USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 889 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 54 THR OG1 : rot 72:sc= 0.27 USER MOD Set 1.2: A 84 GLN : amide:sc= 0.113 X(o=0.38,f=0.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.13 (180deg=-0.291) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0441 X(o=-0.044,f=-0.39) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -123:sc= 0 (180deg=-0.519) USER MOD Single : A 14 SER OG : rot 46:sc= 0.00207 USER MOD Single : A 16 ASN : amide:sc= -0.697 K(o=-0.7,f=-0.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 160:sc= -0.0443 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -179:sc= 1.12 USER MOD Single : A 48 THR OG1 : rot -34:sc= 1.11 USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00994) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -4.02! C(o=-4!,f=-3.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -13.7! C(o=-14!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -5.71! C(o=-5.7!,f=-7.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.689 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.28) USER MOD Single : A 86 ASN : amide:sc= -2.39! C(o=-2.4!,f=-6.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -32:sc= 0.0433 USER MOD Single : A 92 LYS NZ :NH3+ -159:sc= 0.285 (180deg=0.156) USER MOD Single : A 97 SER OG : rot 36:sc= 0.093 USER MOD Single : A 104 SER OG : rot -122:sc= 0.0859 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.05) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0359 USER MOD ----------------------------------------------------------------- ATOM 193 N MET A 1 11.060 -2.436 14.046 1.00 0.49 N ATOM 194 CA MET A 1 9.660 -2.935 14.048 1.00 0.49 C ATOM 195 C MET A 1 9.025 -2.788 12.671 1.00 0.45 C ATOM 196 O MET A 1 7.802 -2.852 12.530 1.00 0.44 O ATOM 197 CB MET A 1 8.832 -2.176 15.087 1.00 0.50 C ATOM 198 CG MET A 1 9.245 -2.460 16.520 1.00 0.54 C ATOM 199 SD MET A 1 7.840 -2.832 17.588 1.00 0.57 S ATOM 200 CE MET A 1 8.617 -3.877 18.817 1.00 0.61 C ATOM 0 H1 MET A 1 11.436 -2.453 15.016 1.00 0.49 H new ATOM 0 H2 MET A 1 11.644 -3.044 13.438 1.00 0.49 H new ATOM 0 H3 MET A 1 11.081 -1.461 13.683 1.00 0.49 H new ATOM 0 HA MET A 1 9.678 -3.994 14.306 1.00 0.49 H new ATOM 0 HB2 MET A 1 8.920 -1.106 14.898 1.00 0.50 H new ATOM 0 HB3 MET A 1 7.781 -2.437 14.962 1.00 0.50 H new ATOM 0 HG2 MET A 1 9.939 -3.300 16.534 1.00 0.54 H new ATOM 0 HG3 MET A 1 9.780 -1.598 16.917 1.00 0.54 H new ATOM 0 HE1 MET A 1 7.874 -4.190 19.551 1.00 0.61 H new ATOM 0 HE2 MET A 1 9.040 -4.756 18.332 1.00 0.61 H new ATOM 0 HE3 MET A 1 9.410 -3.322 19.318 1.00 0.61 H new ATOM 212 N GLU A 2 9.860 -2.587 11.657 1.00 0.43 N ATOM 213 CA GLU A 2 9.379 -2.430 10.289 1.00 0.40 C ATOM 214 C GLU A 2 9.932 -3.529 9.387 1.00 0.40 C ATOM 215 O GLU A 2 11.138 -3.774 9.357 1.00 0.42 O ATOM 216 CB GLU A 2 9.774 -1.059 9.738 1.00 0.38 C ATOM 217 CG GLU A 2 11.160 -0.604 10.169 1.00 0.39 C ATOM 218 CD GLU A 2 11.119 0.609 11.075 1.00 0.40 C ATOM 219 OE1 GLU A 2 10.414 1.581 10.736 1.00 0.38 O ATOM 220 OE2 GLU A 2 11.795 0.588 12.126 1.00 0.42 O ATOM 0 H GLU A 2 10.873 -2.529 11.757 1.00 0.43 H new ATOM 0 HA GLU A 2 8.292 -2.508 10.305 1.00 0.40 H new ATOM 0 HB2 GLU A 2 9.733 -1.089 8.649 1.00 0.38 H new ATOM 0 HB3 GLU A 2 9.041 -0.321 10.064 1.00 0.38 H new ATOM 0 HG2 GLU A 2 11.663 -1.422 10.685 1.00 0.39 H new ATOM 0 HG3 GLU A 2 11.754 -0.373 9.285 1.00 0.39 H new ATOM 227 N GLU A 3 9.040 -4.189 8.653 1.00 0.39 N ATOM 228 CA GLU A 3 9.438 -5.261 7.750 1.00 0.40 C ATOM 229 C GLU A 3 9.617 -4.743 6.324 1.00 0.37 C ATOM 230 O GLU A 3 9.276 -3.599 6.021 1.00 0.35 O ATOM 231 CB GLU A 3 8.407 -6.389 7.776 1.00 0.41 C ATOM 232 CG GLU A 3 7.152 -6.095 6.966 1.00 0.38 C ATOM 233 CD GLU A 3 5.938 -6.843 7.483 1.00 0.39 C ATOM 234 OE1 GLU A 3 5.747 -8.012 7.084 1.00 0.41 O ATOM 235 OE2 GLU A 3 5.179 -6.260 8.285 1.00 0.39 O ATOM 0 H GLU A 3 8.038 -3.999 8.667 1.00 0.39 H new ATOM 0 HA GLU A 3 10.397 -5.650 8.093 1.00 0.40 H new ATOM 0 HB2 GLU A 3 8.869 -7.299 7.394 1.00 0.41 H new ATOM 0 HB3 GLU A 3 8.123 -6.585 8.810 1.00 0.41 H new ATOM 0 HG2 GLU A 3 6.952 -5.024 6.989 1.00 0.38 H new ATOM 0 HG3 GLU A 3 7.324 -6.365 5.924 1.00 0.38 H new ATOM 242 N LYS A 4 10.155 -5.592 5.454 1.00 0.39 N ATOM 243 CA LYS A 4 10.382 -5.229 4.059 1.00 0.37 C ATOM 244 C LYS A 4 9.248 -5.730 3.171 1.00 0.36 C ATOM 245 O LYS A 4 8.358 -6.449 3.626 1.00 0.37 O ATOM 246 CB LYS A 4 11.717 -5.803 3.577 1.00 0.41 C ATOM 247 CG LYS A 4 12.026 -7.186 4.126 1.00 0.44 C ATOM 248 CD LYS A 4 12.844 -7.110 5.406 1.00 0.46 C ATOM 249 CE LYS A 4 14.326 -7.303 5.134 1.00 0.49 C ATOM 250 NZ LYS A 4 14.994 -8.079 6.214 1.00 0.52 N ATOM 0 H LYS A 4 10.443 -6.541 5.692 1.00 0.39 H new ATOM 0 HA LYS A 4 10.413 -4.142 3.992 1.00 0.37 H new ATOM 0 HB2 LYS A 4 11.710 -5.848 2.488 1.00 0.41 H new ATOM 0 HB3 LYS A 4 12.519 -5.122 3.863 1.00 0.41 H new ATOM 0 HG2 LYS A 4 11.094 -7.718 4.320 1.00 0.44 H new ATOM 0 HG3 LYS A 4 12.572 -7.761 3.378 1.00 0.44 H new ATOM 0 HD2 LYS A 4 12.684 -6.144 5.884 1.00 0.46 H new ATOM 0 HD3 LYS A 4 12.499 -7.872 6.105 1.00 0.46 H new ATOM 0 HE2 LYS A 4 14.456 -7.819 4.183 1.00 0.49 H new ATOM 0 HE3 LYS A 4 14.807 -6.330 5.036 1.00 0.49 H new ATOM 0 HZ1 LYS A 4 16.004 -8.188 5.990 1.00 0.52 H new ATOM 0 HZ2 LYS A 4 14.893 -7.574 7.118 1.00 0.52 H new ATOM 0 HZ3 LYS A 4 14.553 -9.018 6.291 1.00 0.52 H new ATOM 264 N VAL A 5 9.288 -5.342 1.899 1.00 0.35 N ATOM 265 CA VAL A 5 8.269 -5.749 0.938 1.00 0.34 C ATOM 266 C VAL A 5 8.429 -7.217 0.555 1.00 0.37 C ATOM 267 O VAL A 5 7.444 -7.928 0.361 1.00 0.37 O ATOM 268 CB VAL A 5 8.331 -4.880 -0.337 1.00 0.32 C ATOM 269 CG1 VAL A 5 7.269 -5.307 -1.337 1.00 0.31 C ATOM 270 CG2 VAL A 5 8.177 -3.407 0.011 1.00 0.29 C ATOM 0 H VAL A 5 10.018 -4.745 1.510 1.00 0.35 H new ATOM 0 HA VAL A 5 7.300 -5.611 1.418 1.00 0.34 H new ATOM 0 HB VAL A 5 9.308 -5.025 -0.798 1.00 0.32 H new ATOM 0 HG11 VAL A 5 7.333 -4.680 -2.226 1.00 0.31 H new ATOM 0 HG12 VAL A 5 7.429 -6.349 -1.615 1.00 0.31 H new ATOM 0 HG13 VAL A 5 6.282 -5.199 -0.888 1.00 0.31 H new ATOM 0 HG21 VAL A 5 8.223 -2.811 -0.900 1.00 0.29 H new ATOM 0 HG22 VAL A 5 7.216 -3.247 0.501 1.00 0.29 H new ATOM 0 HG23 VAL A 5 8.981 -3.106 0.683 1.00 0.29 H new ATOM 280 N GLY A 6 9.677 -7.666 0.455 1.00 0.41 N ATOM 281 CA GLY A 6 9.943 -9.045 0.093 1.00 0.44 C ATOM 282 C GLY A 6 9.723 -10.005 1.247 1.00 0.46 C ATOM 283 O GLY A 6 9.975 -11.204 1.120 1.00 0.50 O ATOM 0 H GLY A 6 10.508 -7.098 0.619 1.00 0.41 H new ATOM 0 HA2 GLY A 6 9.298 -9.329 -0.739 1.00 0.44 H new ATOM 0 HA3 GLY A 6 10.972 -9.133 -0.257 1.00 0.44 H new ATOM 287 N ASN A 7 9.250 -9.480 2.374 1.00 0.44 N ATOM 288 CA ASN A 7 9.000 -10.300 3.554 1.00 0.47 C ATOM 289 C ASN A 7 7.590 -10.082 4.092 1.00 0.44 C ATOM 290 O ASN A 7 7.194 -10.695 5.084 1.00 0.46 O ATOM 291 CB ASN A 7 10.020 -9.979 4.642 1.00 0.48 C ATOM 292 CG ASN A 7 10.276 -11.152 5.568 1.00 0.52 C ATOM 293 OD1 ASN A 7 10.444 -12.287 5.121 1.00 0.54 O ATOM 294 ND2 ASN A 7 10.308 -10.880 6.867 1.00 0.52 N ATOM 0 H ASN A 7 9.032 -8.491 2.494 1.00 0.44 H new ATOM 0 HA ASN A 7 9.097 -11.345 3.261 1.00 0.47 H new ATOM 0 HB2 ASN A 7 10.958 -9.677 4.177 1.00 0.48 H new ATOM 0 HB3 ASN A 7 9.666 -9.130 5.227 1.00 0.48 H new ATOM 0 HD21 ASN A 7 10.477 -11.627 7.540 1.00 0.52 H new ATOM 0 HD22 ASN A 7 10.163 -9.924 7.192 1.00 0.52 H new ATOM 301 N LEU A 8 6.832 -9.207 3.438 1.00 0.41 N ATOM 302 CA LEU A 8 5.469 -8.915 3.864 1.00 0.39 C ATOM 303 C LEU A 8 4.516 -10.036 3.462 1.00 0.40 C ATOM 304 O LEU A 8 4.788 -10.795 2.530 1.00 0.42 O ATOM 305 CB LEU A 8 4.995 -7.584 3.268 1.00 0.35 C ATOM 306 CG LEU A 8 4.221 -7.697 1.951 1.00 0.33 C ATOM 307 CD1 LEU A 8 2.722 -7.668 2.208 1.00 0.32 C ATOM 308 CD2 LEU A 8 4.618 -6.586 1.000 1.00 0.30 C ATOM 0 H LEU A 8 7.138 -8.690 2.614 1.00 0.41 H new ATOM 0 HA LEU A 8 5.468 -8.838 4.951 1.00 0.39 H new ATOM 0 HB2 LEU A 8 4.363 -7.081 4.000 1.00 0.35 H new ATOM 0 HB3 LEU A 8 5.864 -6.947 3.106 1.00 0.35 H new ATOM 0 HG LEU A 8 4.473 -8.651 1.488 1.00 0.33 H new ATOM 0 HD11 LEU A 8 2.189 -7.749 1.261 1.00 0.32 H new ATOM 0 HD12 LEU A 8 2.447 -8.503 2.852 1.00 0.32 H new ATOM 0 HD13 LEU A 8 2.455 -6.731 2.696 1.00 0.32 H new ATOM 0 HD21 LEU A 8 4.057 -6.685 0.071 1.00 0.30 H new ATOM 0 HD22 LEU A 8 4.398 -5.621 1.456 1.00 0.30 H new ATOM 0 HD23 LEU A 8 5.685 -6.652 0.788 1.00 0.30 H new ATOM 320 N LYS A 9 3.399 -10.128 4.171 1.00 0.40 N ATOM 321 CA LYS A 9 2.392 -11.139 3.890 1.00 0.42 C ATOM 322 C LYS A 9 0.992 -10.541 4.021 1.00 0.40 C ATOM 323 O LYS A 9 0.789 -9.591 4.777 1.00 0.39 O ATOM 324 CB LYS A 9 2.560 -12.336 4.821 1.00 0.46 C ATOM 325 CG LYS A 9 2.082 -12.086 6.241 1.00 0.47 C ATOM 326 CD LYS A 9 1.053 -13.118 6.671 1.00 0.50 C ATOM 327 CE LYS A 9 1.699 -14.259 7.441 1.00 0.54 C ATOM 328 NZ LYS A 9 1.354 -14.221 8.888 1.00 0.56 N ATOM 0 H LYS A 9 3.168 -9.510 4.949 1.00 0.40 H new ATOM 0 HA LYS A 9 2.523 -11.487 2.865 1.00 0.42 H new ATOM 0 HB2 LYS A 9 2.013 -13.184 4.408 1.00 0.46 H new ATOM 0 HB3 LYS A 9 3.613 -12.618 4.847 1.00 0.46 H new ATOM 0 HG2 LYS A 9 2.932 -12.112 6.922 1.00 0.47 H new ATOM 0 HG3 LYS A 9 1.649 -11.088 6.310 1.00 0.47 H new ATOM 0 HD2 LYS A 9 0.295 -12.641 7.292 1.00 0.50 H new ATOM 0 HD3 LYS A 9 0.543 -13.513 5.793 1.00 0.50 H new ATOM 0 HE2 LYS A 9 1.378 -15.210 7.017 1.00 0.54 H new ATOM 0 HE3 LYS A 9 2.782 -14.207 7.325 1.00 0.54 H new ATOM 0 HZ1 LYS A 9 1.815 -15.016 9.376 1.00 0.56 H new ATOM 0 HZ2 LYS A 9 1.683 -13.324 9.300 1.00 0.56 H new ATOM 0 HZ3 LYS A 9 0.323 -14.296 9.001 1.00 0.56 H new ATOM 342 N PRO A 10 0.004 -11.083 3.285 1.00 0.40 N ATOM 343 CA PRO A 10 -1.369 -10.578 3.324 1.00 0.39 C ATOM 344 C PRO A 10 -2.133 -11.033 4.565 1.00 0.41 C ATOM 345 O PRO A 10 -1.687 -11.927 5.286 1.00 0.45 O ATOM 346 CB PRO A 10 -1.993 -11.180 2.068 1.00 0.38 C ATOM 347 CG PRO A 10 -1.256 -12.457 1.855 1.00 0.42 C ATOM 348 CD PRO A 10 0.146 -12.230 2.365 1.00 0.42 C ATOM 0 HA PRO A 10 -1.399 -9.489 3.363 1.00 0.39 H new ATOM 0 HB2 PRO A 10 -3.060 -11.356 2.201 1.00 0.38 H new ATOM 0 HB3 PRO A 10 -1.885 -10.513 1.213 1.00 0.38 H new ATOM 0 HG2 PRO A 10 -1.736 -13.276 2.390 1.00 0.42 H new ATOM 0 HG3 PRO A 10 -1.246 -12.728 0.799 1.00 0.42 H new ATOM 0 HD2 PRO A 10 0.532 -13.110 2.879 1.00 0.42 H new ATOM 0 HD3 PRO A 10 0.837 -12.007 1.552 1.00 0.42 H new ATOM 356 N ASN A 11 -3.278 -10.392 4.811 1.00 0.41 N ATOM 357 CA ASN A 11 -4.139 -10.729 5.945 1.00 0.44 C ATOM 358 C ASN A 11 -3.530 -10.282 7.271 1.00 0.45 C ATOM 359 O ASN A 11 -3.785 -10.883 8.315 1.00 0.49 O ATOM 360 CB ASN A 11 -4.433 -12.234 5.978 1.00 0.47 C ATOM 361 CG ASN A 11 -5.782 -12.574 5.376 1.00 0.47 C ATOM 362 OD1 ASN A 11 -6.768 -12.746 6.092 1.00 0.50 O ATOM 363 ND2 ASN A 11 -5.833 -12.672 4.051 1.00 0.45 N ATOM 0 H ASN A 11 -3.632 -9.630 4.233 1.00 0.41 H new ATOM 0 HA ASN A 11 -5.076 -10.190 5.809 1.00 0.44 H new ATOM 0 HB2 ASN A 11 -3.652 -12.766 5.435 1.00 0.47 H new ATOM 0 HB3 ASN A 11 -4.400 -12.585 7.009 1.00 0.47 H new ATOM 0 HD21 ASN A 11 -6.714 -12.898 3.590 1.00 0.45 H new ATOM 0 HD22 ASN A 11 -4.991 -12.521 3.496 1.00 0.45 H new ATOM 370 N MET A 12 -2.726 -9.225 7.225 1.00 0.43 N ATOM 371 CA MET A 12 -2.099 -8.691 8.429 1.00 0.44 C ATOM 372 C MET A 12 -2.718 -7.351 8.805 1.00 0.43 C ATOM 373 O MET A 12 -2.754 -6.427 7.993 1.00 0.40 O ATOM 374 CB MET A 12 -0.593 -8.530 8.225 1.00 0.43 C ATOM 375 CG MET A 12 0.136 -9.846 8.021 1.00 0.45 C ATOM 376 SD MET A 12 1.724 -9.898 8.873 1.00 0.47 S ATOM 377 CE MET A 12 2.693 -8.797 7.848 1.00 0.43 C ATOM 0 H MET A 12 -2.493 -8.722 6.369 1.00 0.43 H new ATOM 0 HA MET A 12 -2.269 -9.397 9.241 1.00 0.44 H new ATOM 0 HB2 MET A 12 -0.418 -7.889 7.361 1.00 0.43 H new ATOM 0 HB3 MET A 12 -0.170 -8.020 9.090 1.00 0.43 H new ATOM 0 HG2 MET A 12 -0.491 -10.663 8.378 1.00 0.45 H new ATOM 0 HG3 MET A 12 0.294 -10.008 6.955 1.00 0.45 H new ATOM 0 HE1 MET A 12 3.574 -9.323 7.481 1.00 0.43 H new ATOM 0 HE2 MET A 12 2.091 -8.463 7.003 1.00 0.43 H new ATOM 0 HE3 MET A 12 3.004 -7.933 8.435 1.00 0.43 H new ATOM 387 N GLU A 13 -3.206 -7.253 10.036 1.00 0.47 N ATOM 388 CA GLU A 13 -3.827 -6.022 10.512 1.00 0.47 C ATOM 389 C GLU A 13 -2.773 -5.038 11.007 1.00 0.46 C ATOM 390 O GLU A 13 -3.091 -4.064 11.691 1.00 0.48 O ATOM 391 CB GLU A 13 -4.830 -6.324 11.629 1.00 0.51 C ATOM 392 CG GLU A 13 -5.391 -7.738 11.586 1.00 0.53 C ATOM 393 CD GLU A 13 -6.799 -7.822 12.140 1.00 0.56 C ATOM 394 OE1 GLU A 13 -7.598 -6.900 11.873 1.00 0.55 O ATOM 395 OE2 GLU A 13 -7.101 -8.810 12.840 1.00 0.59 O ATOM 0 H GLU A 13 -3.184 -8.008 10.721 1.00 0.47 H new ATOM 0 HA GLU A 13 -4.358 -5.567 9.676 1.00 0.47 H new ATOM 0 HB2 GLU A 13 -4.345 -6.165 12.592 1.00 0.51 H new ATOM 0 HB3 GLU A 13 -5.655 -5.614 11.566 1.00 0.51 H new ATOM 0 HG2 GLU A 13 -5.388 -8.095 10.556 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -4.740 -8.401 12.156 1.00 0.53 H new ATOM 402 N SER A 14 -1.519 -5.298 10.656 1.00 0.45 N ATOM 403 CA SER A 14 -0.416 -4.436 11.059 1.00 0.44 C ATOM 404 C SER A 14 0.777 -4.628 10.132 1.00 0.41 C ATOM 405 O SER A 14 1.364 -5.709 10.073 1.00 0.42 O ATOM 406 CB SER A 14 -0.009 -4.737 12.502 1.00 0.48 C ATOM 407 OG SER A 14 -0.055 -6.130 12.767 1.00 0.50 O ATOM 0 H SER A 14 -1.241 -6.101 10.092 1.00 0.45 H new ATOM 0 HA SER A 14 -0.747 -3.400 10.993 1.00 0.44 H new ATOM 0 HB2 SER A 14 0.998 -4.362 12.684 1.00 0.48 H new ATOM 0 HB3 SER A 14 -0.674 -4.211 13.188 1.00 0.48 H new ATOM 0 HG SER A 14 0.372 -6.617 12.032 1.00 0.50 H new ATOM 413 N VAL A 15 1.136 -3.571 9.407 1.00 0.38 N ATOM 414 CA VAL A 15 2.261 -3.631 8.479 1.00 0.35 C ATOM 415 C VAL A 15 3.079 -2.343 8.501 1.00 0.34 C ATOM 416 O VAL A 15 2.616 -1.291 8.064 1.00 0.32 O ATOM 417 CB VAL A 15 1.799 -3.889 7.029 1.00 0.32 C ATOM 418 CG1 VAL A 15 2.796 -4.777 6.300 1.00 0.32 C ATOM 419 CG2 VAL A 15 0.408 -4.506 6.995 1.00 0.34 C ATOM 0 H VAL A 15 0.666 -2.667 9.444 1.00 0.38 H new ATOM 0 HA VAL A 15 2.880 -4.463 8.814 1.00 0.35 H new ATOM 0 HB VAL A 15 1.751 -2.928 6.517 1.00 0.32 H new ATOM 0 HG11 VAL A 15 2.453 -4.948 5.280 1.00 0.32 H new ATOM 0 HG12 VAL A 15 3.770 -4.289 6.279 1.00 0.32 H new ATOM 0 HG13 VAL A 15 2.880 -5.732 6.819 1.00 0.32 H new ATOM 0 HG21 VAL A 15 0.110 -4.676 5.960 1.00 0.34 H new ATOM 0 HG22 VAL A 15 0.418 -5.455 7.530 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -0.302 -3.829 7.470 1.00 0.34 H new ATOM 429 N ASN A 16 4.299 -2.442 9.015 1.00 0.35 N ATOM 430 CA ASN A 16 5.205 -1.300 9.085 1.00 0.34 C ATOM 431 C ASN A 16 6.318 -1.470 8.058 1.00 0.33 C ATOM 432 O ASN A 16 6.975 -2.511 8.022 1.00 0.34 O ATOM 433 CB ASN A 16 5.793 -1.183 10.487 1.00 0.38 C ATOM 434 CG ASN A 16 5.516 0.168 11.120 1.00 0.39 C ATOM 435 OD1 ASN A 16 4.912 0.252 12.189 1.00 0.41 O ATOM 436 ND2 ASN A 16 5.960 1.232 10.462 1.00 0.37 N ATOM 0 H ASN A 16 4.686 -3.307 9.392 1.00 0.35 H new ATOM 0 HA ASN A 16 4.652 -0.387 8.864 1.00 0.34 H new ATOM 0 HB2 ASN A 16 5.379 -1.969 11.119 1.00 0.38 H new ATOM 0 HB3 ASN A 16 6.870 -1.346 10.441 1.00 0.38 H new ATOM 0 HD21 ASN A 16 5.805 2.167 10.840 1.00 0.37 H new ATOM 0 HD22 ASN A 16 6.456 1.115 9.579 1.00 0.37 H new ATOM 443 N VAL A 17 6.531 -0.458 7.223 1.00 0.30 N ATOM 444 CA VAL A 17 7.551 -0.554 6.186 1.00 0.29 C ATOM 445 C VAL A 17 7.976 0.817 5.655 1.00 0.27 C ATOM 446 O VAL A 17 7.205 1.772 5.684 1.00 0.26 O ATOM 447 CB VAL A 17 7.022 -1.418 5.021 1.00 0.27 C ATOM 448 CG1 VAL A 17 5.582 -1.045 4.703 1.00 0.25 C ATOM 449 CG2 VAL A 17 7.902 -1.292 3.783 1.00 0.27 C ATOM 0 H VAL A 17 6.020 0.424 7.243 1.00 0.30 H new ATOM 0 HA VAL A 17 8.430 -1.016 6.635 1.00 0.29 H new ATOM 0 HB VAL A 17 7.053 -2.461 5.335 1.00 0.27 H new ATOM 0 HG11 VAL A 17 5.220 -1.661 3.880 1.00 0.25 H new ATOM 0 HG12 VAL A 17 4.960 -1.212 5.582 1.00 0.25 H new ATOM 0 HG13 VAL A 17 5.533 0.006 4.419 1.00 0.25 H new ATOM 0 HG21 VAL A 17 7.498 -1.914 2.985 1.00 0.27 H new ATOM 0 HG22 VAL A 17 7.924 -0.252 3.457 1.00 0.27 H new ATOM 0 HG23 VAL A 17 8.914 -1.619 4.021 1.00 0.27 H new ATOM 459 N THR A 18 9.217 0.893 5.175 1.00 0.28 N ATOM 460 CA THR A 18 9.760 2.120 4.602 1.00 0.27 C ATOM 461 C THR A 18 10.059 1.902 3.123 1.00 0.26 C ATOM 462 O THR A 18 10.762 0.959 2.763 1.00 0.28 O ATOM 463 CB THR A 18 11.052 2.565 5.315 1.00 0.30 C ATOM 464 OG1 THR A 18 11.149 1.932 6.597 1.00 0.32 O ATOM 465 CG2 THR A 18 11.083 4.077 5.488 1.00 0.30 C ATOM 0 H THR A 18 9.870 0.109 5.173 1.00 0.28 H new ATOM 0 HA THR A 18 9.014 2.904 4.731 1.00 0.27 H new ATOM 0 HB THR A 18 11.900 2.268 4.698 1.00 0.30 H new ATOM 0 HG1 THR A 18 11.974 2.219 7.042 1.00 0.32 H new ATOM 0 HG21 THR A 18 12.004 4.367 5.994 1.00 0.30 H new ATOM 0 HG22 THR A 18 11.040 4.556 4.510 1.00 0.30 H new ATOM 0 HG23 THR A 18 10.227 4.393 6.085 1.00 0.30 H new ATOM 473 N VAL A 19 9.525 2.771 2.267 1.00 0.25 N ATOM 474 CA VAL A 19 9.728 2.635 0.828 1.00 0.25 C ATOM 475 C VAL A 19 9.757 3.991 0.134 1.00 0.25 C ATOM 476 O VAL A 19 9.675 5.036 0.778 1.00 0.25 O ATOM 477 CB VAL A 19 8.613 1.780 0.185 1.00 0.23 C ATOM 478 CG1 VAL A 19 8.636 0.358 0.723 1.00 0.24 C ATOM 479 CG2 VAL A 19 7.251 2.419 0.417 1.00 0.20 C ATOM 0 H VAL A 19 8.954 3.570 2.542 1.00 0.25 H new ATOM 0 HA VAL A 19 10.692 2.143 0.697 1.00 0.25 H new ATOM 0 HB VAL A 19 8.797 1.736 -0.888 1.00 0.23 H new ATOM 0 HG11 VAL A 19 7.841 -0.221 0.254 1.00 0.24 H new ATOM 0 HG12 VAL A 19 9.599 -0.100 0.499 1.00 0.24 H new ATOM 0 HG13 VAL A 19 8.484 0.375 1.802 1.00 0.24 H new ATOM 0 HG21 VAL A 19 6.477 1.804 -0.042 1.00 0.20 H new ATOM 0 HG22 VAL A 19 7.064 2.498 1.488 1.00 0.20 H new ATOM 0 HG23 VAL A 19 7.235 3.414 -0.028 1.00 0.20 H new ATOM 489 N ARG A 20 9.878 3.957 -1.188 1.00 0.26 N ATOM 490 CA ARG A 20 9.905 5.168 -1.996 1.00 0.27 C ATOM 491 C ARG A 20 8.742 5.171 -2.977 1.00 0.26 C ATOM 492 O ARG A 20 8.275 4.112 -3.401 1.00 0.25 O ATOM 493 CB ARG A 20 11.230 5.266 -2.757 1.00 0.30 C ATOM 494 CG ARG A 20 11.567 6.677 -3.211 1.00 0.32 C ATOM 495 CD ARG A 20 12.630 7.304 -2.326 1.00 0.34 C ATOM 496 NE ARG A 20 13.040 8.619 -2.811 1.00 0.36 N ATOM 497 CZ ARG A 20 14.254 8.886 -3.290 1.00 0.39 C ATOM 498 NH1 ARG A 20 15.176 7.934 -3.346 1.00 0.40 N ATOM 499 NH2 ARG A 20 14.544 10.109 -3.715 1.00 0.42 N ATOM 0 H ARG A 20 9.960 3.094 -1.726 1.00 0.26 H new ATOM 0 HA ARG A 20 9.812 6.030 -1.335 1.00 0.27 H new ATOM 0 HB2 ARG A 20 12.034 4.896 -2.120 1.00 0.30 H new ATOM 0 HB3 ARG A 20 11.188 4.613 -3.629 1.00 0.30 H new ATOM 0 HG2 ARG A 20 11.917 6.655 -4.243 1.00 0.32 H new ATOM 0 HG3 ARG A 20 10.667 7.292 -3.193 1.00 0.32 H new ATOM 0 HD2 ARG A 20 12.247 7.396 -1.309 1.00 0.34 H new ATOM 0 HD3 ARG A 20 13.499 6.647 -2.282 1.00 0.34 H new ATOM 0 HE ARG A 20 12.358 9.377 -2.781 1.00 0.36 H new ATOM 0 HH11 ARG A 20 14.957 6.992 -3.021 1.00 0.40 H new ATOM 0 HH12 ARG A 20 16.104 8.144 -3.714 1.00 0.40 H new ATOM 0 HH21 ARG A 20 13.838 10.844 -3.675 1.00 0.42 H new ATOM 0 HH22 ARG A 20 15.473 10.314 -4.082 1.00 0.42 H new ATOM 513 N VAL A 21 8.273 6.358 -3.336 1.00 0.26 N ATOM 514 CA VAL A 21 7.156 6.480 -4.264 1.00 0.26 C ATOM 515 C VAL A 21 7.578 6.135 -5.689 1.00 0.28 C ATOM 516 O VAL A 21 8.547 6.680 -6.214 1.00 0.31 O ATOM 517 CB VAL A 21 6.555 7.899 -4.246 1.00 0.27 C ATOM 518 CG1 VAL A 21 5.279 7.950 -5.073 1.00 0.27 C ATOM 519 CG2 VAL A 21 6.291 8.346 -2.816 1.00 0.27 C ATOM 0 H VAL A 21 8.646 7.246 -3.001 1.00 0.26 H new ATOM 0 HA VAL A 21 6.398 5.771 -3.932 1.00 0.26 H new ATOM 0 HB VAL A 21 7.275 8.586 -4.691 1.00 0.27 H new ATOM 0 HG11 VAL A 21 4.869 8.960 -5.048 1.00 0.27 H new ATOM 0 HG12 VAL A 21 5.502 7.674 -6.104 1.00 0.27 H new ATOM 0 HG13 VAL A 21 4.550 7.253 -4.660 1.00 0.27 H new ATOM 0 HG21 VAL A 21 5.867 9.350 -2.821 1.00 0.27 H new ATOM 0 HG22 VAL A 21 5.590 7.658 -2.343 1.00 0.27 H new ATOM 0 HG23 VAL A 21 7.227 8.351 -2.258 1.00 0.27 H new ATOM 529 N LEU A 22 6.848 5.213 -6.302 1.00 0.27 N ATOM 530 CA LEU A 22 7.127 4.796 -7.667 1.00 0.30 C ATOM 531 C LEU A 22 6.096 5.386 -8.620 1.00 0.31 C ATOM 532 O LEU A 22 6.344 5.528 -9.817 1.00 0.34 O ATOM 533 CB LEU A 22 7.128 3.271 -7.760 1.00 0.30 C ATOM 534 CG LEU A 22 7.950 2.549 -6.686 1.00 0.29 C ATOM 535 CD1 LEU A 22 7.995 1.055 -6.962 1.00 0.30 C ATOM 536 CD2 LEU A 22 9.361 3.119 -6.614 1.00 0.32 C ATOM 0 H LEU A 22 6.054 4.738 -5.872 1.00 0.27 H new ATOM 0 HA LEU A 22 8.112 5.164 -7.953 1.00 0.30 H new ATOM 0 HB2 LEU A 22 6.098 2.919 -7.703 1.00 0.30 H new ATOM 0 HB3 LEU A 22 7.509 2.984 -8.740 1.00 0.30 H new ATOM 0 HG LEU A 22 7.466 2.708 -5.723 1.00 0.29 H new ATOM 0 HD11 LEU A 22 8.583 0.560 -6.189 1.00 0.30 H new ATOM 0 HD12 LEU A 22 6.981 0.654 -6.960 1.00 0.30 H new ATOM 0 HD13 LEU A 22 8.453 0.878 -7.935 1.00 0.30 H new ATOM 0 HD21 LEU A 22 9.927 2.593 -5.846 1.00 0.32 H new ATOM 0 HD22 LEU A 22 9.854 2.993 -7.578 1.00 0.32 H new ATOM 0 HD23 LEU A 22 9.313 4.179 -6.367 1.00 0.32 H new ATOM 548 N GLU A 23 4.935 5.729 -8.069 1.00 0.29 N ATOM 549 CA GLU A 23 3.846 6.305 -8.847 1.00 0.30 C ATOM 550 C GLU A 23 2.824 6.960 -7.927 1.00 0.28 C ATOM 551 O GLU A 23 2.852 6.753 -6.711 1.00 0.25 O ATOM 552 CB GLU A 23 3.172 5.233 -9.704 1.00 0.29 C ATOM 553 CG GLU A 23 2.512 5.781 -10.960 1.00 0.32 C ATOM 554 CD GLU A 23 3.289 5.451 -12.218 1.00 0.36 C ATOM 555 OE1 GLU A 23 4.388 6.016 -12.404 1.00 0.38 O ATOM 556 OE2 GLU A 23 2.800 4.628 -13.020 1.00 0.36 O ATOM 0 H GLU A 23 4.725 5.616 -7.077 1.00 0.29 H new ATOM 0 HA GLU A 23 4.262 7.066 -9.507 1.00 0.30 H new ATOM 0 HB2 GLU A 23 3.915 4.488 -9.990 1.00 0.29 H new ATOM 0 HB3 GLU A 23 2.421 4.720 -9.104 1.00 0.29 H new ATOM 0 HG2 GLU A 23 1.504 5.375 -11.043 1.00 0.32 H new ATOM 0 HG3 GLU A 23 2.413 6.863 -10.872 1.00 0.32 H new ATOM 563 N ALA A 24 1.923 7.746 -8.504 1.00 0.30 N ATOM 564 CA ALA A 24 0.899 8.427 -7.722 1.00 0.29 C ATOM 565 C ALA A 24 -0.239 8.919 -8.607 1.00 0.32 C ATOM 566 O ALA A 24 -0.013 9.615 -9.597 1.00 0.35 O ATOM 567 CB ALA A 24 1.513 9.589 -6.958 1.00 0.31 C ATOM 0 H ALA A 24 1.881 7.927 -9.507 1.00 0.30 H new ATOM 0 HA ALA A 24 0.484 7.711 -7.012 1.00 0.29 H new ATOM 0 HB1 ALA A 24 0.740 10.091 -6.377 1.00 0.31 H new ATOM 0 HB2 ALA A 24 2.286 9.215 -6.287 1.00 0.31 H new ATOM 0 HB3 ALA A 24 1.954 10.295 -7.662 1.00 0.31 H new ATOM 573 N SER A 25 -1.466 8.551 -8.245 1.00 0.30 N ATOM 574 CA SER A 25 -2.643 8.962 -9.002 1.00 0.33 C ATOM 575 C SER A 25 -3.507 9.910 -8.176 1.00 0.35 C ATOM 576 O SER A 25 -3.496 9.861 -6.946 1.00 0.33 O ATOM 577 CB SER A 25 -3.459 7.740 -9.424 1.00 0.31 C ATOM 578 OG SER A 25 -3.946 7.885 -10.747 1.00 0.33 O ATOM 0 H SER A 25 -1.670 7.969 -7.432 1.00 0.30 H new ATOM 0 HA SER A 25 -2.309 9.487 -9.897 1.00 0.33 H new ATOM 0 HB2 SER A 25 -2.841 6.845 -9.357 1.00 0.31 H new ATOM 0 HB3 SER A 25 -4.295 7.602 -8.738 1.00 0.31 H new ATOM 0 HG SER A 25 -4.463 7.090 -10.994 1.00 0.33 H new ATOM 584 N GLU A 26 -4.253 10.773 -8.861 1.00 0.38 N ATOM 585 CA GLU A 26 -5.120 11.733 -8.189 1.00 0.41 C ATOM 586 C GLU A 26 -6.248 11.025 -7.445 1.00 0.39 C ATOM 587 O GLU A 26 -6.576 9.876 -7.744 1.00 0.37 O ATOM 588 CB GLU A 26 -5.703 12.721 -9.202 1.00 0.44 C ATOM 589 CG GLU A 26 -4.668 13.307 -10.148 1.00 0.46 C ATOM 590 CD GLU A 26 -3.734 14.284 -9.459 1.00 0.47 C ATOM 591 OE1 GLU A 26 -4.233 15.267 -8.872 1.00 0.50 O ATOM 592 OE2 GLU A 26 -2.505 14.066 -9.504 1.00 0.46 O ATOM 0 H GLU A 26 -4.274 10.826 -9.879 1.00 0.38 H new ATOM 0 HA GLU A 26 -4.519 12.279 -7.462 1.00 0.41 H new ATOM 0 HB2 GLU A 26 -6.473 12.217 -9.787 1.00 0.44 H new ATOM 0 HB3 GLU A 26 -6.192 13.533 -8.664 1.00 0.44 H new ATOM 0 HG2 GLU A 26 -4.083 12.498 -10.586 1.00 0.46 H new ATOM 0 HG3 GLU A 26 -5.177 13.813 -10.968 1.00 0.46 H new ATOM 599 N ALA A 27 -6.715 11.665 -6.398 1.00 0.41 N ATOM 600 CA ALA A 27 -7.721 11.092 -5.535 1.00 0.41 C ATOM 601 C ALA A 27 -9.120 11.129 -6.158 1.00 0.44 C ATOM 602 O ALA A 27 -9.622 12.184 -6.546 1.00 0.48 O ATOM 603 CB ALA A 27 -7.620 11.788 -4.194 1.00 0.43 C ATOM 0 H ALA A 27 -6.408 12.597 -6.121 1.00 0.41 H new ATOM 0 HA ALA A 27 -7.540 10.027 -5.391 1.00 0.41 H new ATOM 0 HB1 ALA A 27 -8.368 11.379 -3.515 1.00 0.43 H new ATOM 0 HB2 ALA A 27 -6.626 11.631 -3.776 1.00 0.43 H new ATOM 0 HB3 ALA A 27 -7.794 12.856 -4.324 1.00 0.43 H new ATOM 609 N ARG A 28 -9.732 9.941 -6.238 1.00 0.41 N ATOM 610 CA ARG A 28 -11.049 9.762 -6.852 1.00 0.43 C ATOM 611 C ARG A 28 -12.011 8.997 -5.927 1.00 0.43 C ATOM 612 O ARG A 28 -11.589 8.266 -5.034 1.00 0.44 O ATOM 613 CB ARG A 28 -10.865 9.017 -8.190 1.00 0.42 C ATOM 614 CG ARG A 28 -12.078 8.222 -8.662 1.00 0.56 C ATOM 615 CD ARG A 28 -11.682 6.848 -9.180 1.00 0.65 C ATOM 616 NE ARG A 28 -12.831 5.946 -9.268 1.00 0.86 N ATOM 617 CZ ARG A 28 -12.769 4.635 -9.036 1.00 1.02 C ATOM 618 NH1 ARG A 28 -11.613 4.062 -8.725 1.00 1.03 N ATOM 619 NH2 ARG A 28 -13.867 3.894 -9.116 1.00 1.24 N ATOM 0 H ARG A 28 -9.326 9.077 -5.878 1.00 0.41 H new ATOM 0 HA ARG A 28 -11.497 10.740 -7.027 1.00 0.43 H new ATOM 0 HB2 ARG A 28 -10.605 9.744 -8.960 1.00 0.42 H new ATOM 0 HB3 ARG A 28 -10.019 8.336 -8.095 1.00 0.42 H new ATOM 0 HG2 ARG A 28 -12.784 8.111 -7.839 1.00 0.56 H new ATOM 0 HG3 ARG A 28 -12.591 8.774 -9.449 1.00 0.56 H new ATOM 0 HD2 ARG A 28 -11.224 6.949 -10.164 1.00 0.65 H new ATOM 0 HD3 ARG A 28 -10.930 6.414 -8.521 1.00 0.65 H new ATOM 0 HE ARG A 28 -13.735 6.345 -9.522 1.00 0.86 H new ATOM 0 HH11 ARG A 28 -10.765 4.625 -8.662 1.00 1.03 H new ATOM 0 HH12 ARG A 28 -11.573 3.058 -8.549 1.00 1.03 H new ATOM 0 HH21 ARG A 28 -14.759 4.328 -9.355 1.00 1.24 H new ATOM 0 HH22 ARG A 28 -13.819 2.891 -8.938 1.00 1.24 H new ATOM 633 N GLN A 29 -13.308 9.174 -6.163 1.00 0.45 N ATOM 634 CA GLN A 29 -14.353 8.523 -5.378 1.00 0.46 C ATOM 635 C GLN A 29 -14.673 7.125 -5.901 1.00 0.44 C ATOM 636 O GLN A 29 -14.705 6.894 -7.108 1.00 0.43 O ATOM 637 CB GLN A 29 -15.630 9.360 -5.420 1.00 0.51 C ATOM 638 CG GLN A 29 -15.555 10.625 -4.595 1.00 0.54 C ATOM 639 CD GLN A 29 -16.846 11.420 -4.617 1.00 0.61 C ATOM 640 OE1 GLN A 29 -17.032 12.301 -5.455 1.00 0.74 O ATOM 641 NE2 GLN A 29 -17.749 11.111 -3.694 1.00 0.84 N ATOM 0 H GLN A 29 -13.665 9.775 -6.906 1.00 0.45 H new ATOM 0 HA GLN A 29 -13.982 8.435 -4.357 1.00 0.46 H new ATOM 0 HB2 GLN A 29 -15.847 9.624 -6.455 1.00 0.51 H new ATOM 0 HB3 GLN A 29 -16.463 8.754 -5.064 1.00 0.51 H new ATOM 0 HG2 GLN A 29 -15.310 10.367 -3.565 1.00 0.54 H new ATOM 0 HG3 GLN A 29 -14.743 11.249 -4.969 1.00 0.54 H new ATOM 0 HE21 GLN A 29 -17.555 10.373 -3.017 1.00 0.84 H new ATOM 0 HE22 GLN A 29 -18.637 11.612 -3.662 1.00 0.84 H new ATOM 650 N ILE A 30 -14.918 6.200 -4.979 1.00 0.43 N ATOM 651 CA ILE A 30 -15.270 4.837 -5.335 1.00 0.40 C ATOM 652 C ILE A 30 -16.617 4.478 -4.698 1.00 0.42 C ATOM 653 O ILE A 30 -17.058 5.133 -3.756 1.00 0.45 O ATOM 654 CB ILE A 30 -14.202 3.821 -4.868 1.00 0.38 C ATOM 655 CG1 ILE A 30 -14.262 3.672 -3.354 1.00 0.39 C ATOM 656 CG2 ILE A 30 -12.804 4.250 -5.301 1.00 0.35 C ATOM 657 CD1 ILE A 30 -13.538 2.448 -2.833 1.00 0.39 C ATOM 0 H ILE A 30 -14.878 6.375 -3.975 1.00 0.43 H new ATOM 0 HA ILE A 30 -15.331 4.784 -6.422 1.00 0.40 H new ATOM 0 HB ILE A 30 -14.415 2.860 -5.335 1.00 0.38 H new ATOM 0 HG12 ILE A 30 -13.832 4.561 -2.893 1.00 0.39 H new ATOM 0 HG13 ILE A 30 -15.306 3.625 -3.044 1.00 0.39 H new ATOM 0 HG21 ILE A 30 -12.075 3.516 -4.958 1.00 0.35 H new ATOM 0 HG22 ILE A 30 -12.765 4.319 -6.388 1.00 0.35 H new ATOM 0 HG23 ILE A 30 -12.571 5.222 -4.867 1.00 0.35 H new ATOM 0 HD11 ILE A 30 -13.624 2.409 -1.747 1.00 0.39 H new ATOM 0 HD12 ILE A 30 -13.982 1.551 -3.265 1.00 0.39 H new ATOM 0 HD13 ILE A 30 -12.486 2.502 -3.112 1.00 0.39 H new ATOM 669 N GLN A 31 -17.254 3.438 -5.207 1.00 0.41 N ATOM 670 CA GLN A 31 -18.546 2.997 -4.690 1.00 0.44 C ATOM 671 C GLN A 31 -18.433 1.622 -4.044 1.00 0.43 C ATOM 672 O GLN A 31 -18.188 0.625 -4.724 1.00 0.42 O ATOM 673 CB GLN A 31 -19.589 2.957 -5.811 1.00 0.44 C ATOM 674 CG GLN A 31 -20.076 4.329 -6.248 1.00 0.47 C ATOM 675 CD GLN A 31 -21.078 4.253 -7.385 1.00 0.50 C ATOM 676 OE1 GLN A 31 -22.285 4.167 -7.159 1.00 0.53 O ATOM 677 NE2 GLN A 31 -20.582 4.282 -8.616 1.00 0.50 N ATOM 0 H GLN A 31 -16.899 2.878 -5.982 1.00 0.41 H new ATOM 0 HA GLN A 31 -18.864 3.714 -3.933 1.00 0.44 H new ATOM 0 HB2 GLN A 31 -19.163 2.442 -6.672 1.00 0.44 H new ATOM 0 HB3 GLN A 31 -20.444 2.368 -5.478 1.00 0.44 H new ATOM 0 HG2 GLN A 31 -20.533 4.837 -5.398 1.00 0.47 H new ATOM 0 HG3 GLN A 31 -19.223 4.932 -6.559 1.00 0.47 H new ATOM 0 HE21 GLN A 31 -19.575 4.354 -8.758 1.00 0.50 H new ATOM 0 HE22 GLN A 31 -21.208 4.232 -9.420 1.00 0.50 H new ATOM 686 N THR A 32 -18.604 1.578 -2.728 1.00 0.45 N ATOM 687 CA THR A 32 -18.524 0.322 -1.985 1.00 0.46 C ATOM 688 C THR A 32 -19.892 -0.125 -1.499 1.00 0.50 C ATOM 689 O THR A 32 -20.915 0.468 -1.844 1.00 0.53 O ATOM 690 CB THR A 32 -17.584 0.434 -0.773 1.00 0.45 C ATOM 691 OG1 THR A 32 -18.104 1.378 0.167 1.00 0.48 O ATOM 692 CG2 THR A 32 -16.197 0.856 -1.220 1.00 0.42 C ATOM 0 H THR A 32 -18.799 2.397 -2.152 1.00 0.45 H new ATOM 0 HA THR A 32 -18.125 -0.417 -2.680 1.00 0.46 H new ATOM 0 HB THR A 32 -17.516 -0.542 -0.293 1.00 0.45 H new ATOM 0 HG1 THR A 32 -17.703 1.219 1.047 1.00 0.48 H new ATOM 0 HG21 THR A 32 -15.542 0.931 -0.352 1.00 0.42 H new ATOM 0 HG22 THR A 32 -15.797 0.116 -1.913 1.00 0.42 H new ATOM 0 HG23 THR A 32 -16.254 1.825 -1.717 1.00 0.42 H new ATOM 743 N VAL A 36 -20.055 5.624 -0.279 1.00 0.59 N ATOM 744 CA VAL A 36 -19.001 6.189 -1.111 1.00 0.56 C ATOM 745 C VAL A 36 -17.862 6.770 -0.268 1.00 0.55 C ATOM 746 O VAL A 36 -18.076 7.367 0.788 1.00 0.59 O ATOM 747 CB VAL A 36 -19.553 7.248 -2.093 1.00 0.57 C ATOM 748 CG1 VAL A 36 -20.272 8.368 -1.355 1.00 0.61 C ATOM 749 CG2 VAL A 36 -18.445 7.808 -2.970 1.00 0.56 C ATOM 0 HA VAL A 36 -18.593 5.369 -1.701 1.00 0.56 H new ATOM 0 HB VAL A 36 -20.280 6.751 -2.736 1.00 0.57 H new ATOM 0 HG11 VAL A 36 -20.648 9.095 -2.075 1.00 0.61 H new ATOM 0 HG12 VAL A 36 -21.106 7.954 -0.789 1.00 0.61 H new ATOM 0 HG13 VAL A 36 -19.578 8.858 -0.672 1.00 0.61 H new ATOM 0 HG21 VAL A 36 -18.860 8.551 -3.651 1.00 0.56 H new ATOM 0 HG22 VAL A 36 -17.686 8.275 -2.343 1.00 0.56 H new ATOM 0 HG23 VAL A 36 -17.993 7.000 -3.546 1.00 0.56 H new ATOM 759 N ARG A 37 -16.650 6.550 -0.759 1.00 0.52 N ATOM 760 CA ARG A 37 -15.420 6.994 -0.118 1.00 0.51 C ATOM 761 C ARG A 37 -14.451 7.531 -1.152 1.00 0.49 C ATOM 762 O ARG A 37 -14.657 7.360 -2.351 1.00 0.47 O ATOM 763 CB ARG A 37 -14.823 5.901 0.703 1.00 0.49 C ATOM 764 CG ARG A 37 -14.867 4.526 0.058 1.00 0.47 C ATOM 765 CD ARG A 37 -16.187 3.839 0.353 1.00 0.52 C ATOM 766 NE ARG A 37 -16.196 3.188 1.664 1.00 0.49 N ATOM 767 CZ ARG A 37 -17.139 3.375 2.589 1.00 0.53 C ATOM 768 NH1 ARG A 37 -18.156 4.199 2.361 1.00 0.65 N ATOM 769 NH2 ARG A 37 -17.064 2.736 3.748 1.00 0.56 N ATOM 0 H ARG A 37 -16.491 6.047 -1.632 1.00 0.52 H new ATOM 0 HA ARG A 37 -15.653 7.810 0.566 1.00 0.51 H new ATOM 0 HB2 ARG A 37 -13.785 6.153 0.919 1.00 0.49 H new ATOM 0 HB3 ARG A 37 -15.345 5.856 1.659 1.00 0.49 H new ATOM 0 HG2 ARG A 37 -14.733 4.620 -1.020 1.00 0.47 H new ATOM 0 HG3 ARG A 37 -14.043 3.917 0.430 1.00 0.47 H new ATOM 0 HD2 ARG A 37 -16.993 4.572 0.309 1.00 0.52 H new ATOM 0 HD3 ARG A 37 -16.388 3.097 -0.420 1.00 0.52 H new ATOM 0 HE ARG A 37 -15.432 2.550 1.885 1.00 0.49 H new ATOM 0 HH11 ARG A 37 -18.221 4.695 1.472 1.00 0.65 H new ATOM 0 HH12 ARG A 37 -18.872 4.335 3.075 1.00 0.65 H new ATOM 0 HH21 ARG A 37 -16.286 2.102 3.932 1.00 0.56 H new ATOM 0 HH22 ARG A 37 -17.784 2.878 4.456 1.00 0.56 H new ATOM 783 N THR A 38 -13.395 8.178 -0.690 1.00 0.48 N ATOM 784 CA THR A 38 -12.445 8.802 -1.592 1.00 0.46 C ATOM 785 C THR A 38 -11.083 8.206 -1.425 1.00 0.42 C ATOM 786 O THR A 38 -10.404 8.452 -0.443 1.00 0.42 O ATOM 787 CB THR A 38 -12.347 10.314 -1.349 1.00 0.50 C ATOM 788 OG1 THR A 38 -12.501 10.600 0.045 1.00 0.53 O ATOM 789 CG2 THR A 38 -13.388 11.075 -2.146 1.00 0.53 C ATOM 0 H THR A 38 -13.175 8.284 0.300 1.00 0.48 H new ATOM 0 HA THR A 38 -12.808 8.624 -2.604 1.00 0.46 H new ATOM 0 HB THR A 38 -11.361 10.640 -1.682 1.00 0.50 H new ATOM 0 HG1 THR A 38 -12.435 11.567 0.190 1.00 0.53 H new ATOM 0 HG21 THR A 38 -13.288 12.142 -1.949 1.00 0.53 H new ATOM 0 HG22 THR A 38 -13.241 10.887 -3.210 1.00 0.53 H new ATOM 0 HG23 THR A 38 -14.384 10.743 -1.853 1.00 0.53 H new ATOM 797 N ILE A 39 -10.671 7.441 -2.397 1.00 0.39 N ATOM 798 CA ILE A 39 -9.388 6.799 -2.330 1.00 0.35 C ATOM 799 C ILE A 39 -8.577 7.038 -3.580 1.00 0.33 C ATOM 800 O ILE A 39 -9.024 7.684 -4.523 1.00 0.36 O ATOM 801 CB ILE A 39 -9.553 5.299 -2.150 1.00 0.33 C ATOM 802 CG1 ILE A 39 -10.458 4.756 -3.228 1.00 0.33 C ATOM 803 CG2 ILE A 39 -10.133 4.999 -0.799 1.00 0.35 C ATOM 804 CD1 ILE A 39 -10.056 3.382 -3.683 1.00 0.29 C ATOM 0 H ILE A 39 -11.204 7.247 -3.244 1.00 0.39 H new ATOM 0 HA ILE A 39 -8.864 7.229 -1.477 1.00 0.35 H new ATOM 0 HB ILE A 39 -8.575 4.823 -2.225 1.00 0.33 H new ATOM 0 HG12 ILE A 39 -11.482 4.726 -2.856 1.00 0.33 H new ATOM 0 HG13 ILE A 39 -10.448 5.434 -4.081 1.00 0.33 H new ATOM 0 HG21 ILE A 39 -10.246 3.921 -0.683 1.00 0.35 H new ATOM 0 HG22 ILE A 39 -9.467 5.380 -0.024 1.00 0.35 H new ATOM 0 HG23 ILE A 39 -11.108 5.478 -0.707 1.00 0.35 H new ATOM 0 HD11 ILE A 39 -10.741 3.041 -4.459 1.00 0.29 H new ATOM 0 HD12 ILE A 39 -9.042 3.413 -4.082 1.00 0.29 H new ATOM 0 HD13 ILE A 39 -10.092 2.694 -2.838 1.00 0.29 H new ATOM 816 N SER A 40 -7.380 6.509 -3.568 1.00 0.29 N ATOM 817 CA SER A 40 -6.492 6.632 -4.691 1.00 0.28 C ATOM 818 C SER A 40 -5.494 5.503 -4.671 1.00 0.24 C ATOM 819 O SER A 40 -5.356 4.799 -3.669 1.00 0.22 O ATOM 820 CB SER A 40 -5.762 7.961 -4.657 1.00 0.30 C ATOM 821 OG SER A 40 -5.106 8.195 -5.881 1.00 0.30 O ATOM 0 H SER A 40 -6.997 5.984 -2.782 1.00 0.29 H new ATOM 0 HA SER A 40 -7.081 6.585 -5.607 1.00 0.28 H new ATOM 0 HB2 SER A 40 -6.469 8.766 -4.457 1.00 0.30 H new ATOM 0 HB3 SER A 40 -5.037 7.964 -3.843 1.00 0.30 H new ATOM 0 HG SER A 40 -4.624 9.047 -5.836 1.00 0.30 H new ATOM 827 N GLU A 41 -4.790 5.341 -5.770 1.00 0.23 N ATOM 828 CA GLU A 41 -3.816 4.291 -5.875 1.00 0.20 C ATOM 829 C GLU A 41 -2.448 4.862 -6.227 1.00 0.20 C ATOM 830 O GLU A 41 -2.327 5.732 -7.090 1.00 0.24 O ATOM 831 CB GLU A 41 -4.285 3.282 -6.918 1.00 0.21 C ATOM 832 CG GLU A 41 -3.722 1.883 -6.725 1.00 0.21 C ATOM 833 CD GLU A 41 -2.990 1.364 -7.947 1.00 0.35 C ATOM 834 OE1 GLU A 41 -3.393 1.711 -9.077 1.00 0.48 O ATOM 835 OE2 GLU A 41 -2.013 0.607 -7.772 1.00 0.53 O ATOM 0 H GLU A 41 -4.878 5.926 -6.601 1.00 0.23 H new ATOM 0 HA GLU A 41 -3.716 3.784 -4.915 1.00 0.20 H new ATOM 0 HB2 GLU A 41 -5.374 3.230 -6.894 1.00 0.21 H new ATOM 0 HB3 GLU A 41 -4.004 3.642 -7.908 1.00 0.21 H new ATOM 0 HG2 GLU A 41 -3.040 1.886 -5.874 1.00 0.21 H new ATOM 0 HG3 GLU A 41 -4.536 1.201 -6.479 1.00 0.21 H new ATOM 842 N ALA A 42 -1.424 4.369 -5.544 1.00 0.17 N ATOM 843 CA ALA A 42 -0.058 4.834 -5.751 1.00 0.18 C ATOM 844 C ALA A 42 0.931 3.687 -5.594 1.00 0.17 C ATOM 845 O ALA A 42 0.877 2.942 -4.623 1.00 0.15 O ATOM 846 CB ALA A 42 0.256 5.938 -4.759 1.00 0.20 C ATOM 0 H ALA A 42 -1.514 3.641 -4.836 1.00 0.17 H new ATOM 0 HA ALA A 42 0.033 5.223 -6.765 1.00 0.18 H new ATOM 0 HB1 ALA A 42 1.277 6.286 -4.913 1.00 0.20 H new ATOM 0 HB2 ALA A 42 -0.436 6.767 -4.906 1.00 0.20 H new ATOM 0 HB3 ALA A 42 0.153 5.555 -3.744 1.00 0.20 H new ATOM 852 N ILE A 43 1.828 3.543 -6.559 1.00 0.19 N ATOM 853 CA ILE A 43 2.825 2.480 -6.525 1.00 0.20 C ATOM 854 C ILE A 43 4.070 2.881 -5.721 1.00 0.21 C ATOM 855 O ILE A 43 4.582 3.978 -5.864 1.00 0.23 O ATOM 856 CB ILE A 43 3.253 2.089 -7.960 1.00 0.23 C ATOM 857 CG1 ILE A 43 2.022 1.802 -8.825 1.00 0.24 C ATOM 858 CG2 ILE A 43 4.180 0.882 -7.950 1.00 0.25 C ATOM 859 CD1 ILE A 43 1.073 0.791 -8.218 1.00 0.21 C ATOM 0 H ILE A 43 1.887 4.150 -7.377 1.00 0.19 H new ATOM 0 HA ILE A 43 2.359 1.627 -6.032 1.00 0.20 H new ATOM 0 HB ILE A 43 3.798 2.931 -8.387 1.00 0.23 H new ATOM 0 HG12 ILE A 43 1.484 2.734 -8.996 1.00 0.24 H new ATOM 0 HG13 ILE A 43 2.350 1.440 -9.799 1.00 0.24 H new ATOM 0 HG21 ILE A 43 4.463 0.632 -8.973 1.00 0.25 H new ATOM 0 HG22 ILE A 43 5.075 1.115 -7.373 1.00 0.25 H new ATOM 0 HG23 ILE A 43 3.667 0.033 -7.498 1.00 0.25 H new ATOM 0 HD11 ILE A 43 0.226 0.639 -8.887 1.00 0.21 H new ATOM 0 HD12 ILE A 43 1.594 -0.155 -8.072 1.00 0.21 H new ATOM 0 HD13 ILE A 43 0.715 1.160 -7.257 1.00 0.21 H new ATOM 871 N VAL A 44 4.469 1.998 -4.816 1.00 0.19 N ATOM 872 CA VAL A 44 5.666 2.131 -3.986 1.00 0.20 C ATOM 873 C VAL A 44 6.440 0.857 -4.018 1.00 0.22 C ATOM 874 O VAL A 44 5.967 -0.194 -4.452 1.00 0.23 O ATOM 875 CB VAL A 44 5.297 2.276 -2.476 1.00 0.21 C ATOM 876 CG1 VAL A 44 4.943 3.683 -2.099 1.00 0.27 C ATOM 877 CG2 VAL A 44 4.021 1.603 -2.315 1.00 0.16 C ATOM 0 H VAL A 44 3.953 1.138 -4.630 1.00 0.19 H new ATOM 0 HA VAL A 44 6.209 2.995 -4.369 1.00 0.20 H new ATOM 0 HB VAL A 44 6.142 1.908 -1.894 1.00 0.21 H new ATOM 0 HG11 VAL A 44 4.695 3.724 -1.038 1.00 0.27 H new ATOM 0 HG12 VAL A 44 5.791 4.338 -2.299 1.00 0.27 H new ATOM 0 HG13 VAL A 44 4.085 4.012 -2.685 1.00 0.27 H new ATOM 0 HG21 VAL A 44 3.704 1.668 -1.274 1.00 0.16 H new ATOM 0 HG22 VAL A 44 3.276 2.079 -2.952 1.00 0.16 H new ATOM 0 HG23 VAL A 44 4.124 