOM 855 CZ ARG A 59 8.744 1.011 0.581 1.00 0.00 C ATOM 856 NH1 ARG A 59 7.801 0.577 1.407 1.00 0.00 N ATOM 857 NH2 ARG A 59 10.004 0.640 0.768 1.00 0.00 N ATOM 0 H ARG A 59 4.169 1.914 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 59 6.007 0.147 -4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.543 0.407 -2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.949 2.020 -3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.188 1.466 -1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.360 0.250 -0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.106 3.164 -1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.582 2.544 0.228 1.00 0.00 H new ATOM 0 HE ARG A 59 9.178 2.127 -1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.831 0.859 1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.046 -0.038 2.183 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.732 0.970 0.135 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.244 0.025 1.545 1.00 0.00 H new ATOM 871 N TRP A 60 5.572 -1.933 -3.315 1.00 0.00 N ATOM 872 CA TRP A 60 5.091 -3.181 -2.733 1.00 0.00 C ATOM 873 C TRP A 60 6.193 -4.235 -2.719 1.00 0.00 C ATOM 874 O TRP A 60 7.022 -4.291 -3.628 1.00 0.00 O ATOM 875 CB TRP A 60 3.882 -3.700 -3.513 1.00 0.00 C ATOM 876 CG TRP A 60 4.205 -4.078 -4.927 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.643 -5.293 -5.371 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.118 -3.234 -6.081 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.833 -5.256 -6.731 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.517 -4.004 -7.191 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.740 -1.904 -6.285 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.549 -3.487 -8.483 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.773 -1.392 -7.568 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.174 -2.182 -8.653 1.00 0.00 C ATOM 0 H TRP A 60 6.401 -2.032 -3.901 1.00 0.00 H new ATOM 0 HA TRP A 60 4.791 -2.981 -1.704 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.471 -4.568 -2.997 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.106 -2.935 -3.517 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.815 -6.156 -4.745 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.157 -6.034 -7.305 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.428 -1.288 -5.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.859 -4.094 -9.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.485 -0.365 -7.737 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.187 -1.752 -9.644 1.00 0.00 H new ATOM 895 N ARG A 61 6.196 -5.069 -1.684 1.00 0.00 N ATOM 896 CA ARG A 61 7.197 -6.120 -1.553 1.00 0.00 C ATOM 897 C ARG A 61 6.697 -7.237 -0.642 1.00 0.00 C ATOM 898 O ARG A 61 5.948 -6.992 0.305 1.00 0.00 O ATOM 899 CB ARG A 61 8.504 -5.544 -1.003 1.00 0.00 C ATOM 900 CG ARG A 61 8.560 -5.505 0.516 1.00 0.00 C ATOM 901 CD ARG A 61 9.505 -6.562 1.065 1.00 0.00 C ATOM 902 NE ARG A 61 9.916 -6.269 2.436 1.00 0.00 N ATOM 903 CZ ARG A 61 9.090 -6.310 3.475 1.00 0.00 C ATOM 904 NH1 ARG A 61 7.815 -6.631 3.301 1.00 0.00 N ATOM 905 NH2 ARG A 61 9.539 -6.031 4.692 1.00 0.00 N ATOM 0 H ARG A 61 5.516 -5.037 -0.924 1.00 0.00 H new ATOM 0 HA ARG A 61 7.381 -6.537 -2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.338 -6.139 -1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.637 -4.533 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.886 -4.518 0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.561 -5.662 0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.017 -7.536 1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.387 -6.626 0.428 1.00 0.00 H new ATOM 0 HE ARG A 61 10.891 -6.019 2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.466 -6.847 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.183 -6.662 4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.519 -5.785 4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.904 -6.063 5.490 1.00 0.00 H new ATOM 919 N THR A 62 7.116 -8.464 -0.933 1.00 0.00 N ATOM 920 CA THR A 62 6.710 -9.619 -0.141 1.00 0.00 C ATOM 921 C THR A 62 6.545 -9.247 1.328 1.00 0.00 C ATOM 922 O THR A 62 7.446 -8.672 1.937 1.00 0.00 O ATOM 923 CB THR A 62 7.730 -10.767 -0.258 1.00 0.00 C ATOM 924 OG1 THR A 62 9.062 -10.241 -0.253 1.00 0.00 O ATOM 925 CG2 THR A 62 7.500 -11.568 -1.530 1.00 0.00 C ATOM 0 H THR A 62 7.737 -8.684 -1.712 1.00 0.00 H new ATOM 0 HA THR A 62 5.752 -9.954 -0.538 1.00 0.00 H new ATOM 0 HB THR A 62 7.598 -11.429 0.598 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.705 -10.977 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.232 -12.373 -1.590 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.496 -11.991 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.607 -10.915 -2.396 1.00 0.00 H new ATOM 933 N SER A 63 5.388 -9.580 1.892 1.00 0.00 N ATOM 934 CA SER A 63 5.104 -9.279 3.290 1.00 0.00 C ATOM 935 C SER A 63 5.794 -10.280 4.212 1.00 0.00 C ATOM 936 O SER A 63 5.525 -11.480 4.157 1.00 0.00 O ATOM 937 CB SER A 63 3.595 -9.293 3.540 1.00 0.00 C ATOM 938 OG SER A 63 3.080 -10.612 3.479 1.00 0.00 O ATOM 0 H SER A 63 4.632 -10.058 1.402 1.00 0.00 H new ATOM 0 HA SER A 63 5.492 -8.284 3.508 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.381 -8.861 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.095 -8.669 2.799 1.00 0.00 H new ATOM 0 HG SER A 63 3.042 -10.906 2.545 1.00 0.00 H new ATOM 1028 N TYR A 70 12.075 -3.811 -2.688 1.00 0.00 N ATOM 1029 CA TYR A 70 10.886 -2.967 -2.650 1.00 0.00 C ATOM 1030 C TYR A 70 10.581 -2.395 -4.031 1.00 0.00 C ATOM 1031 O TYR A 70 11.313 -1.545 -4.540 1.00 0.00 O ATOM 1032 CB TYR A 70 11.073 -1.830 -1.644 1.00 0.00 C ATOM 1033 CG TYR A 70 10.500 -2.131 -0.278 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.263 -2.767 0.693 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.195 -1.777 0.043 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.744 -3.044 1.943 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.667 -2.049 1.291 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.445 -2.683 2.237 1.00 0.00 C ATOM 1039 OH TYR A 70 8.924 -2.956 3.481 1.00 0.00 O ATOM 0 HA TYR A 70 10.043 -3.584 -2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.137 -1.616 -1.543 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.602 -0.928 -2.036 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.280 -3.050 0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.583 -1.281 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.351 -3.540 2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.651 -1.767 1.524 1.00 0.00 H new ATOM 0 HH TYR A 70 7.980 -3.203 3.393 1.00 0.00 H new ATOM 1049 N LYS A 71 9.493 -2.865 -4.632 1.00 0.00 N ATOM 1050 CA LYS A 71 9.087 -2.401 -5.953 1.00 0.00 C ATOM 1051 C LYS A 71 8.430 -1.027 -5.869 1.00 0.00 C ATOM 1052 O LYS A 71 8.074 -0.564 -4.785 1.00 0.00 O ATOM 1053 CB LYS A 71 8.122 -3.401 -6.594 1.00 0.00 C ATOM 1054 CG LYS A 71 8.183 -3.419 -8.111 1.00 0.00 C ATOM 1055 CD LYS A 71 7.602 -4.704 -8.677 1.00 0.00 C ATOM 1056 CE LYS A 71 7.652 -4.715 -10.197 1.00 0.00 C ATOM 1057 NZ LYS A 71 6.798 -5.792 -10.772 1.00 0.00 N ATOM 0 H LYS A 71 8.876 -3.568 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 71 9.980 -2.320 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.344 -4.400 -6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.105 -3.162 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.635 -2.565 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.218 -3.313 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.156 -5.558 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.570 -4.815 -8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.323 -3.748 -10.578 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.682 -4.854 -10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.859 -5.766 -11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.127 -6.717 -10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.811 -5.646 -10.480 1.00 0.00 H new ATOM 1071 N SER A 72 8.272 -0.379 -7.019 1.00 0.00 N ATOM 1072 CA SER A 72 7.659 0.943 -7.074 1.00 0.00 C ATOM 1073 C SER A 72 7.175 1.259 -8.486 1.00 0.00 C ATOM 1074 O SER A 72 7.823 0.902 -9.469 1.00 0.00 O ATOM 1075 CB SER A 72 8.655 2.009 -6.613 1.00 0.00 C ATOM 1076 OG SER A 72 9.569 1.479 -5.668 1.00 0.00 O ATOM 0 H SER A 72 8.560 -0.748 -7.925 1.00 0.00 H new ATOM 0 HA SER A 72 6.799 0.946 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.201 2.397 -7.473 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.116 2.848 -6.172 1.00 0.00 H new ATOM 0 HG SER A 72 10.195 2.180 -5.390 1.00 0.00 H new ATOM 1082 N GLU A 73 6.032 1.931 -8.576 1.00 0.00 N ATOM 1083 CA GLU A 73 5.460 2.295 -9.867 1.00 0.00 C ATOM 1084 C GLU A 73 4.751 3.643 -9.788 1.00 0.00 C ATOM 1085 O GLU A 73 3.969 3.892 -8.870 1.00 0.00 O ATOM 1086 CB GLU A 73 4.481 1.218 -10.338 1.00 0.00 C ATOM 1087 CG GLU A 73 4.184 1.273 -11.827 1.00 0.00 C ATOM 1088 CD GLU A 73 3.261 2.419 -12.195 1.00 0.00 C ATOM 1089 OE1 GLU A 73 2.481 2.856 -11.323 1.00 0.00 O ATOM 1090 OE2 GLU A 73 3.317 2.877 -13.355 1.00 0.00 O ATOM 0 H GLU A 73 5.484 2.234 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 73 6.275 2.375 -10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.888 0.237 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.547 1.322 -9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.120 1.374 -12.377 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.731 0.332 -12.139 1.00 0.00 H new ATOM 1097 N ASP A 74 5.030 4.510 -10.755 1.00 0.00 N ATOM 1098 CA ASP A 74 4.418 5.833 -10.796 1.00 0.00 C ATOM 1099 C ASP A 74 3.089 5.795 -11.543 1.00 0.00 C ATOM 1100 O ASP A 74 2.957 5.121 -12.565 1.00 0.00 O ATOM 1101 CB ASP A 74 5.363 6.834 -11.463 1.00 0.00 C ATOM 1102 CG ASP A 74 6.510 7.239 -10.558 1.00 0.00 C ATOM 1103 OD1 ASP A 74 6.344 7.172 -9.322 1.00 0.00 O ATOM 1104 OD2 ASP A 74 7.575 7.621 -11.086 1.00 0.00 O ATOM 0 H ASP A 74 5.676 4.320 -11.521 1.00 0.00 H new ATOM 0 HA ASP A 74 4.228 6.150 -9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.763 6.397 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.801 7.722 -11.752 1.00 0.00 H new ATOM 1109 N THR A 75 2.104 6.522 -11.025 1.00 0.00 N ATOM 1110 CA THR A 75 0.783 6.570 -11.640 1.00 0.00 C ATOM 1111 C THR A 75 0.091 7.897 -11.355 1.00 0.00 C ATOM 1112 O THR A 75 0.178 8.430 -10.248 1.00 0.00 O ATOM 1113 CB THR A 75 -0.111 5.419 -11.141 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.382 5.466 -11.798 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.310 5.504 -9.635 1.00 0.00 C ATOM 0 H THR A 75 2.196 7.086 -10.180 1.00 0.00 H new ATOM 0 HA THR A 75 0.931 6.465 -12.715 1.00 0.00 H new ATOM 0 HB THR A 75 0.383 4.476 -11.374 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.944 4.730 -11.477 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.944 4.681 -9.305 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.657 5.439 -9.136 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.785 6.452 -9.384 1.00 0.00 H new ATOM 1123 N THR A 76 -0.598 8.429 -12.360 1.00 0.00 N ATOM 1124 CA THR A 76 -1.305 9.695 -12.218 1.00 0.00 C ATOM 1125 C THR A 76 -2.755 9.471 -11.803 1.00 0.00 C ATOM 1126 O THR A 76 -3.639 10.251 -12.157 1.00 0.00 O ATOM 1127 CB THR A 76 -1.277 10.505 -13.527 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.607 9.659 -14.634 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.094 11.127 -13.750 1.00 0.00 C ATOM 0 H THR A 76 -0.681 8.001 -13.282 1.00 0.00 H new ATOM 0 HA THR A 76 -0.790 10.259 -11.440 1.00 0.00 H new ATOM 0 HB THR A 76 -2.013 11.305 -13.449 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.589 10.182 -15.462 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.089 11.694 -14.681 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.331 11.793 -12.920 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.846 10.340 -13.809 1.00 0.00 H new ATOM 1137 N SER A 77 -2.992 8.402 -11.050 1.00 0.00 N ATOM 1138 CA SER A 77 -4.336 8.074 -10.589 1.00 0.00 C ATOM 1139 C SER A 77 -4.307 7.557 -9.154 1.00 0.00 C ATOM 1140 O SER A 77 -3.244 7.251 -8.613 1.00 0.00 O ATOM 1141 CB SER A 77 -4.972 7.029 -11.507 1.00 0.00 C ATOM 1142 OG SER A 77 -5.179 7.551 -12.808 1.00 0.00 O ATOM 0 H SER A 77 -2.271 7.748 -10.746 1.00 0.00 H new ATOM 0 HA SER A 77 -4.935 8.984 -10.617 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.330 6.150 -11.562 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.923 6.703 -11.087 1.00 0.00 H new ATOM 0 HG SER A 77 -5.585 6.863 -13.376 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.483 7.462 -8.543 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.595 6.982 -7.170 1.00 0.00 C ATOM 1150 C LEU A 78 -5.862 5.481 -7.138 1.00 0.00 C ATOM 1151 O LEU A 78 -6.436 4.962 -6.180 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.713 7.726 -6.438 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.518 9.233 -6.269 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -7.851 9.919 -6.015 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.544 9.521 -5.135 1.00 0.00 C ATOM 0 H LEU A 78 -6.372 7.711 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.648 7.175 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.646 7.559 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.831 7.282 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.098 9.631 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.692 10.991 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.518 9.742 -6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.300 9.517 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.417 10.598 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.936 9.109 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.581 9.062 -5.358 1.00 0.00 H new ATOM 1167 N SER A 79 -5.440 4.788 -8.191 1.00 0.00 N ATOM 1168 CA SER A 79 -5.635 3.345 -8.284 1.00 0.00 C ATOM 1169 C SER A 79 -4.573 2.710 -9.177 1.00 0.00 C ATOM 1170 O SER A 79 -4.295 3.198 -10.272 1.00 0.00 O ATOM 1171 CB SER A 79 -7.030 3.032 -8.830 1.00 0.00 C ATOM 1172 OG SER A 79 -7.120 3.347 -10.208 1.00 0.00 O ATOM 0 H SER A 79 -4.961 5.202 -8.991 1.00 0.00 H new ATOM 0 HA SER A 79 -5.542 2.925 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.254 1.976 -8.680 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.777 3.599 -8.275 1.00 0.00 H new ATOM 0 HG SER A 79 -6.222 3.509 -10.566 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.983 1.620 -8.699 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.950 0.919 -9.451 1.00 0.00 C ATOM 1180 C TYR A 80 -3.224 -0.581 -9.486 1.00 0.00 C ATOM 1181 O TYR A 80 -3.819 -1.138 -8.562 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.574 1.183 -8.836 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.448 0.459 -9.539 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.128 0.982 -10.691 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.040 -0.747 -9.053 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.157 0.325 -11.337 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.070 -1.411 -9.692 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.624 -0.871 -10.833 1.00 0.00 C ATOM 1189 OH TYR A 80 2.649 -1.530 -11.473 1.00 0.00 O ATOM 0 H TYR A 80 -4.203 1.203 -7.794 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.962 1.296 -10.474 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.375 2.255 -8.857 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.590 0.883 -7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.235 1.918 -11.088 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.393 -1.173 -8.160 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.593 0.745 -12.231 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.439 -2.347 -9.300 1.00 0.00 H new ATOM 0 HH TYR A 80 2.881 -2.339 -10.972 1.00 0.00 H new ATOM 1199 N THR A 81 -2.787 -1.232 -10.560 1.00 0.00 N ATOM 1200 CA THR A 81 -2.985 -2.667 -10.717 1.00 0.00 C ATOM 1201 C THR A 81 -1.653 -3.408 -10.735 1.00 0.00 C ATOM 1202 O THR A 81 -0.987 -3.482 -11.767 1.00 0.00 O ATOM 1203 CB THR A 81 -3.755 -2.989 -12.012 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.901 -2.138 -12.125 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.195 -4.445 -12.032 1.00 0.00 C ATOM 0 H THR A 81 -2.293 -0.787 -11.334 1.00 0.00 H new ATOM 0 HA THR A 81 -3.571 -3.000 -9.861 1.00 0.00 H new ATOM 0 HB THR A 81 -3.089 -2.815 -12.857 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.384 -2.348 -12.951 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.737 -4.649 -12.956 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.319 -5.091 -11.975 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.845 -4.640 -11.179 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.270 -3.954 -9.585 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.018 -4.692 -9.470 1.00 0.00 C ATOM 1215 C ALA A 82 -0.116 -6.050 -10.155 1.00 0.00 C ATOM 1216 O ALA A 82 -0.742 -6.975 -9.638 1.00 0.00 O ATOM 1217 CB ALA A 82 0.360 -4.863 -8.006 1.00 0.00 C ATOM 0 H ALA A 82 -1.809 -3.899 -8.720 1.00 0.00 H new ATOM 0 HA ALA A 82 0.761 -4.118 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.297 -5.416 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.481 -3.883 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.426 -5.413 -7.489 1.00 0.00 H new ATOM 1223 N THR A 83 0.507 -6.164 -11.324 1.00 0.00 N ATOM 1224 CA THR A 83 0.489 -7.409 -12.082 1.00 0.00 C ATOM 1225 C THR A 83 1.830 -8.129 -11.990 1.00 0.00 C ATOM 1226 O THR A 83 2.853 -7.518 -11.686 1.00 0.00 O ATOM 1227 CB THR A 83 0.154 -7.160 -13.564 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.243 -6.487 -14.206 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.113 -6.329 -13.701 1.00 0.00 C ATOM 0 H THR A 83 1.031 -5.409 -11.766 1.00 0.00 H new ATOM 0 HA THR A 83 -0.287 -8.035 -11.642 1.00 0.00 H new ATOM 0 HB THR A 83 -0.010 -8.125 -14.043 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.023 -6.334 -15.149 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.329 -6.166 -14.757 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.946 -6.857 -13.237 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.973 -5.368 -13.207 1.00 0.00 H new ATOM 1237 N GLY A 84 1.817 -9.432 -12.255 1.00 0.00 N ATOM 1238 CA GLY A 84 3.038 -10.213 -12.197 1.00 0.00 C ATOM 1239 C GLY A 84 3.509 -10.449 -10.775 1.00 0.00 C ATOM 1240 O GLY A 84 4.680 -10.241 -10.459 1.00 0.00 O ATOM 0 H GLY A 84 0.982 -9.960 -12.509 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.875 -11.173 -12.686 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.821 -9.700 -12.755 1.00 0.00 H new ATOM 1244 N LEU A 85 2.593 -10.883 -9.916 1.00 0.00 N ATOM 1245 CA LEU A 85 2.920 -11.146 -8.519 1.00 0.00 C ATOM 1246 C LEU A 85 2.960 -12.646 -8.242 1.00 0.00 C ATOM 1247 O LEU A 85 2.820 -13.461 -9.154 1.00 0.00 O ATOM 1248 CB LEU A 85 1.899 -10.473 -7.600 1.00 0.00 C ATOM 1249 CG LEU A 85 1.313 -9.153 -8.101 1.00 0.00 C ATOM 1250 CD1 LEU A 85 -0.084 -8.941 -7.539 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.222 -7.991 -7.728 1.00 0.00 C ATOM 0 H LEU