USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 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 53 GLN : amide:sc= -6.06! C(o=-13!,f=-11!) USER MOD Set 1.2: A 99 GLN : amide:sc= -5.43! K(o=-13!,f=-7.4) USER MOD Set 1.3: A 102 TYR OH : rot -18:sc= -1.89 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= -0.29! USER MOD Set 2.2: A 31 GLN : amide:sc= -1 X(o=-2.3,f=-1.8) USER MOD Set 2.3: A 33 THR OG1 : rot 110:sc= -0.975 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 47:sc= 0.246 USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= -0.0817 (180deg=-0.495) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= 0.99 (180deg=0.692) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.035) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.00578) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0954 X(o=-0.095,f=-0.48) USER MOD Single : A 52 TYR OH : rot 90:sc= -0.775 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.911! (180deg=-1.53!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.17 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -1.56! USER MOD Single : A 70 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.28) USER MOD Single : A 73 GLN : amide:sc= -0.187 K(o=-0.19,f=-0.81) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 160:sc= -0.117 (180deg=-0.615) USER MOD Single : A 79 ASN : amide:sc= -2.51! K(o=-2.5!,f=-0.033) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -7.36! C(o=-7.4!,f=-6.1!) USER MOD Single : A 85 THR OG1 : rot 64:sc= 0.546 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 24:sc= 0.117 USER MOD Single : A 95 ASN : amide:sc= -6.43! C(o=-6.4!,f=-22!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 140:sc= -0.513 USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= -0.134 (180deg=-0.643) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot -165:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 208 N VAL A 17 -12.664 -12.250 2.133 1.00 0.00 N ATOM 209 CA VAL A 17 -12.006 -11.020 1.711 1.00 0.00 C ATOM 210 C VAL A 17 -10.538 -11.269 1.381 1.00 0.00 C ATOM 211 O VAL A 17 -9.929 -12.238 1.835 1.00 0.00 O ATOM 212 CB VAL A 17 -12.100 -9.931 2.795 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.355 -9.094 2.603 1.00 0.00 C ATOM 214 CG2 VAL A 17 -12.074 -10.557 4.181 1.00 0.00 C ATOM 0 HA VAL A 17 -12.524 -10.675 0.816 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.236 -9.273 2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.405 -8.329 3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.327 -8.616 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.234 -9.735 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.141 -9.773 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.918 -11.238 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.144 -11.109 4.313 1.00 0.00 H new ATOM 224 N PRO A 18 -9.953 -10.372 0.573 1.00 0.00 N ATOM 225 CA PRO A 18 -8.548 -10.472 0.166 1.00 0.00 C ATOM 226 C PRO A 18 -7.589 -10.203 1.321 1.00 0.00 C ATOM 227 O PRO A 18 -7.837 -9.333 2.156 1.00 0.00 O ATOM 228 CB PRO A 18 -8.412 -9.387 -0.906 1.00 0.00 C ATOM 229 CG PRO A 18 -9.478 -8.398 -0.582 1.00 0.00 C ATOM 230 CD PRO A 18 -10.617 -9.192 -0.004 1.00 0.00 C ATOM 0 HA PRO A 18 -8.295 -11.472 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.424 -8.927 -0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.546 -9.800 -1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.118 -7.656 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.793 -7.857 -1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.158 -8.625 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.340 -9.472 -0.770 1.00 0.00 H new ATOM 238 N SER A 19 -6.494 -10.954 1.361 1.00 0.00 N ATOM 239 CA SER A 19 -5.499 -10.799 2.416 1.00 0.00 C ATOM 240 C SER A 19 -4.692 -9.519 2.218 1.00 0.00 C ATOM 241 O SER A 19 -4.536 -9.039 1.096 1.00 0.00 O ATOM 242 CB SER A 19 -4.561 -12.007 2.443 1.00 0.00 C ATOM 243 OG SER A 19 -5.272 -13.198 2.734 1.00 0.00 O ATOM 0 H SER A 19 -6.273 -11.676 0.675 1.00 0.00 H new ATOM 0 HA SER A 19 -6.024 -10.734 3.369 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.061 -12.105 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.784 -11.851 3.191 1.00 0.00 H new ATOM 0 HG SER A 19 -4.651 -13.956 2.744 1.00 0.00 H new ATOM 249 N SER A 20 -4.182 -8.973 3.317 1.00 0.00 N ATOM 250 CA SER A 20 -3.394 -7.747 3.266 1.00 0.00 C ATOM 251 C SER A 20 -2.264 -7.869 2.248 1.00 0.00 C ATOM 252 O SER A 20 -1.653 -8.925 2.084 1.00 0.00 O ATOM 253 CB SER A 20 -2.819 -7.427 4.647 1.00 0.00 C ATOM 254 OG SER A 20 -2.141 -8.546 5.188 1.00 0.00 O ATOM 0 H SER A 20 -4.300 -9.360 4.253 1.00 0.00 H new ATOM 0 HA SER A 20 -4.052 -6.935 2.957 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.133 -6.583 4.572 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.623 -7.125 5.318 1.00 0.00 H new ATOM 0 HG SER A 20 -1.781 -8.316 6.070 1.00 0.00 H new ATOM 260 N PRO A 21 -1.979 -6.762 1.546 1.00 0.00 N ATOM 261 CA PRO A 21 -0.921 -6.718 0.532 1.00 0.00 C ATOM 262 C PRO A 21 0.473 -6.807 1.145 1.00 0.00 C ATOM 263 O PRO A 21 0.642 -6.645 2.353 1.00 0.00 O ATOM 264 CB PRO A 21 -1.126 -5.356 -0.136 1.00 0.00 C ATOM 265 CG PRO A 21 -1.801 -4.524 0.900 1.00 0.00 C ATOM 266 CD PRO A 21 -2.667 -5.468 1.689 1.00 0.00 C ATOM 0 HA PRO A 21 -0.982 -7.560 -0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.176 -4.917 -0.439 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.738 -5.443 -1.034 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.071 -4.034 1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.399 -3.737 0.440 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.742 -5.166 2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.682 -5.507 1.294 1.00 0.00 H new ATOM 274 N TYR A 22 1.467 -7.066 0.303 1.00 0.00 N ATOM 275 CA TYR A 22 2.847 -7.179 0.762 1.00 0.00 C ATOM 276 C TYR A 22 3.800 -6.468 -0.195 1.00 0.00 C ATOM 277 O TYR A 22 3.408 -6.054 -1.286 1.00 0.00 O ATOM 278 CB TYR A 22 3.244 -8.651 0.894 1.00 0.00 C ATOM 279 CG TYR A 22 3.031 -9.451 -0.371 1.00 0.00 C ATOM 280 CD1 TYR A 22 1.785 -9.984 -0.678 1.00 0.00 C ATOM 281 CD2 TYR A 22 4.076 -9.675 -1.258 1.00 0.00 C ATOM 282 CE1 TYR A 22 1.586 -10.717 -1.831 1.00 0.00 C ATOM 283 CE2 TYR A 22 3.885 -10.405 -2.415 1.00 0.00 C ATOM 284 CZ TYR A 22 2.639 -10.924 -2.698 1.00 0.00 C ATOM 285 OH TYR A 22 2.447 -11.654 -3.849 1.00 0.00 O ATOM 0 H TYR A 22 1.344 -7.202 -0.700 1.00 0.00 H new ATOM 0 HA TYR A 22 2.918 -6.701 1.739 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.294 -8.711 1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.668 -9.103 1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.958 -9.822 -0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.054 -9.272 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.611 -11.126 -2.053 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.708 -10.569 -3.095 1.00 0.00 H new ATOM 0 HH TYR A 22 1.635 -11.344 -4.302 1.00 0.00 H new ATOM 295 N GLY A 23 5.054 -6.330 0.224 1.00 0.00 N ATOM 296 CA GLY A 23 6.044 -5.669 -0.607 1.00 0.00 C ATOM 297 C GLY A 23 5.938 -4.159 -0.545 1.00 0.00 C ATOM 298 O GLY A 23 6.855 -3.448 -0.957 1.00 0.00 O ATOM 0 H GLY A 23 5.402 -6.664 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.041 -5.973 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.924 -5.996 -1.640 1.00 0.00 H new ATOM 302 N VAL A 24 4.817 -3.667 -0.029 1.00 0.00 N ATOM 303 CA VAL A 24 4.594 -2.229 0.085 1.00 0.00 C ATOM 304 C VAL A 24 5.840 -1.520 0.602 1.00 0.00 C ATOM 305 O VAL A 24 6.291 -1.768 1.720 1.00 0.00 O ATOM 306 CB VAL A 24 3.412 -1.918 1.023 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.422 -2.853 2.222 1.00 0.00 C ATOM 308 CG2 VAL A 24 3.456 -0.464 1.469 1.00 0.00 C ATOM 0 H VAL A 24 4.049 -4.242 0.317 1.00 0.00 H new ATOM 0 HA VAL A 24 4.360 -1.863 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 24 2.483 -2.079 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.580 -2.618 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.340 -3.885 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.354 -2.727 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.614 -0.261 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.389 -0.274 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.396 0.186 0.596 1.00 0.00 H new ATOM 318 N LYS A 25 6.393 -0.634 -0.220 1.00 0.00 N ATOM 319 CA LYS A 25 7.586 0.115 0.153 1.00 0.00 C ATOM 320 C LYS A 25 7.706 1.394 -0.670 1.00 0.00 C ATOM 321 O LYS A 25 7.451 1.393 -1.874 1.00 0.00 O ATOM 322 CB LYS A 25 8.836 -0.747 -0.041 1.00 0.00 C ATOM 323 CG LYS A 25 8.909 -1.416 -1.403 1.00 0.00 C ATOM 324 CD LYS A 25 9.632 -0.542 -2.415 1.00 0.00 C ATOM 325 CE LYS A 25 11.128 -0.813 -2.415 1.00 0.00 C ATOM 326 NZ LYS A 25 11.444 -2.185 -2.900 1.00 0.00 N ATOM 0 H LYS A 25 6.033 -0.418 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 25 7.499 0.387 1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.721 -0.125 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.862 -1.514 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.424 -2.372 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.901 -1.629 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.228 -0.725 -3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.451 0.508 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.630 -0.080 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.520 -0.685 -1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.416 -2.207 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.357 -2.860 -2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.780 -2.447 -3.657 1.00 0.00 H new ATOM 340 N ILE A 26 8.095 2.481 -0.012 1.00 0.00 N ATOM 341 CA ILE A 26 8.250 3.765 -0.685 1.00 0.00 C ATOM 342 C ILE A 26 9.522 3.795 -1.526 1.00 0.00 C ATOM 343 O ILE A 26 10.623 3.610 -1.009 1.00 0.00 O ATOM 344 CB ILE A 26 8.288 4.928 0.325 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.085 4.853 1.268 1.00 0.00 C ATOM 346 CG2 ILE A 26 8.313 6.263 -0.405 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.782 4.556 0.562 1.00 0.00 C ATOM 0 H ILE A 26 8.308 2.498 0.985 1.00 0.00 H new ATOM 0 HA ILE A 26 7.384 3.887 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 26 9.198 4.844 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.268 4.082 2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.992 5.799 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.340 7.075 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.198 6.314 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.419 6.357 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.973 4.518 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.576 5.340 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.856 3.596 0.051 1.00 0.00 H new ATOM 359 N ILE A 27 9.360 4.031 -2.824 1.00 0.00 N ATOM 360 CA ILE A 27 10.496 4.089 -3.736 1.00 0.00 C ATOM 361 C ILE A 27 10.854 5.531 -4.078 1.00 0.00 C ATOM 362 O ILE A 27 12.026 5.907 -4.071 1.00 0.00 O ATOM 363 CB ILE A 27 10.210 3.320 -5.040 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.920 3.831 -5.686 1.00 0.00 C ATOM 365 CG2 ILE A 27 10.115 1.827 -4.765 1.00 0.00 C ATOM 366 CD1 ILE A 27 8.552 3.102 -6.958 1.00 0.00 C ATOM 0 H ILE A 27 8.454 4.185 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 27 11.336 3.621 