USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 827 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 38 SER OG : rot 180:sc= -0.467 USER MOD Set 1.2: A 39 ASN : amide:sc= -4.75! K(o=-5.2!,f=-2.2) USER MOD Set 2.1: A 35 LYS NZ :NH3+ 161:sc= -0.0464 (180deg=-0.583) USER MOD Set 2.2: A 37 SER OG : rot -90:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.603 USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= 0.192 (180deg=-0.00698!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -2:sc= -0.0078 USER MOD Single : A 26 THR OG1 : rot -15:sc= 0.239 USER MOD Single : A 27 GLN : amide:sc= -3.89 K(o=-3.9,f=-2.9) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= -0.224 (180deg=-0.83) USER MOD Single : A 33 THR OG1 : rot -158:sc= -2.72 USER MOD Single : A 42 ASN : amide:sc= 0.476 K(o=0.48,f=-3.7!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -41:sc= 0.526 USER MOD Single : A 61 THR OG1 : rot -50:sc= -0.854 USER MOD Single : A 64 THR OG1 : rot 63:sc= 0.09 USER MOD Single : A 66 THR OG1 : rot -179:sc= -0.896 USER MOD Single : A 68 THR OG1 : rot 60:sc= 0.0494 USER MOD Single : A 69 MET CE :methyl 148:sc= -0.837 (180deg=-1.79) USER MOD Single : A 72 ASN : amide:sc= -0.548 K(o=-0.55,f=-1.6!) USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0713) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.44) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= -0.751 (180deg=-0.751) USER MOD Single : A 94 SER OG : rot -103:sc= 0.0351 USER MOD Single : A 96 ASN : amide:sc= -0.259 K(o=-0.26,f=-0.79) USER MOD Single : A 100 GLN : amide:sc= -0.0284 K(o=-0.028,f=0.68) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00253 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -120:sc= -0.737 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 13.336 -10.073 4.280 1.00 0.00 N ATOM 14 CA PHE A 2 12.096 -9.358 4.534 1.00 0.00 C ATOM 15 C PHE A 2 12.145 -9.017 6.056 1.00 0.00 C ATOM 16 O PHE A 2 12.308 -7.854 6.374 1.00 0.00 O ATOM 17 CB PHE A 2 10.882 -10.194 4.263 1.00 0.00 C ATOM 18 CG PHE A 2 10.309 -10.123 2.852 1.00 0.00 C ATOM 19 CD1 PHE A 2 9.487 -9.113 2.454 1.00 0.00 C ATOM 20 CD2 PHE A 2 10.633 -11.113 1.960 1.00 0.00 C ATOM 21 CE1 PHE A 2 9.033 -9.173 1.136 1.00 0.00 C ATOM 22 CE2 PHE A 2 10.106 -11.045 0.667 1.00 0.00 C ATOM 23 CZ PHE A 2 9.373 -10.181 0.251 1.00 0.00 C ATOM 0 HA PHE A 2 12.018 -8.486 3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 2 11.128 -11.234 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 2 10.101 -9.899 4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 2 9.203 -8.312 3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 2 11.281 -11.927 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.379 -8.388 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 2 10.378 -11.834 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 2 9.001 -10.194 -0.763 1.00 0.00 H new ATOM 33 N ASP A 3 11.987 -10.121 6.812 1.00 0.00 N ATOM 34 CA ASP A 3 11.996 -9.990 8.225 1.00 0.00 C ATOM 35 C ASP A 3 12.888 -8.934 8.847 1.00 0.00 C ATOM 36 O ASP A 3 14.020 -9.319 9.209 1.00 0.00 O ATOM 37 CB ASP A 3 12.507 -11.360 8.768 1.00 0.00 C ATOM 38 CG ASP A 3 11.548 -12.478 8.483 1.00 0.00 C ATOM 39 OD1 ASP A 3 10.951 -12.447 7.397 1.00 0.00 O ATOM 40 OD2 ASP A 3 11.386 -13.367 9.317 1.00 0.00 O ATOM 0 H ASP A 3 11.858 -11.068 6.455 1.00 0.00 H new ATOM 0 HA ASP A 3 10.983 -9.685 8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.473 -11.589 8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.666 -11.286 9.844 1.00 0.00 H new ATOM 45 N GLY A 4 12.427 -7.669 8.977 1.00 0.00 N ATOM 46 CA GLY A 4 13.429 -6.825 9.600 1.00 0.00 C ATOM 47 C GLY A 4 12.949 -5.379 9.608 1.00 0.00 C ATOM 48 O GLY A 4 13.892 -4.557 9.607 1.00 0.00 O ATOM 0 H GLY A 4 11.527 -7.272 8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.619 -7.161 10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.372 -6.902 9.058 1.00 0.00 H new ATOM 52 N THR A 5 11.639 -5.119 9.613 1.00 0.00 N ATOM 53 CA THR A 5 11.227 -3.727 9.613 1.00 0.00 C ATOM 54 C THR A 5 11.539 -3.087 8.255 1.00 0.00 C ATOM 55 O THR A 5 12.434 -3.636 7.581 1.00 0.00 O ATOM 56 CB THR A 5 11.963 -2.938 10.705 1.00 0.00 C ATOM 57 OG1 THR A 5 12.440 -3.698 11.764 1.00 0.00 O ATOM 58 CG2 THR A 5 11.093 -1.815 11.310 1.00 0.00 C ATOM 0 H THR A 5 10.890 -5.812 9.617 1.00 0.00 H new ATOM 0 HA THR A 5 10.155 -3.696 9.806 1.00 0.00 H new ATOM 0 HB THR A 5 12.817 -2.530 10.164 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.894 -3.114 12.407 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.661 -1.288 12.077 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.806 -1.115 10.526 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.197 -2.248 11.755 1.00 0.00 H new ATOM 66 N TRP A 6 10.877 -2.005 7.849 1.00 0.00 N ATOM 67 CA TRP A 6 11.148 -1.384 6.592 1.00 0.00 C ATOM 68 C TRP A 6 10.735 0.103 6.579 1.00 0.00 C ATOM 69 O TRP A 6 10.074 0.396 7.544 1.00 0.00 O ATOM 70 CB TRP A 6 10.199 -1.948 5.506 1.00 0.00 C ATOM 71 CG TRP A 6 10.447 -3.327 5.055 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.468 -4.500 5.835 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.721 -3.825 3.713 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.724 -5.533 5.058 1.00 0.00 N ATOM 75 CE2 TRP A 6 10.898 -5.222 3.730 1.00 0.00 C ATOM 76 CE3 TRP A 6 10.827 -3.184 2.501 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.168 -5.922 2.608 1.00 0.00 C ATOM 78 CZ3 TRP A 6 11.099 -3.921 1.377 1.00 0.00 C ATOM 79 CH2 TRP A 6 11.273 -5.270 1.401 1.00 0.00 C ATOM 0 H TRP A 6 10.144 -1.550 8.393 1.00 0.00 H new ATOM 0 HA TRP A 6 12.212 -1.547 6.422 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.179 -1.894 5.886 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.251 -1.292 4.637 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.301 -4.545 6.901 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.788 -6.487 5.413 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.698 -2.114 2.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.301 -6.993 2.