0.555 -2.598 1.00 0.16 H new ATOM 887 N GLY A 45 7.617 0.973 -3.517 1.00 0.24 N ATOM 888 CA GLY A 45 8.431 -0.206 -3.280 1.00 0.26 C ATOM 889 C GLY A 45 9.839 0.128 -2.827 1.00 0.29 C ATOM 890 O GLY A 45 10.250 1.289 -2.854 1.00 0.29 O ATOM 0 H GLY A 45 8.053 1.858 -3.258 1.00 0.24 H new ATOM 0 HA2 GLY A 45 7.950 -0.827 -2.525 1.00 0.26 H new ATOM 0 HA3 GLY A 45 8.480 -0.797 -4.195 1.00 0.26 H new ATOM 894 N ASP A 46 10.578 -0.896 -2.410 1.00 0.31 N ATOM 895 CA ASP A 46 11.948 -0.718 -1.947 1.00 0.34 C ATOM 896 C ASP A 46 12.892 -1.661 -2.684 1.00 0.38 C ATOM 897 O ASP A 46 12.539 -2.221 -3.721 1.00 0.39 O ATOM 898 CB ASP A 46 12.038 -0.960 -0.438 1.00 0.33 C ATOM 899 CG ASP A 46 11.522 -2.329 -0.035 1.00 0.34 C ATOM 900 OD1 ASP A 46 11.140 -3.112 -0.931 1.00 0.34 O ATOM 901 OD2 ASP A 46 11.496 -2.618 1.181 1.00 0.34 O ATOM 0 H ASP A 46 10.248 -1.861 -2.384 1.00 0.31 H new ATOM 0 HA ASP A 46 12.247 0.309 -2.158 1.00 0.34 H new ATOM 0 HB2 ASP A 46 13.075 -0.858 -0.119 1.00 0.33 H new ATOM 0 HB3 ASP A 46 11.467 -0.192 0.084 1.00 0.33 H new ATOM 906 N GLU A 47 14.093 -1.837 -2.139 1.00 0.40 N ATOM 907 CA GLU A 47 15.088 -2.710 -2.750 1.00 0.44 C ATOM 908 C GLU A 47 14.767 -4.182 -2.498 1.00 0.45 C ATOM 909 O GLU A 47 15.516 -5.066 -2.913 1.00 0.49 O ATOM 910 CB GLU A 47 16.482 -2.384 -2.209 1.00 0.46 C ATOM 911 CG GLU A 47 16.536 -2.259 -0.693 1.00 0.45 C ATOM 912 CD GLU A 47 17.690 -3.032 -0.086 1.00 0.48 C ATOM 913 OE1 GLU A 47 17.826 -4.234 -0.394 1.00 0.51 O ATOM 914 OE2 GLU A 47 18.457 -2.435 0.700 1.00 0.49 O ATOM 0 H GLU A 47 14.399 -1.387 -1.277 1.00 0.40 H new ATOM 0 HA GLU A 47 15.067 -2.536 -3.826 1.00 0.44 H new ATOM 0 HB2 GLU A 47 17.176 -3.163 -2.525 1.00 0.46 H new ATOM 0 HB3 GLU A 47 16.826 -1.450 -2.654 1.00 0.46 H new ATOM 0 HG2 GLU A 47 16.625 -1.207 -0.422 1.00 0.45 H new ATOM 0 HG3 GLU A 47 15.599 -2.619 -0.269 1.00 0.45 H new ATOM 921 N THR A 48 13.653 -4.439 -1.818 1.00 0.43 N ATOM 922 CA THR A 48 13.248 -5.808 -1.512 1.00 0.44 C ATOM 923 C THR A 48 12.069 -6.254 -2.372 1.00 0.43 C ATOM 924 O THR A 48 11.573 -7.372 -2.221 1.00 0.44 O ATOM 925 CB THR A 48 12.873 -5.954 -0.030 1.00 0.43 C ATOM 926 OG1 THR A 48 11.526 -5.520 0.181 1.00 0.39 O ATOM 927 CG2 THR A 48 13.815 -5.139 0.841 1.00 0.43 C ATOM 0 H THR A 48 13.017 -3.721 -1.470 1.00 0.43 H new ATOM 0 HA THR A 48 14.104 -6.445 -1.734 1.00 0.44 H new ATOM 0 HB THR A 48 12.960 -7.005 0.245 1.00 0.43 H new ATOM 0 HG1 THR A 48 11.321 -4.781 -0.429 1.00 0.39 H new ATOM 0 HG21 THR A 48 13.534 -5.255 1.888 1.00 0.43 H new ATOM 0 HG22 THR A 48 14.837 -5.490 0.699 1.00 0.43 H new ATOM 0 HG23 THR A 48 13.750 -4.087 0.562 1.00 0.43 H new ATOM 935 N GLY A 49 11.623 -5.384 -3.271 1.00 0.41 N ATOM 936 CA GLY A 49 10.507 -5.724 -4.137 1.00 0.41 C ATOM 937 C GLY A 49 9.616 -4.536 -4.445 1.00 0.37 C ATOM 938 O GLY A 49 10.091 -3.405 -4.547 1.00 0.36 O ATOM 0 H GLY A 49 12.012 -4.452 -3.416 1.00 0.41 H new ATOM 0 HA2 GLY A 49 10.890 -6.136 -5.071 1.00 0.41 H new ATOM 0 HA3 GLY A 49 9.912 -6.505 -3.664 1.00 0.41 H new ATOM 942 N ARG A 50 8.336 -4.818 -4.640 1.00 0.35 N ATOM 943 CA ARG A 50 7.370 -3.807 -4.968 1.00 0.31 C ATOM 944 C ARG A 50 5.975 -4.268 -4.580 1.00 0.29 C ATOM 945 O ARG A 50 5.631 -5.441 -4.712 1.00 0.31 O ATOM 946 CB ARG A 50 7.411 -3.508 -6.459 1.00 0.33 C ATOM 947 CG ARG A 50 6.367 -2.507 -6.882 1.00 0.30 C ATOM 948 CD ARG A 50 5.919 -2.748 -8.309 1.00 0.32 C ATOM 949 NE ARG A 50 6.835 -2.168 -9.284 1.00 0.36 N ATOM 950 CZ ARG A 50 6.455 -1.665 -10.456 1.00 0.38 C ATOM 951 NH1 ARG A 50 5.172 -1.656 -10.796 1.00 0.38 N ATOM 952 NH2 ARG A 50 7.360 -1.168 -11.288 1.00 0.42 N ATOM 0 H ARG A 50 7.948 -5.759 -4.573 1.00 0.35 H new ATOM 0 HA ARG A 50 7.614 -2.901 -4.413 1.00 0.31 H new ATOM 0 HB2 ARG A 50 8.399 -3.129 -6.722 1.00 0.33 H new ATOM 0 HB3 ARG A 50 7.266 -4.434 -7.015 1.00 0.33 H new ATOM 0 HG2 ARG A 50 5.508 -2.570 -6.214 1.00 0.30 H new ATOM 0 HG3 ARG A 50 6.769 -1.498 -6.790 1.00 0.30 H new ATOM 0 HD2 ARG A 50 5.837 -3.821 -8.485 1.00 0.32 H new ATOM 0 HD3 ARG A 50 4.925 -2.324 -8.451 1.00 0.32 H new ATOM 0 HE ARG A 50 7.828 -2.146 -9.054 1.00 0.36 H new ATOM 0 HH11 ARG A 50 4.473 -2.036 -10.158 1.00 0.38 H new ATOM 0 HH12 ARG A 50 4.885 -1.269 -11.695 1.00 0.38 H new ATOM 0 HH21 ARG A 50 8.347 -1.171 -11.030 1.00 0.42 H new ATOM 0 HH22 ARG A 50 7.069 -0.782 -12.186 1.00 0.42 H new ATOM 966 N VAL A 51 5.187 -3.328 -4.113 1.00 0.25 N ATOM 967 CA VAL A 51 3.826 -3.592 -3.691 1.00 0.23 C ATOM 968 C VAL A 51 2.925 -2.376 -3.940 1.00 0.19 C ATOM 969 O VAL A 51 3.298 -1.241 -3.646 1.00 0.18 O ATOM 970 CB VAL A 51 3.786 -3.976 -2.195 1.00 0.23 C ATOM 971 CG1 VAL A 51 4.495 -2.934 -1.341 1.00 0.22 C ATOM 972 CG2 VAL A 51 2.358 -4.153 -1.743 1.00 0.21 C ATOM 0 H VAL A 51 5.471 -2.353 -4.014 1.00 0.25 H new ATOM 0 HA VAL A 51 3.451 -4.427 -4.283 1.00 0.23 H new ATOM 0 HB VAL A 51 4.314 -4.922 -2.070 1.00 0.23 H new ATOM 0 HG11 VAL A 51 4.451 -3.231 -0.293 1.00 0.22 H new ATOM 0 HG12 VAL A 51 5.537 -2.856 -1.652 1.00 0.22 H new ATOM 0 HG13 VAL A 51 4.006 -1.968 -1.465 1.00 0.22 H new ATOM 0 HG21 VAL A 51 2.341 -4.424 -0.687 1.00 0.21 H new ATOM 0 HG22 VAL A 51 1.812 -3.220 -1.887 1.00 0.21 H new ATOM 0 HG23 VAL A 51 1.887 -4.943 -2.327 1.00 0.21 H new ATOM 982 N LYS A 52 1.747 -2.622 -4.512 1.00 0.18 N ATOM 983 CA LYS A 52 0.783 -1.560 -4.796 1.00 0.15 C ATOM 984 C LYS A 52 0.204 -0.968 -3.500 1.00 0.13 C ATOM 985 O LYS A 52 -0.249 -1.704 -2.624 1.00 0.14 O ATOM 986 CB LYS A 52 -0.348 -2.105 -5.678 1.00 0.16 C ATOM 987 CG LYS A 52 0.122 -3.120 -6.714 1.00 0.21 C ATOM 988 CD LYS A 52 -0.202 -2.674 -8.131 1.00 0.23 C ATOM 989 CE LYS A 52 0.544 -3.505 -9.167 1.00 0.29 C ATOM 990 NZ LYS A 52 0.160 -4.943 -9.106 1.00 0.28 N ATOM 0 H LYS A 52 1.436 -3.553 -4.789 1.00 0.18 H new ATOM 0 HA LYS A 52 1.303 -0.762 -5.325 1.00 0.15 H new ATOM 0 HB2 LYS A 52 -1.102 -2.570 -5.042 1.00 0.16 H new ATOM 0 HB3 LYS A 52 -0.832 -1.273 -6.190 1.00 0.16 H new ATOM 0 HG2 LYS A 52 1.198 -3.267 -6.617 1.00 0.21 H new ATOM 0 HG3 LYS A 52 -0.350 -4.083 -6.519 1.00 0.21 H new ATOM 0 HD2 LYS A 52 -1.275 -2.757 -8.302 1.00 0.23 H new ATOM 0 HD3 LYS A 52 0.060 -1.623 -8.251 1.00 0.23 H new ATOM 0 HE2 LYS A 52 0.336 -3.115 -10.163 1.00 0.29 H new ATOM 0 HE3 LYS A 52 1.618 -3.409 -9.005 1.00 0.29 H new ATOM 0 HZ1 LYS A 52 0.638 -5.463 -9.870 1.00 0.28 H new ATOM 0 HZ2 LYS A 52 0.444 -5.339 -8.187 1.00 0.28 H new ATOM 0 HZ3 LYS A 52 -0.870 -5.032 -9.218 1.00 0.28 H new ATOM 1004 N LEU A 53 0.234 0.364 -3.388 1.00 0.12 N ATOM 1005 CA LEU A 53 -0.286 1.063 -2.206 1.00 0.12 C ATOM 1006 C LEU A 53 -1.664 1.674 -2.488 1.00 0.13 C ATOM 1007 O LEU A 53 -1.917 2.222 -3.560 1.00 0.13 O ATOM 1008 CB LEU A 53 0.705 2.155 -1.762 1.00 0.13 C ATOM 1009 CG LEU A 53 0.581 2.672 -0.315 1.00 0.15 C ATOM 1010 CD1 LEU A 53 -0.556 3.671 -0.171 1.00 0.19 C ATOM 1011 CD2 LEU A 53 0.396 1.522 0.661 1.00 0.17 C ATOM 0 H LEU A 53 0.614 0.983 -4.104 1.00 0.12 H new ATOM 0 HA LEU A 53 -0.400 0.337 -1.401 1.00 0.12 H new ATOM 0 HB2 LEU A 53 1.716 1.770 -1.898 1.00 0.13 H new ATOM 0 HB3 LEU A 53 0.595 3.005 -2.435 1.00 0.13 H new ATOM 0 HG LEU A 53 1.513 3.186 -0.077 1.00 0.15 H new ATOM 0 HD11 LEU A 53 -0.612 4.012 0.863 1.00 0.19 H new ATOM 0 HD12 LEU A 53 -0.376 4.524 -0.826 1.00 0.19 H new ATOM 0 HD13 LEU A 53 -1.497 3.194 -0.447 1.00 0.19 H new ATOM 0 HD21 LEU A 53 0.311 1.915 1.674 1.00 0.17 H new ATOM 0 HD22 LEU A 53 -0.511 0.972 0.408 1.00 0.17 H new ATOM 0 HD23 LEU A 53 1.254 0.853 0.602 1.00 0.17 H new ATOM 1023 N THR A 54 -2.541 1.553 -1.502 1.00 0.16 N ATOM 1024 CA THR A 54 -3.902 2.059 -1.580 1.00 0.18 C ATOM 1025 C THR A 54 -4.219 2.966 -0.409 1.00 0.22 C ATOM 1026 O THR A 54 -4.362 2.514 0.716 1.00 0.25 O ATOM 1027 CB THR A 54 -4.964 0.954 -1.606 1.00 0.21 C ATOM 1028 OG1 THR A 54 -4.462 -0.218 -2.260 1.00 0.22 O ATOM 1029 CG2 THR A 54 -6.189 1.476 -2.331 1.00 0.23 C ATOM 0 H THR A 54 -2.324 1.096 -0.616 1.00 0.16 H new ATOM 0 HA THR A 54 -3.941 2.606 -2.522 1.00 0.18 H new ATOM 0 HB THR A 54 -5.226 0.679 -0.584 1.00 0.21 H new ATOM 0 HG1 THR A 54 -3.798 -0.654 -1.686 1.00 0.22 H new ATOM 0 HG21 THR A 54 -6.954 0.700 -2.358 1.00 0.23 H new ATOM 0 HG22 THR A 54 -6.577 2.350 -1.808 1.00 0.23 H new ATOM 0 HG23 THR A 54 -5.918 1.754 -3.350 1.00 0.23 H new ATOM 1037 N LEU A 55 -4.362 4.227 -0.689 1.00 0.22 N ATOM 1038 CA LEU A 55 -4.678 5.215 0.319 1.00 0.26 C ATOM 1039 C LEU A 55 -6.182 5.261 0.550 1.00 0.28 C ATOM 1040 O LEU A 55 -6.955 4.947 -0.353 1.00 0.28 O ATOM 1041 CB LEU A 55 -4.179 6.546 -0.171 1.00 0.26 C ATOM 1042 CG LEU A 55 -2.875 6.466 -0.964 1.00 0.24 C ATOM 1043 CD1 LEU A 55 -3.069 7.045 -2.338 1.00 0.24 C ATOM 1044 CD2 LEU A 55 -1.751 7.181 -0.249 1.00 0.25 C ATOM 0 H LEU A 55 -4.263 4.610 -1.629 1.00 0.22 H new ATOM 0 HA LEU A 55 -4.202 4.962 1.266 1.00 0.26 H new ATOM 0 HB2 LEU A 55 -4.946 7.002 -0.797 1.00 0.26 H new ATOM 0 HB3 LEU A 55 -4.032 7.205 0.685 1.00 0.26 H new ATOM 0 HG LEU A 55 -2.599 5.415 -1.054 1.00 0.24 H new ATOM 0 HD11 LEU A 55 -2.134 6.983 -2.894 1.00 0.24 H new ATOM 0 HD12 LEU A 55 -3.842 6.484 -2.863 1.00 0.24 H new ATOM 0 HD13 LEU A 55 -3.372 8.089 -2.254 1.00 0.24 H new ATOM 0 HD21 LEU A 55 -0.838 7.105 -0.839 1.00 0.25 H new ATOM 0 HD22 LEU A 55 -2.013 8.231 -0.118 1.00 0.25 H new ATOM 0 HD23 LEU A 55 -1.591 6.723 0.727 1.00 0.25 H new ATOM 1056 N TRP A 56 -6.601 5.667 1.745 1.00 0.32 N ATOM 1057 CA TRP A 56 -8.024 5.692 2.063 1.00 0.36 C ATOM 1058 C TRP A 56 -8.507 7.020 2.667 1.00 0.40 C ATOM 1059 O TRP A 56 -8.019 7.476 3.702 1.00 0.42 O ATOM 1060 CB TRP A 56 -8.341 4.505 2.974 1.00 0.36 C ATOM 1061 CG TRP A 56 -8.453 3.224 2.193 1.00 0.33 C ATOM 1062 CD1 TRP A 56 -7.444 2.334 1.938 1.00 0.30 C ATOM 1063 CD2 TRP A 56 -9.630 2.702 1.540 1.00 0.34 C ATOM 1064 NE1 TRP A 56 -7.903 1.307 1.157 1.00 0.30 N ATOM 1065 CE2 TRP A 56 -9.258 1.499 0.909 1.00 0.31 C ATOM 1066 CE3 TRP A 56 -10.957 3.136 1.425 1.00 0.38 C ATOM 1067 CZ2 TRP A 56 -10.175 0.736 0.182 1.00 0.32 C ATOM 1068 CZ3 TRP A 56 -11.843 2.378 0.705 1.00 0.38 C ATOM 1069 CH2 TRP A 56 -11.453 1.195 0.096 1.00 0.34 C ATOM 0 H TRP A 56 -5.987 5.978 2.498 1.00 0.32 H new ATOM 0 HA TRP A 56 -8.576 5.606 1.127 1.00 0.36 H new ATOM 0 HB2 TRP A 56 -7.560 4.405 3.728 1.00 0.36 H new ATOM 0 HB3 TRP A 56 -9.275 4.692 3.505 1.00 0.36 H new ATOM 0 HD1 TRP A 56 -6.431 2.428 2.301 1.00 0.30 H new ATOM 0 HE1 TRP A 56 -7.342 0.528 0.813 1.00 0.30 H new ATOM 0 HE3 TRP A 56 -11.277 4.054 1.896 1.00 0.38 H new ATOM 0 HZ2 TRP A 56 -9.880 -0.187 -0.295 1.00 0.32 H new ATOM 0 HZ3 TRP A 56 -12.867 2.709 0.610 1.00 0.38 H new ATOM 0 HH2 TRP A 56 -12.182 0.624 -0.460 1.00 0.34 H new ATOM 1080 N GLY A 57 -9.480 7.614 1.970 1.00 0.42 N ATOM 1081 CA GLY A 57 -10.108 8.871 2.362 1.00 0.47 C ATOM 1082 C GLY A 57 -9.214 10.097 2.205 1.00 0.47 C ATOM 1083 O GLY A 57 -9.111 10.645 1.106 1.00 0.46 O ATOM 0 H GLY A 57 -9.856 7.226 1.105 1.00 0.42 H new ATOM 0 HA2 GLY A 57 -11.009 9.015 1.766 1.00 0.47 H new ATOM 0 HA3 GLY A 57 -10.423 8.797 3.403 1.00 0.47 H new ATOM 1087 N LYS A 58 -8.568 10.541 3.286 1.00 0.49 N ATOM 1088 CA LYS A 58 -7.708 11.733 3.224 1.00 0.50 C ATOM 1089 C LYS A 58 -6.307 11.416 2.703 1.00 0.46 C ATOM 1090 O LYS A 58 -5.643 12.290 2.154 1.00 0.46 O ATOM 1091 CB LYS A 58 -7.639 12.442 4.586 1.00 0.54 C ATOM 1092 CG LYS A 58 -7.714 11.509 5.785 1.00 0.54 C ATOM 1093 CD LYS A 58 -6.413 10.755 5.982 1.00 0.51 C ATOM 1094 CE LYS A 58 -6.658 9.345 6.483 1.00 0.49 C ATOM 1095 NZ LYS A 58 -6.940 9.312 7.944 1.00 0.55 N ATOM 0 H LYS A 58 -8.620 10.102 4.205 1.00 0.49 H new ATOM 0 HA LYS A 58 -8.169 12.412 2.507 1.00 0.50 H new ATOM 0 HB2 LYS A 58 -6.710 13.009 4.640 1.00 0.54 H new ATOM 0 HB3 LYS A 58 -8.456 13.161 4.649 1.00 0.54 H new ATOM 0 HG2 LYS A 58 -7.942 12.085 6.682 1.00 0.54 H new ATOM 0 HG3 LYS A 58 -8.530 10.800 5.645 1.00 0.54 H new ATOM 0 HD2 LYS A 58 -5.867 10.718 5.040 1.00 0.51 H new ATOM 0 HD3 LYS A 58 -5.785 11.291 6.693 1.00 0.51 H new ATOM 0 HE2 LYS A 58 -7.498 8.909 5.942 1.00 0.49 H new ATOM 0 HE3 LYS A 58 -5.786 8.728 6.268 1.00 0.49 H new ATOM 0 HZ1 LYS A 58 -7.101 8.329 8.244 1.00 0.55 H new ATOM 0 HZ2 LYS A 58 -6.128 9.704 8.463 1.00 0.55 H new ATOM 0 HZ3 LYS A 58 -7.787 9.880 8.147 1.00 0.55 H new ATOM 1109 N HIS A 59 -5.863 10.171 2.875 1.00 0.42 N ATOM 1110 CA HIS A 59 -4.564 9.735 2.374 1.00 0.39 C ATOM 1111 C