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 27 11.034 3.490 -5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.102 3.734 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.029 4.893 -5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.913 1.298 -5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.056 1.474 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.308 1.638 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.628 3.517 -7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.352 3.220 -7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.411 2.043 -6.743 1.00 0.00 H new ATOM 378 N GLU A 28 9.837 6.334 -4.373 1.00 0.00 N ATOM 379 CA GLU A 28 10.045 7.736 -4.715 1.00 0.00 C ATOM 380 C GLU A 28 9.314 8.650 -3.736 1.00 0.00 C ATOM 381 O GLU A 28 8.155 9.007 -3.951 1.00 0.00 O ATOM 382 CB GLU A 28 9.568 8.012 -6.143 1.00 0.00 C ATOM 383 CG GLU A 28 10.352 7.256 -7.203 1.00 0.00 C ATOM 384 CD GLU A 28 10.408 7.997 -8.524 1.00 0.00 C ATOM 385 OE1 GLU A 28 9.455 7.865 -9.321 1.00 0.00 O ATOM 386 OE2 GLU A 28 11.406 8.709 -8.762 1.00 0.00 O ATOM 0 H GLU A 28 8.861 6.038 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 28 11.113 7.945 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.514 7.745 -6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.642 9.081 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.367 7.082 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.897 6.278 -7.358 1.00 0.00 H new ATOM 393 N LEU A 29 9.998 9.024 -2.661 1.00 0.00 N ATOM 394 CA LEU A 29 9.414 9.896 -1.648 1.00 0.00 C ATOM 395 C LEU A 29 9.880 11.337 -1.837 1.00 0.00 C ATOM 396 O LEU A 29 11.078 11.608 -1.907 1.00 0.00 O ATOM 397 CB LEU A 29 9.788 9.407 -0.248 1.00 0.00 C ATOM 398 CG LEU A 29 9.315 10.278 0.916 1.00 0.00 C ATOM 399 CD1 LEU A 29 7.865 9.973 1.257 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.206 10.070 2.132 1.00 0.00 C ATOM 0 H LEU A 29 10.958 8.737 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 29 8.330 9.866 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.381 8.405 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.873 9.320 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 29 9.383 11.323 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.546 10.603 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.237 10.173 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.770 8.924 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.855 10.697 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.170 9.024 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.232 10.340 1.882 1.00 0.00 H new ATOM 412 N SER A 30 8.924 12.257 -1.914 1.00 0.00 N ATOM 413 CA SER A 30 9.235 13.670 -2.095 1.00 0.00 C ATOM 414 C SER A 30 8.945 14.458 -0.821 1.00 0.00 C ATOM 415 O SER A 30 8.605 13.883 0.213 1.00 0.00 O ATOM 416 CB SER A 30 8.428 14.247 -3.260 1.00 0.00 C ATOM 417 OG SER A 30 8.535 15.659 -3.304 1.00 0.00 O ATOM 0 H SER A 30 7.927 12.049 -1.854 1.00 0.00 H new ATOM 0 HA SER A 30 10.298 13.756 -2.321 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.784 13.823 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.381 13.961 -3.158 1.00 0.00 H new ATOM 0 HG SER A 30 8.012 16.003 -4.058 1.00 0.00 H new ATOM 423 N GLN A 31 9.082 15.777 -0.904 1.00 0.00 N ATOM 424 CA GLN A 31 8.836 16.644 0.241 1.00 0.00 C ATOM 425 C GLN A 31 7.341 16.859 0.450 1.00 0.00 C ATOM 426 O GLN A 31 6.887 17.093 1.571 1.00 0.00 O ATOM 427 CB GLN A 31 9.535 17.992 0.048 1.00 0.00 C ATOM 428 CG GLN A 31 9.662 18.407 -1.409 1.00 0.00 C ATOM 429 CD GLN A 31 10.958 17.938 -2.039 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.960 17.350 -3.120 1.00 0.00 O ATOM 431 NE2 GLN A 31 12.072 18.198 -1.363 1.00 0.00 N ATOM 0 H GLN A 31 9.362 16.269 -1.753 1.00 0.00 H new ATOM 0 HA GLN A 31 9.242 16.156 1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.982 18.760 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.529 17.943 0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.821 18.002 -1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.600 19.493 -1.480 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.024 18.688 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.975 17.907 -1.737 1.00 0.00 H new ATOM 440 N THR A 32 6.578 16.777 -0.636 1.00 0.00 N ATOM 441 CA THR A 32 5.135 16.964 -0.572 1.00 0.00 C ATOM 442 C THR A 32 4.398 15.739 -1.103 1.00 0.00 C ATOM 443 O THR A 32 3.245 15.492 -0.748 1.00 0.00 O ATOM 444 CB THR A 32 4.692 18.202 -1.374 1.00 0.00 C ATOM 445 OG1 THR A 32 5.218 18.138 -2.704 1.00 0.00 O ATOM 446 CG2 THR A 32 5.163 19.481 -0.698 1.00 0.00 C ATOM 0 H THR A 32 6.937 16.582 -1.571 1.00 0.00 H new ATOM 0 HA THR A 32 4.882 17.111 0.478 1.00 0.00 H new ATOM 0 HB THR A 32 3.603 18.211 -1.415 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.930 18.928 -3.208 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.839 20.342 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.738 19.541 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.251 19.477 -0.630 1.00 0.00 H new ATOM 454 N THR A 33 5.071 14.973 -1.957 1.00 0.00 N ATOM 455 CA THR A 33 4.481 13.774 -2.537 1.00 0.00 C ATOM 456 C THR A 33 5.198 12.518 -2.054 1.00 0.00 C ATOM 457 O THR A 33 6.324 12.587 -1.562 1.00 0.00 O ATOM 458 CB THR A 33 4.523 13.816 -4.075 1.00 0.00 C ATOM 459 OG1 THR A 33 5.692 14.515 -4.515 1.00 0.00 O ATOM 460 CG2 THR A 33 3.280 14.495 -4.632 1.00 0.00 C ATOM 0 H THR A 33 6.026 15.163 -2.262 1.00 0.00 H new ATOM 0 HA THR A 33 3.442 13.743 -2.210 1.00 0.00 H new ATOM 0 HB THR A 33 4.554 12.791 -4.443 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.318 13.881 -4.923 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.332 14.513 -5.721 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.393 13.943 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.223 15.516 -4.255 1.00 0.00 H new ATOM 468 N ALA A 34 4.540 11.373 -2.200 1.00 0.00 N ATOM 469 CA ALA A 34 5.117 10.102 -1.781 1.00 0.00 C ATOM 470 C ALA A 34 4.592 8.953 -2.635 1.00 0.00 C ATOM 471 O ALA A 34 3.388 8.700 -2.683 1.00 0.00 O ATOM 472 CB ALA A 34 4.820 9.847 -0.310 1.00 0.00 C ATOM 0 H ALA A 34 3.607 11.300 -2.605 1.00 0.00 H new ATOM 0 HA ALA A 34 6.197 10.158 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.257 8.894 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.249 10.648 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.741 9.816 -0.157 1.00 0.00 H new ATOM 478 N LYS A 35 5.503 8.259 -3.310 1.00 0.00 N ATOM 479 CA LYS A 35 5.132 7.136 -4.163 1.00 0.00 C ATOM 480 C LYS A 35 5.222 5.820 -3.398 1.00 0.00 C ATOM 481 O LYS A 35 6.278 5.465 -2.874 1.00 0.00 O ATOM 482 CB LYS A 35 6.039 7.085 -5.395 1.00 0.00 C ATOM 483 CG LYS A 35 5.614 6.046 -6.420 1.00 0.00 C ATOM 484 CD LYS A 35 6.411 6.175 -7.707 1.00 0.00 C ATOM 485 CE LYS A 35 5.751 7.142 -8.677 1.00 0.00 C ATOM 486 NZ LYS A 35 6.654 7.495 -9.809 1.00 0.00 N ATOM 0 H LYS A 35 6.504 8.455 -3.283 1.00 0.00 H new ATOM 0 HA LYS A 35 4.100 7.280 -4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.051 8.067 -5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.059 6.873 -5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.750 5.047 -6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.552 6.160 -6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.420 6.519 -7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.507 5.196 -8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.836 6.697 -9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.463 8.049 -8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.340 8.389 -10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.626 7.603 -9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.627 6.740 -10.523 1.00 0.00 H new ATOM 500 N VAL A 36 4.107 5.098 -3.338 1.00 0.00 N ATOM 501 CA VAL A 36 4.061 3.819 -2.640 1.00 0.00 C ATOM 502 C VAL A 36 3.922 2.662 -3.622 1.00 0.00 C ATOM 503 O VAL A 36 2.972 2.607 -4.403 1.00 0.00 O ATOM 504 CB VAL A 36 2.892 3.770 -1.637 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.559 3.789 -2.369 1.00 0.00 C ATOM 506 CG2 VAL A 36 3.005 2.540 -0.749 1.00 0.00 C ATOM 0 H VAL A 36 3.224 5.378 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 36 5.001 3.720 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 36 2.943 4.655 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.745 3.754 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.481 4.702 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.494 2.924 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.172 2.521 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.980 1.642 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.944 2.575 -0.197 1.00 0.00 H new ATOM 516 N SER A 37 4.875 1.736 -3.576 1.00 0.00 N ATOM 517 CA SER A 37 4.862 0.580 -4.465 1.00 0.00 C ATOM 518 C SER A 37 4.674 -0.711 -3.673 1.00 0.00 C ATOM 519 O SER A 37 5.466 -1.028 -2.784 1.00 0.00 O ATOM 520 CB SER A 37 6.161 0.514 -5.270 1.00 0.00 C ATOM 521 OG SER A 37 6.241 -0.692 -6.011 1.00 0.00 O ATOM 0 H SER A 37 5.666 1.764 -2.932 1.00 0.00 H new ATOM 0 HA SER A 37 4.023 0.690 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.216 1.366 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.014 0.588 -4.596 1.00 0.00 H new ATOM 0 HG SER A 37 7.079 -0.709 -6.518 1.00 0.00 H new ATOM 527 N PHE A 38 3.622 -1.453 -4.002 1.00 0.00 N ATOM 528 CA PHE A 38 3.330 -2.709 -3.323 1.00 0.00 C ATOM 529 C PHE A 38 3.035 -3.817 -4.330 1.00 0.00 C ATOM 530 O PHE A 38 3.031 -3.586 -5.538 1.00 0.00 O ATOM 531 CB PHE A 38 2.140 -2.536 -2.376 1.00 0.00 C ATOM 532 CG PHE A 38 0.955 -1.871 -3.016 1.00 0.00 C ATOM 533 CD1 PHE A 38 -0.012 -2.623 -3.664 1.00 0.00 C ATOM 534 CD2 PHE A 38 0.810 -0.493 -2.971 1.00 0.00 C ATOM 535 CE1 PHE A 38 -1.103 -2.013 -4.255 1.00 0.00 C ATOM 536 CE2 PHE A 38 -0.279 0.121 -3.561 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.237 -0.639 -4.202 1.00 0.00 C ATOM 0 H PHE A 38 2.957 -1.206 -4.735 1.00 0.00 H new ATOM 0 HA PHE A 38 4.209 -2.993 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.839 -3.514 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.455 -1.948 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.088 -3.697 -3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.555 0.107 -2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.850 -2.610 -4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.380 1.195 -3.521 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.089 -0.160 -4.661 1.00 0.00 H new ATOM 547 N ASN A 39 2.789 -5.020 -3.822 1.00 0.00 N ATOM 548 CA ASN A 39 2.495 -6.164 -4.677 1.00 0.00 C ATOM 549 C ASN A 39 1.119 -6.743 -4.357 1.00 0.00 C ATOM 550 O ASN A 39 0.590 -6.547 -3.262 1.00 0.00 O ATOM 551 CB ASN A 39 3.566 -7.244 -4.506 1.00 0.00 C ATOM 552 CG ASN A 39 4.926 -6.792 -4.999 1.00 0.00 C ATOM 553 OD1 ASN A 39 5.071 -6.354 -6.141 1.00 0.00 O ATOM 554 ND2 ASN A 39 5.932 -6.895 -4.138 1.00 0.00 N ATOM 0 H ASN A 39 2.787 -5.228 -2.823 1.00 0.00 H new ATOM 0 HA ASN A 39 2.495 -5.822 -5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.637 -7.518 -3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.265 -8.140 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.870 -6.605 -4.413 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.766 -7.264 -3.202 1.00 0.00 H new ATOM 561 N LYS A 40 0.546 -7.457 -5.320 1.00 0.00 N ATOM 