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.179 -3.407 0.430 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.488 -5.816 0.494 1.00 0.00 H new ATOM 90 N LYS A 7 11.151 0.775 5.527 1.00 0.00 N ATOM 91 CA LYS A 7 10.826 2.152 5.331 1.00 0.00 C ATOM 92 C LYS A 7 10.951 3.106 6.524 1.00 0.00 C ATOM 93 O LYS A 7 11.274 2.756 7.620 1.00 0.00 O ATOM 94 CB LYS A 7 9.294 2.228 4.978 1.00 0.00 C ATOM 95 CG LYS A 7 9.246 1.370 3.736 1.00 0.00 C ATOM 96 CD LYS A 7 7.930 1.606 2.942 1.00 0.00 C ATOM 97 CE LYS A 7 6.702 2.023 3.696 1.00 0.00 C ATOM 98 NZ LYS A 7 5.494 1.227 3.402 1.00 0.00 N ATOM 0 H LYS A 7 11.725 0.371 4.787 1.00 0.00 H new ATOM 0 HA LYS A 7 11.548 2.471 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.666 1.834 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.964 3.249 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.103 1.596 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.323 0.319 4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.130 2.367 2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.695 0.684 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.910 1.960 4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.494 3.069 3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.836 1.285 4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.032 1.600 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.762 0.234 3.245 1.00 0.00 H new ATOM 112 N VAL A 8 10.582 4.303 6.059 1.00 0.00 N ATOM 113 CA VAL A 8 10.435 5.507 6.840 1.00 0.00 C ATOM 114 C VAL A 8 11.405 5.843 7.907 1.00 0.00 C ATOM 115 O VAL A 8 11.321 6.155 9.080 1.00 0.00 O ATOM 116 CB VAL A 8 8.997 5.252 7.413 1.00 0.00 C ATOM 117 CG1 VAL A 8 8.928 4.782 8.854 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.107 6.476 7.340 1.00 0.00 C ATOM 0 H VAL A 8 10.369 4.452 5.073 1.00 0.00 H new ATOM 0 HA VAL A 8 10.617 6.385 6.220 1.00 0.00 H new ATOM 0 HB VAL A 8 8.652 4.449 6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.886 4.639 9.141 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.465 3.839 8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.383 5.530 9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.126 6.238 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.554 7.286 7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.999 6.786 6.301 1.00 0.00 H new ATOM 300 N LEU A 21 3.619 5.763 7.961 1.00 0.00 N ATOM 301 CA LEU A 21 3.652 4.430 7.370 1.00 0.00 C ATOM 302 C LEU A 21 5.112 3.969 7.617 1.00 0.00 C ATOM 303 O LEU A 21 5.868 4.816 8.037 1.00 0.00 O ATOM 304 CB LEU A 21 3.348 4.391 5.885 1.00 0.00 C ATOM 305 CG LEU A 21 3.101 5.734 5.202 1.00 0.00 C ATOM 306 CD1 LEU A 21 4.431 6.511 5.132 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.605 5.550 3.756 1.00 0.00 C ATOM 0 HA LEU A 21 2.883 3.798 7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.180 3.900 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.469 3.765 5.734 1.00 0.00 H new ATOM 0 HG LEU A 21 2.346 6.267 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.266 7.472 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.810 6.675 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.159 5.936 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.440 6.527 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.353 5.004 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.670 4.989 3.761 1.00 0.00 H new ATOM 319 N LYS A 22 5.278 2.697 7.323 1.00 0.00 N ATOM 320 CA LYS A 22 6.490 1.925 7.422 1.00 0.00 C ATOM 321 C LYS A 22 6.065 0.517 6.901 1.00 0.00 C ATOM 322 O LYS A 22 4.922 0.366 6.577 1.00 0.00 O ATOM 323 CB LYS A 22 6.857 1.537 8.889 1.00 0.00 C ATOM 324 CG LYS A 22 6.138 2.315 9.996 1.00 0.00 C ATOM 325 CD LYS A 22 6.506 1.958 11.411 1.00 0.00 C ATOM 326 CE LYS A 22 7.963 2.290 11.740 1.00 0.00 C ATOM 327 NZ LYS A 22 8.108 3.592 12.404 1.00 0.00 N ATOM 0 H LYS A 22 4.500 2.133 6.980 1.00 0.00 H new ATOM 0 HA LYS A 22 7.289 2.484 6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.648 0.476 9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.931 1.669 9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.334 3.377 9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.065 2.169 9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.851 2.492 12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.335 0.893 11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.374 1.511 12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.549 2.287 10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.113 3.769 12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.742 4.341 11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.572 3.589 13.295 1.00 0.00 H new ATOM 341 N LEU A 23 7.074 -0.323 6.900 1.00 0.00 N ATOM 342 CA LEU A 23 6.786 -1.686 6.458 1.00 0.00 C ATOM 343 C LEU A 23 7.590 -2.435 7.569 1.00 0.00 C ATOM 344 O LEU A 23 8.349 -1.687 8.183 1.00 0.00 O ATOM 345 CB LEU A 23 7.039 -2.060 5.056 1.00 0.00 C ATOM 346 CG LEU A 23 5.837 -2.133 4.096 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.459 -2.197 2.676 1.00 0.00 C ATOM 348 CD2 LEU A 23 5.000 -3.391 4.141 1.00 0.00 C ATOM 0 H LEU A 23 8.035 -0.121 7.176 1.00 0.00 H new ATOM 0 HA LEU A 23 5.725 -1.925 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.752 -1.346 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.527 -3.035 5.054 1.00 0.00 H new ATOM 0 HG LEU A 23 5.198 -1.292 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.664 -2.251 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.059 -1.304 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.092 -3.081 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.188 -3.314 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.623 -4.251 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.585 -3.516 5.141 1.00 0.00 H new ATOM 360 N THR A 24 7.379 -3.712 7.718 1.00 0.00 N ATOM 361 CA THR A 24 7.989 -4.610 8.676 1.00 0.00 C ATOM 362 C THR A 24 7.312 -5.995 8.505 1.00 0.00 C ATOM 363 O THR A 24 6.519 -6.495 9.288 1.00 0.00 O ATOM 364 CB THR A 24 7.706 -4.120 10.090 1.00 0.00 C ATOM 365 OG1 THR A 24 8.140 -2.825 10.418 1.00 0.00 O ATOM 366 CG2 THR A 24 8.121 -5.128 11.177 1.00 0.00 C ATOM 0 H THR A 24 6.715 -4.203 7.119 1.00 0.00 H new ATOM 0 HA THR A 24 9.066 -4.661 8.515 1.00 0.00 H new ATOM 0 HB THR A 24 6.619 -4.042 10.074 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.609 -2.433 9.652 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.892 -4.717 12.160 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.574 -6.060 11.037 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.191 -5.321 11.104 1.00 0.00 H new ATOM 374 N ILE A 25 7.696 -6.602 7.401 1.00 0.00 N ATOM 375 CA ILE A 25 7.094 -7.899 7.208 1.00 0.00 C ATOM 376 C ILE A 25 7.924 -8.953 7.938 1.00 0.00 C ATOM 377 O ILE A 25 9.130 -8.790 7.963 1.00 0.00 O ATOM 378 CB ILE A 25 7.031 -8.108 5.696 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.476 -6.934 4.901 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.278 -9.409 5.310 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.569 -5.979 4.431 1.00 0.00 C ATOM 0 H ILE A 25 8.350 -6.265 6.694 1.00 0.00 H new ATOM 0 HA ILE A 25 6.089 -7.978 7.621 1.00 0.00 H new ATOM 0 HB ILE A 25 8.080 -8.198 