HIS A 59 -4.575 9.683 0.852 1.00 0.36 C ATOM 1112 O HIS A 59 -3.527 9.746 0.207 1.00 0.34 O ATOM 1113 CB HIS A 59 -4.215 8.355 2.933 1.00 0.36 C ATOM 1114 CG HIS A 59 -3.630 8.391 4.310 1.00 0.38 C ATOM 1115 ND1 HIS A 59 -2.518 9.138 4.639 1.00 0.38 N ATOM 1116 CD2 HIS A 59 -4.007 7.760 5.446 1.00 0.39 C ATOM 1117 CE1 HIS A 59 -2.237 8.964 5.919 1.00 0.40 C ATOM 1118 NE2 HIS A 59 -3.126 8.134 6.429 1.00 0.41 N ATOM 0 H HIS A 59 -6.389 9.444 3.361 1.00 0.42 H new ATOM 0 HA HIS A 59 -3.811 10.452 2.701 1.00 0.39 H new ATOM 0 HB2 HIS A 59 -5.115 7.741 2.947 1.00 0.36 H new ATOM 0 HB3 HIS A 59 -3.508 7.869 2.261 1.00 0.36 H new ATOM 0 HD2 HIS A 59 -4.845 7.088 5.558 1.00 0.39 H new ATOM 0 HE1 HIS A 59 -1.420 9.423 6.455 1.00 0.40 H new ATOM 0 HE2 HIS A 59 -3.154 7.820 7.399 1.00 0.41 H new ATOM 1126 N ALA A 60 -5.773 9.570 0.288 1.00 0.37 N ATOM 1127 CA ALA A 60 -5.946 9.501 -1.156 1.00 0.36 C ATOM 1128 C ALA A 60 -5.342 10.712 -1.857 1.00 0.37 C ATOM 1129 O ALA A 60 -5.704 11.853 -1.571 1.00 0.41 O ATOM 1130 CB ALA A 60 -7.421 9.377 -1.496 1.00 0.38 C ATOM 0 H ALA A 60 -6.645 9.524 0.816 1.00 0.37 H new ATOM 0 HA ALA A 60 -5.416 8.618 -1.514 1.00 0.36 H new ATOM 0 HB1 ALA A 60 -7.542 9.326 -2.578 1.00 0.38 H new ATOM 0 HB2 ALA A 60 -7.824 8.471 -1.043 1.00 0.38 H new ATOM 0 HB3 ALA A 60 -7.957 10.245 -1.112 1.00 0.38 H new ATOM 1136 N GLY A 61 -4.419 10.451 -2.780 1.00 0.35 N ATOM 1137 CA GLY A 61 -3.777 11.525 -3.522 1.00 0.37 C ATOM 1138 C GLY A 61 -3.076 12.534 -2.627 1.00 0.39 C ATOM 1139 O GLY A 61 -2.614 13.572 -3.101 1.00 0.41 O ATOM 0 H GLY A 61 -4.103 9.513 -3.028 1.00 0.35 H new ATOM 0 HA2 GLY A 61 -3.052 11.097 -4.214 1.00 0.37 H new ATOM 0 HA3 GLY A 61 -4.526 12.041 -4.123 1.00 0.37 H new ATOM 1143 N SER A 62 -2.996 12.232 -1.335 1.00 0.39 N ATOM 1144 CA SER A 62 -2.350 13.129 -0.382 1.00 0.41 C ATOM 1145 C SER A 62 -0.842 12.908 -0.351 1.00 0.39 C ATOM 1146 O SER A 62 -0.089 13.766 0.114 1.00 0.41 O ATOM 1147 CB SER A 62 -2.934 12.926 1.017 1.00 0.42 C ATOM 1148 OG SER A 62 -2.124 13.545 2.002 1.00 0.44 O ATOM 0 H SER A 62 -3.369 11.376 -0.924 1.00 0.39 H new ATOM 0 HA SER A 62 -2.539 14.153 -0.706 1.00 0.41 H new ATOM 0 HB2 SER A 62 -3.942 13.340 1.058 1.00 0.42 H new ATOM 0 HB3 SER A 62 -3.018 11.860 1.228 1.00 0.42 H new ATOM 0 HG SER A 62 -2.519 13.402 2.887 1.00 0.44 H new ATOM 1154 N ILE A 63 -0.400 11.757 -0.848 1.00 0.35 N ATOM 1155 CA ILE A 63 1.020 11.432 -0.867 1.00 0.33 C ATOM 1156 C ILE A 63 1.755 12.196 -1.962 1.00 0.35 C ATOM 1157 O ILE A 63 1.142 12.856 -2.800 1.00 0.37 O ATOM 1158 CB ILE A 63 1.258 9.922 -1.059 1.00 0.29 C ATOM 1159 CG1 ILE A 63 0.384 9.382 -2.188 1.00 0.28 C ATOM 1160 CG2 ILE A 63 0.983 9.176 0.237 1.00 0.28 C ATOM 1161 CD1 ILE A 63 1.177 8.859 -3.365 1.00 0.26 C ATOM 0 H ILE A 63 -1.004 11.036 -1.242 1.00 0.35 H new ATOM 0 HA ILE A 63 1.415 11.731 0.104 1.00 0.33 H new ATOM 0 HB ILE A 63 2.302 9.766 -1.332 1.00 0.29 H new ATOM 0 HG12 ILE A 63 -0.245 8.581 -1.799 1.00 0.28 H new ATOM 0 HG13 ILE A 63 -0.283 10.173 -2.531 1.00 0.28 H new ATOM 0 HG21 ILE A 63 1.155 8.110 0.087 1.00 0.28 H new ATOM 0 HG22 ILE A 63 1.649 9.545 1.017 1.00 0.28 H new ATOM 0 HG23 ILE A 63 -0.052 9.338 0.537 1.00 0.28 H new ATOM 0 HD11 ILE A 63 0.493 8.491 -4.130 1.00 0.26 H new ATOM 0 HD12 ILE A 63 1.786 9.662 -3.779 1.00 0.26 H new ATOM 0 HD13 ILE A 63 1.824 8.046 -3.035 1.00 0.26 H new ATOM 1173 N LYS A 64 3.077 12.094 -1.936 1.00 0.34 N ATOM 1174 CA LYS A 64 3.934 12.771 -2.898 1.00 0.36 C ATOM 1175 C LYS A 64 4.441 11.805 -3.964 1.00 0.34 C ATOM 1176 O LYS A 64 4.021 10.650 -4.029 1.00 0.31 O ATOM 1177 CB LYS A 64 5.115 13.428 -2.183 1.00 0.38 C ATOM 1178 CG LYS A 64 4.917 14.911 -1.916 1.00 0.41 C ATOM 1179 CD LYS A 64 6.204 15.567 -1.438 1.00 0.43 C ATOM 1180 CE LYS A 64 5.921 16.737 -0.510 1.00 0.46 C ATOM 1181 NZ LYS A 64 7.149 17.195 0.198 1.00 0.47 N ATOM 0 H LYS A 64 3.585 11.539 -1.247 1.00 0.34 H new ATOM 0 HA LYS A 64 3.341 13.540 -3.392 1.00 0.36 H new ATOM 0 HB2 LYS A 64 5.285 12.917 -1.236 1.00 0.38 H new ATOM 0 HB3 LYS A 64 6.014 13.293 -2.784 1.00 0.38 H new ATOM 0 HG2 LYS A 64 4.572 15.403 -2.826 1.00 0.41 H new ATOM 0 HG3 LYS A 64 4.138 15.046 -1.166 1.00 0.41 H new ATOM 0 HD2 LYS A 64 6.818 14.831 -0.920 1.00 0.43 H new ATOM 0 HD3 LYS A 64 6.778 15.913 -2.297 1.00 0.43 H new ATOM 0 HE2 LYS A 64 5.504 17.564 -1.085 1.00 0.46 H new ATOM 0 HE3 LYS A 64 5.167 16.446 0.222 1.00 0.46 H new ATOM 0 HZ1 LYS A 64 6.913 17.994 0.821 1.00 0.47 H new ATOM 0 HZ2 LYS A 64 7.533 16.414 0.767 1.00 0.47 H new ATOM 0 HZ3 LYS A 64 7.859 17.497 -0.499 1.00 0.47 H new ATOM 1195 N GLU A 65 5.346 12.304 -4.793 1.00 0.36 N ATOM 1196 CA GLU A 65 5.945 11.524 -5.869 1.00 0.36 C ATOM 1197 C GLU A 65 7.202 10.857 -5.339 1.00 0.35 C ATOM 1198 O GLU A 65 7.460 10.922 -4.143 1.00 0.34 O ATOM 1199 CB GLU A 65 6.279 12.415 -7.067 1.00 0.40 C ATOM 1200 CG GLU A 65 5.470 12.089 -8.312 1.00 0.40 C ATOM 1201 CD GLU A 65 5.435 13.237 -9.301 1.00 0.44 C ATOM 1202 OE1 GLU A 65 6.506 13.596 -9.832 1.00 0.47 O ATOM 1203 OE2 GLU A 65 4.335 13.776 -9.544 1.00 0.45 O ATOM 0 H GLU A 65 5.687 13.264 -4.739 1.00 0.36 H new ATOM 0 HA GLU A 65 5.237 10.768 -6.208 1.00 0.36 H new ATOM 0 HB2 GLU A 65 6.107 13.456 -6.794 1.00 0.40 H new ATOM 0 HB3 GLU A 65 7.340 12.317 -7.297 1.00 0.40 H new ATOM 0 HG2 GLU A 65 5.894 11.210 -8.797 1.00 0.40 H new ATOM 0 HG3 GLU A 65 4.451 11.833 -8.022 1.00 0.40 H new ATOM 1210 N GLY A 66 7.963 10.205 -6.214 1.00 0.36 N ATOM 1211 CA GLY A 66 9.151 9.481 -5.781 1.00 0.35 C ATOM 1212 C GLY A 66 9.961 10.205 -4.719 1.00 0.36 C ATOM 1213 O GLY A 66 10.928 10.910 -5.015 1.00 0.39 O ATOM 0 H GLY A 66 7.780 10.164 -7.217 1.00 0.36 H new ATOM 0 HA2 GLY A 66 8.850 8.508 -5.393 1.00 0.35 H new ATOM 0 HA3 GLY A 66 9.788 9.297 -6.646 1.00 0.35 H new ATOM 1217 N GLN A 67 9.534 10.010 -3.471 1.00 0.34 N ATOM 1218 CA GLN A 67 10.178 10.592 -2.301 1.00 0.35 C ATOM 1219 C GLN A 67 10.259 9.533 -1.203 1.00 0.32 C ATOM 1220 O GLN A 67 9.529 8.544 -1.241 1.00 0.30 O ATOM 1221 CB GLN A 67 9.387 11.811 -1.808 1.00 0.36 C ATOM 1222 CG GLN A 67 7.971 11.487 -1.361 1.00 0.34 C ATOM 1223 CD GLN A 67 7.818 11.488 0.144 1.00 0.33 C ATOM 1224 OE1 GLN A 67 7.412 12.485 0.741 1.00 0.35 O ATOM 1225 NE2 GLN A 67 8.142 10.364 0.764 1.00 0.31 N ATOM 0 H GLN A 67 8.721 9.436 -3.245 1.00 0.34 H new ATOM 0 HA GLN A 67 11.183 10.923 -2.564 1.00 0.35 H new ATOM 0 HB2 GLN A 67 9.924 12.268 -0.977 1.00 0.36 H new ATOM 0 HB3 GLN A 67 9.345 12.552 -2.607 1.00 0.36 H new ATOM 0 HG2 GLN A 67 7.283 12.214 -1.792 1.00 0.34 H new ATOM 0 HG3 GLN A 67 7.686 10.509 -1.750 1.00 0.34 H new ATOM 0 HE21 GLN A 67 8.474 9.563 0.227 1.00 0.31 H new ATOM 0 HE22 GLN A 67 8.059 10.299 1.779 1.00 0.31 H new ATOM 1234 N VAL A 68 11.138 9.734 -0.227 1.00 0.33 N ATOM 1235 CA VAL A 68 11.282 8.765 0.858 1.00 0.31 C ATOM 1236 C VAL A 68 10.167 8.906 1.887 1.00 0.30 C ATOM 1237 O VAL A 68 10.072 9.919 2.580 1.00 0.32 O ATOM 1238 CB VAL A 68 12.636 8.899 1.576 1.00 0.33 C ATOM 1239 CG1 VAL A 68 12.934 7.637 2.371 1.00 0.32 C ATOM 1240 CG2 VAL A 68 13.748 9.188 0.578 1.00 0.36 C ATOM 0 H VAL A 68 11.753 10.545 -0.163 1.00 0.33 H new ATOM 0 HA VAL A 68 11.224 7.782 0.391 1.00 0.31 H new ATOM 0 HB VAL A 68 12.582 9.739 2.269 1.00 0.33 H new ATOM 0 HG11 VAL A 68 13.895 7.743 2.875 1.00 0.32 H new ATOM 0 HG12 VAL A 68 12.150 7.481 3.112 1.00 0.32 H new ATOM 0 HG13 VAL A 68 12.971 6.782 1.696 1.00 0.32 H new ATOM 0 HG21 VAL A 68 14.697 9.279 1.107 1.00 0.36 H new ATOM 0 HG22 VAL A 68 13.811 8.373 -0.143 1.00 0.36 H new ATOM 0 HG23 VAL A 68 13.534 10.120 0.054 1.00 0.36 H new ATOM 1250 N VAL A 69 9.331 7.876 1.985 1.00 0.28 N ATOM 1251 CA VAL A 69 8.224 7.871 2.937 1.00 0.27 C ATOM 1252 C VAL A 69 8.372 6.725 3.924 1.00 0.27 C ATOM 1253 O VAL A 69 9.304 5.929 3.832 1.00 0.27 O ATOM 1254 CB VAL A 69 6.847 7.735 2.243 1.00 0.26 C ATOM 1255 CG1 VAL A 69 6.023 9.000 2.428 1.00 0.28 C ATOM 1256 CG2 VAL A 69 7.001 7.399 0.766 1.00 0.24 C ATOM 0 H VAL A 69 9.399 7.032 1.416 1.00 0.28 H new ATOM 0 HA VAL A 69 8.263 8.830 3.453 1.00 0.27 H new ATOM 0 HB VAL A 69 6.316 6.909 2.716 1.00 0.26 H new ATOM 0 HG11 VAL A 69 5.059 8.882 1.932 1.00 0.28 H new ATOM 0 HG12 VAL A 69 5.865 9.179 3.492 1.00 0.28 H new ATOM 0 HG13 VAL A 69 6.554 9.847 1.993 1.00 0.28 H new ATOM 0 HG21 VAL A 69 6.016 7.310 0.308 1.00 0.24 H new ATOM 0 HG22 VAL A 69 7.562 8.191 0.269 1.00 0.24 H new ATOM 0 HG23 VAL A 69 7.536 6.455 0.661 1.00 0.24 H new ATOM 1266 N LYS A 70 7.446 6.650 4.869 1.00 0.27 N ATOM 1267 CA LYS A 70 7.465 5.596 5.871 1.00 0.28 C ATOM 1268 C LYS A 70 6.053 5.108 6.154 1.00 0.28 C ATOM 1269 O LYS A 70 5.257 5.807 6.784 1.00 0.30 O ATOM 1270 CB LYS A 70 8.114 6.103 7.160 1.00 0.31 C ATOM 1271 CG LYS A 70 8.496 4.994 8.125 1.00 0.32 C ATOM 1272 CD LYS A 70 8.001 5.287 9.533 1.00 0.35 C ATOM 1273 CE LYS A 70 8.605 4.325 10.543 1.00 0.37 C ATOM 1274 NZ LYS A 70 8.086 4.566 11.919 1.00 0.40 N ATOM 0 H LYS A 70 6.672 7.307 4.962 1.00 0.27 H new ATOM 0 HA LYS A 70 8.052 4.762 5.486 1.00 0.28 H new ATOM 0 HB2 LYS A 70 9.006 6.676 6.907 1.00 0.31 H new ATOM 0 HB3 LYS A 70 7.427 6.786 7.659 1.00 0.31 H new ATOM 0 HG2 LYS A 70 8.077 4.049 7.780 1.00 0.32 H new ATOM 0 HG3 LYS A 70 9.580 4.877 8.136 1.00 0.32 H new ATOM 0 HD2 LYS A 70 8.257 6.311 9.805 1.00 0.35 H new ATOM 0 HD3 LYS A 70 6.914 5.212 9.561 1.00 0.35 H new ATOM 0 HE2 LYS A 70 8.383 3.300 10.246 1.00 0.37 H new ATOM 0 HE3 LYS A 70 9.690 4.430 10.541 1.00 0.37 H new ATOM 0 HZ1 LYS A 70 8.522 3.890 12.578 1.00 0.40 H new ATOM 0 HZ2 LYS A 70 8.320 5.536 12.213 1.00 0.40 H new ATOM 0 HZ3 LYS A 70 7.054 4.441 11.927 1.00 0.40 H new ATOM 1288 N ILE A 71 5.748 3.904 5.687 1.00 0.26 N ATOM 1289 CA ILE A 71 4.433 3.320 5.899 1.00 0.26 C ATOM 1290 C ILE A 71 4.310 2.796 7.319 1.00 0.29 C ATOM 1291 O ILE A 71 5.266 2.261 7.880 1.00 0.30 O ATOM 1292 CB ILE A 71 4.150 2.178 4.909 1.00 0.23 C ATOM 1293 CG1 ILE A 71 4.315 2.679 3.469 1.00 0.21 C ATOM 1294 CG2 ILE A 71 2.754 1.609 5.136 1.00 0.24 C ATOM 1295 CD1 ILE A 71 3.145 3.496 2.961 1.00 0.20 C ATOM 0 H ILE A 71 6.393 3.315 5.160 1.00 0.26 H new ATOM 0 HA ILE A 71 3.699 4.108 5.732 1.00 0.26 H new ATOM 0 HB ILE A 71 4.869 1.376 5.077 1.00 0.23 H new ATOM 0 HG12 ILE A 71 5.220 3.283 3.407 1.00 0.21 H new ATOM 0 HG13 ILE A 71 4.458 1.822 2.811 1.00 0.21 H new ATOM 0 HG21 ILE A 71 2.570 0.802 4.427 1.00 0.24 H new ATOM 0 HG22 ILE A 71 2.679 1.223 6.153 1.00 0.24 H new ATOM 0 HG23 ILE A 71 2.013 2.395 4.991 1.00 0.24 H new ATOM 0 HD11 ILE A 71 3.340 3.812 1.936 1.00 0.20 H new ATOM 0 HD12 ILE A 71 2.239 2.890 2.988 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.013 4.374 3.593 1.00 0.20 H new ATOM 1307 N GLU A 72 3.129 2.953 7.894 1.00 0.31 N ATOM 1308 CA GLU A 72 2.879 2.511 9.244 1.00 0.34 C ATOM 1309 C GLU A 72 1.850 1.399 9.261 1.00 0.35 C ATOM 1310 O GLU A 72 1.374 0.943 8.223 1.00 0.33 O ATOM 1311 CB GLU A 72 2.401 3.680 10.105 1.00 0.38 C ATOM 1312 CG GLU A 72 3.007 3.695 11.500 1.00 0.41 C ATOM 1313 CD GLU A 72 1.989 3.391 12.579 1.00 0.44 C ATOM 1314 OE1 GLU A 72 1.012 4.160 12.709 1.00 0.46 O ATOM 1315 OE2 GLU A 72 2.165 2.384 13.298 1.00 0.46 O ATOM 0 H GLU A 72 2.327 3.387 7.438 1.00 0.31 H new ATOM 0 HA GLU A 72 3.812 2.127 9.656 1.00 0.34 H new ATOM 0 HB2 GLU A 72 2.645 4.615 9.601 1.00 0.38 H new ATOM 0 HB3 GLU A 72 1.315 3.638 10.190 1.00 0.38 H new ATOM 0 HG2 GLU A 72 3.814 2.964 11.550 1.00 0.41 H new ATOM 0 HG3 GLU A 72 3.451 4.672 11.689 1.00 0.41 H new ATOM 1322 N ASN A 73 1.527 0.980 10.462 1.00 0.39 N ATOM 1323 CA ASN A 73 0.562 -0.077 10.700 1.00 0.40 C ATOM 1324 C ASN A 73 -0.741 0.154 9.945 1.00 0.39 C ATOM 1325 O ASN A 73 -1.558 0.987 10.342 1.00 0.41 O ATOM 1326 CB ASN A 73 0.267 -0.098 12.189 1.00 0.45 C ATOM 1327 CG ASN A 73 0.143 -1.499 12.750 1.00 0.47 C ATOM 1328 OD1 ASN A 73 1.128 -2.230 12.854 1.00 0.46 O ATOM 1329 ND2 ASN A 73 -1.075 -1.880 13.118 1.00 0.49 N ATOM 0 H ASN A 73 1.930 1.367 11.315 1.00 0.39 H new ATOM 0 HA ASN A 73 0.981 -1.021 10.350 1.00 0.40 H new ATOM 0 HB2 ASN A 73 1.060 0.430 12.718 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -0.659 0.446 12.378 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -1.223 -2.812 13.505 1.00 0.49 H new ATOM 0 HD22 ASN A 73 -1.863 -1.240 13.014 1.00 0.49 H new ATOM 1336 N ALA A 74 -0.876 -0.587 8.856 1.00 0.36 N ATOM 1337 