562 CA LYS A 40 -0.767 -8.065 -5.142 1.00 0.00 C ATOM 563 C LYS A 40 -0.735 -9.115 -4.036 1.00 0.00 C ATOM 564 O LYS A 40 0.273 -9.784 -3.812 1.00 0.00 O ATOM 565 CB LYS A 40 -1.238 -8.703 -6.452 1.00 0.00 C ATOM 566 CG LYS A 40 -1.125 -7.779 -7.653 1.00 0.00 C ATOM 567 CD LYS A 40 -2.389 -6.957 -7.844 1.00 0.00 C ATOM 568 CE LYS A 40 -3.422 -7.708 -8.672 1.00 0.00 C ATOM 569 NZ LYS A 40 -4.788 -7.143 -8.497 1.00 0.00 N ATOM 0 H LYS A 40 0.970 -7.629 -6.232 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.467 -7.281 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.652 -9.603 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.276 -9.016 -6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.273 -7.112 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.934 -8.368 -8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.812 -6.707 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.142 -6.016 -8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.144 -7.666 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.424 -8.759 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.485 -7.777 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.997 -7.049 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.837 -6.208 -8.949 1.00 0.00 H new ATOM 583 N PRO A 41 -1.865 -9.264 -3.329 1.00 0.00 N ATOM 584 CA PRO A 41 -1.991 -10.233 -2.235 1.00 0.00 C ATOM 585 C PRO A 41 -1.998 -11.673 -2.735 1.00 0.00 C ATOM 586 O PRO A 41 -2.475 -11.957 -3.834 1.00 0.00 O ATOM 587 CB PRO A 41 -3.341 -9.880 -1.603 1.00 0.00 C ATOM 588 CG PRO A 41 -4.114 -9.231 -2.698 1.00 0.00 C ATOM 589 CD PRO A 41 -3.105 -8.500 -3.541 1.00 0.00 C ATOM 0 HA PRO A 41 -1.152 -10.177 -1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.850 -10.770 -1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.217 -9.208 -0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.652 -9.973 -3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.858 -8.543 -2.296 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.394 -8.487 -4.592 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.996 -7.462 -3.227 1.00 0.00 H new ATOM 652 N VAL A 47 -13.119 -13.915 -4.928 1.00 0.00 N ATOM 653 CA VAL A 47 -13.366 -12.962 -6.004 1.00 0.00 C ATOM 654 C VAL A 47 -12.181 -12.019 -6.184 1.00 0.00 C ATOM 655 O VAL A 47 -11.408 -11.770 -5.259 1.00 0.00 O ATOM 656 CB VAL A 47 -14.633 -12.129 -5.736 1.00 0.00 C ATOM 657 CG1 VAL A 47 -15.882 -12.957 -6.001 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.630 -11.597 -4.311 1.00 0.00 C ATOM 0 HA VAL A 47 -13.508 -13.543 -6.915 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.638 -11.278 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.768 -12.352 -5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.888 -13.285 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.887 -13.828 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.533 -11.011 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.601 -12.432 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.754 -10.966 -4.160 1.00 0.00 H new ATOM 668 N PRO A 48 -12.034 -11.482 -7.404 1.00 0.00 N ATOM 669 CA PRO A 48 -10.945 -10.557 -7.735 1.00 0.00 C ATOM 670 C PRO A 48 -11.107 -9.203 -7.051 1.00 0.00 C ATOM 671 O PRO A 48 -12.225 -8.753 -6.800 1.00 0.00 O ATOM 672 CB PRO A 48 -11.059 -10.404 -9.253 1.00 0.00 C ATOM 673 CG PRO A 48 -12.487 -10.702 -9.558 1.00 0.00 C ATOM 674 CD PRO A 48 -12.918 -11.734 -8.554 1.00 0.00 C ATOM 0 HA PRO A 48 -9.977 -10.931 -7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.788 -9.397 -9.571 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.392 -11.092 -9.771 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.098 -9.803 -9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.599 -11.077 -10.575 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.968 -11.620 -8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.796 -12.746 -8.940 1.00 0.00 H new ATOM 682 N ILE A 49 -9.984 -8.560 -6.751 1.00 0.00 N ATOM 683 CA ILE A 49 -10.000 -7.258 -6.097 1.00 0.00 C ATOM 684 C ILE A 49 -10.512 -6.175 -7.041 1.00 0.00 C ATOM 685 O ILE A 49 -10.208 -6.183 -8.234 1.00 0.00 O ATOM 686 CB ILE A 49 -8.601 -6.863 -5.590 1.00 0.00 C ATOM 687 CG1 ILE A 49 -8.145 -7.819 -4.487 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.605 -5.427 -5.086 1.00 0.00 C ATOM 689 CD1 ILE A 49 -6.642 -7.943 -4.376 1.00 0.00 C ATOM 0 H ILE A 49 -9.051 -8.920 -6.951 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.674 -7.342 -5.245 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.898 -6.934 -6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.544 -7.476 -3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.570 -8.805 -4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.609 -5.163 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.890 -4.757 -5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.319 -5.330 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.392 -8.637 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.237 -8.316 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.211 -6.966 -4.158 1.00 0.00 H new ATOM 701 N HIS A 50 -11.290 -5.243 -6.499 1.00 0.00 N ATOM 702 CA HIS A 50 -11.841 -4.151 -7.292 1.00 0.00 C ATOM 703 C HIS A 50 -10.907 -2.943 -7.280 1.00 0.00 C ATOM 704 O HIS A 50 -10.552 -2.409 -8.330 1.00 0.00 O ATOM 705 CB HIS A 50 -13.219 -3.751 -6.762 1.00 0.00 C ATOM 706 CG HIS A 50 -14.043 -2.986 -7.751 1.00 0.00 C ATOM 707 ND1 HIS A 50 -14.166 -1.612 -7.725 1.00 0.00 N ATOM 708 CD2 HIS A 50 -14.786 -3.409 -8.800 1.00 0.00 C ATOM 709 CE1 HIS A 50 -14.951 -1.224 -8.714 1.00 0.00 C ATOM 710 NE2 HIS A 50 -15.340 -2.296 -9.382 1.00 0.00 N ATOM 0 H HIS A 50 -11.553 -5.223 -5.514 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.943 -4.498 -8.320 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.761 -4.650 -6.468 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.092 -3.147 -5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.918 -4.432 -9.120 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.228 -0.204 -8.938 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.952 -2.296 -10.198 1.00 0.00 H new ATOM 719 N HIS A 51 -10.515 -2.519 -6.083 1.00 0.00 N ATOM 720 CA HIS A 51 -9.623 -1.374 -5.932 1.00 0.00 C ATOM 721 C HIS A 51 -8.888 -1.430 -4.597 1.00 0.00 C ATOM 722 O HIS A 51 -9.228 -2.227 -3.722 1.00 0.00 O ATOM 723 CB HIS A 51 -10.412 -0.069 -6.040 1.00 0.00 C ATOM 724 CG HIS A 51 -11.293 0.197 -4.858 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.443 -0.518 -4.600 1.00 0.00 N ATOM 726 CD2 HIS A 51 -11.184 1.106 -3.860 1.00 0.00 C ATOM 727 CE1 HIS A 51 -13.006 -0.059 -3.496 1.00 0.00 C ATOM 728 NE2 HIS A 51 -12.262 0.926 -3.027 1.00 0.00 N ATOM 0 H HIS A 51 -10.800 -2.950 -5.204 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.885 -1.411 -6.734 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.714 0.760 -6.156 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -11.025 -0.098 -6.941 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -10.397 1.836 -3.741 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.919 -0.427 -3.053 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.456 1.466 -2.183 1.00 0.00 H new ATOM 737 N TYR A 52 -7.878 -0.580 -4.447 1.00 0.00 N ATOM 738 CA TYR A 52 -7.093 -0.536 -3.220 1.00 0.00 C ATOM 739 C TYR A 52 -7.467 0.680 -2.377 1.00 0.00 C ATOM 740 O TYR A 52 -7.625 1.784 -2.897 1.00 0.00 O ATOM 741 CB TYR A 52 -5.599 -0.502 -3.546 1.00 0.00 C ATOM 742 CG TYR A 52 -5.035 -1.848 -3.943 1.00 0.00 C ATOM 743 CD1 TYR A 52 -4.790 -2.829 -2.989 1.00 0.00 C ATOM 744 CD2 TYR A 52 -4.747 -2.139 -5.271 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.274 -4.060 -3.347 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.233 -3.367 -5.638 1.00 0.00 C ATOM 747 CZ TYR A 52 -3.999 -4.325 -4.672 1.00 0.00 C ATOM 748 OH TYR A 52 -3.485 -5.549 -5.034 1.00 0.00 O ATOM 0 H TYR A 52 -7.584 0.088 -5.160 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.313 -1.436 -2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.428 0.207 -4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.055 -0.131 -2.678 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.007 -2.626 -1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.928 -1.392 -6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.087 -4.810 -2.593 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.015 -3.577 -6.675 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.220 -6.167 -5.232 1.00 0.00 H new ATOM 758 N GLN A 53 -7.607 0.467 -1.073 1.00 0.00 N ATOM 759 CA GLN A 53 -7.964 1.544 -0.157 1.00 0.00 C ATOM 760 C GLN A 53 -6.771 1.944 0.704 1.00 0.00 C ATOM 761 O GLN A 53 -6.415 1.243 1.653 1.00 0.00 O ATOM 762 CB GLN A 53 -9.132 1.119 0.735 1.00 0.00 C ATOM 763 CG GLN A 53 -9.818 2.281 1.433 1.00 0.00 C ATOM 764 CD GLN A 53 -9.202 2.597 2.782 1.00 0.00 C ATOM 765 OE1 GLN A 53 -8.031 2.970 2.870 1.00 0.00 O ATOM 766 NE2 GLN A 53 -9.988 2.450 3.842 1.00 0.00 N ATOM 0 H GLN A 53 -7.479 -0.441 -0.627 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.266 2.406 -0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.865 0.586 0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.768 0.418 1.486 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.764 3.165 0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.874 2.048 1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.952 2.139 3.723 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.628 2.648 4.775 1.00 0.00 H new ATOM 775 N VAL A 54 -6.156 3.073 0.368 1.00 0.00 N ATOM 776 CA VAL A 54 -5.002 3.566 1.112 1.00 0.00 C ATOM 777 C VAL A 54 -5.392 4.720 2.029 1.00 0.00 C ATOM 778 O VAL A 54 -6.113 5.632 1.623 1.00 0.00 O ATOM 779 CB VAL A 54 -3.882 4.033 0.164 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.648 4.441 0.955 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.544 2.942 -0.840 1.00 0.00 C ATOM 0 H VAL A 54 -6.437 3.664 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.635 2.735 1.715 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.236 4.905 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.867 4.768 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.902 5.258 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.289 3.590 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.751 3.290 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.210 2.050 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.429 2.703 -1.429 1.00 0.00 H new ATOM 791 N ASP A 55 -4.910 4.675 3.266 1.00 0.00 N ATOM 792 CA ASP A 55 -5.205 5.718 4.240 1.00 0.00 C ATOM 793 C ASP A 55 -3.920 6.312 4.807 1.00 0.00 C ATOM 794 O ASP A 55 -3.093 5.602 5.377 1.00 0.00 O ATOM 795 CB ASP A 55 -6.066 5.157 5.374 1.00 0.00 C ATOM 796 CG ASP A 55 -6.998 6.198 5.964 1.00 0.00 C ATOM 797 OD1 ASP A 55 -6.907 7.375 5.555 1.00 0.00 O ATOM 798 OD2 ASP A 55 -7.817 5.835 6.833 1.00 0.00 O ATOM 0 H ASP A 55 -4.313 3.927 3.618 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.756 6.510 3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.653 4.319 5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.418 4.767 6.159 1.00 0.00 H new ATOM 803 N VAL A 56 -3.760 7.622 4.645 1.00 0.00 N ATOM 804 CA VAL A 56 -2.575 8.314 5.141 1.00 0.00 C ATOM 805 C VAL A 56 -2.958 9.522 5.987 1.00 0.00 C ATOM 806 O VAL A 56 -4.005 