A 85 1.619 -11.060 -10.162 1.00 0.00 H new ATOM 0 HA LEU A 85 3.908 -10.732 -8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.079 -11.170 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.372 -10.294 -6.634 1.00 0.00 H new ATOM 0 HG LEU A 85 1.241 -9.199 -9.188 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.485 -7.996 -7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.732 -9.758 -7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.038 -8.916 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.790 -7.059 -8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.326 -7.943 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.203 -8.137 -8.180 1.00 0.00 H new ATOM 1263 N LYS A 86 3.149 -13.004 -6.976 1.00 0.00 N ATOM 1264 CA LYS A 86 3.203 -14.405 -6.577 1.00 0.00 C ATOM 1265 C LYS A 86 1.849 -14.875 -6.057 1.00 0.00 C ATOM 1266 O LYS A 86 1.198 -14.205 -5.254 1.00 0.00 O ATOM 1267 CB LYS A 86 4.273 -14.609 -5.502 1.00 0.00 C ATOM 1268 CG LYS A 86 4.617 -16.068 -5.255 1.00 0.00 C ATOM 1269 CD LYS A 86 5.451 -16.239 -3.997 1.00 0.00 C ATOM 1270 CE LYS A 86 6.896 -15.824 -4.225 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.838 -16.607 -3.378 1.00 0.00 N ATOM 0 H LYS A 86 3.267 -12.342 -6.209 1.00 0.00 H new ATOM 0 HA LYS A 86 3.461 -14.997 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.177 -14.076 -5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.929 -14.163 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.699 -16.649 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.163 -16.464 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.023 -15.642 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.417 -17.280 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.152 -15.962 -5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.008 -14.762 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.813 -16.294 -3.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.610 -16.456 -2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.750 -17.618 -3.605 1.00 0.00 H new ATOM 1285 N PRO A 87 1.413 -16.056 -6.522 1.00 0.00 N ATOM 1286 CA PRO A 87 0.132 -16.642 -6.115 1.00 0.00 C ATOM 1287 C PRO A 87 0.143 -17.108 -4.663 1.00 0.00 C ATOM 1288 O PRO A 87 1.186 -17.486 -4.130 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.026 -17.838 -7.058 1.00 0.00 C ATOM 1290 CG PRO A 87 1.366 -18.199 -7.447 1.00 0.00 C ATOM 1291 CD PRO A 87 2.136 -16.908 -7.480 1.00 0.00 C ATOM 0 HA PRO A 87 -0.684 -15.921 -6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.527 -18.670 -6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.626 -17.578 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.803 -18.895 -6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.384 -18.689 -8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.175 -17.052 -7.185 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.146 -16.471 -8.479 1.00 0.00 H new ATOM 1299 N ASN A 88 -1.024 -17.077 -4.027 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.148 -17.496 -2.636 1.00 0.00 C ATOM 1301 C ASN A 88 -0.120 -16.785 -1.760 1.00 0.00 C ATOM 1302 O ASN A 88 0.292 -17.303 -0.722 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.972 -19.011 -2.520 1.00 0.00 C ATOM 1304 CG ASN A 88 -1.748 -19.596 -1.356 1.00 0.00 C ATOM 1305 OD1 ASN A 88 -3.035 -19.843 -1.567 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 -1.196 -19.823 -0.279 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.897 -16.766 -4.453 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.145 -17.225 -2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.300 -19.484 -3.446 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.086 -19.243 -2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.204 -19.618 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.731 -20.217 0.495 1.00 0.00 H new ATOM 1313 N THR A 89 0.290 -15.594 -2.186 1.00 0.00 N ATOM 1314 CA THR A 89 1.269 -14.812 -1.442 1.00 0.00 C ATOM 1315 C THR A 89 0.822 -13.361 -1.303 1.00 0.00 C ATOM 1316 O THR A 89 0.416 -12.731 -2.278 1.00 0.00 O ATOM 1317 CB THR A 89 2.651 -14.848 -2.122 1.00 0.00 C ATOM 1318 OG1 THR A 89 3.014 -16.201 -2.422 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.710 -14.220 -1.229 1.00 0.00 C ATOM 0 H THR A 89 -0.041 -15.150 -3.043 1.00 0.00 H new ATOM 0 HA THR A 89 1.347 -15.262 -0.452 1.00 0.00 H new ATOM 0 HB THR A 89 2.592 -14.274 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.416 -16.554 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.677 -14.257 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.446 -13.182 -1.026 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.767 -14.770 -0.290 1.00 0.00 H new ATOM 1327 N MET A 90 0.901 -12.838 -0.084 1.00 0.00 N ATOM 1328 CA MET A 90 0.506 -11.459 0.183 1.00 0.00 C ATOM 1329 C MET A 90 1.730 -10.568 0.366 1.00 0.00 C ATOM 1330 O MET A 90 2.792 -11.034 0.781 1.00 0.00 O ATOM 1331 CB MET A 90 -0.380 -11.391 1.428 1.00 0.00 C ATOM 1332 CG MET A 90 -0.801 -9.978 1.799 1.00 0.00 C ATOM 1333 SD MET A 90 0.328 -9.202 2.971 1.00 0.00 S ATOM 1334 CE MET A 90 0.104 -10.254 4.404 1.00 0.00 C ATOM 0 H MET A 90 1.235 -13.347 0.734 1.00 0.00 H new ATOM 0 HA MET A 90 -0.059 -11.097 -0.676 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.272 -11.995 1.262 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.154 -11.835 2.268 1.00 0.00 H new ATOM 0 HG2 MET A 90 -0.855 -9.370 0.896 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.803 -10.002 2.227 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.371 -9.702 5.306 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.938 -10.568 4.466 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.743 -11.132 4.314 1.00 0.00 H new ATOM 1344 N TYR A 91 1.576 -9.287 0.054 1.00 0.00 N ATOM 1345 CA TYR A 91 2.670 -8.331 0.181 1.00 0.00 C ATOM 1346 C TYR A 91 2.184 -7.025 0.802 1.00 0.00 C ATOM 1347 O TYR A 91 1.032 -6.916 1.221 1.00 0.00 O ATOM 1348 CB TYR A 91 3.298 -8.057 -1.186 1.00 0.00 C ATOM 1349 CG TYR A 91 2.927 -9.078 -2.238 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.268 -10.416 -2.087 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.236 -8.704 -3.385 1.00 0.00 C ATOM 1352 CE1 TYR A 91 2.932 -11.352 -3.046 1.00 0.00 C ATOM 1353 CE2 TYR A 91 1.895 -9.633 -4.348 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.245 -10.956 -4.174 1.00 