5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.930 -7.311 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.761 -6.388 5.516 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.261 -9.511 4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.787 -10.268 5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.256 -9.363 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.120 -5.160 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.099 -5.579 5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.271 -6.515 3.792 1.00 0.00 H new ATOM 393 N THR A 26 7.300 -9.974 8.496 1.00 0.00 N ATOM 394 CA THR A 26 8.131 -10.943 9.175 1.00 0.00 C ATOM 395 C THR A 26 7.258 -12.213 9.339 1.00 0.00 C ATOM 396 O THR A 26 6.725 -12.457 10.393 1.00 0.00 O ATOM 397 CB THR A 26 8.586 -10.433 10.524 1.00 0.00 C ATOM 398 OG1 THR A 26 9.300 -9.225 10.514 1.00 0.00 O ATOM 399 CG2 THR A 26 9.395 -11.515 11.277 1.00 0.00 C ATOM 0 H THR A 26 6.295 -10.147 8.496 1.00 0.00 H new ATOM 0 HA THR A 26 9.037 -11.146 8.604 1.00 0.00 H new ATOM 0 HB THR A 26 7.657 -10.209 11.048 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.600 -9.030 9.602 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.712 -11.125 12.244 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.772 -12.397 11.427 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.273 -11.787 10.691 1.00 0.00 H new ATOM 407 N GLN A 27 7.263 -12.864 8.157 1.00 0.00 N ATOM 408 CA GLN A 27 6.482 -14.075 8.179 1.00 0.00 C ATOM 409 C GLN A 27 6.842 -15.041 9.290 1.00 0.00 C ATOM 410 O GLN A 27 7.970 -15.028 9.775 1.00 0.00 O ATOM 411 CB GLN A 27 6.561 -14.720 6.777 1.00 0.00 C ATOM 412 CG GLN A 27 7.962 -14.930 6.257 1.00 0.00 C ATOM 413 CD GLN A 27 8.930 -15.603 7.218 1.00 0.00 C ATOM 414 OE1 GLN A 27 9.001 -16.824 7.360 1.00 0.00 O ATOM 415 NE2 GLN A 27 9.642 -14.673 7.840 1.00 0.00 N ATOM 0 H GLN A 27 7.737 -12.604 7.292 1.00 0.00 H new ATOM 0 HA GLN A 27 5.451 -13.809 8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.051 -15.683 6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.017 -14.092 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.906 -15.529 5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.374 -13.961 5.975 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.486 -13.687 7.631 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.346 -14.944 8.527 1.00 0.00 H new ATOM 424 N GLU A 28 5.848 -15.876 9.673 1.00 0.00 N ATOM 425 CA GLU A 28 6.076 -16.870 10.749 1.00 0.00 C ATOM 426 C GLU A 28 5.695 -18.216 10.096 1.00 0.00 C ATOM 427 O GLU A 28 4.566 -18.635 10.341 1.00 0.00 O ATOM 428 CB GLU A 28 5.202 -16.473 11.910 1.00 0.00 C ATOM 429 CG GLU A 28 5.400 -15.037 12.442 1.00 0.00 C ATOM 430 CD GLU A 28 4.550 -14.891 13.688 1.00 0.00 C ATOM 431 OE1 GLU A 28 3.651 -15.704 13.879 1.00 0.00 O ATOM 432 OE2 GLU A 28 4.824 -13.953 14.440 1.00 0.00 O ATOM 0 H GLU A 28 4.911 -15.884 9.270 1.00 0.00 H new ATOM 0 HA GLU A 28 7.091 -16.934 11.140 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.160 -16.589 11.612 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.379 -17.171 12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.450 -14.854 12.671 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.106 -14.305 11.689 1.00 0.00 H new ATOM 439 N GLY A 29 6.603 -18.816 9.332 1.00 0.00 N ATOM 440 CA GLY A 29 6.193 -20.090 8.732 1.00 0.00 C ATOM 441 C GLY A 29 5.476 -19.648 7.421 1.00 0.00 C ATOM 442 O GLY A 29 6.115 -19.573 6.398 1.00 0.00 O ATOM 0 H GLY A 29 7.545 -18.484 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.049 -20.733 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.525 -20.648 9.388 1.00 0.00 H new ATOM 446 N ASN A 30 4.197 -19.418 7.717 1.00 0.00 N ATOM 447 CA ASN A 30 3.275 -18.998 6.738 1.00 0.00 C ATOM 448 C ASN A 30 2.512 -17.744 7.185 1.00 0.00 C ATOM 449 O ASN A 30 1.651 -17.363 6.387 1.00 0.00 O ATOM 450 CB ASN A 30 2.131 -20.023 6.505 1.00 0.00 C ATOM 451 CG ASN A 30 2.527 -21.465 6.565 1.00 0.00 C ATOM 452 OD1 ASN A 30 3.540 -21.922 5.997 1.00 0.00 O ATOM 453 ND2 ASN A 30 1.733 -22.280 7.265 1.00 0.00 N ATOM 0 H ASN A 30 3.800 -19.526 8.650 1.00 0.00 H new ATOM 0 HA ASN A 30 3.890 -18.849 5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.354 -19.848 7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.687 -19.828 5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.955 -23.273 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.904 -21.909 7.730 1.00 0.00 H new ATOM 460 N LYS A 31 2.857 -17.215 8.351 1.00 0.00 N ATOM 461 CA LYS A 31 2.047 -16.030 8.654 1.00 0.00 C ATOM 462 C LYS A 31 2.785 -15.010 7.786 1.00 0.00 C ATOM 463 O LYS A 31 3.927 -15.347 7.474 1.00 0.00 O ATOM 464 CB LYS A 31 2.014 -15.617 10.103 1.00 0.00 C ATOM 465 CG LYS A 31 1.302 -16.738 10.883 1.00 0.00 C ATOM 466 CD LYS A 31 0.252 -16.193 11.842 1.00 0.00 C ATOM 467 CE LYS A 31 0.063 -17.163 13.007 1.00 0.00 C ATOM 468 NZ LYS A 31 0.168 -18.588 12.644 1.00 0.00 N ATOM 0 H LYS A 31 3.571 -17.517 9.014 1.00 0.00 H new ATOM 0 HA LYS A 31 0.984 -16.170 8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.025 -15.467 10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.485 -14.671 10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.829 -17.424 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.039 -17.314 11.443 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.560 -15.216 12.216 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.693 -16.050 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.807 -16.941 13.772 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.915 -16.987 13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.483 -19.145 13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.081 -18.710 11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.143 -18.915 12.801 1.00 0.00 H new ATOM 482 N PHE A 32 2.165 -13.900 7.454 1.00 0.00 N ATOM 483 CA PHE A 32 3.051 -13.061 6.624 1.00 0.00 C ATOM 484 C PHE A 32 2.162 -11.813 6.632 1.00 0.00 C ATOM 485 O PHE A 32 1.364 -11.621 5.755 1.00 0.00 O ATOM 486 CB PHE A 32 3.349 -13.701 5.303 1.00 0.00 C ATOM 487 CG PHE A 32 3.513 -12.651 4.232 1.00 0.00 C ATOM 488 CD1 PHE A 32 4.362 -11.593 4.203 1.00 0.00 C ATOM 489 CD2 PHE A 32 2.689 -12.763 3.113 1.00 0.00 C ATOM 490 CE1 PHE A 32 4.414 -10.690 3.146 1.00 0.00 C ATOM 491 CE2 PHE A 32 2.791 -11.832 2.096 1.00 0.00 C ATOM 492 CZ PHE A 32 3.568 -10.893 2.101 1.00 0.00 C ATOM 0 H PHE A 32 1.224 -13.579 7.683 1.00 0.00 H new ATOM 0 HA PHE A 32 4.073 -12.872 6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.258 -14.297 5.378 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.542 -14.382 5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.029 -11.445 5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.976 -13.571 3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.102 -9.857 3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.140 -11.944 1.242 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.585 -10.212 1.263 1.00 0.00 H new ATOM 502 N THR A 33 2.485 -11.127 7.733 1.00 0.00 N ATOM 503 CA THR A 33 1.743 -9.893 7.937 1.00 0.00 C ATOM 504 C THR A 33 2.649 -8.843 7.348 1.00 0.00 C ATOM 505 O THR A 33 3.834 -8.794 7.677 1.00 0.00 O ATOM 506 CB THR A 33 1.436 -9.696 9.396 1.00 0.00 C ATOM 507 OG1 THR A 33 0.026 -9.597 9.576 1.00 0.00 O ATOM 508 CG2 THR A 33 1.908 -8.355 9.897 1.00 0.00 C ATOM 0 H THR A 33 3.185 -11.375 8.432 1.00 0.00 H new ATOM 0 HA THR A 33 0.762 -9.871 7.462 1.00 0.00 H new ATOM 0 HB THR A 33 1.912 -10.530 9.911 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.165 -9.135 10.419 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.665 -8.256 10.955 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.987 -8.276 9.763 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.413 -7.562 9.336 1.00 0.00 H new ATOM 516 N VAL A 34 2.009 -8.068 6.515 1.00 0.00 N ATOM 517 CA VAL A 34 2.829 -6.990 5.889 1.00 0.00 C ATOM 518 C VAL A 34 2.370 -5.823 6.717 1.00 0.00 C ATOM 519 O VAL A 34 1.203 -5.584 6.991 1.00 0.00 O ATOM 520 CB VAL A 34 2.375 -7.030 4.458 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.905 -5.943 3.538 1.00 0.00 C ATOM 522 CG2 VAL A 34 2.776 -8.368 3.801 1.00 0.00 C ATOM 0 H VAL A 34 1.025 -8.122 6.253 1.00 0.00 H new ATOM 0 HA VAL A 34 3.919 -7.016 5.872 1.00 0.00 H new ATOM 0 HB VAL A 34 1.299 -6.883 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.502 -6.086 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.601 -4.967 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.993 -5.995 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.439 -8.380 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.860 -8.478 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.312 -9.193 4.342 1.00 0.00 H new ATOM 532 N LYS A 35 3.433 -5.089 7.110 1.00 0.00 N ATOM 533 CA LYS A 35 3.193 -3.928 7.920 1.00 0.00 C ATOM 534 C LYS A 35 2.786 -2.692 7.195 1.00 0.00 C ATOM 535 O LYS A 35 3.305 -1.601 7.079 1.00 0.00 O ATOM 536 CB LYS A 35 4.390 -3.778 8.909 1.00 0.00 C ATOM 537 CG LYS A 35 4.527 -2.345 9.420 1.00 0.00 C ATOM 538 CD LYS A 35 5.079 -2.183 10.820 1.00 0.00 C ATOM 539 CE LYS A 35 4.001 -1.742 11.847 1.00 0.00 C ATOM 540 NZ LYS A 35 4.035 -0.312 12.095 1.00 0.00 N ATOM 0 H LYS A 35 4.408 -5.283 6.883 1.00 0.00 H new ATOM 0 HA LYS A 35 2.281 -4.090 8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.251 -4.453 9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.313 -4.076 8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.171 -1.797 8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.545 -1.873 9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.517 -3.127 11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.883 -1.447 10.805 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.014 -2.022 11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.155 -2.276 12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.132 -0.011 12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.811 -0.092 12.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.186 0.192 11.198 1.00 0.00 H new ATOM 554 N GLU A 36 1.582 -2.882 6.559 1.00 0.00 N ATOM 555 CA GLU A 36 0.951 -1.867 5.791 1.00 0.00 C ATOM 556 C GLU A 36 0.211 -0.892 6.740 1.00 0.00 C ATOM 557 O GLU A 36 -1.019 -0.856 6.820 1.00 0.00 O ATOM 558 CB GLU A 36 -0.149 -2.613 4.996 1.00 0.00 C ATOM 559 CG GLU A 36 0.302 -2.819 3.517 1.00 0.00 C ATOM 560 CD GLU A 36 -0.626 -3.869 2.902 1.00 0.00 C ATOM 561 OE1 GLU A 36 -1.860 -3.769 3.005 1.00 0.00 O ATOM 562 OE2 GLU A 36 -0.126 -4.804 2.308 1.00 0.00 O ATOM 0 H GLU A 36 1.061 -3.758 6.593 1.00 0.00 H new ATOM 0 HA GLU A 36 1.667 -1.322 5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.352 -3.578 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.078 -2.044 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.243 -1.882 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.340 -3.150 3.474 1.00 0.00 H new ATOM 569 N SER A 37 1.057 -0.121 7.442 1.00 0.00 N ATOM 570 CA SER A 37 0.354 0.810 8.344 1.00 0.00 C ATOM 571 C SER A 37 -0.172 1.951 7.486 1.00 0.00 C ATOM 572 O SER A 37 0.618 2.557 6.755 1.00 0.00 O ATOM 573 CB SER A 37 1.338 1.197 9.417 1.00 0.00 C ATOM 574 OG SER A 37 1.789 0.036 10.113 1.00 0.00 O ATOM 0 H SER A 37 2.077 -0.109 7.421 1.00 0.00 H new ATOM 0 HA SER A 37 -0.514 0.395 8.857 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.187 1.716 8.972 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.871 1.891 10.116 1.00 0.00 H new ATOM 0 HG SER A 37 1.200 -0.137 10.877 1.00 0.00 H new ATOM 580 N SER A 38 -1.497 2.231 7.584 1.00 0.00 N ATOM 581 CA SER A 38 -1.981 3.322 6.759 1.00 0.00 C ATOM 582 C SER A 38 -3.438 3.626 7.109 1.00 0.00 C ATOM 583 O SER A 38 -3.927 3.168 8.139 1.00 0.00 O ATOM 584 CB SER A 38 -1.840 2.837 5.314 1.00 0.00 C ATOM 585 OG SER A 38 -3.080 2.504 4.713 1.00 0.00 O ATOM 0 H SER A 38 -2.180 1.756 8.174 1.00 0.00 H new ATOM 0 HA SER A 38 -1.422 4.245 6.914 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.354 3.613 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.187 1.964 5.293 1.00 0.00 H new ATOM 0 HG SER A 38 -2.927 2.203 3.793 1.00 0.00 H new ATOM 591 N ASN A 39 -4.111 4.407 6.234 1.00 0.00 N ATOM 592 CA ASN A 39 -5.511 4.769 6.451 1.00 0.00 C ATOM 593 C ASN A 39 -5.662 5.721 7.624 1.00 0.00 C ATOM 594 O ASN A 39 -5.496 6.920 7.443 1.00 0.00 O ATOM 595 CB ASN A 39 -6.361 3.502 6.607 1.00 0.00 C ATOM 596 CG ASN A 39 -6.188 2.691 5.317 1.00 0.00 C ATOM 597 OD1 ASN A 39 -6.431 3.178 4.219 1.00 0.00 O ATOM 598 ND2 ASN A 39 -5.752 1.461 5.606 1.00 0.00 N ATOM 0 H ASN A 39 -3.703 4.791 5.382 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.877 5.307 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.038 2.924 7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.409 3.757 6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.580 0.792 4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.592 1.192 6.577 1.00 0.00 H new ATOM 605 N PHE A 40 -5.973 5.108 8.780 1.00 0.00 N ATOM 606 CA PHE A 40 -6.122 5.994 9.913 1.00 0.00 C ATOM 607 C PHE A 40 -5.542 5.375 11.189 1.00 0.00 C ATOM 608 O PHE A 40 -5.947 5.849 12.232 1.00 0.00 O ATOM 609 CB PHE A 40 -7.637 6.296 10.078 1.00 0.00 C ATOM 610 CG PHE A 40 -8.366 6.516 8.799 1.00 0.00 C ATOM 611 CD1 PHE A 40 -8.142 7.647 8.043 1.00 0.00 C ATOM 612 CD2 PHE A 40 -9.287 5.609 8.307 1.00 0.00 C ATOM 613 CE1 PHE A 40 -8.842 7.810 6.861 1.00 0.00 C ATOM 614 CE2 PHE A 40 -9.935 5.852 7.120 1.00 0.00 C ATOM 615 CZ PHE A 40 -9.737 6.853 6.459 1.00 0.00 C ATOM 0 H PHE A 40 -6.111 4.110 8.937 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.568 6.917 9.739 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.104 5.467 10.610 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.752 7.181 10.704 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -7.432 8.393 8.368 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.498 4.705 8.859 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.683 8.690 6.256 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.648 5.125 6.760 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.278 6.991 5.535 1.00 0.00 H new ATOM 625 N ARG A 41 -4.666 4.398 11.034 1.00 0.00 N ATOM 626 CA ARG A 41 -4.056 3.762 12.169 1.00 0.00 C ATOM 627 C ARG A 41 -3.031 2.731 11.740 1.00 0.00 C ATOM 628 O ARG A 41 -2.831 2.643 10.527 1.00 0.00 O ATOM 629 CB ARG A 41 -5.110 2.947 12.963 1.00 0.00 C ATOM 630 CG ARG A 41 -5.659 1.766 12.172 1.00 0.00 C ATOM 631 CD ARG A 41 -6.411 2.168 10.867 1.00 0.00 C ATOM 632 NE ARG A 41 -7.463 1.178 10.714 1.00 0.00 N ATOM 633 CZ ARG A 41 -8.677 1.451 10.218 1.00 0.00 C ATOM 634 NH1 ARG A 41 -8.990 2.675 9.826 1.00 0.00 N ATOM 635 NH2 ARG A 41 -9.578 0.488 10.112 1.00 0.00 N ATOM 0 H ARG A 41 -4.367 4.034 10.130 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.607 4.562 12.757 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.661 2.583 13.887 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.933 3.603 13.246 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.835 1.101 11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.338 1.199 12.810 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.825 3.173 10.945 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.739 2.165 10.009 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.266 0.219 11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.303 3.425 9.899 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.918 2.868 9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.348 -0.461 10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.503 0.694 9.735 1.00 0.00 H new ATOM 649 N ASN A 42 -2.443 2.018 12.708 1.00 0.00 N ATOM 650 CA ASN A 42 -1.465 1.017 12.262 1.00 0.00 C ATOM 651 C ASN A 42 -2.332 -0.263 12.178 1.00 0.00 C ATOM 652 O ASN A 42 -2.942 -0.672 13.157 1.00 0.00 O ATOM 653 CB ASN A 42 -0.248 0.885 13.146 1.00 0.00 C ATOM 654 CG ASN A 42 -0.273 1.808 14.383 1.00 0.00 C ATOM 655 OD1 ASN A 42 -1.228 2.073 15.084 1.00 0.00 O ATOM 656 ND2 ASN A 42 0.980 2.283 14.552 1.00 0.00 N ATOM 0 H ASN A 42 -2.603 2.098 13.712 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.990 1.280 11.317 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.162 -0.150 13.478 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.643 1.106 12.558 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.184 2.921 15.321 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.722 2.004 13.910 1.00 0.00 H new ATOM 663 N ILE A 43 -2.255 -0.732 10.942 1.00 0.00 N ATOM 664 CA ILE A 43 -3.058 -1.956 10.720 1.00 0.00 C ATOM 665 C ILE A 43 -2.222 -2.817 9.832 1.00 0.00 C ATOM 666 O ILE A 43 -1.462 -2.432 8.966 1.00 0.00 O ATOM 667 CB ILE A 43 -4.336 -1.349 10.101 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.107 -2.299 9.221 1.00 0.00 C ATOM 669 CG2 ILE A 43 -3.894 -0.226 9.124 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.461 -1.739 8.738 1.00 0.00 C ATOM 0 H ILE A 43 -1.723 -0.355 10.158 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.331 -2.595 11.560 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.957 -1.039 10.941 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.498 -2.551 8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.282 -3.226 9.768 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.774 0.226 8.667 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.338 0.535 9.672 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.259 -0.650 8.346 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.958 -2.479 8.110 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.090 -1.513 9.599 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.294 -0.828 8.163 1.00 0.00 H new ATOM 682 N ASP A 44 -2.422 -4.130 10.125 1.00 0.00 N ATOM 683 CA ASP A 44 -1.678 -5.091 9.344 1.00 0.00 C ATOM 684 C ASP A 44 -2.665 -5.943 8.554 1.00 0.00 C ATOM 685 O ASP A 44 -3.874 -5.817 8.752 1.00 0.00 O ATOM 686 CB ASP A 44 -0.913 -6.095 10.231 1.00 0.00 C ATOM 687 CG ASP A 44 0.184 -5.452 11.066 1.00 0.00 C ATOM 688 OD1 ASP A 44 0.832 -4.500 10.581 1.00 0.00 O ATOM 689 OD2 ASP A 44 0.424 -5.877 12.210 1.00 0.00 O ATOM 0 H ASP A 44 -3.045 -4.504 10.841 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.985 -4.525 8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.619 -6.593 10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.473 -6.865 9.598 1.00 0.00 H new ATOM 694 N VAL A 45 -1.989 -6.728 7.737 1.00 0.00 N ATOM 695 CA VAL A 45 -2.812 -7.607 6.918 1.00 0.00 C ATOM 696 C VAL A 45 -2.242 -8.991 7.301 1.00 0.00 C ATOM 697 O VAL A 45 -1.308 -9.406 6.665 1.00 0.00 O ATOM 698 CB VAL A 45 -2.724 -7.263 5.469 1.00 0.00 C ATOM 699 CG1 VAL A 45 -4.033 -7.460 4.680 1.00 0.00 C ATOM 700 CG2 VAL A 45 -2.449 -5.745 5.343 1.00 0.00 C ATOM 0 H VAL A 45 -0.977 -6.782 7.622 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.886 -7.540 7.092 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.952 -7.921 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.874 -7.185 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.339 -8.505 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.813 -6.830 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.381 -5.474 4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.262 -5.188 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.510 -5.503 5.841 1.00 0.00 H new ATOM 710 N VAL A 46 -2.906 -9.530 8.325 1.00 0.00 N ATOM 711 CA VAL A 46 -2.398 -10.831 8.716 1.00 0.00 C ATOM 712 C VAL A 46 -3.279 -11.974 8.234 1.00 0.00 C ATOM 713 O VAL A 46 -4.433 -11.718 7.970 1.00 0.00 O ATOM 714 CB VAL A 46 -2.408 -10.840 10.250 1.00 0.00 C ATOM 715 CG1 VAL A 46 -3.708 -11.382 10.860 1.00 0.00 C ATOM 716 CG2 VAL A 46 -1.404 -11.836 10.874 1.00 0.00 C ATOM 0 H VAL A 46 -3.697 -9.143 8.840 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.410 -10.979 8.279 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.206 -9.790 10.461 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.638 -11.356 11.947 