10.136 5.777 1.00 0.00 O ATOM 807 CB VAL A 56 -1.671 8.777 3.984 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.323 9.919 3.219 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.303 9.189 4.508 1.00 0.00 C ATOM 0 H VAL A 56 -4.435 8.225 4.175 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.027 7.602 5.758 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.536 7.942 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.669 10.232 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.277 9.585 2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.491 10.759 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.323 9.513 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.417 10.009 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.167 8.341 5.006 1.00 0.00 H new ATOM 819 N LYS A 57 -2.103 9.861 6.947 1.00 0.00 N ATOM 820 CA LYS A 57 -2.349 10.998 7.826 1.00 0.00 C ATOM 821 C LYS A 57 -1.123 11.299 8.682 1.00 0.00 C ATOM 822 O LYS A 57 -0.174 10.517 8.718 1.00 0.00 O ATOM 823 CB LYS A 57 -3.557 10.723 8.724 1.00 0.00 C ATOM 824 CG LYS A 57 -3.195 10.073 10.048 1.00 0.00 C ATOM 825 CD LYS A 57 -4.386 10.025 10.990 1.00 0.00 C ATOM 826 CE LYS A 57 -4.022 9.376 12.316 1.00 0.00 C ATOM 827 NZ LYS A 57 -5.184 9.326 13.246 1.00 0.00 N ATOM 0 H LYS A 57 -1.233 9.364 7.136 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.558 11.868 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.075 11.662 8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.256 10.078 8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.830 9.062 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.382 10.628 10.516 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.752 11.036 11.167 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.199 9.469 10.523 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.656 8.365 12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.208 9.932 12.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.986 8.652 14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.347 10.271 13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.031 9.020 12.727 1.00 0.00 H new ATOM 841 N GLU A 58 -1.153 12.435 9.372 1.00 0.00 N ATOM 842 CA GLU A 58 -0.043 12.837 10.229 1.00 0.00 C ATOM 843 C GLU A 58 -0.070 12.071 11.549 1.00 0.00 C ATOM 844 O GLU A 58 -1.133 11.846 12.127 1.00 0.00 O ATOM 845 CB GLU A 58 -0.098 14.342 10.499 1.00 0.00 C ATOM 846 CG GLU A 58 0.682 15.170 9.491 1.00 0.00 C ATOM 847 CD GLU A 58 0.460 16.659 9.663 1.00 0.00 C ATOM 848 OE1 GLU A 58 0.151 17.086 10.796 1.00 0.00 O ATOM 849 OE2 GLU A 58 0.595 17.400 8.666 1.00 0.00 O ATOM 0 H GLU A 58 -1.933 13.093 9.355 1.00 0.00 H new ATOM 0 HA GLU A 58 0.887 12.602 9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.139 14.666 10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.293 14.538 11.498 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.745 14.951 9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.390 14.877 8.482 1.00 0.00 H new ATOM 856 N VAL A 59 1.107 11.672 12.018 1.00 0.00 N ATOM 857 CA VAL A 59 1.220 10.932 13.269 1.00 0.00 C ATOM 858 C VAL A 59 0.614 11.716 14.428 1.00 0.00 C ATOM 859 O VAL A 59 0.418 11.180 15.518 1.00 0.00 O ATOM 860 CB VAL A 59 2.689 10.605 13.597 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.559 11.843 13.444 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.806 10.032 15.001 1.00 0.00 C ATOM 0 H VAL A 59 1.996 11.849 11.551 1.00 0.00 H new ATOM 0 HA VAL A 59 0.669 10.001 13.137 1.00 0.00 H new ATOM 0 HB VAL A 59 3.042 9.853 12.891 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.593 11.592 13.680 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.499 12.206 12.418 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.210 12.620 14.124 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.851 9.807 15.216 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.436 10.760 15.723 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.216 9.118 15.071 1.00 0.00 H new ATOM 872 N ALA A 60 0.320 12.989 14.184 1.00 0.00 N ATOM 873 CA ALA A 60 -0.265 13.847 15.207 1.00 0.00 C ATOM 874 C ALA A 60 -1.732 14.138 14.905 1.00 0.00 C ATOM 875 O ALA A 60 -2.540 14.314 15.817 1.00 0.00 O ATOM 876 CB ALA A 60 0.520 15.145 15.320 1.00 0.00 C ATOM 0 H ALA A 60 0.477 13.449 13.287 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.214 13.321 16.160 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.072 15.776 16.088 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.553 14.923 15.590 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.499 15.667 14.364 1.00 0.00 H new ATOM 882 N SER A 61 -2.068 14.189 13.620 1.00 0.00 N ATOM 883 CA SER A 61 -3.437 14.463 13.198 1.00 0.00 C ATOM 884 C SER A 61 -4.373 13.337 13.623 1.00 0.00 C ATOM 885 O SER A 61 -3.925 12.252 13.996 1.00 0.00 O ATOM 886 CB SER A 61 -3.498 14.648 11.681 1.00 0.00 C ATOM 887 OG SER A 61 -4.839 14.714 11.229 1.00 0.00 O ATOM 0 H SER A 61 -1.411 14.044 12.853 1.00 0.00 H new ATOM 0 HA SER A 61 -3.763 15.384 13.682 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.971 15.560 11.401 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.986 13.821 11.190 1.00 0.00 H new ATOM 0 HG SER A 61 -4.851 14.834 10.256 1.00 0.00 H new ATOM 893 N GLU A 62 -5.674 13.601 13.564 1.00 0.00 N ATOM 894 CA GLU A 62 -6.673 12.610 13.943 1.00 0.00 C ATOM 895 C GLU A 62 -7.566 12.256 12.756 1.00 0.00 C ATOM 896 O GLU A 62 -8.336 11.296 12.810 1.00 0.00 O ATOM 897 CB GLU A 62 -7.527 13.131 15.100 1.00 0.00 C ATOM 898 CG GLU A 62 -8.125 12.030 15.959 1.00 0.00 C ATOM 899 CD GLU A 62 -7.183 11.564 17.051 1.00 0.00 C ATOM 900 OE1 GLU A 62 -6.003 11.292 16.741 1.00 0.00 O ATOM 901 OE2 GLU A 62 -7.622 11.472 18.216 1.00 0.00 O ATOM 0 H GLU A 62 -6.061 14.494 13.257 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.150 11.709 14.264 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.916 13.779 15.728 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.333 13.745 14.698 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.050 12.389 16.411 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.388 11.183 15.326 1.00 0.00 H new ATOM 908 N ILE A 63 -7.458 13.038 11.688 1.00 0.00 N ATOM 909 CA ILE A 63 -8.254 12.807 10.490 1.00 0.00 C ATOM 910 C ILE A 63 -7.479 11.986 9.464 1.00 0.00 C ATOM 911 O ILE A 63 -6.435 12.412 8.974 1.00 0.00 O ATOM 912 CB ILE A 63 -8.692 14.134 9.840 1.00 0.00 C ATOM 913 CG1 ILE A 63 -9.462 14.990 10.849 1.00 0.00 C ATOM 914 CG2 ILE A 63 -9.543 13.865 8.608 1.00 0.00 C ATOM 915 CD1 ILE A 63 -9.370 16.474 10.576 1.00 0.00 C ATOM 0 H ILE A 63 -6.827 13.837 11.628 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.139 12.254 10.803 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.802 14.682 9.530 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.510 14.692 10.841 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.081 14.789 11.850 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.845 14.812 8.160 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.965 13.290 7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.430 13.301 8.895 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.939 17.019 11.330 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.326 16.787 10.613 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.778 16.688 9.588 1.00 0.00 H new ATOM 927 N TRP A 64 -8.000 10.806 9.146 1.00 0.00 N ATOM 928 CA TRP A 64 -7.358 9.924 8.178 1.00 0.00 C ATOM 929 C TRP A 64 -7.799 10.261 6.758 1.00 0.00 C ATOM 930 O TRP A 64 -8.989 10.440 6.492 1.00 0.00 O ATOM 931 CB TRP A 64 -7.685 8.463 8.493 1.00 0.00 C ATOM 932 CG TRP A 64 -6.892 7.912 9.639 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.187 8.023 10.968 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.673 7.165 9.558 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.226 7.389 11.718 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.286 6.854 10.876 1.00 0.00 C ATOM 937 CE3 TRP A 64 -4.873 6.725 8.500 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.134 6.127 11.162 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.730 6.004 8.785 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.368 5.710 10.107 1.00 0.00 C ATOM 0 H TRP A 64 -8.864 10.438 9.544 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.280 10.072 8.249 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.747 8.377 8.721 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.499 7.857 7.606 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.049 8.534 11.370 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.214 7.327 12.736 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.144 6.945 7.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.854 5.900 12.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.104 5.661 7.975 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.468 5.144 10.297 1.00 0.00 H new ATOM 951 N LYS A 65 -6.835 10.348 5.847 1.00 0.00 N ATOM 952 CA LYS A 65 -7.124 10.662 4.453 1.00 0.00 C ATOM 953 C LYS A 65 -7.134 9.397 3.601 1.00 0.00 C ATOM 954 O LYS A 65 -6.153 8.654 3.565 1.00 0.00 O ATOM 955 CB LYS A 65 -6.090 11.650 3.907 1.00 0.00 C ATOM 956 CG LYS A 65 -6.314 13.080 4.369 1.00 0.00 C ATOM 957 CD LYS A 65 -7.238 13.832 3.426 1.00 0.00 C ATOM 958 CE LYS A 65 -6.961 15.327 3.449 1.00 0.00 C ATOM 959 NZ LYS A 65 -7.477 16.005 2.228 1.00 0.00 N ATOM 0 H LYS A 65 -5.846 10.205 6.050 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.113 11.118 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.095 11.329 4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.112 11.621 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.741 13.077 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.357 13.597 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.111 13.453 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.275 13.649 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.423 15.768 4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.887 15.496 3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.269 17.023 2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.018 15.601 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.505 15.865 2.162 1.00 0.00 H new ATOM 973 N ILE A 66 -8.247 9.160 2.915 1.00 0.00 N ATOM 974 CA ILE A 66 -8.382 7.985 2.062 1.00 0.00 C ATOM 975 C ILE A 66 -8.092 8.330 0.605 1.00 0.00 C ATOM 976 O ILE A 66 -8.574 9.337 0.086 1.00 0.00 O ATOM 977 CB ILE A 66 -9.793 7.376 2.163 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.088 6.953 3.603 1.00 0.00 C ATOM 979 CG2 ILE A 66 -9.926 6.189 1.219 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.284 5.755 4.059 1.00 0.00 C ATOM 0 H ILE A 66 -9.068 9.765 2.933 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.654 7.253 2.412 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.521 8.133 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.884 7.792 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.150 6.724 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.928 5.769 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.754 6.518 0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.191 5.429 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.545 5.512 5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.506 4.902 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.221 