0.00 C ATOM 1355 OH TYR A 91 1.908 -11.884 -5.132 1.00 0.00 O ATOM 0 H TYR A 91 0.703 -8.885 -0.289 1.00 0.00 H new ATOM 0 HA TYR A 91 3.423 -8.766 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.990 -7.068 -1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.383 -8.034 -1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.805 -10.730 -1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.961 -7.669 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.206 -12.388 -2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.357 -9.326 -5.233 1.00 0.00 H new ATOM 0 HH TYR A 91 1.468 -12.649 -4.706 1.00 0.00 H new ATOM 1365 N GLU A 92 3.070 -6.037 0.855 1.00 0.00 N ATOM 1366 CA GLU A 92 2.732 -4.737 1.424 1.00 0.00 C ATOM 1367 C GLU A 92 2.417 -3.727 0.324 1.00 0.00 C ATOM 1368 O GLU A 92 3.020 -3.753 -0.749 1.00 0.00 O ATOM 1369 CB GLU A 92 3.881 -4.221 2.292 1.00 0.00 C ATOM 1370 CG GLU A 92 3.968 -4.894 3.651 1.00 0.00 C ATOM 1371 CD GLU A 92 5.141 -4.400 4.474 1.00 0.00 C ATOM 1372 OE1 GLU A 92 6.055 -3.781 3.889 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.147 -4.632 5.700 1.00 0.00 O ATOM 0 H GLU A 92 4.027 -6.111 0.511 1.00 0.00 H new ATOM 0 HA GLU A 92 1.845 -4.860 2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.821 -4.370 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.763 -3.147 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.043 -4.716 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.054 -5.972 3.513 1.00 0.00 H new ATOM 1380 N PHE A 93 1.468 -2.839 0.599 1.00 0.00 N ATOM 1381 CA PHE A 93 1.070 -1.821 -0.367 1.00 0.00 C ATOM 1382 C PHE A 93 0.964 -0.452 0.299 1.00 0.00 C ATOM 1383 O PHE A 93 0.414 -0.323 1.393 1.00 0.00 O ATOM 1384 CB PHE A 93 -0.267 -2.192 -1.011 1.00 0.00 C ATOM 1385 CG PHE A 93 -0.198 -3.425 -1.866 1.00 0.00 C ATOM 1386 CD1 PHE A 93 -0.228 -4.686 -1.292 1.00 0.00 C ATOM 1387 CD2 PHE A 93 -0.104 -3.323 -3.245 1.00 0.00 C ATOM 1388 CE1 PHE A 93 -0.164 -5.821 -2.077 1.00 0.00 C ATOM 1389 CE2 PHE A 93 -0.040 -4.455 -4.035 1.00 0.00 C ATOM 1390 CZ PHE A 93 -0.071 -5.706 -3.450 1.00 0.00 C ATOM 0 H PHE A 93 0.960 -2.803 1.483 1.00 0.00 H new ATOM 0 HA PHE A 93 1.836 -1.772 -1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.009 -2.344 -0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.613 -1.356 -1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.302 -4.783 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.080 -2.347 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.187 -6.798 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.034 -4.362 -5.108 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.023 -6.592 -4.065 1.00 0.00 H new ATOM 1400 N SER A 94 1.495 0.567 -0.369 1.00 0.00 N ATOM 1401 CA SER A 94 1.465 1.926 0.159 1.00 0.00 C ATOM 1402 C SER A 94 1.274 2.941 -0.964 1.00 0.00 C ATOM 1403 O SER A 94 1.127 2.574 -2.130 1.00 0.00 O ATOM 1404 CB SER A 94 2.756 2.229 0.921 1.00 0.00 C ATOM 1405 OG SER A 94 2.531 3.178 1.949 1.00 0.00 O ATOM 0 H SER A 94 1.951 0.477 -1.277 1.00 0.00 H new ATOM 0 HA SER A 94 0.621 2.004 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.152 1.309 1.351 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.509 2.608 0.230 1.00 0.00 H new ATOM 0 HG SER A 94 1.797 2.872 2.522 1.00 0.00 H new ATOM 1411 N VAL A 95 1.276 4.220 -0.604 1.00 0.00 N ATOM 1412 CA VAL A 95 1.104 5.290 -1.580 1.00 0.00 C ATOM 1413 C VAL A 95 1.731 6.589 -1.087 1.00 0.00 C ATOM 1414 O VAL A 95 1.711 6.887 0.106 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.385 5.536 -1.887 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.542 6.641 -2.920 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.049 4.252 -2.363 1.00 0.00 C ATOM 0 H VAL A 95 1.395 4.541 0.357 1.00 0.00 H new ATOM 0 HA VAL A 95 1.607 4.970 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.879 5.856 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.601 6.801 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.103 7.562 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.034 6.353 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.101 4.443 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.554 3.900 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.968 3.491 -1.587 1.00 0.00 H new ATOM 1427 N MET A 96 2.288 7.360 -2.016 1.00 0.00 N ATOM 1428 CA MET A 96 2.921 8.629 -1.676 1.00 0.00 C ATOM 1429 C MET A 96 2.751 9.641 -2.805 1.00 0.00 C ATOM 1430 O MET A 96 2.265 9.305 -3.885 1.00 0.00 O ATOM 1431 CB MET A 96 4.407 8.421 -1.381 1.00 0.00 C ATOM 1432 CG MET A 96 5.174 7.799 -2.537 1.00 0.00 C ATOM 1433 SD MET A 96 5.789 9.029 -3.704 1.00 0.00 S ATOM 1434 CE MET A 96 7.201 9.669 -2.809 1.00 0.00 C ATOM 0 H MET A 96 2.314 7.128 -3.009 1.00 0.00 H new ATOM 0 HA MET A 96 2.433 9.021 -0.784 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.858 9.382 -1.132 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.509 7.783 -0.503 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.013 7.225 -2.144 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.526 7.097 -3.062 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.968 9.983 -3.517 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.893 10.523 -2.205 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.603 8.891 -2.159 1.00 0.00 H new ATOM 1444 N VAL A 97 3.155 10.881 -2.549 1.00 0.00 N ATOM 1445 CA VAL A 97 3.049 11.941 -3.545 1.00 0.00 C ATOM 1446 C VAL A 97 4.304 12.807 -3.562 1.00 0.00 C ATOM 1447 O VAL A 97 4.884 13.100 -2.516 1.00 0.00 O ATOM 1448 CB VAL A 97 1.824 12.836 -3.282 1.00 0.00 C ATOM 1449 CG1 VAL A 97 1.837 13.354 -1.852 1.00 0.00 C ATOM 1450 CG2 VAL A 97 1.784 13.989 -4.274 1.00 0.00 C ATOM 0 H VAL A 97 3.559 11.177 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 97 2.934 11.455 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 97 0.923 12.237 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.964 13.984 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.814 12.512 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.743 13.937 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.912 14.611 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.689 14.588 -4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.723 13.594 -5.288 1.00 0.00 H new ATOM 1460 N THR A 98 4.718 13.215 -4.757 1.00 0.00 N ATOM 1461 CA THR A 98 5.905 14.047 -4.911 1.00 0.00 C ATOM 