CA ALA A 74 -2.071 -0.542 8.060 1.00 0.35 C ATOM 1338 C ALA A 74 -2.646 -1.937 7.942 1.00 0.36 C ATOM 1339 O ALA A 74 -3.236 -2.447 8.896 1.00 0.40 O ATOM 1340 CB ALA A 74 -1.756 0.024 6.690 1.00 0.31 C ATOM 0 H ALA A 74 -0.162 -1.228 8.510 1.00 0.36 H new ATOM 0 HA ALA A 74 -2.807 0.105 8.537 1.00 0.35 H new ATOM 0 HB1 ALA A 74 -2.666 0.055 6.091 1.00 0.31 H new ATOM 0 HB2 ALA A 74 -1.356 1.033 6.796 1.00 0.31 H new ATOM 0 HB3 ALA A 74 -1.018 -0.608 6.196 1.00 0.31 H new ATOM 1346 N TRP A 75 -2.403 -2.574 6.803 1.00 0.33 N ATOM 1347 CA TRP A 75 -2.889 -3.921 6.553 1.00 0.34 C ATOM 1348 C TRP A 75 -2.559 -4.360 5.153 1.00 0.31 C ATOM 1349 O TRP A 75 -2.059 -3.588 4.335 1.00 0.28 O ATOM 1350 CB TRP A 75 -4.399 -4.024 6.768 1.00 0.37 C ATOM 1351 CG TRP A 75 -5.201 -2.978 6.050 1.00 0.36 C ATOM 1352 CD1 TRP A 75 -5.626 -3.001 4.754 1.00 0.34 C ATOM 1353 CD2 TRP A 75 -5.694 -1.752 6.604 1.00 0.38 C ATOM 1354 NE1 TRP A 75 -6.346 -1.876 4.485 1.00 0.34 N ATOM 1355 CE2 TRP A 75 -6.399 -1.101 5.604 1.00 0.37 C ATOM 1356 CE3 TRP A 75 -5.602 -1.149 7.844 1.00 0.41 C ATOM 1357 CZ2 TRP A 75 -7.004 0.116 5.799 1.00 0.39 C ATOM 1358 CZ3 TRP A 75 -6.207 0.069 8.044 1.00 0.44 C ATOM 1359 CH2 TRP A 75 -6.904 0.693 7.012 1.00 0.42 C ATOM 0 H TRP A 75 -1.867 -2.173 6.033 1.00 0.33 H new ATOM 0 HA TRP A 75 -2.388 -4.576 7.266 1.00 0.34 H new ATOM 0 HB2 TRP A 75 -4.734 -5.009 6.441 1.00 0.37 H new ATOM 0 HB3 TRP A 75 -4.607 -3.954 7.836 1.00 0.37 H new ATOM 0 HD1 TRP A 75 -5.422 -3.792 4.047 1.00 0.34 H new ATOM 0 HE1 TRP A 75 -6.777 -1.650 3.588 1.00 0.34 H new ATOM 0 HE3 TRP A 75 -5.061 -1.629 8.646 1.00 0.41 H new ATOM 0 HZ2 TRP A 75 -7.547 0.599 5.000 1.00 0.39 H new ATOM 0 HZ3 TRP A 75 -6.141 0.547 9.010 1.00 0.44 H new ATOM 0 HH2 TRP A 75 -7.370 1.651 7.187 1.00 0.42 H new ATOM 1370 N THR A 76 -2.853 -5.613 4.897 1.00 0.32 N ATOM 1371 CA THR A 76 -2.609 -6.203 3.609 1.00 0.30 C ATOM 1372 C THR A 76 -3.782 -7.062 3.210 1.00 0.33 C ATOM 1373 O THR A 76 -4.298 -7.844 4.007 1.00 0.36 O ATOM 1374 CB THR A 76 -1.342 -7.063 3.605 1.00 0.31 C ATOM 1375 OG1 THR A 76 -1.276 -7.836 4.807 1.00 0.36 O ATOM 1376 CG2 THR A 76 -0.099 -6.205 3.478 1.00 0.29 C ATOM 0 H THR A 76 -3.268 -6.249 5.578 1.00 0.32 H new ATOM 0 HA THR A 76 -2.473 -5.388 2.898 1.00 0.30 H new ATOM 0 HB THR A 76 -1.386 -7.730 2.744 1.00 0.31 H new ATOM 0 HG1 THR A 76 -0.466 -8.388 4.797 1.00 0.36 H new ATOM 0 HG21 THR A 76 0.785 -6.843 3.478 1.00 0.29 H new ATOM 0 HG22 THR A 76 -0.140 -5.641 2.546 1.00 0.29 H new ATOM 0 HG23 THR A 76 -0.047 -5.513 4.319 1.00 0.29 H new ATOM 1384 N THR A 77 -4.208 -6.901 1.978 1.00 0.32 N ATOM 1385 CA THR A 77 -5.321 -7.663 1.462 1.00 0.36 C ATOM 1386 C THR A 77 -4.920 -8.256 0.116 1.00 0.32 C ATOM 1387 O THR A 77 -4.410 -7.549 -0.751 1.00 0.26 O ATOM 1388 CB THR A 77 -6.595 -6.788 1.335 1.00 0.38 C ATOM 1389 OG1 THR A 77 -6.596 -6.092 0.085 1.00 0.41 O ATOM 1390 CG2 THR A 77 -6.687 -5.773 2.485 1.00 0.37 C ATOM 0 H THR A 77 -3.798 -6.246 1.312 1.00 0.32 H new ATOM 0 HA THR A 77 -5.564 -8.467 2.157 1.00 0.36 H new ATOM 0 HB THR A 77 -7.459 -7.450 1.384 1.00 0.38 H new ATOM 0 HG1 THR A 77 -7.406 -5.545 0.016 1.00 0.41 H new ATOM 0 HG21 THR A 77 -7.590 -5.173 2.370 1.00 0.37 H new ATOM 0 HG22 THR A 77 -6.723 -6.303 3.437 1.00 0.37 H new ATOM 0 HG23 THR A 77 -5.814 -5.121 2.466 1.00 0.37 H new ATOM 1398 N ALA A 78 -5.131 -9.555 -0.057 1.00 0.38 N ATOM 1399 CA ALA A 78 -4.737 -10.224 -1.290 1.00 0.37 C ATOM 1400 C ALA A 78 -5.812 -10.149 -2.367 1.00 0.35 C ATOM 1401 O ALA A 78 -6.840 -10.822 -2.284 1.00 0.39 O ATOM 1402 CB ALA A 78 -4.373 -11.672 -1.006 1.00 0.43 C ATOM 0 H ALA A 78 -5.569 -10.162 0.635 1.00 0.38 H new ATOM 0 HA ALA A 78 -3.864 -9.697 -1.676 1.00 0.37 H new ATOM 0 HB1 ALA A 78 -4.080 -12.162 -1.934 1.00 0.43 H new ATOM 0 HB2 ALA A 78 -3.543 -11.707 -0.300 1.00 0.43 H new ATOM 0 HB3 ALA A 78 -5.234 -12.187 -0.580 1.00 0.43 H new ATOM 1408 N PHE A 79 -5.563 -9.321 -3.380 1.00 0.29 N ATOM 1409 CA PHE A 79 -6.472 -9.167 -4.482 1.00 0.26 C ATOM 1410 C PHE A 79 -6.040 -10.024 -5.660 1.00 0.27 C ATOM 1411 O PHE A 79 -4.926 -9.879 -6.160 1.00 0.27 O ATOM 1412 CB PHE A 79 -6.525 -7.710 -4.912 1.00 0.23 C ATOM 1413 CG PHE A 79 -7.838 -7.380 -5.518 1.00 0.22 C ATOM 1414 CD1 PHE A 79 -8.919 -7.145 -4.710 1.00 0.27 C ATOM 1415 CD2 PHE A 79 -8.002 -7.362 -6.879 1.00 0.25 C ATOM 1416 CE1 PHE A 79 -10.146 -6.893 -5.244 1.00 0.31 C ATOM 1417 CE2 PHE A 79 -9.229 -7.104 -7.424 1.00 0.29 C ATOM 1418 CZ PHE A 79 -10.309 -6.869 -6.606 1.00 0.31 C ATOM 0 H PHE A 79 -4.724 -8.745 -3.447 1.00 0.29 H new ATOM 0 HA PHE A 79 -7.461 -9.489 -4.156 1.00 0.26 H new ATOM 0 HB2 PHE A 79 -6.347 -7.067 -4.050 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -5.729 -7.510 -5.629 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -8.797 -7.160 -3.637 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -7.157 -7.553 -7.524 1.00 0.25 H new ATOM 0 HE1 PHE A 79 -10.991 -6.712 -4.596 1.00 0.31 H new ATOM 0 HE2 PHE A 79 -9.350 -7.085 -8.497 1.00 0.29 H new ATOM 0 HZ PHE A 79 -11.280 -6.667 -7.033 1.00 0.31 H new ATOM 1428 N LYS A 80 -6.934 -10.914 -6.091 1.00 0.30 N ATOM 1429 CA LYS A 80 -6.679 -11.807 -7.225 1.00 0.32 C ATOM 1430 C LYS A 80 -5.470 -12.722 -6.984 1.00 0.34 C ATOM 1431 O LYS A 80 -4.893 -13.258 -7.932 1.00 0.36 O ATOM 1432 CB LYS A 80 -6.484 -10.996 -8.513 1.00 0.31 C ATOM 1433 CG LYS A 80 -7.613 -10.015 -8.792 1.00 0.30 C ATOM 1434 CD LYS A 80 -8.878 -10.706 -9.277 1.00 0.33 C ATOM 1435 CE LYS A 80 -9.976 -9.691 -9.554 1.00 0.33 C ATOM 1436 NZ LYS A 80 -11.236 -10.334 -10.020 1.00 0.43 N ATOM 0 H LYS A 80 -7.853 -11.037 -5.666 1.00 0.30 H new ATOM 0 HA LYS A 80 -7.554 -12.447 -7.333 1.00 0.32 H new ATOM 0 HB2 LYS A 80 -5.545 -10.447 -8.448 1.00 0.31 H new ATOM 0 HB3 LYS A 80 -6.394 -11.683 -9.355 1.00 0.31 H new ATOM 0 HG2 LYS A 80 -7.835 -9.453 -7.884 1.00 0.30 H new ATOM 0 HG3 LYS A 80 -7.287 -9.294 -9.541 1.00 0.30 H new ATOM 0 HD2 LYS A 80 -8.664 -11.273 -10.183 1.00 0.33 H new ATOM 0 HD3 LYS A 80 -9.218 -11.420 -8.527 1.00 0.33 H new ATOM 0 HE2 LYS A 80 -10.176 -9.119 -8.648 1.00 0.33 H new ATOM 0 HE3 LYS A 80 -9.632 -8.983 -10.308 1.00 0.33 H new ATOM 0 HZ1 LYS A 80 -11.954 -9.603 -10.196 1.00 0.43 H new ATOM 0 HZ2 LYS A 80 -11.053 -10.859 -10.899 1.00 0.43 H new ATOM 0 HZ3 LYS A 80 -11.581 -10.990 -9.291 1.00 0.43 H new ATOM 1450 N GLY A 81 -5.092 -12.904 -5.716 1.00 0.35 N ATOM 1451 CA GLY A 81 -3.976 -13.774 -5.392 1.00 0.38 C ATOM 1452 C GLY A 81 -2.687 -13.025 -5.103 1.00 0.37 C ATOM 1453 O GLY A 81 -1.735 -13.610 -4.585 1.00 0.39 O ATOM 0 H GLY A 81 -5.540 -12.464 -4.912 1.00 0.35 H new ATOM 0 HA2 GLY A 81 -4.238 -14.379 -4.524 1.00 0.38 H new ATOM 0 HA3 GLY A 81 -3.809 -14.462 -6.221 1.00 0.38 H new ATOM 1457 N GLN A 82 -2.646 -11.736 -5.431 1.00 0.34 N ATOM 1458 CA GLN A 82 -1.458 -10.930 -5.166 1.00 0.33 C ATOM 1459 C GLN A 82 -1.682 -10.083 -3.927 1.00 0.30 C ATOM 1460 O GLN A 82 -2.760 -9.524 -3.739 1.00 0.29 O ATOM 1461 CB GLN A 82 -1.104 -10.009 -6.340 1.00 0.32 C ATOM 1462 CG GLN A 82 -2.077 -10.048 -7.508 1.00 0.31 C ATOM 1463 CD GLN A 82 -2.564 -8.663 -7.901 1.00 0.27 C ATOM 1464 OE1 GLN A 82 -2.801 -8.388 -9.076 1.00 0.28 O ATOM 1465 NE2 GLN A 82 -2.728 -7.785 -6.914 1.00 0.24 N ATOM 0 H GLN A 82 -3.413 -11.232 -5.876 1.00 0.34 H new ATOM 0 HA GLN A 82 -0.627 -11.620 -5.018 1.00 0.33 H new ATOM 0 HB2 GLN A 82 -1.043 -8.985 -5.972 1.00 0.32 H new ATOM 0 HB3 GLN A 82 -0.112 -10.276 -6.705 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -1.594 -10.517 -8.365 1.00 0.31 H new ATOM 0 HG3 GLN A 82 -2.932 -10.670 -7.245 1.00 0.31 H new ATOM 0 HE21 GLN A 82 -2.520 -8.054 -5.952 1.00 0.24 H new ATOM 0 HE22 GLN A 82 -3.062 -6.843 -7.119 1.00 0.24 H new ATOM 1474 N VAL A 83 -0.664 -9.981 -3.082 1.00 0.31 N ATOM 1475 CA VAL A 83 -0.778 -9.191 -1.862 1.00 0.30 C ATOM 1476 C VAL A 83 -0.806 -7.699 -2.189 1.00 0.26 C ATOM 1477 O VAL A 83 -0.254 -7.268 -3.202 1.00 0.25 O ATOM 1478 CB VAL A 83 0.382 -9.465 -0.879 1.00 0.33 C ATOM 1479 CG1 VAL A 83 0.038 -8.956 0.509 1.00 0.32 C ATOM 1480 CG2 VAL A 83 0.729 -10.946 -0.848 1.00 0.38 C ATOM 0 H VAL A 83 0.242 -10.430 -3.216 1.00 0.31 H new ATOM 0 HA VAL A 83 -1.712 -9.488 -1.384 1.00 0.30 H new ATOM 0 HB VAL A 83 1.261 -8.924 -1.229 1.00 0.33 H new ATOM 0 HG11 VAL A 83 0.867 -9.158 1.187 1.00 0.32 H new ATOM 0 HG12 VAL A 83 -0.143 -7.882 0.468 1.00 0.32 H new ATOM 0 HG13 VAL A 83 -0.857 -9.462 0.870 1.00 0.32 H new ATOM 0 HG21 VAL A 83 1.548 -11.113 -0.149 1.00 0.38 H new ATOM 0 HG22 VAL A 83 -0.143 -11.517 -0.529 1.00 0.38 H new ATOM 0 HG23 VAL A 83 1.030 -11.270 -1.844 1.00 0.38 H new ATOM 1490 N GLN A 84 -1.441 -6.913 -1.325 1.00 0.24 N ATOM 1491 CA GLN A 84 -1.535 -5.478 -1.538 1.00 0.21 C ATOM 1492 C GLN A 84 -1.443 -4.746 -0.208 1.00 0.21 C ATOM 1493 O GLN A 84 -1.624 -5.344 0.847 1.00 0.25 O ATOM 1494 CB GLN A 84 -2.839 -5.124 -2.259 1.00 0.20 C ATOM 1495 CG GLN A 84 -2.672 -4.028 -3.299 1.00 0.26 C ATOM 1496 CD GLN A 84 -3.913 -3.828 -4.144 1.00 0.30 C ATOM 1497 OE1 GLN A 84 -4.107 -4.510 -5.151 1.00 0.33 O ATOM 1498 NE2 GLN A 84 -4.754 -2.881 -3.749 1.00 0.37 N ATOM 0 H GLN A 84 -1.896 -7.246 -0.475 1.00 0.24 H new ATOM 0 HA GLN A 84 -0.703 -5.163 -2.168 1.00 0.21 H new ATOM 0 HB2 GLN A 84 -3.233 -6.018 -2.743 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.579 -4.808 -1.523 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.424 -3.092 -2.798 1.00 0.26 H new ATOM 0 HG3 GLN A 84 -1.832 -4.274 -3.948 1.00 0.26 H new ATOM 0 HE21 GLN A 84 -4.554 -2.340 -2.908 1.00 0.37 H new ATOM 0 HE22 GLN A 84 -5.601 -2.694 -4.286 1.00 0.37 H new ATOM 1507 N LEU A 85 -1.162 -3.454 -0.265 1.00 0.19 N ATOM 1508 CA LEU A 85 -1.026 -2.645 0.939 1.00 0.20 C ATOM 1509 C LEU A 85 -1.935 -1.427 0.874 1.00 0.19 C ATOM 1510 O LEU A 85 -2.218 -0.921 -0.208 1.00 0.17 O ATOM 1511 CB LEU A 85 0.426 -2.205 1.082 1.00 0.19 C ATOM 1512 CG LEU A 85 1.009 -2.278 2.492 1.00 0.22 C ATOM 1513 CD1 LEU A 85 2.222 -3.195 2.518 1.00 0.25 C ATOM 1514 CD2 LEU A 85 1.382 -0.887 2.976 1.00 0.22 C ATOM 0 H LEU A 85 -1.023 -2.940 -1.135 1.00 0.19 H new ATOM 0 HA LEU A 85 -1.318 -3.241 1.804 1.00 0.20 H new ATOM 0 HB2 LEU A 85 1.039 -2.821 0.424 1.00 0.19 H new ATOM 0 HB3 LEU A 85 0.511 -1.178 0.727 1.00 0.19 H new ATOM 0 HG LEU A 85 0.254 -2.689 3.162 1.00 0.22 H new ATOM 0 HD11 LEU A 85 2.625 -3.236 3.530 1.00 0.25 H new ATOM 0 HD12 LEU A 85 1.928 -4.196 2.204 1.00 0.25 H new ATOM 0 HD13 LEU A 85 2.983 -2.811 1.839 1.00 0.25 H new ATOM 0 HD21 LEU A 85 1.797 -0.951 3.982 1.00 0.22 H new ATOM 0 HD22 LEU A 85 2.124 -0.455 2.305 1.00 0.22 H new ATOM 0 HD23 LEU A 85 0.493 -0.256 2.989 1.00 0.22 H new ATOM 1526 N ASN A 86 -2.400 -0.966 2.032 1.00 0.21 N ATOM 1527 CA ASN A 86 -3.289 0.197 2.088 1.00 0.22 C ATOM 1528 C ASN A 86 -2.875 1.124 3.191 1.00 0.24 C ATOM 1529 O ASN A 86 -1.955 0.825 3.941 1.00 0.25 O ATOM 1530 CB ASN A 86 -4.731 -0.232 2.356 1.00 0.25 C ATOM 1531 CG ASN A 86 -5.195 -1.285 1.402 1.00 0.25 C ATOM 1532 OD1 ASN A 86 -5.951 -1.007 0.480 1.00 0.29 O ATOM 1533 ND2 ASN A 86 -4.727 -2.499 1.625 1.00 0.26 N ATOM 0 H ASN A 86 -2.179 -1.375 2.940 1.00 0.21 H new ATOM 0 HA ASN A 86 -3.222 0.701 1.124 1.00 0.22 H new ATOM 0 HB2 ASN A 86 -4.813 -0.607 3.376 1.00 0.25 H new ATOM 0 HB3 ASN A 86 -5.386 0.636 2.282 1.00 0.25 H new ATOM 0 HD21 ASN A 86 -4.993 -3.269 1.011 1.00 0.26 H new ATOM 0 HD22 ASN A 86 -4.099 -2.667 2.411 1.00 0.26 H new ATOM 1540 N ALA A 87 -3.514 2.280 3.252 1.00 0.26 N ATOM 1541 CA ALA A 87 -3.246 3.192 4.332 1.00 0.28 C ATOM 1542 C ALA A 87 -4.523 3.874 4.797 1.00 0.32 C ATOM 1543 O ALA A 87 -5.175 4.587 4.037 1.00 0.33 O ATOM 1544 CB ALA A 87 -2.215 4.222 3.921 1.00 0.27 C ATOM 0 H ALA A 87 -4.208 2.598 2.576 1.00 0.26 H new ATOM 0 HA ALA A 87 -2.844 2.616 5.166 1.00 0.28 H new ATOM 0 HB1 ALA A 87 -2.028 4.901 4.753 1.00 0.27 H new ATOM 0 HB2 ALA A 87 -1.287 3.719 3.647 1.00 0.27 H new ATOM 0 HB3 ALA A 87 -2.587 4.788 3.067 1.00 0.27 H new ATOM 1550 N GLY A 88 -4.861 3.651 6.058 1.00 0.36 N ATOM 1551 CA GLY A 88 -6.040 4.253 6.632 1.00 0.40 C ATOM 1552 C GLY A 88 -5.773 5.080 7.873 1.00 0.44 C ATOM 1553 O GLY A 88 -4.926 5.973 7.870 1.00 0.43 O ATOM 0 H GLY A 88 -4.332 3.057 6.697 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -6.513 4.886 5.882 1.00 0.40 H new ATOM 0 HA3 GLY A 88 -6.752 3.466 6.880 1.00 0.40 H