5.986 3.999 1.00 0.00 H new ATOM 992 N VAL A 67 -7.303 7.486 -0.051 1.00 0.00 N ATOM 993 CA VAL A 67 -6.950 7.698 -1.450 1.00 0.00 C ATOM 994 C VAL A 67 -6.915 6.379 -2.214 1.00 0.00 C ATOM 995 O VAL A 67 -5.981 5.590 -2.069 1.00 0.00 O ATOM 996 CB VAL A 67 -5.584 8.393 -1.585 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.195 8.529 -3.049 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.609 9.753 -0.904 1.00 0.00 C ATOM 0 H VAL A 67 -6.896 6.648 0.364 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.720 8.341 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.833 7.777 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.226 9.023 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.134 7.540 -3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.946 9.122 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.635 10.231 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.372 10.378 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.838 9.626 0.154 1.00 0.00 H new ATOM 1008 N ARG A 68 -7.939 6.146 -3.029 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.026 4.922 -3.816 1.00 0.00 C ATOM 1010 C ARG A 68 -7.467 5.137 -5.220 1.00 0.00 C ATOM 1011 O ARG A 68 -7.456 6.258 -5.729 1.00 0.00 O ATOM 1012 CB ARG A 68 -9.477 4.446 -3.902 1.00 0.00 C ATOM 1013 CG ARG A 68 -10.421 5.477 -4.500 1.00 0.00 C ATOM 1014 CD ARG A 68 -11.872 5.034 -4.388 1.00 0.00 C ATOM 1015 NE ARG A 68 -12.431 5.321 -3.070 1.00 0.00 N ATOM 1016 CZ ARG A 68 -13.735 5.357 -2.817 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -14.608 5.126 -3.787 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -14.167 5.625 -1.591 1.00 0.00 N ATOM 0 H ARG A 68 -8.720 6.789 -3.161 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.429 4.158 -3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.518 3.537 -4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.825 4.184 -2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.290 6.431 -3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.169 5.639 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.465 5.538 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.941 3.964 -4.586 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.785 5.504 -2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.279 4.920 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.608 5.154 -3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.498 5.804 -0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.168 5.652 -1.398 1.00 0.00 H new ATOM 1032 N SER A 69 -7.002 4.057 -5.839 1.00 0.00 N ATOM 1033 CA SER A 69 -6.438 4.127 -7.181 1.00 0.00 C ATOM 1034 C SER A 69 -7.519 3.913 -8.237 1.00 0.00 C ATOM 1035 O SER A 69 -8.506 3.217 -7.999 1.00 0.00 O ATOM 1036 CB SER A 69 -5.331 3.084 -7.349 1.00 0.00 C ATOM 1037 OG SER A 69 -4.674 2.837 -6.118 1.00 0.00 O ATOM 0 H SER A 69 -7.005 3.122 -5.432 1.00 0.00 H new ATOM 0 HA SER A 69 -6.013 5.121 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.756 2.156 -7.731 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.608 3.431 -8.088 1.00 0.00 H new ATOM 0 HG SER A 69 -3.972 2.166 -6.251 1.00 0.00 H new ATOM 1043 N HIS A 70 -7.324 4.517 -9.405 1.00 0.00 N ATOM 1044 CA HIS A 70 -8.280 4.393 -10.499 1.00 0.00 C ATOM 1045 C HIS A 70 -8.734 2.945 -10.663 1.00 0.00 C ATOM 1046 O HIS A 70 -9.928 2.651 -10.635 1.00 0.00 O ATOM 1047 CB HIS A 70 -7.663 4.896 -11.804 1.00 0.00 C ATOM 1048 CG HIS A 70 -8.640 4.976 -12.937 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -8.806 6.106 -13.709 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -9.504 4.057 -13.427 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -9.731 5.879 -14.625 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -10.171 4.643 -14.475 1.00 0.00 N ATOM 0 H HIS A 70 -6.513 5.097 -9.618 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.150 5.004 -10.258 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.233 5.883 -11.636 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.844 4.235 -12.087 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.643 3.050 -13.062 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.070 6.584 -15.370 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.889 4.196 -15.045 1.00 0.00 H new ATOM 1061 N GLY A 71 -7.771 2.044 -10.833 1.00 0.00 N ATOM 1062 CA GLY A 71 -8.091 0.638 -11.000 1.00 0.00 C ATOM 1063 C GLY A 71 -7.450 -0.232 -9.937 1.00 0.00 C ATOM 1064 O GLY A 71 -7.467 0.106 -8.753 1.00 0.00 O ATOM 0 H GLY A 71 -6.775 2.263 -10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.173 0.508 -10.968 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.760 0.307 -11.984 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.883 -1.358 -10.359 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.234 -2.280 -9.434 1.00 0.00 C ATOM 1070 C VAL A 72 -4.728 -2.044 -9.390 1.00 0.00 C ATOM 1071 O VAL A 72 -3.965 -2.920 -8.985 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.501 -3.746 -9.825 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -7.987 -4.059 -9.740 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -5.967 -4.032 -11.220 1.00 0.00 C ATOM 0 H VAL A 72 -6.860 -1.654 -11.335 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.658 -2.091 -8.448 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.977 -4.392 -9.121 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.156 -5.099 -10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.335 -3.896 -8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.536 -3.407 -10.419 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.165 -5.072 -11.479 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.461 -3.379 -11.940 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.892 -3.850 -11.243 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.309 -0.855 -9.808 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.894 -0.503 -9.815 1.00 0.00 C ATOM 1086 C GLN A 73 -2.212 -0.967 -8.533 1.00 0.00 C ATOM 1087 O GLN A 73 -2.873 -1.331 -7.560 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.723 1.008 -9.980 1.00 0.00 C ATOM 1089 CG GLN A 73 -2.673 1.460 -11.431 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.978 1.215 -12.163 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -4.291 0.085 -12.536 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -4.747 2.278 -12.373 1.00 0.00 N ATOM 0 H GLN A 73 -4.929 -0.119 -10.146 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.424 -1.008 -10.659 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.547 1.515 -9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.806 1.318 -9.480 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.433 2.523 -11.469 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.868 0.934 -11.944 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.448 3.197 -12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.637 2.175 -12.861 1.00 0.00 H new ATOM 1101 N THR A 74 -0.882 -0.953 -8.537 1.00 0.00 N ATOM 1102 CA THR A 74 -0.109 -1.374 -7.375 1.00 0.00 C ATOM 1103 C THR A 74 0.793 -0.250 -6.879 1.00 0.00 C ATOM 1104 O THR A 74 1.435 -0.373 -5.836 1.00 0.00 O ATOM 1105 CB THR A 74 0.755 -2.609 -7.693 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.623 -2.329 -8.797 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.117 -3.811 -8.020 1.00 0.00 C ATOM 0 H THR A 74 -0.318 -0.654 -9.333 1.00 0.00 H new ATOM 0 HA THR A 74 -0.825 -1.632 -6.595 1.00 0.00 H new ATOM 0 HB THR A 74 1.352 -2.843 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.170 -3.119 -8.992 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.516 -4.670 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.755 -4.040 -7.167 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.738 -3.585 -8.887 1.00 0.00 H new ATOM 1115 N MET A 75 0.837 0.844 -7.631 1.00 0.00 N ATOM 1116 CA MET A 75 1.660 1.991 -7.266 1.00 0.00 C ATOM 1117 C MET A 75 0.868 3.289 -7.387 1.00 0.00 C ATOM 1118 O MET A 75 0.287 3.578 -8.434 1.00 0.00 O ATOM 1119 CB MET A 75 2.905 2.055 -8.151 1.00 0.00 C ATOM 1120 CG MET A 75 4.075 2.779 -7.503 1.00 0.00 C ATOM 1121 SD MET A 75 5.589 2.659 -8.474 1.00 0.00 S ATOM 1122 CE MET A 75 5.125 3.578 -9.940 1.00 0.00 C ATOM 0 H MET A 75 0.312 0.961 -8.498 1.00 0.00 H new ATOM 0 HA MET A 75 1.968 1.870 -6.227 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.212 1.041 -8.406 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.651 2.555 -9.085 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.817 3.829 -7.367 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.250 2.363 -6.511 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.023 3.900 -10.467 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.528 2.942 -10.594 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.541 4.452 -9.652 1.00 0.00 H new ATOM 1132 N VAL A 76 0.848 4.069 -6.311 1.00 0.00 N ATOM 1133 CA VAL A 76 0.129 5.336 -6.298 1.00 0.00 C ATOM 1134 C VAL A 76 0.944 6.424 -5.608 1.00 0.00 C ATOM 1135 O VAL A 76 1.664 6.159 -4.645 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.232 5.202 -5.588 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -1.776 6.572 -5.213 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.219 4.451 -6.469 1.00 0.00 C ATOM 0 H VAL A 76 1.322 3.845 -5.436 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.038 5.615 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.090 4.631 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.738 6.457 -4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.076 7.071 -4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.905 7.171 -6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.175 4.365 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.359 4.994 -7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.831 3.455 -6.683 1.00 0.00 H new ATOM 1148 N VAL A 77 0.827 7.650 -6.107 1.00 0.00 N ATOM 1149 CA VAL A 77 1.551 8.780 -5.537 1.00 0.00 C ATOM 1150 C VAL A 77 0.628 9.663 -4.705 1.00 0.00 C ATOM 1151 O VAL A 77 -0.435 10.079 -5.168 1.00 0.00 O ATOM 1152 CB VAL A 77 2.209 9.637 -6.636 1.00 0.00 C ATOM 1153 CG1 VAL A 77 1.154 10.406 -7.417 1.00 0.00 C ATOM 1154 CG2 VAL A 77 3.233 10.584 -6.031 1.00 0.00 C ATOM 0 H VAL A 77 0.237 7.886 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 77 2.328 8.365 -4.895 1.00 0.00 H new ATOM 0 HB VAL A 77 2.727 8.974 -7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.637 11.005 -8.188 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.463 9.704 -7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.605 11.060 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.688 11.181 -6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.741 11.243 -5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.005 10.008 -5.522 1.00 0.00 H new ATOM 1164 N LEU A 78 1.040 9.944 -3.474 1.00 0.00 N ATOM 1165 CA LEU A 78 0.250 10.779 -2.575 1.00 0.00 C ATOM 1166 C LEU A 78 0.632 12.249 -2.721 1.00 0.00 C ATOM 1167 O LEU A 78 1.769 12.574 -3.058 1.00 0.00 O ATOM 1168 CB LEU A 78 0.446 10.330 -1.127 1.00 0.00 C ATOM 1169 CG LEU A 78 -0.023 8.913 -0.794 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.308 8.566 0.649 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.516 8.770 -1.050 1.00 0.00 C ATOM 0 H LEU A 78 1.916 9.606 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.800 