1462 C THR A 98 5.558 15.384 -5.557 1.00 0.00 C ATOM 1463 O THR A 98 5.480 15.492 -6.781 1.00 0.00 O ATOM 1464 CB THR A 98 6.979 13.342 -5.761 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.303 12.072 -5.185 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.235 14.194 -5.861 1.00 0.00 C ATOM 0 H THR A 98 4.249 12.983 -5.633 1.00 0.00 H new ATOM 0 HA THR A 98 6.301 14.221 -3.911 1.00 0.00 H new ATOM 0 HB THR A 98 6.578 13.194 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.985 11.629 -5.732 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.979 13.676 -6.466 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.991 15.149 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.637 14.369 -4.863 1.00 0.00 H new ATOM 1474 N LYS A 99 5.352 16.401 -4.728 1.00 0.00 N ATOM 1475 CA LYS A 99 5.016 17.732 -5.218 1.00 0.00 C ATOM 1476 C LYS A 99 5.978 18.776 -4.660 1.00 0.00 C ATOM 1477 O LYS A 99 6.424 18.675 -3.518 1.00 0.00 O ATOM 1478 CB LYS A 99 3.578 18.092 -4.834 1.00 0.00 C ATOM 1479 CG LYS A 99 2.959 19.155 -5.723 1.00 0.00 C ATOM 1480 CD LYS A 99 1.687 19.721 -5.114 1.00 0.00 C ATOM 1481 CE LYS A 99 1.987 20.881 -4.177 1.00 0.00 C ATOM 1482 NZ LYS A 99 0.763 21.358 -3.475 1.00 0.00 N ATOM 0 H LYS A 99 5.412 16.329 -3.712 1.00 0.00 H new ATOM 0 HA LYS A 99 5.105 17.725 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.964 17.193 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.563 18.440 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.676 19.960 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.736 18.728 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.020 20.056 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.163 18.936 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.730 20.571 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.424 21.703 -4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.009 22.149 -2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.063 21.677 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.360 20.581 -2.913 1.00 0.00 H new ATOM 1496 N ASN A 100 6.293 19.779 -5.474 1.00 0.00 N ATOM 1497 CA ASN A 100 7.201 20.842 -5.061 1.00 0.00 C ATOM 1498 C ASN A 100 8.644 20.347 -5.041 1.00 0.00 C ATOM 1499 O ASN A 100 9.377 20.576 -4.079 1.00 0.00 O ATOM 1500 CB ASN A 100 6.812 21.366 -3.677 1.00 0.00 C ATOM 1501 CG ASN A 100 7.225 22.810 -3.468 1.00 0.00 C ATOM 1502 OD1 ASN A 100 8.349 23.198 -3.789 1.00 0.00 O ATOM 1503 ND2 ASN A 100 6.317 23.613 -2.927 1.00 0.00 N ATOM 0 H ASN A 100 5.933 19.877 -6.423 1.00 0.00 H new ATOM 0 HA ASN A 100 7.123 21.653 -5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.733 21.277 -3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.277 20.744 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.538 24.595 -2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.398 23.248 -2.677 1.00 0.00 H new ATOM 1510 N ARG A 101 9.046 19.667 -6.111 1.00 0.00 N ATOM 1511 CA ARG A 101 10.400 19.139 -6.217 1.00 0.00 C ATOM 1512 C ARG A 101 10.798 18.402 -4.941 1.00 0.00 C ATOM 1513 O ARG A 101 11.970 18.376 -4.567 1.00 0.00 O ATOM 1514 CB ARG A 101 11.391 20.271 -6.493 1.00 0.00 C ATOM 1515 CG ARG A 101 11.563 21.230 -5.326 1.00 0.00 C ATOM 1516 CD ARG A 101 12.806 22.090 -5.489 1.00 0.00 C ATOM 1517 NE ARG A 101 12.746 23.300 -4.674 1.00 0.00 N ATOM 1518 CZ ARG A 101 13.641 24.278 -4.744 1.00 0.00 C ATOM 1519 NH1 ARG A 101 14.661 24.190 -5.587 1.00 0.00 N ATOM 1520 NH2 ARG A 101 13.518 25.349 -3.969 1.00 0.00 N ATOM 0 H ARG A 101 8.452 19.469 -6.916 1.00 0.00 H new ATOM 0 HA ARG A 101 10.423 18.433 -7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 101 12.360 19.840 -6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 101 11.055 20.831 -7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.684 21.870 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 101 11.630 20.665 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.687 21.510 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.922 22.365 -6.537 1.00 0.00 H new ATOM 0 HE ARG A 101 11.974 23.399 -4.015 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.760 23.369 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.347 24.943 -5.638 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.735 25.421 -3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.206 26.100 -4.024 1.00 0.00 H new ATOM 1534 N ARG A 102 9.813 17.804 -4.278 1.00 0.00 N ATOM 1535 CA ARG A 102 10.059 17.068 -3.045 1.00 0.00 C ATOM 1536 C ARG A 102 9.077 15.909 -2.898 1.00 0.00 C ATOM 1537 O ARG A 102 7.922 16.005 -3.313 1.00 0.00 O ATOM 1538 CB ARG A 102 9.948 18.001 -1.838 1.00 0.00 C ATOM 1539 CG ARG A 102 8.515 18.320 -1.444 1.00 0.00 C ATOM 1540 CD ARG A 102 8.441 18.923 -0.050 1.00 0.00 C ATOM 1541 NE ARG A 102 8.664 20.366 -0.066 1.00 0.00 N ATOM 1542 CZ ARG A 102 8.577 21.136 1.013 1.00 0.00 C ATOM 1543 NH1 ARG A 102 8.273 20.602 2.188 1.00 0.00 N ATOM 1544 NH2 ARG A 102 8.794 22.441 0.918 1.00 0.00 N ATOM 0 H ARG A 102 8.837 17.815 -4.575 1.00 0.00 H new ATOM 0 HA ARG A 102 11.069 16.662 -3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.456 17.544 -0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.471 18.932 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.084 19.015 -2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.916 17.410 -1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.464 18.712 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.184 18.448 0.590 1.00 0.00 H new ATOM 0 HE ARG A 102 8.900 20.807 -0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 102 8.106 19.599 2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 102 8.207 21.194 3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.028 22.855 0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.727 23.031 1.747 1.00 0.00 H new ATOM 1558 N SER A 103 9.544 14.815 -2.304 1.00 0.00 N ATOM 1559 CA SER A 103 8.709 13.637 -2.106 1.00 0.00 C ATOM 1560 C SER A 103 8.255 13.531 -0.654 1.00 0.00 C ATOM 1561 O SER A 103 9.012 13.831 0.269 1.00 0.00 O ATOM 1562 CB SER A 103 9.470 12.372 -2.508 1.00 0.00 C ATOM 1563 OG SER A 103 10.766 12.354 -1.936 1.00 0.00 O ATOM 0 H SER A 103 10.497 14.721 -1.952 1.00 0.00 H new ATOM 0 HA SER A 103 7.827 13.738 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.914 11.491 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.547 12.320 -3.594 1.00 0.00 