new ATOM 1557 N SER A 89 -6.504 4.769 8.946 1.00 0.48 N ATOM 1558 CA SER A 89 -6.400 5.523 10.191 1.00 0.52 C ATOM 1559 C SER A 89 -5.197 5.158 11.079 1.00 0.52 C ATOM 1560 O SER A 89 -4.413 6.047 11.420 1.00 0.52 O ATOM 1561 CB SER A 89 -7.687 5.388 11.006 1.00 0.56 C ATOM 1562 OG SER A 89 -8.793 5.944 10.318 1.00 0.56 O ATOM 0 H SER A 89 -7.173 4.000 8.975 1.00 0.48 H new ATOM 0 HA SER A 89 -6.239 6.554 9.877 1.00 0.52 H new ATOM 0 HB2 SER A 89 -7.878 4.336 11.216 1.00 0.56 H new ATOM 0 HB3 SER A 89 -7.565 5.888 11.967 1.00 0.56 H new ATOM 0 HG SER A 89 -9.602 5.842 10.862 1.00 0.56 H new ATOM 1568 N LYS A 90 -5.045 3.874 11.486 1.00 0.51 N ATOM 1569 CA LYS A 90 -3.908 3.498 12.358 1.00 0.51 C ATOM 1570 C LYS A 90 -2.593 3.605 11.603 1.00 0.47 C ATOM 1571 O LYS A 90 -1.524 3.338 12.146 1.00 0.47 O ATOM 1572 CB LYS A 90 -4.036 2.085 12.985 1.00 0.53 C ATOM 1573 CG LYS A 90 -3.850 0.924 12.029 1.00 0.56 C ATOM 1574 CD LYS A 90 -5.163 0.225 11.739 1.00 0.71 C ATOM 1575 CE LYS A 90 -5.007 -1.282 11.835 1.00 0.94 C ATOM 1576 NZ LYS A 90 -6.160 -1.911 12.533 1.00 1.25 N ATOM 0 H LYS A 90 -5.670 3.108 11.236 1.00 0.51 H new ATOM 0 HA LYS A 90 -3.926 4.209 13.184 1.00 0.51 H new ATOM 0 HB2 LYS A 90 -3.301 1.994 13.785 1.00 0.53 H new ATOM 0 HB3 LYS A 90 -5.020 1.999 13.445 1.00 0.53 H new ATOM 0 HG2 LYS A 90 -3.416 1.285 11.097 1.00 0.56 H new ATOM 0 HG3 LYS A 90 -3.144 0.211 12.454 1.00 0.56 H new ATOM 0 HD2 LYS A 90 -5.922 0.562 12.445 1.00 0.71 H new ATOM 0 HD3 LYS A 90 -5.511 0.496 10.742 1.00 0.71 H new ATOM 0 HE2 LYS A 90 -4.914 -1.703 10.834 1.00 0.94 H new ATOM 0 HE3 LYS A 90 -4.086 -1.519 12.367 1.00 0.94 H new ATOM 0 HZ1 LYS A 90 -6.018 -2.940 12.580 1.00 1.25 H new ATOM 0 HZ2 LYS A 90 -6.233 -1.528 13.497 1.00 1.25 H new ATOM 0 HZ3 LYS A 90 -7.036 -1.705 12.011 1.00 1.25 H new ATOM 1590 N THR A 91 -2.692 3.998 10.348 1.00 0.45 N ATOM 1591 CA THR A 91 -1.544 4.169 9.495 1.00 0.40 C ATOM 1592 C THR A 91 -1.183 5.648 9.411 1.00 0.42 C ATOM 1593 O THR A 91 -2.035 6.482 9.095 1.00 0.45 O ATOM 1594 CB THR A 91 -1.852 3.676 8.073 1.00 0.36 C ATOM 1595 OG1 THR A 91 -2.711 2.534 8.127 1.00 0.36 O ATOM 1596 CG2 THR A 91 -0.577 3.336 7.321 1.00 0.32 C ATOM 0 H THR A 91 -3.581 4.208 9.893 1.00 0.45 H new ATOM 0 HA THR A 91 -0.719 3.594 9.916 1.00 0.40 H new ATOM 0 HB THR A 91 -2.355 4.480 7.536 1.00 0.36 H new ATOM 0 HG1 THR A 91 -2.517 2.017 8.937 1.00 0.36 H new ATOM 0 HG21 THR A 91 -0.827 2.990 6.318 1.00 0.32 H new ATOM 0 HG22 THR A 91 0.052 4.223 7.252 1.00 0.32 H new ATOM 0 HG23 THR A 91 -0.040 2.550 7.852 1.00 0.32 H new ATOM 1604 N LYS A 92 0.062 5.975 9.699 1.00 0.41 N ATOM 1605 CA LYS A 92 0.519 7.356 9.630 1.00 0.42 C ATOM 1606 C LYS A 92 1.656 7.466 8.628 1.00 0.39 C ATOM 1607 O LYS A 92 2.751 6.953 8.869 1.00 0.37 O ATOM 1608 CB LYS A 92 0.982 7.845 11.006 1.00 0.46 C ATOM 1609 CG LYS A 92 0.004 8.791 11.686 1.00 0.51 C ATOM 1610 CD LYS A 92 -1.243 8.065 12.169 1.00 0.55 C ATOM 1611 CE LYS A 92 -2.227 9.026 12.815 1.00 0.60 C ATOM 1612 NZ LYS A 92 -3.421 8.320 13.356 1.00 0.67 N ATOM 0 H LYS A 92 0.777 5.306 9.983 1.00 0.41 H new ATOM 0 HA LYS A 92 -0.312 7.984 9.307 1.00 0.42 H new ATOM 0 HB2 LYS A 92 1.145 6.982 11.651 1.00 0.46 H new ATOM 0 HB3 LYS A 92 1.943 8.348 10.897 1.00 0.46 H new ATOM 0 HG2 LYS A 92 0.494 9.274 12.532 1.00 0.51 H new ATOM 0 HG3 LYS A 92 -0.282 9.580 10.990 1.00 0.51 H new ATOM 0 HD2 LYS A 92 -1.721 7.562 11.329 1.00 0.55 H new ATOM 0 HD3 LYS A 92 -0.962 7.293 12.885 1.00 0.55 H new ATOM 0 HE2 LYS A 92 -1.730 9.567 13.620 1.00 0.60 H new ATOM 0 HE3 LYS A 92 -2.545 9.767 12.082 1.00 0.60 H new ATOM 0 HZ1 LYS A 92 -4.206 8.994 13.459 1.00 0.67 H new ATOM 0 HZ2 LYS A 92 -3.701 7.560 12.703 1.00 0.67 H new ATOM 0 HZ3 LYS A 92 -3.192 7.911 14.284 1.00 0.67 H new ATOM 1626 N ILE A 93 1.404 8.119 7.497 1.00 0.37 N ATOM 1627 CA ILE A 93 2.441 8.248 6.479 1.00 0.35 C ATOM 1628 C ILE A 93 3.190 9.566 6.623 1.00 0.37 C ATOM 1629 O ILE A 93 2.595 10.595 6.947 1.00 0.40 O ATOM 1630 CB ILE A 93 1.860 8.161 5.054 1.00 0.32 C ATOM 1631 CG1 ILE A 93 0.744 7.115 4.989 1.00 0.31 C ATOM 1632 CG2 ILE A 93 2.963 7.834 4.057 1.00 0.29 C ATOM 1633 CD1 ILE A 93 0.034 7.066 3.652 1.00 0.29 C ATOM 0 H ILE A 93 0.513 8.558 7.265 1.00 0.37 H new ATOM 0 HA ILE A 93 3.129 7.416 6.632 1.00 0.35 H new ATOM 0 HB ILE A 93 1.432 9.129 4.793 1.00 0.32 H new ATOM 0 HG12 ILE A 93 1.166 6.133 5.203 1.00 0.31 H new ATOM 0 HG13 ILE A 93 0.014 7.326 5.771 1.00 0.31 H new ATOM 0 HG21 ILE A 93 2.541 7.775 3.054 1.00 0.29 H new ATOM 0 HG22 ILE A 93 3.723 8.615 4.086 1.00 0.29 H new ATOM 0 HG23 ILE A 93 3.416 6.877 4.317 1.00 0.29 H new ATOM 0 HD11 ILE A 93 -0.743 6.302 3.681 1.00 0.29 H new ATOM 0 HD12 ILE A 93 -0.418 8.036 3.444 1.00 0.29 H new ATOM 0 HD13 ILE A 93 0.751 6.824 2.868 1.00 0.29 H new ATOM 1645 N ALA A 94 4.497 9.530 6.384 1.00 0.36 N ATOM 1646 CA ALA A 94 5.320 10.729 6.488 1.00 0.38 C ATOM 1647 C ALA A 94 6.674 10.532 5.816 1.00 0.36 C ATOM 1648 O ALA A 94 7.182 9.414 5.732 1.00 0.34 O ATOM 1649 CB ALA A 94 5.505 11.122 7.947 1.00 0.41 C ATOM 0 H ALA A 94 5.007 8.688 6.118 1.00 0.36 H new ATOM 0 HA ALA A 94 4.802 11.536 5.969 1.00 0.38 H new ATOM 0 HB1 ALA A 94 6.122 12.019 8.007 1.00 0.41 H new ATOM 0 HB2 ALA A 94 4.532 11.320 8.397 1.00 0.41 H new ATOM 0 HB3 ALA A 94 5.994 10.309 8.484 1.00 0.41 H new ATOM 1655 N GLU A 95 7.254 11.631 5.339 1.00 0.38 N ATOM 1656 CA GLU A 95 8.552 11.588 4.675 1.00 0.37 C ATOM 1657 C GLU A 95 9.652 11.199 5.655 1.00 0.37 C ATOM 1658 O GLU A 95 9.716 11.719 6.768 1.00 0.40 O ATOM 1659 CB GLU A 95 8.869 12.944 4.043 1.00 0.39 C ATOM 1660 CG GLU A 95 7.722 13.523 3.231 1.00 0.40 C ATOM 1661 CD GLU A 95 7.044 14.687 3.926 1.00 0.44 C ATOM 1662 OE1 GLU A 95 7.646 15.779 3.979 1.00 0.46 O ATOM 1663 OE2 GLU A 95 5.910 14.505 4.418 1.00 0.44 O ATOM 0 H GLU A 95 6.844 12.563 5.401 1.00 0.38 H new ATOM 0 HA GLU A 95 8.507 10.832 3.891 1.00 0.37 H new ATOM 0 HB2 GLU A 95 9.137 13.648 4.831 1.00 0.39 H new ATOM 0 HB3 GLU A 95 9.742 12.839 3.399 1.00 0.39 H new ATOM 0 HG2 GLU A 95 8.098 13.852 2.262 1.00 0.40 H new ATOM 0 HG3 GLU A 95 6.987 12.741 3.039 1.00 0.40 H new ATOM 1670 N ALA A 96 10.514 10.280 5.232 1.00 0.36 N ATOM 1671 CA ALA A 96 11.614 9.819 6.074 1.00 0.36 C ATOM 1672 C ALA A 96 12.955 10.011 5.376 1.00 0.37 C ATOM 1673 O ALA A 96 13.087 9.758 4.180 1.00 0.36 O ATOM 1674 CB ALA A 96 11.414 8.357 6.440 1.00 0.34 C ATOM 0 H ALA A 96 10.473 9.840 4.313 1.00 0.36 H new ATOM 0 HA ALA A 96 11.620 10.416 6.986 1.00 0.36 H new ATOM 0 HB1 ALA A 96 12.240 8.023 7.068 1.00 0.34 H new ATOM 0 HB2 ALA A 96 10.476 8.243 6.983 1.00 0.34 H new ATOM 0 HB3 ALA A 96 11.383 7.755 5.532 1.00 0.34 H new ATOM 1680 N SER A 97 13.951 10.466 6.132 1.00 0.39 N ATOM 1681 CA SER A 97 15.286 10.691 5.585 1.00 0.40 C ATOM 1682 C SER A 97 16.276 9.664 6.126 1.00 0.41 C ATOM 1683 O SER A 97 16.424 9.510 7.340 1.00 0.41 O ATOM 1684 CB SER A 97 15.764 12.104 5.920 1.00 0.43 C ATOM 1685 OG SER A 97 15.611 12.382 7.299 1.00 0.44 O ATOM 0 H SER A 97 13.859 10.686 7.124 1.00 0.39 H new ATOM 0 HA SER A 97 15.232 10.580 4.502 1.00 0.40 H new ATOM 0 HB2 SER A 97 16.811 12.213 5.638 1.00 0.43 H new ATOM 0 HB3 SER A 97 15.199 12.830 5.335 1.00 0.43 H new ATOM 0 HG SER A 97 15.795 11.572 7.818 1.00 0.44 H new ATOM 1691 N GLU A 98 16.951 8.965 5.221 1.00 0.41 N ATOM 1692 CA GLU A 98 17.929 7.954 5.607 1.00 0.41 C ATOM 1693 C GLU A 98 19.257 8.181 4.888 1.00 0.44 C ATOM 1694 O GLU A 98 19.578 9.306 4.503 1.00 0.45 O ATOM 1695 CB GLU A 98 17.392 6.554 5.299 1.00 0.40 C ATOM 1696 CG GLU A 98 16.180 6.171 6.131 1.00 0.38 C ATOM 1697 CD GLU A 98 16.543 5.310 7.325 1.00 0.39 C ATOM 1698 OE1 GLU A 98 17.357 4.377 7.160 1.00 0.40 O ATOM 1699 OE2 GLU A 98 16.011 5.568 8.426 1.00 0.39 O ATOM 0 H GLU A 98 16.839 9.080 4.214 1.00 0.41 H new ATOM 0 HA GLU A 98 18.103 8.037 6.680 1.00 0.41 H new ATOM 0 HB2 GLU A 98 17.129 6.499 4.243 1.00 0.40 H new ATOM 0 HB3 GLU A 98 18.184 5.825 5.469 1.00 0.40 H new ATOM 0 HG2 GLU A 98 15.681 7.076 6.478 1.00 0.38 H new ATOM 0 HG3 GLU A 98 15.468 5.635 5.504 1.00 0.38 H new ATOM 1706 N ASP A 99 20.026 7.111 4.714 1.00 0.45 N ATOM 1707 CA ASP A 99 21.318 7.198 4.042 1.00 0.47 C ATOM 1708 C ASP A 99 21.147 7.192 2.525 1.00 0.48 C ATOM 1709 O ASP A 99 22.103 6.957 1.786 1.00 0.50 O ATOM 1710 CB ASP A 99 22.218 6.037 4.469 1.00 0.49 C ATOM 1711 CG ASP A 99 22.865 6.276 5.819 1.00 0.50 C ATOM 1712 OD1 ASP A 99 22.126 6.415 6.816 1.00 0.49 O ATOM 1713 OD2 ASP A 99 24.112 6.326 5.879 1.00 0.52 O ATOM 0 H ASP A 99 19.777 6.173 5.029 1.00 0.45 H new ATOM 0 HA ASP A 99 21.786 8.139 4.332 1.00 0.47 H new ATOM 0 HB2 ASP A 99 21.630 5.120 4.508 1.00 0.49 H new ATOM 0 HB3 ASP A 99 22.994 5.887 3.718 1.00 0.49 H new ATOM 1718 N GLY A 100 19.925 7.448 2.070 1.00 0.45 N ATOM 1719 CA GLY A 100 19.653 7.469 0.643 1.00 0.46 C ATOM 1720 C GLY A 100 18.951 6.212 0.166 1.00 0.44 C ATOM 1721 O GLY A 100 19.593 5.285 -0.327 1.00 0.46 O ATOM 0 H GLY A 100 19.118 7.641 2.663 1.00 0.45 H new ATOM 0 HA2 GLY A 100 19.037 8.337 0.407 1.00 0.46 H new ATOM 0 HA3 GLY A 100 20.591 7.586 0.100 1.00 0.46 H new ATOM 1725 N PHE A 101 17.630 6.183 0.312 1.00 0.41 N ATOM 1726 CA PHE A 101 16.838 5.032 -0.110 1.00 0.40 C ATOM 1727 C PHE A 101 16.988 4.796 -1.613 1.00 0.42 C ATOM 1728 O PHE A 101 17.135 5.747 -2.381 1.00 0.43 O ATOM 1729 CB PHE A 101 15.364 5.248 0.242 1.00 0.36 C ATOM 1730 CG PHE A 101 14.753 4.109 1.009 1.00 0.35 C ATOM 1731 CD1 PHE A 101 15.154 3.833 2.307 1.00 0.35 C ATOM 1732 CD2 PHE A 101 13.780 3.312 0.430 1.00 0.33 C ATOM 1733 CE1 PHE A 101 14.594 2.785 3.012 1.00 0.34 C ATOM 1734 CE2 PHE A 101 13.218 2.262 1.130 1.00 0.32 C ATOM 1735 CZ PHE A 101 13.628 1.997 2.422 1.00 0.33 C ATOM 0 H PHE A 101 17.085 6.943 0.719 1.00 0.41 H new ATOM 0 HA PHE A 101 17.204 4.151 0.417 1.00 0.40 H new ATOM 0 HB2 PHE A 101 15.270 6.162 0.829 1.00 0.36 H new ATOM 0 HB3 PHE A 101 14.799 5.400 -0.677 1.00 0.36 H new ATOM 0 HD1 PHE A 101 15.913 4.444 2.773 1.00 0.35 H new ATOM 0 HD2 PHE A 101 13.457 3.514 -0.581 1.00 0.33 H new ATOM 0 HE1 PHE A 101 14.912 2.583 4.024 1.00 0.34 H new ATOM 0 HE2 PHE A 101 12.459 1.649 0.667 1.00 0.32 H new ATOM 0 HZ PHE A 101 13.193 1.174 2.969 1.00 0.33 H new ATOM 1745 N PRO A 102 16.955 3.521 -2.053 1.00 0.42 N ATOM 1746 CA PRO A 102 17.090 3.173 -3.474 1.00 0.44 C ATOM 1747 C PRO A 102 16.134 3.961 -4.362 1.00 0.43 C ATOM 1748 O PRO A 102 15.003 4.252 -3.969 1.00 0.40 O ATOM 1749 CB PRO A 102 16.744 1.684 -3.507 1.00 0.44 C ATOM 1750 CG PRO A 102 17.084 1.187 -2.146 1.00 0.44 C ATOM 1751 CD PRO A 102 16.789 2.323 -1.207 1.00 0.41 C ATOM 0 HA PRO A 102 18.084 3.404 -3.856 1.00 0.44 H new ATOM 0 HB2 PRO A 102 15.689 1.527 -3.734 1.00 0.44 H new ATOM 0 HB3 PRO A 102 17.316 1.161 -4.274 1.00 0.44 H new ATOM 0 HG2 PRO A 102 16.493 0.307 -1.892 1.00 0.44 H new ATOM 0 HG3 PRO A 102 18.132 0.894 -2.088 1.00 0.44 H new ATOM 0 HD2 PRO A 102 15.780 2.256 -0.800 1.00 0.41 H new ATOM 0 HD3 PRO A 102 17.475 2.332 -0.360 1.00 0.41 H new ATOM 1759 N GLU A 103 16.596 4.306 -5.561 1.00 0.46 N ATOM 1760 CA GLU A 103 15.784 5.059 -6.508 1.00 0.46 C ATOM 1761 C GLU A 103 14.705 4.176 -7.126 1.00 0.45 C ATOM 1762 O GLU A 103 14.803 2.949 -7.099 1.00 0.45 O ATOM 1763 CB GLU A 103 16.666 5.652 -7.610 1.00 0.50 C ATOM 1764 CG GLU A 103 16.142 6.965 -8.171 1.00 0.50 C ATOM 1765 CD GLU A 103 17.163 7.678 -9.033 1.00 0.54 C ATOM 1766 OE1 GLU A 103 18.186 8.139 -8.485 1.00 0.55 O ATOM 1767 OE2 GLU A 103 16.942 7.776 -10.259 1.00 0.56 O ATOM 0 H GLU A 103 17.530 4.075 -5.899 1.00 0.46 H new ATOM 0 HA GLU A 103 15.297 5.869 -5.965 1.00 0.46 H new ATOM 0 HB2 GLU A 103 17.669 5.811 -7.214 1.00 0.50 H new ATOM 0 HB3 GLU A 103 16.754 4.929 -8.421 1.00 0.50 H new ATOM 0 HG2 GLU A 103 15.245 6.772 -8.760 1.00 0.50 H new ATOM 0 HG3 GLU A 103 15.848 7.616 -7.348 1.00 0.50 H new ATOM 1774 N SER A 104 13.679 4.809 -7.684 1.00 0.43 N ATOM 1775 CA SER A 104 12.579 4.084 -8.312 1.00 0.42 C ATOM 1776 C SER A 104 13.060 3.305 -9.532 1.00 0.46 C ATOM 1777 O SER A 104 12.476 2.284 -9.897 1.00 0.45 O ATOM 1778 CB SER A 104 11.468 5.055 -8.719 1.00 0.41 C ATOM 1779 OG SER A 104 11.254 6.035 -7.717 1.00 0.39 O ATOM 0 H SER A 104 13.586 5.824 -7.715 1.00 0.43 H new ATOM 0 HA SER A 104 12.186 3.374 -7.585 1.00 0.42 H new ATOM 0 HB2 SER A 104 11.732 5.542 -9.658 1.00 0.41 H new