10.668 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.506 10.407 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.081 11.028 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 78 0.505 8.215 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.033 7.554 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.386 8.626 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.191 9.269 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.831 7.755 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.062 9.478 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.726 8.974 -2.100 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.327 13.133 -2.461 1.00 0.00 N ATOM 1184 CA ASN A 79 -0.090 14.568 -2.561 1.00 0.00 C ATOM 1185 C ASN A 79 -0.735 15.308 -1.393 1.00 0.00 C ATOM 1186 O ASN A 79 -1.304 14.692 -0.494 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.638 15.106 -3.885 1.00 0.00 C ATOM 1188 CG ASN A 79 -1.853 14.334 -4.362 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -2.022 14.100 -5.560 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -2.707 13.935 -3.427 1.00 0.00 N ATOM 0 H ASN A 79 -1.274 12.880 -2.180 1.00 0.00 H new ATOM 0 HA ASN A 79 0.986 14.737 -2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.902 16.157 -3.766 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.142 15.057 -4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.543 13.412 -3.689 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.527 14.151 -2.446 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.641 16.634 -1.415 1.00 0.00 N ATOM 1198 CA ASN A 80 -1.215 17.459 -0.358 1.00 0.00 C ATOM 1199 C ASN A 80 -0.577 17.135 0.991 1.00 0.00 C ATOM 1200 O ASN A 80 -1.264 17.054 2.010 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.728 17.248 -0.284 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.448 17.791 -1.502 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -3.483 19.001 -1.728 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -4.028 16.898 -2.294 1.00 0.00 N ATOM 0 H ASN A 80 -0.173 17.160 -2.153 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.012 18.504 -0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.939 16.183 -0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.116 17.734 0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.528 17.205 -3.128 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.974 15.905 -2.068 1.00 0.00 H new ATOM 1211 N LEU A 81 0.737 16.951 0.989 1.00 0.00 N ATOM 1212 CA LEU A 81 1.469 16.637 2.211 1.00 0.00 C ATOM 1213 C LEU A 81 2.487 17.726 2.532 1.00 0.00 C ATOM 1214 O LEU A 81 2.991 18.401 1.634 1.00 0.00 O ATOM 1215 CB LEU A 81 2.175 15.288 2.075 1.00 0.00 C ATOM 1216 CG LEU A 81 1.398 14.196 1.338 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.334 13.080 0.897 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.287 13.644 2.220 1.00 0.00 C ATOM 0 H LEU A 81 1.319 17.014 0.154 1.00 0.00 H new ATOM 0 HA LEU A 81 0.752 16.583 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.121 15.446 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.416 14.924 3.074 1.00 0.00 H new ATOM 0 HG LEU A 81 0.945 14.636 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.764 12.312 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.094 13.485 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.816 12.642 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.255 12.868 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.719 13.220 3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.399 14.448 2.486 1.00 0.00 H new ATOM 1230 N GLU A 82 2.787 17.890 3.817 1.00 0.00 N ATOM 1231 CA GLU A 82 3.746 18.898 4.254 1.00 0.00 C ATOM 1232 C GLU A 82 5.149 18.304 4.354 1.00 0.00 C ATOM 1233 O GLU A 82 5.336 17.150 4.742 1.00 0.00 O ATOM 1234 CB GLU A 82 3.329 19.479 5.606 1.00 0.00 C ATOM 1235 CG GLU A 82 1.909 20.022 5.623 1.00 0.00 C ATOM 1236 CD GLU A 82 1.549 20.673 6.944 1.00 0.00 C ATOM 1237 OE1 GLU A 82 2.404 21.392 7.504 1.00 0.00 O ATOM 1238 OE2 GLU A 82 0.412 20.466 7.417 1.00 0.00 O ATOM 0 H GLU A 82 2.380 17.338 4.573 1.00 0.00 H new ATOM 0 HA GLU A 82 3.759 19.697 3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.423 18.706 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.018 20.279 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.793 20.750 4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.211 19.210 5.420 1.00 0.00 H new ATOM 1245 N PRO A 83 6.159 19.111 3.998 1.00 0.00 N ATOM 1246 CA PRO A 83 7.562 18.688 4.039 1.00 0.00 C ATOM 1247 C PRO A 83 8.075 18.517 5.465 1.00 0.00 C ATOM 1248 O PRO A 83 7.467 19.007 6.416 1.00 0.00 O ATOM 1249 CB PRO A 83 8.299 19.834 3.341 1.00 0.00 C ATOM 1250 CG PRO A 83 7.419 21.021 3.531 1.00 0.00 C ATOM 1251 CD PRO A 83 6.010 20.498 3.526 1.00 0.00 C ATOM 0 HA PRO A 83 7.708 17.717 3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.284 19.997 3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.452 19.620 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.644 21.527 4.470 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.568 21.749 2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.363 21.079 4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.570 20.538 2.530 1.00 0.00 H new ATOM 1259 N ASN A 84 9.195 17.817 5.606 1.00 0.00 N ATOM 1260 CA ASN A 84 9.790 17.581 6.917 1.00 0.00 C ATOM 1261 C ASN A 84 8.740 17.086 7.908 1.00 0.00 C ATOM 1262 O ASN A 84 8.789 17.411 9.095 1.00 0.00 O ATOM 1263 CB ASN A 84 10.441 18.862 7.443 1.00 0.00 C ATOM 1264 CG ASN A 84 9.707 20.110 6.993 1.00 0.00 C ATOM 1265 OD1 ASN A 84 8.811 20.599 7.680 1.00 0.00 O ATOM 1266 ND2 ASN A 84 10.086 20.632 5.831 1.00 0.00 N ATOM 0 H ASN A 84 9.710 17.403 4.829 1.00 0.00 H new ATOM 0 HA ASN A 84 10.555 16.812 6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.467 18.832 8.532 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.475 18.908 7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.629 21.472 5.476 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.834 20.193 5.294 1.00 0.00 H new ATOM 1273 N THR A 85 7.791 16.298 7.412 1.00 0.00 N ATOM 1274 CA THR A 85 6.729 15.758 8.254 1.00 0.00 C ATOM 1275 C THR A 85 6.586 14.253 8.059 1.00 0.00 C ATOM 1276 O THR A 85 6.974 13.710 7.025 1.00 0.00 O ATOM 1277 CB THR A 85 5.378 16.435 7.954 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.452 17.832 8.254 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.262 15.795 8.767 1.00 0.00 C ATOM 0 H THR A 85 7.736 16.019 6.432 1.00 0.00 H new ATOM 0 HA THR A 85 7.008 15.962 9.288 1.00 0.00 H new ATOM 0 HB THR A 85 5.158 16.304 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.111 18.258 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.317 16.288 8.540 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.189 14.737 8.515 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.480 15.900 9.830 1.00 0.00 H new ATOM 1287 N THR A 86 6.025 13.583 9.061 1.00 0.00 N ATOM 1288 CA THR A 86 5.831 12.140 9.001 1.00 0.00 C ATOM 1289 C THR A 86 4.355 11.790 8.856 1.00 0.00 C ATOM 1290 O THR A 86 3.489 12.458 9.423 1.00 0.00 O ATOM 1291 CB THR A 86 6.391 11.444 10.256 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.788 11.727 10.390 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.178 9.940 10.182 1.00 0.00 C ATOM 0 H THR A 86 5.697 14.017 9.924 1.00 0.00 H new ATOM 0 HA THR A 86 6.374 11.785 8.125 1.00 0.00 H new ATOM 0 HB THR A 86 5.857 11.828 11.126 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.136 11.283 11.191 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.582 9.471 11.079 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.112 9.727 10.109 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.688 9.543 9.304 1.00 0.00 H new ATOM 1301 N TYR A 87 4.073 10.738 8.094 1.00 0.00 N ATOM 1302 CA TYR A 87 2.700 10.301 7.875 1.00 0.00 C ATOM 1303 C TYR A 87 2.611 8.778 7.843 1.00 0.00 C ATOM 1304 O TYR A 87 3.470 8.108 7.272 1.00 0.00 O ATOM 1305 CB TYR A 87 2.161 10.880 6.565 1.00 0.00 C ATOM 1306 CG TYR A 87 2.390 12.367 6.422 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.656 12.872 6.150 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.341 13.269 6.558 1.00 0.00 C ATOM 1309 CE1 TYR A 87 3.870 14.231 6.020 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.546 14.628 6.427 1.00 0.00 C ATOM 1311 CZ TYR A 87 2.812 15.105 6.158 1.00 0.00 C ATOM 1312 OH TYR A 87 3.021 16.458 6.027 1.00 0.00 O ATOM 0 H TYR A 87 4.777 10.173 7.618 1.00 0.00 H new ATOM 0 HA TYR A 87 2.094 10.666 8.704 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.634 10.366 5.728 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.092 10.677 6.500 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.487 12.191 6.038 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.348 12.900 6.770 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.861 14.607 5.811 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.719 15.314 6.535 1.00 0.00 H new ATOM 0 HH TYR A 87 3.826 16.614 5.490 1.00 0.00 H new ATOM 1322 N GLU A 88 1.566 8.239 8.463 1.00 0.00 N ATOM 1323 CA GLU A 88 1.366 6.795 8.507 1.00 0.00 C ATOM 1324 C GLU A 88 0.402 6.346 7.412 1.00 0.00 C ATOM 1325 O GLU A 88 -0.744 6.792 7.358 1.00 0.00 O ATOM 1326 CB GLU A 88 0.829 6.374 9.877 1.00 0.00 C ATOM 1327 CG GLU A 88 1.481 7.107 11.038 1.00 0.00 C ATOM 1328 CD GLU A 88 0.865 6.746 12.375 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -0.229 7.263 12.682 1.00 0.00 O ATOM 1330 OE2 GLU A 88 1.477 5.948 13.115 1.00 0.00 O ATOM 0 H GLU A 88 0.845 8.780 8.941 1.00 0.00 H new ATOM 0 HA GLU A 88 2.330 6.315 8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.246 6.549 9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.981 5.302 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.546 6.874 11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.393 8.182 10.880 1.00 0.00 H new ATOM 1337 N ILE A 89 0.877 5.462 6.541 1.00 0.00 N ATOM 1338 CA ILE A 89 0.059 4.953 5.448 1.00 0.00 C ATOM 1339 C ILE A 89 -0.150 3.447 5.573 1.00 0.00 C ATOM 1340 O ILE A 89 0.713 2.730 6.080 1.00 0.00 O ATOM 1341 CB ILE A 89 0.694 5.260 4.079 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.196 4.266 3.027 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.212 5.218 4.178 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.547 4.659 1.609 1.00 0.00 C ATOM 0 H ILE A 89 1.824 5.084 6.571 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.905 5.458 5.513 1.00 0.00 H new ATOM 0 HB ILE A 89 0.397 6.263 3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.619 3.284 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.887 4.172 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.646 5.437 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.550 5.961 4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.528 4.226 4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.163 3.909 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.101 5.627 1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.630 4.725 1.507 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.301 2.974 5.105 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.623 1.553 5.165 1.00 0.00 C ATOM 1358 C ARG A 90 -2.321 1.101 3.885 1.00 0.00 C ATOM 1359 O ARG A 90 -3.234 1.766 3.394 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.511 