H new ATOM 0 HG SER A 103 11.232 11.535 -2.206 1.00 0.00 H new ATOM 1569 N SER A 104 7.012 13.101 -0.458 1.00 0.00 N ATOM 1570 CA SER A 104 6.454 12.958 0.881 1.00 0.00 C ATOM 1571 C SER A 104 6.636 11.533 1.396 1.00 0.00 C ATOM 1572 O SER A 104 7.272 10.702 0.748 1.00 0.00 O ATOM 1573 CB SER A 104 4.969 13.326 0.880 1.00 0.00 C ATOM 1574 OG SER A 104 4.167 12.211 0.532 1.00 0.00 O ATOM 0 H SER A 104 6.372 12.846 -1.210 1.00 0.00 H new ATOM 0 HA SER A 104 6.989 13.637 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.681 13.691 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.793 14.139 0.175 1.00 0.00 H new ATOM 0 HG SER A 104 3.222 12.472 0.540 1.00 0.00 H new ATOM 1580 N THR A 105 6.072 11.258 2.568 1.00 0.00 N ATOM 1581 CA THR A 105 6.171 9.936 3.173 1.00 0.00 C ATOM 1582 C THR A 105 5.034 9.032 2.710 1.00 0.00 C ATOM 1583 O THR A 105 3.992 9.511 2.262 1.00 0.00 O ATOM 1584 CB THR A 105 6.153 10.018 4.711 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.544 8.761 5.273 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.768 10.396 5.216 1.00 0.00 C ATOM 0 H THR A 105 5.541 11.934 3.117 1.00 0.00 H new ATOM 0 HA THR A 105 7.122 9.512 2.851 1.00 0.00 H new ATOM 0 HB THR A 105 6.859 10.789 5.020 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.532 8.822 6.251 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.779 10.448 6.305 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.485 11.367 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.046 9.644 4.896 1.00 0.00 H new ATOM 1594 N TRP A 106 5.241 7.725 2.820 1.00 0.00 N ATOM 1595 CA TRP A 106 4.231 6.755 2.413 1.00 0.00 C ATOM 1596 C TRP A 106 3.169 6.588 3.494 1.00 0.00 C ATOM 1597 O TRP A 106 3.483 6.541 4.683 1.00 0.00 O ATOM 1598 CB TRP A 106 4.884 5.405 2.110 1.00 0.00 C ATOM 1599 CG TRP A 106 6.003 5.496 1.116 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.303 5.825 1.374 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.919 5.258 -0.293 1.00 0.00 C ATOM 1602 NE1 TRP A 106 8.033 5.805 0.209 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.206 5.460 -0.827 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.881 4.893 -1.155 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.481 5.308 -2.184 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.156 4.743 -2.501 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.447 4.950 -3.005 1.00 0.00 C ATOM 0 H TRP A 106 6.098 7.313 3.187 1.00 0.00 H new ATOM 0 HA TRP A 106 3.748 7.128 1.510 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.265 4.978 3.037 1.00 0.00 H new ATOM 0 HB3 TRP A 106 4.126 4.720 1.731 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.699 6.065 2.349 1.00 0.00 H new ATOM 0 HE1 TRP A 106 9.028 6.013 0.129 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.883 4.731 -0.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.475 5.467 -2.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.362 4.461 -3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.629 4.824 -4.062 1.00 0.00 H new ATOM 1618 N SER A 107 1.911 6.498 3.073 1.00 0.00 N ATOM 1619 CA SER A 107 0.803 6.340 4.007 1.00 0.00 C ATOM 1620 C SER A 107 0.712 4.901 4.504 1.00 0.00 C ATOM 1621 O SER A 107 1.384 4.010 3.985 1.00 0.00 O ATOM 1622 CB SER A 107 -0.514 6.746 3.341 1.00 0.00 C ATOM 1623 OG SER A 107 -1.600 6.627 4.244 1.00 0.00 O ATOM 0 H SER A 107 1.634 6.532 2.092 1.00 0.00 H new ATOM 0 HA SER A 107 0.986 6.990 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.444 7.774 2.985 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.692 6.118 2.468 1.00 0.00 H new ATOM 0 HG SER A 107 -2.188 7.406 4.153 1.00 0.00 H new ATOM 1629 N MET A 108 -0.126 4.681 5.512 1.00 0.00 N ATOM 1630 CA MET A 108 -0.306 3.350 6.079 1.00 0.00 C ATOM 1631 C MET A 108 -0.194 2.279 4.999 1.00 0.00 C ATOM 1632 O MET A 108 -0.494 2.527 3.830 1.00 0.00 O ATOM 1633 CB MET A 108 -1.664 3.248 6.776 1.00 0.00 C ATOM 1634 CG MET A 108 -2.826 3.712 5.912 1.00 0.00 C ATOM 1635 SD MET A 108 -4.392 2.955 6.389 1.00 0.00 S ATOM 1636 CE MET A 108 -4.584 1.730 5.096 1.00 0.00 C ATOM 0 H MET A 108 -0.691 5.407 5.953 1.00 0.00 H new ATOM 0 HA MET A 108 0.484 3.185 6.812 1.00 0.00 H new ATOM 0 HB2 MET A 108 -1.834 2.213 7.074 1.00 0.00 H new ATOM 0 HB3 MET A 108 -1.640 3.843 7.689 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.915 4.796 5.981 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.615 3.475 4.869 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.138 0.875 5.484 1.00 0.00 H new ATOM 0 HE2 MET A 108 -5.129 2.167 4.259 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.601 1.402 4.757 1.00 0.00 H new ATOM 1646 N THR A 109 0.239 1.086 5.395 1.00 0.00 N ATOM 1647 CA THR A 109 0.392 -0.021 4.461 1.00 0.00 C ATOM 1648 C THR A 109 -0.833 -0.928 4.478 1.00 0.00 C ATOM 1649 O THR A 109 -1.349 -1.271 5.542 1.00 0.00 O ATOM 1650 CB THR A 109 1.642 -0.861 4.784 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.816 -0.044 4.700 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.767 -2.036 3.826 1.00 0.00 C ATOM 0 H THR A 109 0.490 0.862 6.358 1.00 0.00 H new ATOM 0 HA THR A 109 0.504 0.417 3.469 1.00 0.00 H new ATOM 0 HB THR A 109 1.540 -1.248 5.798 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.606 -0.585 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.657 -2.614 4.074 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.886 -2.671 3.913 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.848 -1.665 2.804 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.295 -1.314 3.293 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.458 -2.184 3.173 1.00 0.00 C ATOM 1662 C ALA A 110 -2.049 -3.594 2.762 1.00 0.00 C ATOM 1663 O ALA A 110 -1.342 -3.783 1.771 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.448 -1.606 2.172 1.00 0.00 C ATOM 0 H ALA A 110 -0.881 -1.038 2.403 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.939 -2.244 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.312 -2.266 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.773 -0.622 2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.969 -1.516 1.197 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.498 -4.583 3.529 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.178 -5.977 3.243 1.00 0.00 C ATOM 1672 C HIS A 111 -3.266 -6.620 2.388 1.00 0.00 C ATOM 1673 O HIS A 111 -4.456 -6.436 2.639 