ATOM 0 HB3 SER A 104 10.545 4.503 -8.895 1.00 0.41 H new ATOM 0 HG SER A 104 10.320 6.002 -7.421 1.00 0.39 H new ATOM 1785 N SER A 105 14.127 3.794 -10.157 1.00 0.49 N ATOM 1786 CA SER A 105 14.685 3.143 -11.337 1.00 0.53 C ATOM 1787 C SER A 105 15.594 1.982 -10.944 1.00 0.55 C ATOM 1788 O SER A 105 16.081 1.246 -11.803 1.00 0.58 O ATOM 1789 CB SER A 105 15.465 4.153 -12.180 1.00 0.56 C ATOM 1790 OG SER A 105 14.913 4.266 -13.482 1.00 0.58 O ATOM 0 H SER A 105 14.622 4.637 -9.866 1.00 0.49 H new ATOM 0 HA SER A 105 13.858 2.747 -11.926 1.00 0.53 H new ATOM 0 HB2 SER A 105 15.452 5.127 -11.690 1.00 0.56 H new ATOM 0 HB3 SER A 105 16.508 3.845 -12.249 1.00 0.56 H new ATOM 0 HG SER A 105 15.428 4.919 -14.000 1.00 0.58 H new ATOM 1796 N GLN A 106 15.818 1.829 -9.645 1.00 0.52 N ATOM 1797 CA GLN A 106 16.667 0.757 -9.135 1.00 0.54 C ATOM 1798 C GLN A 106 15.911 -0.099 -8.125 1.00 0.51 C ATOM 1799 O GLN A 106 16.499 -0.934 -7.440 1.00 0.52 O ATOM 1800 CB GLN A 106 17.926 1.339 -8.487 1.00 0.55 C ATOM 1801 CG GLN A 106 18.623 2.385 -9.340 1.00 0.58 C ATOM 1802 CD GLN A 106 20.048 2.649 -8.895 1.00 0.60 C ATOM 1803 OE1 GLN A 106 20.454 3.797 -8.717 1.00 0.60 O ATOM 1804 NE2 GLN A 106 20.818 1.579 -8.712 1.00 0.62 N ATOM 0 H GLN A 106 15.424 2.433 -8.924 1.00 0.52 H new ATOM 0 HA GLN A 106 16.958 0.126 -9.975 1.00 0.54 H new ATOM 0 HB2 GLN A 106 17.658 1.784 -7.529 1.00 0.55 H new ATOM 0 HB3 GLN A 106 18.624 0.529 -8.278 1.00 0.55 H new ATOM 0 HG2 GLN A 106 18.626 2.057 -10.379 1.00 0.58 H new ATOM 0 HG3 GLN A 106 18.057 3.315 -9.301 1.00 0.58 H new ATOM 0 HE21 GLN A 106 20.440 0.645 -8.871 1.00 0.62 H new ATOM 0 HE22 GLN A 106 21.786 1.693 -8.412 1.00 0.62 H new ATOM 1813 N ILE A 107 14.602 0.117 -8.040 1.00 0.48 N ATOM 1814 CA ILE A 107 13.761 -0.631 -7.115 1.00 0.45 C ATOM 1815 C ILE A 107 13.117 -1.837 -7.807 1.00 0.46 C ATOM 1816 O ILE A 107 12.407 -1.678 -8.802 1.00 0.46 O ATOM 1817 CB ILE A 107 12.657 0.272 -6.511 1.00 0.40 C ATOM 1818 CG1 ILE A 107 13.199 1.024 -5.295 1.00 0.39 C ATOM 1819 CG2 ILE A 107 11.428 -0.542 -6.124 1.00 0.38 C ATOM 1820 CD1 ILE A 107 12.413 2.272 -4.957 1.00 0.36 C ATOM 0 H ILE A 107 14.101 0.805 -8.602 1.00 0.48 H new ATOM 0 HA ILE A 107 14.403 -0.989 -6.310 1.00 0.45 H new ATOM 0 HB ILE A 107 12.356 0.993 -7.271 1.00 0.40 H new ATOM 0 HG12 ILE A 107 13.194 0.357 -4.433 1.00 0.39 H new ATOM 0 HG13 ILE A 107 14.238 1.298 -5.480 1.00 0.39 H new ATOM 0 HG21 ILE A 107 10.671 0.120 -5.703 1.00 0.38 H new ATOM 0 HG22 ILE A 107 11.026 -1.037 -7.008 1.00 0.38 H new ATOM 0 HG23 ILE A 107 11.707 -1.292 -5.384 1.00 0.38 H new ATOM 0 HD11 ILE A 107 12.854 2.754 -4.084 1.00 0.36 H new ATOM 0 HD12 ILE A 107 12.439 2.959 -5.803 1.00 0.36 H new ATOM 0 HD13 ILE A 107 11.379 2.003 -4.740 1.00 0.36 H new ATOM 1832 N PRO A 108 13.365 -3.061 -7.299 1.00 0.47 N ATOM 1833 CA PRO A 108 12.793 -4.286 -7.875 1.00 0.48 C ATOM 1834 C PRO A 108 11.277 -4.205 -8.013 1.00 0.45 C ATOM 1835 O PRO A 108 10.632 -3.341 -7.417 1.00 0.41 O ATOM 1836 CB PRO A 108 13.183 -5.372 -6.868 1.00 0.49 C ATOM 1837 CG PRO A 108 14.403 -4.846 -6.201 1.00 0.50 C ATOM 1838 CD PRO A 108 14.225 -3.354 -6.136 1.00 0.47 C ATOM 0 HA PRO A 108 13.162 -4.473 -8.884 1.00 0.48 H new ATOM 0 HB2 PRO A 108 12.384 -5.551 -6.149 1.00 0.49 H new ATOM 0 HB3 PRO A 108 13.382 -6.321 -7.366 1.00 0.49 H new ATOM 0 HG2 PRO A 108 14.516 -5.270 -5.203 1.00 0.50 H new ATOM 0 HG3 PRO A 108 15.299 -5.109 -6.763 1.00 0.50 H new ATOM 0 HD2 PRO A 108 13.756 -3.046 -5.202 1.00 0.47 H new ATOM 0 HD3 PRO A 108 15.180 -2.832 -6.201 1.00 0.47 H new ATOM 1846 N GLU A 109 10.714 -5.112 -8.804 1.00 0.47 N ATOM 1847 CA GLU A 109 9.273 -5.142 -9.034 1.00 0.44 C ATOM 1848 C GLU A 109 8.673 -6.466 -8.571 1.00 0.44 C ATOM 1849 O GLU A 109 7.516 -6.768 -8.863 1.00 0.43 O ATOM 1850 CB GLU A 109 8.966 -4.919 -10.516 1.00 0.46 C ATOM 1851 CG GLU A 109 9.815 -5.766 -11.450 1.00 0.51 C ATOM 1852 CD GLU A 109 9.318 -5.732 -12.881 1.00 0.53 C ATOM 1853 OE1 GLU A 109 8.318 -6.422 -13.179 1.00 0.52 O ATOM 1854 OE2 GLU A 109 9.925 -5.017 -13.706 1.00 0.55 O ATOM 0 H GLU A 109 11.234 -5.837 -9.298 1.00 0.47 H new ATOM 0 HA GLU A 109 8.822 -4.338 -8.452 1.00 0.44 H new ATOM 0 HB2 GLU A 109 7.914 -5.138 -10.697 1.00 0.46 H new ATOM 0 HB3 GLU A 109 9.118 -3.866 -10.755 1.00 0.46 H new ATOM 0 HG2 GLU A 109 10.846 -5.413 -11.419 1.00 0.51 H new ATOM 0 HG3 GLU A 109 9.820 -6.797 -11.096 1.00 0.51 H new ATOM 1861 N ASN A 110 9.469 -7.253 -7.853 1.00 0.46 N ATOM 1862 CA ASN A 110 9.019 -8.546 -7.349 1.00 0.48 C ATOM 1863 C ASN A 110 7.737 -8.399 -6.532 1.00 0.44 C ATOM 1864 O ASN A 110 7.691 -7.645 -5.561 1.00 0.41 O ATOM 1865 CB ASN A 110 10.111 -9.193 -6.493 1.00 0.50 C ATOM 1866 CG ASN A 110 10.122 -10.703 -6.615 1.00 0.54 C ATOM 1867 OD1 ASN A 110 9.222 -11.385 -6.127 1.00 0.53 O ATOM 1868 ND2 ASN A 110 11.148 -11.237 -7.270 1.00 0.58 N ATOM 0 H ASN A 110 10.430 -7.017 -7.607 1.00 0.46 H new ATOM 0 HA ASN A 110 8.810 -9.187 -8.206 1.00 0.48 H new ATOM 0 HB2 ASN A 110 11.083 -8.800 -6.791 1.00 0.50 H new ATOM 0 HB3 ASN A 110 9.962 -8.917 -5.449 1.00 0.50 H new ATOM 0 HD21 ASN A 110 11.210 -12.249 -7.383 1.00 0.58 H new ATOM 0 HD22 ASN A 110 11.873 -10.635 -7.659 1.00 0.58 H new ATOM 1875 N THR A 111 6.700 -9.127 -6.937 1.00 0.44 N ATOM 1876 CA THR A 111 5.417 -9.082 -6.249 1.00 0.41 C ATOM 1877 C THR A 111 5.356 -10.123 -5.131 1.00 0.42 C ATOM 1878 O THR A 111 5.359 -11.325 -5.397 1.00 0.45 O ATOM 1879 CB THR A 111 4.250 -9.330 -7.224 1.00 0.40 C ATOM 1880 OG1 THR A 111 4.757 -9.629 -8.530 1.00 0.44 O ATOM 1881 CG2 THR A 111 3.337 -8.115 -7.296 1.00 0.36 C ATOM 0 H THR A 111 6.725 -9.756 -7.740 1.00 0.44 H new ATOM 0 HA THR A 111 5.321 -8.084 -5.821 1.00 0.41 H new ATOM 0 HB THR A 111 3.673 -10.178 -6.856 1.00 0.40 H new ATOM 0 HG1 THR A 111 4.009 -9.787 -9.143 1.00 0.44 H new ATOM 0 HG21 THR A 111 2.521 -8.314 -7.990 1.00 0.36 H new ATOM 0 HG22 THR A 111 2.929 -7.907 -6.307 1.00 0.36 H new ATOM 0 HG23 THR A 111 3.906 -7.252 -7.642 1.00 0.36 H new ATOM 1889 N PRO A 112 5.303 -9.679 -3.857 1.00 0.40 N ATOM 1890 CA PRO A 112 5.243 -10.591 -2.707 1.00 0.42 C ATOM 1891 C PRO A 112 4.051 -11.538 -2.778 1.00 0.43 C ATOM 1892 O PRO A 112 2.950 -11.142 -3.156 1.00 0.40 O ATOM 1893 CB PRO A 112 5.105 -9.648 -1.508 1.00 0.38 C ATOM 1894 CG PRO A 112 5.652 -8.348 -1.981 1.00 0.36 C ATOM 1895 CD PRO A 112 5.301 -8.265 -3.437 1.00 0.36 C ATOM 0 HA PRO A 112 6.118 -11.239 -2.658 1.00 0.42 H new ATOM 0 HB2 PRO A 112 4.064 -9.550 -1.200 1.00 0.38 H new ATOM 0 HB3 PRO A 112 5.659 -10.020 -0.646 1.00 0.38 H new ATOM 0 HG2 PRO A 112 5.219 -7.516 -1.426 1.00 0.36 H new ATOM 0 HG3 PRO A 112 6.731 -8.301 -1.835 1.00 0.36 H new ATOM 0 HD2 PRO A 112 4.328 -7.799 -3.592 1.00 0.36 H new ATOM 0 HD3 PRO A 112 6.029 -7.677 -3.995 1.00 0.36 H new ATOM 1903 N THR A 113 4.282 -12.795 -2.408 1.00 0.46 N ATOM 1904 CA THR A 113 3.229 -13.805 -2.428 1.00 0.48 C ATOM 1905 C THR A 113 3.491 -14.890 -1.387 1.00 0.51 C ATOM 1906 O THR A 113 4.554 -15.511 -1.377 1.00 0.54 O ATOM 1907 CB THR A 113 3.106 -14.463 -3.815 1.00 0.50 C ATOM 1908 OG1 THR A 113 3.887 -13.739 -4.773 1.00 0.49 O ATOM 1909 CG2 THR A 113 1.655 -14.504 -4.268 1.00 0.49 C ATOM 0 H THR A 113 5.189 -13.138 -2.091 1.00 0.46 H new ATOM 0 HA THR A 113 2.296 -13.293 -2.193 1.00 0.48 H new ATOM 0 HB THR A 113 3.477 -15.485 -3.740 1.00 0.50 H new ATOM 0 HG1 THR A 113 3.804 -14.165 -5.652 1.00 0.49 H new ATOM 0 HG21 THR A 113 1.594 -14.973 -5.250 1.00 0.49 H new ATOM 0 HG22 THR A 113 1.067 -15.080 -3.553 1.00 0.49 H new ATOM 0 HG23 THR A 113 1.263 -13.489 -4.326 1.00 0.49 H new ATOM 1917 N ALA A 114 2.514 -15.112 -0.512 1.00 0.51 N ATOM 1918 CA ALA A 114 2.638 -16.120 0.536 1.00 0.54 C ATOM 1919 C ALA A 114 2.725 -17.522 -0.059 1.00 0.58 C ATOM 1920 O ALA A 114 2.405 -17.731 -1.229 1.00 0.58 O ATOM 1921 CB ALA A 114 1.467 -16.025 1.501 1.00 0.53 C ATOM 0 H ALA A 114 1.628 -14.607 -0.508 1.00 0.51 H new ATOM 0 HA ALA A 114 3.561 -15.928 1.083 1.00 0.54 H new ATOM 0 HB1 ALA A 114 1.573 -16.783 2.277 1.00 0.53 H new ATOM 0 HB2 ALA A 114 1.452 -15.036 1.959 1.00 0.53 H new ATOM 0 HB3 ALA A 114 0.535 -16.188 0.960 1.00 0.53 H new ATOM 1927 N ARG A 115 3.160 -18.480 0.756 1.00 0.61 N ATOM 1928 CA ARG A 115 3.288 -19.862 0.311 1.00 0.65 C ATOM 1929 C ARG A 115 1.973 -20.616 0.487 1.00 0.66 C ATOM 1930 O ARG A 115 1.275 -20.439 1.485 1.00 0.66 O ATOM 1931 CB ARG A 115 4.402 -20.571 1.084 1.00 0.69 C ATOM 1932 CG ARG A 115 4.287 -20.427 2.594 1.00 0.69 C ATOM 1933 CD ARG A 115 5.505 -20.995 3.302 1.00 0.72 C ATOM 1934 NE ARG A 115 6.749 -20.414 2.803 1.00 0.71 N ATOM 1935 CZ ARG A 115 7.806 -21.135 2.435 1.00 0.74 C ATOM 1936 NH1 ARG A 115 7.773 -22.458 2.521 1.00 0.78 N ATOM 1937 NH2 ARG A 115 8.895 -20.531 1.982 1.00 0.73 N ATOM 0 H ARG A 115 3.429 -18.323 1.727 1.00 0.61 H new ATOM 0 HA ARG A 115 3.542 -19.851 -0.749 1.00 0.65 H new ATOM 0 HB2 ARG A 115 4.393 -21.630 0.827 1.00 0.69 H new ATOM 0 HB3 ARG A 115 5.365 -20.174 0.762 1.00 0.69 H new ATOM 0 HG2 ARG A 115 4.173 -19.374 2.852 1.00 0.69 H new ATOM 0 HG3 ARG A 115 3.390 -20.940 2.942 1.00 0.69 H new ATOM 0 HD2 ARG A 115 5.422 -20.808 4.373 1.00 0.72 H new ATOM 0 HD3 ARG A 115 5.531 -22.076 3.168 1.00 0.72 H new ATOM 0 HE ARG A 115 6.811 -19.398 2.733 1.00 0.71 H new ATOM 0 HH11 ARG A 115 6.936 -22.926 2.870 1.00 0.78 H new ATOM 0 HH12 ARG A 115 8.584 -23.008 2.238 1.00 0.78 H new ATOM 0 HH21 ARG A 115 8.924 -19.514 1.915 1.00 0.73 H new ATOM 0 HH22 ARG A 115 9.705 -21.083 1.700 1.00 0.73 H new ATOM 1951 N ARG A 116 1.645 -21.456 -0.489 1.00 0.68 N ATOM 1952 CA ARG A 116 0.415 -22.240 -0.446 1.00 0.70 C ATOM 1953 C ARG A 116 0.723 -23.726 -0.304 1.00 0.74 C ATOM 1954 O ARG A 116 1.755 -24.203 -0.778 1.00 0.77 O ATOM 1955 CB ARG A 116 -0.413 -21.996 -1.709 1.00 0.68 C ATOM 1956 CG ARG A 116 -1.135 -20.659 -1.714 1.00 0.64 C ATOM 1957 CD ARG A 116 -2.050 -20.527 -2.920 1.00 0.63 C ATOM 1958 NE ARG A 116 -1.529 -19.583 -3.904 1.00 0.60 N ATOM 1959 CZ ARG A 116 -1.557 -18.262 -3.751 1.00 0.56 C ATOM 1960 NH1 ARG A 116 -2.081 -17.729 -2.654 1.00 0.55 N ATOM 1961 NH2 ARG A 116 -1.062 -17.473 -4.694 1.00 0.55 N ATOM 0 H ARG A 116 2.214 -21.612 -1.321 1.00 0.68 H new ATOM 0 HA ARG A 116 -0.160 -21.922 0.424 1.00 0.70 H new ATOM 0 HB2 ARG A 116 0.242 -22.049 -2.579 1.00 0.68 H new ATOM 0 HB3 ARG A 116 -1.146 -22.796 -1.813 1.00 0.68 H new ATOM 0 HG2 ARG A 116 -1.719 -20.556 -0.799 1.00 0.64 H new ATOM 0 HG3 ARG A 116 -0.405 -19.850 -1.719 1.00 0.64 H new ATOM 0 HD2 ARG A 116 -2.177 -21.504 -3.387 1.00 0.63 H new ATOM 0 HD3 ARG A 116 -3.037 -20.200 -2.592 1.00 0.63 H new ATOM 0 HE ARG A 116 -1.119 -19.959 -4.759 1.00 0.60 H new ATOM 0 HH11 ARG A 116 -2.463 -18.333 -1.926 1.00 0.55 H new ATOM 0 HH12 ARG A 116 -2.101 -16.716 -2.539 1.00 0.55 H new ATOM 0 HH21 ARG A 116 -0.659 -17.879 -5.539 1.00 0.55 H new ATOM 0 HH22 ARG A 116 -1.084 -16.460 -4.575 1.00 0.55 H new ATOM 1975 N ARG A 117 -0.179 -24.454 0.349 1.00 0.76 N ATOM 1976 CA ARG A 117 -0.004 -25.887 0.552 1.00 0.80 C ATOM 1977 C ARG A 117 -0.376 -26.664 -0.706 1.00 0.82 C ATOM 1978 O ARG A 117 0.434 -27.539 -1.104 1.00 0.85 O ATOM 1979 CB ARG A 117 -0.853 -26.364 1.733 1.00 0.82 C ATOM 1980 CG ARG A 117 -0.763 -25.464 2.953 1.00 0.80 C ATOM 1981 CD ARG A 117 -1.660 -25.955 4.075 1.00 0.81 C ATOM 1982 NE ARG A 117 -2.996 -25.369 4.003 1.00 0.79 N ATOM 1983 CZ ARG A 117 -3.983 -25.672 4.841 1.00 0.81 C ATOM 1984 NH1 ARG A 117 -3.787 -26.554 5.812 1.00 0.84 N ATOM 1985 NH2 ARG A 117 -5.168 -25.092 4.708 1.00 0.79 N ATOM 1986 OXT ARG A 117 -1.450 -26.400 -1.338 1.00 0.81 O ATOM 0 H ARG A 117 -1.038 -24.074 0.746 1.00 0.76 H new ATOM 0 HA ARG A 117 1.047 -26.072 0.773 1.00 0.80 H new ATOM 0 HB2 ARG A 117 -1.894 -26.430 1.417 1.00 0.82 H new ATOM 0 HB3 ARG A 117 -0.540 -27.370 2.011 1.00 0.82 H new ATOM 0 HG2 ARG A 117 0.269 -25.425 3.302 1.00 0.80 H new ATOM 0 HG3 ARG A 117 -1.046 -24.448 2.678 1.00 0.80 H new ATOM 0 HD2 ARG A 117 -1.737 -27.041 4.028 1.00 0.81 H new ATOM 0 HD3 ARG A 117 -1.207 -25.709 5.035 1.00 0.81 H new ATOM 0 HE ARG A 117 -3.183 -24.688 3.267 1.00 0.79 H new ATOM 0 HH11 ARG A 117 -2.877 -27.002 5.918 1.00 0.84 H new ATOM 0 HH12 ARG A 117 -4.546 -26.784 6.453 1.00 0.84 H new ATOM 0 HH21 ARG A 117 -5.323 -24.413 3.963 1.00 0.79 H new ATOM 0 HH22 ARG A 117 -5.925 -25.325 5.351 1.00 0.79 H new