1.260 6.374 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.789 2.083 6.406 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.590 1.819 7.671 1.00 0.00 C ATOM 1363 NE ARG A 90 -5.985 2.231 7.531 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.895 2.079 8.486 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -6.561 1.528 9.644 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -8.145 2.480 8.284 1.00 0.00 N ATOM 0 H ARG A 90 -2.025 3.553 4.681 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.690 0.998 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.771 0.201 6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.944 1.450 7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.542 3.143 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.397 1.847 5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.548 0.757 7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.136 2.353 8.506 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.276 2.659 6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.602 1.219 9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.263 1.413 10.375 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.407 2.905 7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.843 2.363 9.018 1.00 0.00 H new ATOM 1380 N VAL A 91 -1.885 -0.035 3.349 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.468 -0.577 2.128 1.00 0.00 C ATOM 1382 C VAL A 91 -3.464 -1.689 2.440 1.00 0.00 C ATOM 1383 O VAL A 91 -3.169 -2.602 3.211 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.383 -1.127 1.183 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -1.981 -1.482 -0.169 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.253 -0.119 1.029 1.00 0.00 C ATOM 0 H VAL A 91 -1.130 -0.597 3.742 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.987 0.245 1.635 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.972 -2.037 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.199 -1.869 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.752 -2.241 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.421 -0.591 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.506 -0.523 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.647 0.809 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.193 0.079 2.004 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.645 -1.605 1.836 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.684 -2.605 2.048 1.00 0.00 C ATOM 1398 C ALA A 92 -6.351 -2.991 0.732 1.00 0.00 C ATOM 1399 O ALA A 92 -6.566 -2.147 -0.137 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.720 -2.088 3.035 1.00 0.00 C ATOM 0 H ALA A 92 -4.906 -0.855 1.196 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.216 -3.497 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.490 -2.845 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.237 -1.869 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.176 -1.179 2.642 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.674 -4.272 0.591 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.317 -4.769 -0.618 1.00 0.00 C ATOM 1408 C ALA A 93 -8.822 -4.916 -0.420 1.00 0.00 C ATOM 1409 O ALA A 93 -9.274 -5.530 0.546 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.706 -6.100 -1.032 1.00 0.00 C ATOM 0 H ALA A 93 -6.501 -4.985 1.300 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.151 -4.041 -1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.196 -6.460 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.641 -5.967 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.842 -6.828 -0.232 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.593 -4.346 -1.340 1.00 0.00 N ATOM 1417 CA VAL A 94 -11.048 -4.414 -1.266 1.00 0.00 C ATOM 1418 C VAL A 94 -11.628 -5.122 -2.486 1.00 0.00 C ATOM 1419 O VAL A 94 -11.384 -4.721 -3.623 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.670 -3.008 -1.158 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -13.189 -3.094 -1.162 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -11.171 -2.301 0.093 1.00 0.00 C ATOM 0 H VAL A 94 -9.235 -3.832 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.294 -4.982 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.361 -2.425 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.610 -2.092 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.525 -3.559 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.522 -3.693 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.620 -1.310 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.449 -2.880 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.086 -2.206 0.049 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.399 -6.176 -2.239 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.014 -6.941 -3.318 1.00 0.00 C ATOM 1434 C ASN A 95 -14.536 -6.859 -3.243 1.00 0.00 C ATOM 1435 O ASN A 95 -15.091 -6.252 -2.328 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.568 -8.403 -3.254 1.00 0.00 C ATOM 1437 CG ASN A 95 -13.227 -9.160 -2.118 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -13.985 -8.588 -1.333 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -12.941 -10.453 -2.024 1.00 0.00 N ATOM 0 H ASN A 95 -12.613 -6.520 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.690 -6.510 -4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.804 -8.893 -4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.485 -8.445 -3.135 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.355 -11.014 -1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.308 -10.885 -2.696 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.205 -7.475 -4.213 1.00 0.00 N ATOM 1447 CA GLY A 96 -16.656 -7.460 -4.239 1.00 0.00 C ATOM 1448 C GLY A 96 -17.263 -7.934 -2.933 1.00 0.00 C ATOM 1449 O GLY A 96 -18.447 -7.716 -2.674 1.00 0.00 O ATOM 0 H GLY A 96 -14.768 -7.984 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.002 -6.449 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.009 -8.095 -5.052 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.452 -8.587 -2.108 1.00 0.00 N ATOM 1454 CA LYS A 97 -16.915 -9.095 -0.822 1.00 0.00 C ATOM 1455 C LYS A 97 -16.876 -8.002 0.241 1.00 0.00 C ATOM 1456 O LYS A 97 -17.831 -7.823 0.996 1.00 0.00 O ATOM 1457 CB LYS A 97 -16.056 -10.282 -0.379 1.00 0.00 C ATOM 1458 CG LYS A 97 -16.807 -11.292 0.471 1.00 0.00 C ATOM 1459 CD LYS A 97 -18.059 -11.791 -0.231 1.00 0.00 C ATOM 1460 CE LYS A 97 -17.823 -11.986 -1.721 1.00 0.00 C ATOM 1461 NZ LYS A 97 -18.765 -12.979 -2.307 1.00 0.00 N ATOM 0 H LYS A 97 -15.470 -8.777 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 97 -17.947 -9.425 -0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.662 -10.784 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.200 -9.910 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.155 -12.136 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.080 -10.836 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.376 -12.734 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.870 -11.079 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.936 -11.031 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.798 -12.317 -1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.571 -13.083 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.640 -13.897 -1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.743 -12.651 -2.173 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.767 -7.270 0.292 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.625 -6.203 1.264 1.00 0.00 C ATOM 1477 C GLY A 98 -14.210 -5.665 1.333 1.00 0.00 C ATOM 1478 O GLY A 98 -13.505 -5.629 0.326 1.00 0.00 O ATOM 0 H GLY A 98 -14.964 -7.398 -0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.307 -5.391 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.919 -6.570 2.247 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.796 -5.244 2.523 1.00 0.00 N ATOM 1483 CA GLN A 99 -12.456 -4.703 2.718 1.00 0.00 C ATOM 1484 C GLN A 99 -11.624 -5.617 3.610 1.00 0.00 C ATOM 1485 O GLN A 99 -11.920 -5.784 4.793 1.00 0.00 O ATOM 1486 CB GLN A 99 -12.533 -3.303 3.331 1.00 0.00 C ATOM 1487 CG GLN A 99 -11.178 -2.735 3.719 1.00 0.00 C ATOM 1488 CD GLN A 99 -11.219 -1.237 3.956 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -12.173 -0.715 4.535 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -10.182 -0.538 3.510 1.00 0.00 N ATOM 0 H GLN A 99 -14.369 -5.267 3.367 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.972 -4.639 1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.010 -2.629 2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.170 -3.337 4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.825 -3.232 4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.457 -2.955 2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.413 -1.012 3.036 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.154 0.473 3.642 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.581 -6.208 3.036 1.00 0.00 N ATOM 1500 CA GLY A 100 -9.721 -7.099 3.793 1.00 0.00 C ATOM 1501 C GLY A 100 -8.929 -6.371 4.861 1.00 0.00 C ATOM 1502 O GLY A 100 -8.993 -5.146 4.964 1.00 0.00 O ATOM 0 H GLY A 100 -10.316 -6.086 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.328 -7.875 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.033 -7.600 3.112 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.180 -7.125 5.657 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.371 -6.545 6.723 1.00 0.00 C ATOM 1508 C ASP A 101 -6.387 -5.522 6.163 1.00 0.00 C ATOM 1509 O ASP A 101 -5.991 -5.601 5.000 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.615 -7.641 7.474 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.541 -8.550 8.258 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -8.625 -8.886 7.736 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -7.182 -8.927 9.392 1.00 0.00 O ATOM 0 H ASP A 101 -8.116 -8.140 5.585 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.040 -6.037 7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.043 -8.236 6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.898 -7.182 8.155 1.00 0.00 H new ATOM 1518 N TYR A 102 -5.998 -4.565 6.996 1.00 0.00 N ATOM 1519 CA TYR A 102 -5.063 -3.526 6.584 1.00 0.00 C ATOM 1520 C TYR A 102 -3.620 -3.981 6.781 1.00 0.00 C ATOM 1521 O TYR A 102 -3.282 -4.585 7.799 1.00 0.00 O ATOM 1522 CB TYR A 102 -5.316 -2.239 7.372 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.592 -1.530 6.980 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -7.805 -1.862 7.568 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -6.584 -0.527 6.019 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -8.974 -1.217 7.212 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -7.747 0.126 5.657 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.939 -0.223 6.256 1.00 0.00 C ATOM 1529 OH TYR A 102 -10.100 0.423 5.898 1.00 0.00 O ATOM 0 H TYR A 102 -6.316 -4.487 7.962 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.222 -3.331 5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.354 -2.476 8.435 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.474 -1.562 7.226 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.836 -2.639 8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.652 -0.253 5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.909 -1.489 7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.722 