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.008 -6.760 4.545 1.00 0.00 C ATOM 1675 CG HIS A 111 -0.623 -6.687 5.112 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.510 -6.654 4.327 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.192 -6.640 6.394 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.578 -6.590 5.102 1.00 0.00 C ATOM 1679 NE2 HIS A 111 1.179 -6.580 6.361 1.00 0.00 N ATOM 0 H HIS A 111 -3.084 -4.445 4.352 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.241 -6.002 2.687 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -2.714 -6.380 5.283 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.264 -7.804 4.367 1.00 0.00 H new ATOM 0 HD1 HIS A 111 0.522 -6.676 3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.812 -6.648 7.279 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.603 -6.552 4.764 1.00 0.00 H new ATOM 1688 N ALA A 112 -2.848 -7.374 1.376 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.786 -8.045 0.485 1.00 0.00 C ATOM 1690 C ALA A 112 -3.159 -9.288 -0.137 1.00 0.00 C ATOM 1691 O ALA A 112 -2.156 -9.203 -0.847 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.257 -7.089 -0.601 1.00 0.00 C ATOM 0 H ALA A 112 -1.866 -7.535 1.153 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.647 -8.361 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.957 -7.603 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.752 -6.233 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.400 -6.745 -1.180 1.00 0.00 H new ATOM 1698 N THR A 113 -3.756 -10.445 0.134 1.00 0.00 N ATOM 1699 CA THR A 113 -3.255 -11.706 -0.397 1.00 0.00 C ATOM 1700 C THR A 113 -3.843 -11.995 -1.774 1.00 0.00 C ATOM 1701 O THR A 113 -4.930 -11.523 -2.108 1.00 0.00 O ATOM 1702 CB THR A 113 -3.581 -12.881 0.544 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.356 -12.495 1.905 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.728 -14.095 0.209 1.00 0.00 C ATOM 0 H THR A 113 -4.587 -10.534 0.718 1.00 0.00 H new ATOM 0 HA THR A 113 -2.173 -11.606 -0.480 1.00 0.00 H new ATOM 0 HB THR A 113 -4.630 -13.145 0.410 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.567 -13.247 2.497 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.976 -14.912 0.887 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.922 -14.404 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.674 -13.840 0.318 1.00 0.00 H new ATOM 1712 N THR A 114 -3.118 -12.775 -2.570 1.00 0.00 N ATOM 1713 CA THR A 114 -3.568 -13.127 -3.911 1.00 0.00 C ATOM 1714 C THR A 114 -4.294 -14.467 -3.913 1.00 0.00 C ATOM 1715 O THR A 114 -4.136 -15.272 -2.995 1.00 0.00 O ATOM 1716 CB THR A 114 -2.388 -13.193 -4.899 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.331 -13.985 -4.348 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.871 -11.798 -5.218 1.00 0.00 C ATOM 0 H THR A 114 -2.217 -13.175 -2.309 1.00 0.00 H new ATOM 0 HA THR A 114 -4.256 -12.344 -4.230 1.00 0.00 H new ATOM 0 HB THR A 114 -2.741 -13.652 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.530 -13.895 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.038 -11.870 -5.917 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.670 -11.207 -5.665 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.534 -11.316 -4.300 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.089 -14.702 -4.951 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.841 -15.945 -5.072 1.00 0.00 C ATOM 1728 C TYR A 115 -4.913 -17.115 -5.386 1.00 0.00 C ATOM 1729 O TYR A 115 -3.829 -16.929 -5.938 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.906 -15.817 -6.162 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.968 -14.785 -5.854 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.999 -15.065 -4.966 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.938 -13.530 -6.450 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.971 -14.125 -4.682 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.905 -12.584 -6.171 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.920 -12.886 -5.287 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.885 -11.947 -5.006 1.00 0.00 O ATOM 0 H TYR A 115 -5.229 -14.048 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.330 -16.139 -4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.421 -15.557 -7.103 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.384 -16.786 -6.307 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.041 -16.033 -4.490 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.145 -13.290 -7.143 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.767 -14.359 -3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.867 -11.613 -6.642 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.703 -11.129 -5.513 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.349 -18.319 -5.031 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.558 -19.520 -5.275 1.00 0.00 C ATOM 1749 C GLU A 116 -4.529 -19.860 -6.763 1.00 0.00 C ATOM 1750 O GLU A 116 -5.566 -20.132 -7.368 1.00 0.00 O ATOM 1751 CB GLU A 116 -5.123 -20.700 -4.482 1.00 0.00 C ATOM 1752 CG GLU A 116 -4.072 -21.720 -4.077 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.646 -22.847 -3.241 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -5.203 -22.560 -2.161 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -4.536 -24.017 -3.665 1.00 0.00 O ATOM 0 H GLU A 116 -6.245 -18.489 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.538 -19.325 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.615 -20.322 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.887 -21.196 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.610 -22.136 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.284 -21.220 -3.514 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.335 -19.840 -7.345 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.170 -20.147 -8.760 1.00 0.00 C ATOM 1764 C ALA A 117 -3.791 -21.497 -9.105 1.00 0.00 C ATOM 1765 O ALA A 117 -4.449 -21.643 -10.135 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.696 -20.130 -9.136 1.00 0.00 C ATOM 0 H ALA A 117 -2.467 -19.614 -6.858 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.689 -19.380 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.588 -20.361 -10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.281 -19.142 -8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.161 -20.875 -8.546 1.00 0.00 H new