0.905 4.909 1.00 0.00 H new ATOM 0 HH TYR A 102 -10.872 -0.111 6.180 1.00 0.00 H new ATOM 1539 N SER A 103 -2.774 -3.684 5.800 1.00 0.00 N ATOM 1540 CA SER A 103 -1.367 -4.066 5.863 1.00 0.00 C ATOM 1541 C SER A 103 -0.692 -3.449 7.085 1.00 0.00 C ATOM 1542 O SER A 103 -1.263 -2.593 7.760 1.00 0.00 O ATOM 1543 CB SER A 103 -0.642 -3.628 4.590 1.00 0.00 C ATOM 1544 OG SER A 103 0.756 -3.527 4.808 1.00 0.00 O ATOM 0 H SER A 103 -3.037 -3.181 4.953 1.00 0.00 H new ATOM 0 HA SER A 103 -1.313 -5.151 5.949 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.838 -4.344 3.792 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.032 -2.666 4.258 1.00 0.00 H new ATOM 0 HG SER A 103 1.235 -3.876 4.027 1.00 0.00 H new ATOM 1550 N LYS A 104 0.529 -3.891 7.363 1.00 0.00 N ATOM 1551 CA LYS A 104 1.287 -3.385 8.502 1.00 0.00 C ATOM 1552 C LYS A 104 1.470 -1.874 8.404 1.00 0.00 C ATOM 1553 O LYS A 104 2.197 -1.382 7.539 1.00 0.00 O ATOM 1554 CB LYS A 104 2.652 -4.072 8.579 1.00 0.00 C ATOM 1555 CG LYS A 104 3.244 -4.092 9.978 1.00 0.00 C ATOM 1556 CD LYS A 104 2.599 -5.164 10.840 1.00 0.00 C ATOM 1557 CE LYS A 104 3.060 -6.556 10.437 1.00 0.00 C ATOM 1558 NZ LYS A 104 4.535 -6.712 10.570 1.00 0.00 N ATOM 0 H LYS A 104 1.016 -4.600 6.815 1.00 0.00 H new ATOM 0 HA LYS A 104 0.725 -3.607 9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.555 -5.097 8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.344 -3.563 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.318 -4.270 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.108 -3.117 10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.845 -4.987 11.887 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.514 -5.099 10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.559 -7.298 11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.766 -6.752 9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.771 -7.721 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.003 -6.317 9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.862 -6.207 11.418 1.00 0.00 H new ATOM 1572 N ILE A 105 0.808 -1.143 9.295 1.00 0.00 N ATOM 1573 CA ILE A 105 0.902 0.311 9.310 1.00 0.00 C ATOM 1574 C ILE A 105 2.299 0.776 8.913 1.00 0.00 C ATOM 1575 O ILE A 105 3.281 0.466 9.585 1.00 0.00 O ATOM 1576 CB ILE A 105 0.557 0.883 10.698 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.888 0.545 11.068 1.00 0.00 C ATOM 1578 CG2 ILE A 105 0.776 2.389 10.719 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.913 1.223 10.187 1.00 0.00 C ATOM 0 H ILE A 105 0.201 -1.534 10.015 1.00 0.00 H new ATOM 0 HA ILE A 105 0.179 0.682 8.584 1.00 0.00 H new ATOM 0 HB ILE A 105 1.217 0.428 11.437 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.027 -0.534 11.008 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.065 0.832 12.104 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.528 2.779 11.706 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.820 2.608 10.494 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.137 2.860 9.972 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.915 0.937 10.508 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.802 2.304 10.265 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.762 0.917 9.152 1.00 0.00 H new ATOM 1591 N GLU A 106 2.377 1.526 7.817 1.00 0.00 N ATOM 1592 CA GLU A 106 3.655 2.036 7.332 1.00 0.00 C ATOM 1593 C GLU A 106 3.850 3.492 7.742 1.00 0.00 C ATOM 1594 O GLU A 106 2.887 4.248 7.867 1.00 0.00 O ATOM 1595 CB GLU A 106 3.735 1.908 5.810 1.00 0.00 C ATOM 1596 CG GLU A 106 3.736 0.470 5.319 1.00 0.00 C ATOM 1597 CD GLU A 106 4.728 -0.401 6.066 1.00 0.00 C ATOM 1598 OE1 GLU A 106 5.862 0.065 6.308 1.00 0.00 O ATOM 1599 OE2 GLU A 106 4.371 -1.547 6.409 1.00 0.00 O ATOM 0 H GLU A 106 1.573 1.793 7.250 1.00 0.00 H new ATOM 0 HA GLU A 106 4.450 1.441 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.891 2.434 5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.640 2.403 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.736 0.052 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.973 0.453 4.255 1.00 0.00 H new ATOM 1606 N ILE A 107 5.105 3.878 7.950 1.00 0.00 N ATOM 1607 CA ILE A 107 5.428 5.244 8.345 1.00 0.00 C ATOM 1608 C ILE A 107 6.563 5.807 7.499 1.00 0.00 C ATOM 1609 O ILE A 107 7.696 5.328 7.562 1.00 0.00 O ATOM 1610 CB ILE A 107 5.823 5.321 9.832 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.770 4.627 10.698 1.00 0.00 C ATOM 1612 CG2 ILE A 107 5.997 6.771 10.259 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.259 4.294 12.091 1.00 0.00 C ATOM 0 H ILE A 107 5.914 3.265 7.852 1.00 0.00 H new ATOM 0 HA ILE A 107 4.529 5.840 8.185 1.00 0.00 H new ATOM 0 HB ILE A 107 6.774 4.806 9.968 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.892 5.269 10.773 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.452 3.709 10.204 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.276 6.809 11.312 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.780 7.236 9.659 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.060 7.308 10.112 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.461 3.804 12.649 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.118 3.627 12.025 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.550 5.211 12.603 1.00 0.00 H new ATOM 1625 N PHE A 108 6.254 6.828 6.706 1.00 0.00 N ATOM 1626 CA PHE A 108 7.250 7.458 5.847 1.00 0.00 C ATOM 1627 C PHE A 108 7.350 8.954 6.138 1.00 0.00 C ATOM 1628 O PHE A 108 6.338 9.640 6.267 1.00 0.00 O ATOM 1629 CB PHE A 108 6.897 7.236 4.375 1.00 0.00 C ATOM 1630 CG PHE A 108 5.644 7.944 3.945 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.613 9.326 3.843 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.496 7.229 3.643 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.462 9.981 3.448 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.343 7.878 3.248 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.324 9.256 3.150 1.00 0.00 C ATOM 0 H PHE A 108 5.322 7.237 6.641 1.00 0.00 H new ATOM 0 HA PHE A 108 8.217 6.999 6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.727 7.575 3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.781 6.167 4.195 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.499 9.898 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.503 6.152 3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.452 11.058 3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.456 7.308 3.016 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.423 9.765 2.842 1.00 0.00 H new ATOM 1645 N GLN A 109 8.580 9.449 6.240 1.00 0.00 N ATOM 1646 CA GLN A 109 8.814 10.861 6.516 1.00 0.00 C ATOM 1647 C GLN A 109 9.233 11.601 5.250 1.00 0.00 C ATOM 1648 O GLN A 109 10.224 11.248 4.610 1.00 0.00 O ATOM 1649 CB GLN A 109 9.888 11.020 7.593 1.00 0.00 C ATOM 1650 CG GLN A 109 10.330 12.459 7.803 1.00 0.00 C ATOM 1651 CD GLN A 109 11.545 12.571 8.704 1.00 0.00 C ATOM 1652 OE1 GLN A 109 12.666 12.268 8.294 1.00 0.00 O ATOM 1653 NE2 GLN A 109 11.328 13.008 9.939 1.00 0.00 N ATOM 0 H GLN A 109 9.429 8.893 6.136 1.00 0.00 H new ATOM 0 HA GLN A 109 7.881 11.295 6.876 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.508 10.624 8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.755 10.418 7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.556 12.910 6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.507 13.028 8.236 1.00 0.00 H new ATOM 0 HE21 GLN A 109 10.382 13.248 10.236 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.107 13.104 10.590 1.00 0.00 H new ATOM 1662 N THR A 110 8.471 12.630 4.894 1.00 0.00 N ATOM 1663 CA THR A 110 8.761 13.420 3.704 1.00 0.00 C ATOM 1664 C THR A 110 10.144 14.054 3.788 1.00 0.00 C ATOM 1665 O THR A 110 10.774 14.055 4.847 1.00 0.00 O ATOM 1666 CB THR A 110 7.713 14.529 3.496 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.683 15.395 4.636 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.331 13.934 3.269 1.00 0.00 C ATOM 0 H THR A 110 7.648 12.936 5.413 1.00 0.00 H new ATOM 0 HA THR A 110 8.729 12.736 2.856 1.00 0.00 H new ATOM 0 HB THR A 110 7.994 15.101 2.612 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.868 15.939 4.612 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.608 14.737 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.349 13.299 2.383 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.044 13.339 4.136 1.00 0.00 H new ATOM 1676 N LEU A 111 10.613 14.591 2.668 1.00 0.00 N ATOM 1677 CA LEU A 111 11.925 15.230 2.615 1.00 0.00 C ATOM 1678 C LEU A 111 11.830 16.700 3.009 1.00 0.00 C ATOM 1679 O LEU A 111 10.872 17.397 2.676 1.00 0.00 O ATOM 1680 CB LEU A 111 12.519 15.103 1.212 1.00 0.00 C ATOM 1681 CG LEU A 111 12.778 13.679 0.718 1.00 0.00 C ATOM 1682 CD1 LEU A 111 13.264 13.694 -0.723 1.00 0.00 C ATOM 1683 CD2 LEU A 111 13.786 12.978 1.616 1.00 0.00 C ATOM 0 H LEU A 111 10.105 14.597 1.783 1.00 0.00 H new ATOM 0 HA LEU A 111 12.578 14.724 3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.846 15.593 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.461 15.652 1.187 1.00 0.00 H new ATOM 0 HG LEU A 111 11.840 13.125 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.443 12.672 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.508 14.156 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.190 14.265 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.958 11.966 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.725 13.531 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.398 12.934 2.634 1.00 0.00 H new ATOM 1695 N PRO A 112 12.848 17.185 3.735 1.00 0.00 N ATOM 1696 CA PRO A 112 12.905 18.578 4.188 1.00 0.00 C ATOM 1697 C PRO A 112 13.133 19.553 3.038 1.00 0.00 C ATOM 1698 O PRO A 112 14.162 19.506 2.364 1.00 0.00 O ATOM 1699 CB PRO A 112 14.100 18.592 5.144 1.00 0.00 C ATOM 1700 CG PRO A 112 14.961 17.464 4.691 1.00 0.00 C ATOM 1701 CD PRO A 112 14.024 16.410 4.169 1.00 0.00 C ATOM 0 HA PRO A 112 11.969 18.895 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.634 19.541 5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.782 18.457 6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.653 17.789 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.563 17.078 5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.466 15.853 3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.765 15.685 4.940 1.00 0.00 H new ATOM 1709 N VAL A 113 12.164 20.436 2.817 1.00 0.00 N ATOM 1710 CA VAL A 113 12.259 21.424 1.748 1.00 0.00 C ATOM 1711 C VAL A 113 13.696 21.903 1.569 1.00 0.00 C ATOM 1712 O VAL A 113 14.304 22.434 2.497 1.00 0.00 O ATOM 1713 CB VAL A 113 11.356 22.639 2.025 1.00 0.00 C ATOM 1714 CG1 VAL A 113 11.562 23.712 0.966 1.00 0.00 C ATOM 1715 CG2 VAL A 113 9.896 22.214 2.088 1.00 0.00 C ATOM 0 H VAL A 113 11.304 20.487 3.364 1.00 0.00 H new ATOM 0 HA VAL A 113 11.925 20.934 0.833 1.00 0.00 H new ATOM 0 HB VAL A 113 11.631 23.060 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 113 10.915 24.563 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 113 12.603 24.037 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.316 23.306 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.272 23.085 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.606 21.767 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 113 9.763 21.485 2.887 1.00 0.00 H new