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.547 -10.766 10.536 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.864 -12.409 10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.469 -11.785 11.961 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.641 -12.847 10.543 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.393 -11.579 10.559 1.00 0.00 H new ATOM 726 N PHE A 47 -2.553 -13.096 8.192 1.00 0.00 N ATOM 727 CA PHE A 47 -3.226 -14.292 7.742 1.00 0.00 C ATOM 728 C PHE A 47 -2.240 -15.407 7.495 1.00 0.00 C ATOM 729 O PHE A 47 -1.154 -15.307 8.083 1.00 0.00 O ATOM 730 CB PHE A 47 -3.831 -14.008 6.340 1.00 0.00 C ATOM 731 CG PHE A 47 -2.805 -13.200 5.548 1.00 0.00 C ATOM 732 CD1 PHE A 47 -1.680 -13.779 5.029 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.997 -11.849 5.345 1.00 0.00 C ATOM 734 CE1 PHE A 47 -0.759 -13.016 4.319 1.00 0.00 C ATOM 735 CE2 PHE A 47 -2.035 -11.146 4.624 1.00 0.00 C ATOM 736 CZ PHE A 47 -0.939 -11.810 4.145 1.00 0.00 C ATOM 0 H PHE A 47 -1.570 -13.191 8.446 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.960 -14.565 8.501 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.062 -14.941 5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.766 -13.455 6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.506 -14.835 5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.871 -11.349 5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.125 -13.487 3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.153 -10.088 4.445 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.199 -11.252 3.590 1.00 0.00 H new ATOM 746 N GLU A 48 -2.553 -16.427 6.686 1.00 0.00 N ATOM 747 CA GLU A 48 -1.533 -17.438 6.512 1.00 0.00 C ATOM 748 C GLU A 48 -1.377 -17.935 5.046 1.00 0.00 C ATOM 749 O GLU A 48 -1.946 -18.939 4.690 1.00 0.00 O ATOM 750 CB GLU A 48 -2.028 -18.594 7.400 1.00 0.00 C ATOM 751 CG GLU A 48 -1.662 -18.311 8.852 1.00 0.00 C ATOM 752 CD GLU A 48 -1.725 -19.489 9.798 1.00 0.00 C ATOM 753 OE1 GLU A 48 -0.718 -20.198 9.964 1.00 0.00 O ATOM 754 OE2 GLU A 48 -2.727 -19.763 10.407 1.00 0.00 O ATOM 0 H GLU A 48 -3.431 -16.562 6.184 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.551 -17.044 6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.108 -18.706 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.579 -19.533 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.651 -17.905 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.327 -17.534 9.228 1.00 0.00 H new ATOM 761 N LEU A 49 -0.592 -17.106 4.386 1.00 0.00 N ATOM 762 CA LEU A 49 -0.209 -17.236 2.998 1.00 0.00 C ATOM 763 C LEU A 49 -1.311 -17.617 2.038 1.00 0.00 C ATOM 764 O LEU A 49 -1.919 -16.830 1.332 1.00 0.00 O ATOM 765 CB LEU A 49 0.999 -18.211 2.936 1.00 0.00 C ATOM 766 CG LEU A 49 2.257 -17.496 2.500 1.00 0.00 C ATOM 767 CD1 LEU A 49 2.723 -16.377 3.465 1.00 0.00 C ATOM 768 CD2 LEU A 49 3.561 -18.328 2.435 1.00 0.00 C ATOM 0 H LEU A 49 -0.185 -16.282 4.828 1.00 0.00 H new ATOM 0 HA LEU A 49 0.064 -16.243 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.155 -18.663 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.780 -19.022 2.242 1.00 0.00 H new ATOM 0 HG LEU A 49 1.907 -17.171 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.631 -15.917 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.942 -15.622 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.924 -16.804 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.383 -17.691 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.785 -18.731 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.434 -19.148 1.728 1.00 0.00 H new ATOM 780 N GLY A 50 -1.605 -18.899 1.985 1.00 0.00 N ATOM 781 CA GLY A 50 -2.659 -19.374 1.079 1.00 0.00 C ATOM 782 C GLY A 50 -3.929 -19.364 1.941 1.00 0.00 C ATOM 783 O GLY A 50 -4.330 -20.457 2.242 1.00 0.00 O ATOM 0 H GLY A 50 -1.149 -19.624 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.762 -18.723 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.441 -20.374 0.703 1.00 0.00 H new ATOM 787 N VAL A 51 -4.395 -18.153 2.224 1.00 0.00 N ATOM 788 CA VAL A 51 -5.559 -17.903 3.004 1.00 0.00 C ATOM 789 C VAL A 51 -6.333 -16.686 2.516 1.00 0.00 C ATOM 790 O VAL A 51 -6.061 -15.550 2.913 1.00 0.00 O ATOM 791 CB VAL A 51 -5.306 -17.708 4.516 1.00 0.00 C ATOM 792 CG1 VAL A 51 -6.515 -17.260 5.300 1.00 0.00 C ATOM 793 CG2 VAL A 51 -5.018 -19.070 5.156 1.00 0.00 C ATOM 0 H VAL A 51 -3.942 -17.300 1.896 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.136 -18.818 2.870 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.506 -16.969 4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.247 -17.149 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.867 -16.304 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.306 -18.003 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.838 -18.940 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.874 -19.729 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.137 -19.511 4.691 1.00 0.00 H new ATOM 803 N ASP A 52 -7.305 -17.042 1.629 1.00 0.00 N ATOM 804 CA ASP A 52 -8.079 -15.912 1.129 1.00 0.00 C ATOM 805 C ASP A 52 -9.128 -15.460 2.173 1.00 0.00 C ATOM 806 O ASP A 52 -9.616 -16.307 2.881 1.00 0.00 O ATOM 807 CB ASP A 52 -8.712 -16.122 -0.235 1.00 0.00 C ATOM 808 CG ASP A 52 -8.272 -17.445 -0.891 1.00 0.00 C ATOM 809 OD1 ASP A 52 -7.171 -17.529 -1.413 1.00 0.00 O ATOM 810 OD2 ASP A 52 -9.024 -18.403 -0.879 1.00 0.00 O ATOM 0 H ASP A 52 -7.539 -17.976 1.292 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.354 -15.113 0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.797 -16.113 -0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.446 -15.290 -0.888 1.00 0.00 H new ATOM 815 N PHE A 53 -9.313 -14.119 2.091 1.00 0.00 N ATOM 816 CA PHE A 53 -10.265 -13.573 3.000 1.00 0.00 C ATOM 817 C PHE A 53 -10.925 -12.284 2.569 1.00 0.00 C ATOM 818 O PHE A 53 -10.363 -11.644 1.694 1.00 0.00 O ATOM 819 CB PHE A 53 -9.532 -13.218 4.331 1.00 0.00 C ATOM 820 CG PHE A 53 -8.296 -12.428 4.019 1.00 0.00 C ATOM 821 CD1 PHE A 53 -8.422 -11.097 3.666 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.006 -12.912 4.055 1.00 0.00 C ATOM 823 CE1 PHE A 53 -7.240 -10.398 3.380 1.00 0.00 C ATOM 824 CE2 PHE A 53 -5.894 -12.170 3.766 1.00 0.00 C ATOM 825 CZ PHE A 53 -6.107 -10.841 3.416 1.00 0.00 C ATOM 0 H PHE A 53 -8.848 -13.471 1.455 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.036 -14.340 3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.191 -12.642 4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.270 -14.129 4.869 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -9.388 -10.617 3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -6.864 -13.947 4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.346 -9.361 3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.902 -12.594 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.269 -10.203 3.177 1.00 0.00 H new ATOM 835 N ALA A 54 -12.067 -11.910 3.145 1.00 0.00 N ATOM 836 CA ALA A 54 -12.750 -10.665 2.765 1.00 0.00 C ATOM 837 C ALA A 54 -12.550 -9.793 4.042 1.00 0.00 C ATOM 838 O ALA A 54 -13.177 -10.135 5.030 1.00 0.00 O ATOM 839 CB ALA A 54 -14.232 -10.842 2.539 1.00 0.00 C ATOM 0 H ALA A 54 -12.540 -12.445 3.873 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.359 -10.258 1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.675 -9.885 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.394 -11.563 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.699 -11.206 3.454 1.00 0.00 H new ATOM 845 N TYR A 55 -11.712 -8.784 3.872 1.00 0.00 N ATOM 846 CA TYR A 55 -11.497 -7.929 5.049 1.00 0.00 C ATOM 847 C TYR A 55 -11.812 -6.491 4.716 1.00 0.00 C ATOM 848 O TYR A 55 -12.186 -6.175 3.595 1.00 0.00 O ATOM 849 CB TYR A 55 -10.081 -8.126 5.608 1.00 0.00 C ATOM 850 CG TYR A 55 -9.971 -8.055 7.114 1.00 0.00 C ATOM 851 CD1 TYR A 55 -10.967 -8.368 8.017 1.00 0.00 C ATOM 852 CD2 TYR A 55 -8.781 -7.638 7.718 1.00 0.00 C ATOM 853 CE1 TYR A 55 -10.765 -8.265 9.389 1.00 0.00 C ATOM 854 CE2 TYR A 55 -8.700 -7.576 9.100 1.00 0.00 C ATOM 855 CZ TYR A 55 -9.747 -7.906 9.929 1.00 0.00 C ATOM 856 OH TYR A 55 -9.651 -7.845 11.301 1.00 0.00 O ATOM 0 H TYR A 55 -11.207 -8.542 3.020 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.183 -8.223 5.843 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.708 -9.095 5.277 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.428 -7.368 5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.926 -8.701 7.649 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.930 -7.366 7.111 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.594 -8.530 10.029 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.771 -7.253 9.547 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.756 -7.535 11.553 1.00 0.00 H new ATOM 866 N SER A 56 -11.629 -5.668 5.750 1.00 0.00 N ATOM 867 CA SER A 56 -11.929 -4.250 5.466 1.00 0.00 C ATOM 868 C SER A 56 -10.824 -3.447 6.187 1.00 0.00 C ATOM 869 O SER A 56 -10.937 -3.236 7.400 1.00 0.00 O ATOM 870 CB SER A 56 -13.328 -4.068 6.019 1.00 0.00 C ATOM 871 OG SER A 56 -13.459 -3.124 7.050 1.00 0.00 O ATOM 0 H SER A 56 -11.313 -5.909 6.689 1.00 0.00 H new ATOM 0 HA SER A 56 -11.924 -3.925 4.426 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.987 -3.778 5.201 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.681 -5.031 6.387 1.00 0.00 H new ATOM 0 HG SER A 56 -12.703 -3.208 7.668 1.00 0.00 H new ATOM 877 N LEU A 57 -9.835 -3.054 5.405 1.00 0.00 N ATOM 878 CA LEU A 57 -8.709 -2.284 5.923 1.00 0.00 C ATOM 879 C LEU A 57 -9.114 -0.980 6.626 1.00 0.00 C ATOM 880 O LEU A 57 -9.031 -0.986 7.870 1.00 0.00 O ATOM 881 CB LEU A 57 -7.767 -2.001 4.774 1.00 0.00 C ATOM 882 CG LEU A 57 -6.299 -2.266 5.159 1.00 0.00 C ATOM 883 CD1 LEU A 57 -5.997 -3.746 5.068 1.00 0.00 C ATOM 884 CD2 LEU A 57 -5.266 -1.625 4.240 1.00 0.00 C ATOM 0 H LEU A 57 -9.785 -3.254 4.406 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.224 -2.882 6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.037 -2.623 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.879 -0.963 4.460 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.216 -1.843 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.957 -3.923 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.650 -4.293 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.167 -4.090 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.264 -1.869 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.396 -2.004 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.398 -0.543 4.242 1.00 0.00 H new ATOM 896 N ALA A 58 -9.513 0.030 5.872 1.00 0.00 N ATOM 897 CA ALA A 58 -9.919 1.306 6.439 1.00 0.00 C ATOM 898 C ALA A 58 -11.367 1.391 6.863 1.00 0.00 C ATOM 899 O ALA A 58 -11.846 2.530 7.020 1.00 0.00 O ATOM 900 CB ALA A 58 -9.685 2.321 5.316 1.00 0.00 C ATOM 0 H ALA A 58 -9.565 -0.010 4.854 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.349 1.478 7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.967 3.316 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.631 2.319 5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.290 2.052 4.450 1.00 0.00 H new ATOM 906 N ASP A 59 -12.022 0.207 7.032 1.00 0.00 N ATOM 907 CA ASP A 59 -13.418 0.170 7.440 1.00 0.00 C ATOM 908 C ASP A 59 -14.402 0.577 6.351 1.00 0.00 C ATOM 909 O ASP A 59 -15.590 0.573 6.637 1.00 0.00 O ATOM 910 CB ASP A 59 -13.704 0.996 8.707 1.00 0.00 C ATOM 911 CG ASP A 59 -14.150 0.121 9.880 1.00 0.00 C ATOM 912 OD1 ASP A 59 -13.310 -0.582 10.445 1.00 0.00 O ATOM 913 OD2 ASP A 59 -15.323 0.179 10.170 1.00 0.00 O ATOM 0 H ASP A 59 -11.596 -0.709 6.890 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.580 -0.885 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.807 1.548 8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.478 1.733 8.491 1.00 0.00 H new ATOM 918 N GLY A 60 -13.825 0.895 5.185 1.00 0.00 N ATOM 919 CA GLY A 60 -14.637 1.306 4.052 1.00 0.00 C ATOM 920 C GLY A 60 -14.002 0.726 2.769 1.00 0.00 C ATOM 921 O GLY A 60 -14.208 1.287 1.707 1.00 0.00 O ATOM 0 H GLY A 60 -12.820 0.874 5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.660 0.946 4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.686 2.393 3.994 1.00 0.00 H new ATOM 925 N THR A 61 -13.283 -0.370 3.049 1.00 0.00 N ATOM 926 CA THR A 61 -12.571 -1.126 2.034 1.00 0.00 C ATOM 927 C THR A 61 -13.117 -2.556 1.960 1.00 0.00 C ATOM 928 O THR A 61 -13.899 -2.923 2.819 1.00 0.00 O ATOM 929 CB THR A 61 -11.034 -1.041 2.184 1.00 0.00 C ATOM 930 OG1 THR A 61 -10.579 -1.539 3.401 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.590 0.424 2.074 1.00 0.00 C ATOM 0 H THR A 61 -13.185 -0.750 3.990 1.00 0.00 H new ATOM 0 HA THR A 61 -12.762 -0.663 1.066 1.00 0.00 H new ATOM 0 HB THR A 61 -10.608 -1.652 1.388 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.093 -1.137 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.507 0.485 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.883 0.821 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.065 1.008 2.862 1.00 0.00 H new ATOM 939 N GLU A 62 -12.702 -3.339 0.948 1.00 0.00 N ATOM 940 CA GLU A 62 -13.278 -4.678 0.964 1.00 0.00 C ATOM 941 C GLU A 62 -12.331 -5.583 0.165 1.00 0.00 C ATOM 942 O GLU A 62 -12.697 -6.480 -0.590 1.00 0.00 O ATOM 943 CB GLU A 62 -14.673 -4.681 0.341 1.00 0.00 C ATOM 944 CG GLU A 62 -15.630 -5.749 0.895 1.00 0.00 C ATOM 945 CD GLU A 62 -15.955 -5.351 2.328 1.00 0.00 C ATOM 946 OE1 GLU A 62 -15.206 -5.628 3.260 1.00 0.00 O ATOM 947 OE2 GLU A 62 -17.005 -4.733 2.512 1.00 0.00 O ATOM 0 H GLU A 62 -12.051 -3.104 0.198 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.386 -5.034 1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.123 -3.699 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.574 -4.827 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.538 -5.803 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.168 -6.736 0.864 1.00 0.00 H new ATOM 954 N LEU A 63 -11.047 -5.221 0.437 1.00 0.00 N ATOM 955 CA LEU A 63 -9.974 -5.938 -0.199 1.00 0.00 C ATOM 956 C LEU A 63 -10.117 -7.411 0.112 1.00 0.00 C ATOM 957 O LEU A 63 -9.740 -7.911 1.143 1.00 0.00 O ATOM 958 CB LEU A 63 -8.678 -5.325 0.370 1.00 0.00 C ATOM 959 CG LEU A 63 -8.103 -4.235 -0.535 1.00 0.00 C ATOM 960 CD1 LEU A 63 -8.956 -2.986 -0.470 1.00 0.00 C ATOM 961 CD2 LEU A 63 -6.697 -3.827 -0.084 1.00 0.00 C ATOM 0 H LEU A 63 -10.766 -4.469 1.066 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.974 -5.854 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.880 -4.906 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.935 -6.112 0.504 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.079 -4.646 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.531 -2.221 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.969 -3.220 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.983 -2.617 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.314 -3.051 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.738 -3.446 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.037 -4.694 -0.121 1.00 0.00 H new ATOM 973 N THR A 64 -10.701 -8.111 -0.886 1.00 0.00 N ATOM 974 CA THR A 64 -10.942 -9.510 -0.827 1.00 0.00 C ATOM 975 C THR A 64 -9.849 -10.272 -1.601 1.00 0.00 C ATOM 976 O THR A 64 -9.888 -10.323 -2.824 1.00 0.00 O ATOM 977 CB THR A 64 -12.302 -9.856 -1.444 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.355 -9.565 -0.565 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.380 -11.317 -1.795 1.00 0.00 C ATOM 0 H THR A 64 -11.012 -7.681 -1.757 1.00 0.00 H new ATOM 0 HA THR A 64 -10.933 -9.803 0.223 1.00 0.00 H new ATOM 0 HB THR A 64 -12.397 -9.248 -2.344 1.00 0.00 H new ATOM 0 HG1 THR A 64 -13.378 -8.601 -0.390 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.355 -11.535 -2.231 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.598 -11.561 -2.515 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.243 -11.915 -0.894 1.00 0.00 H new ATOM 987 N GLY A 65 -8.935 -10.812 -0.819 1.00 0.00 N ATOM 988 CA GLY A 65 -7.904 -11.537 -1.579 1.00 0.00 C ATOM 989 C GLY A 65 -7.089 -12.356 -0.559 1.00 0.00 C ATOM 990 O GLY A 65 -7.540 -12.457 0.570 1.00 0.00 O ATOM 0 H GLY A 65 -8.868 -10.784 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.360 -12.190 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.261 -10.841 -2.118 1.00 0.00 H new ATOM 994 N THR A 66 -5.991 -12.822 -1.159 1.00 0.00 N ATOM 995 CA THR A 66 -5.008 -13.639 -0.467 1.00 0.00 C ATOM 996 C THR A 66 -3.593 -13.272 -0.799 1.00 0.00 C ATOM 997 O THR A 66 -3.334 -12.842 -1.940 1.00 0.00 O ATOM 998 CB THR A 66 -5.335 -15.063 -0.935 1.00 0.00 C ATOM 999 OG1 THR A 66 -5.093 -15.964 0.095 1.00 0.00 O ATOM 1000 CG2 THR A 66 -4.390 -15.424 -2.104 1.00 0.00 C ATOM 0 H THR A 66 -5.764 -12.640 -2.137 1.00 0.00 H new ATOM 0 HA THR A 66 -5.067 -13.508 0.614 1.00 0.00 H new ATOM 0 HB THR A 66 -6.381 -15.112 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.290 -16.873 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.609 -16.434 -2.450 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.539 -14.720 -2.923 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.355 -15.372 -1.765 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.610 -13.402 0.126 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.231 -13.025 -0.254 1.00 0.00 C ATOM 1010 C TRP A 67 -0.432 -14.313 0.067 1.00 0.00 C ATOM 1011 O TRP A 67 -0.213 -14.544 1.220 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.669 -11.840 0.492 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.311 -10.559 -0.039 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -1.716 -9.505 0.796 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.644 -10.123 -1.368 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -2.221 -8.584 0.041 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.230 -8.864 -1.288 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -1.512 -10.657 -2.606 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -2.658 -8.239 -2.423 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -1.928 -10.021 -3.734 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -2.522 -8.793 -3.684 1.00 0.00 C ATOM 0 H TRP A 67 -2.733 -13.742 1.080 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.183 -12.699 -1.293 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.863 -11.942 1.560 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.413 -11.797 0.367 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -1.623 -9.470 1.871 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.587 -7.709 0.417 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.056 -11.631 -2.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -3.124 -7.269 -2.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.785 -10.499 -4.692 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.865 -8.285 -4.573 1.00 0.00 H new ATOM 1032 N THR A 68 -0.145 -14.922 -1.068 1.00 0.00 N ATOM 1033 CA THR A 68 0.580 -16.154 -1.230 1.00 0.00 C ATOM 1034 C THR A 68 2.047 -16.020 -1.664 1.00 0.00 C ATOM 1035 O THR A 68 2.357 -16.302 -2.788 1.00 0.00 O ATOM 1036 CB THR A 68 -0.113 -17.059 -2.246 1.00 0.00 C ATOM 1037 OG1 THR A 68 -0.450 -16.394 -3.444 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.342 -17.790 -1.707 1.00 0.00 C ATOM 0 H THR A 68 -0.438 -14.533 -1.964 1.00 0.00 H new ATOM 0 HA THR A 68 0.583 -16.576 -0.225 1.00 0.00 H new ATOM 0 HB THR A 68 0.645 -17.812 -2.463 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.363 -16.038 -3.860 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.771 -18.410 -2.494 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.051 -18.421 -0.867 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.082 -17.062 -1.375 1.00 0.00 H new ATOM 1046 N MET A 69 2.746 -15.580 -0.628 1.00 0.00 N ATOM 1047 CA MET A 69 4.186 -15.328 -0.648 1.00 0.00 C ATOM 1048 C MET A 69 4.765 -16.588 -1.255 1.00 0.00 C ATOM 1049 O MET A 69 4.946 -17.585 -0.549 1.00 0.00 O ATOM 1050 CB MET A 69 4.681 -15.179 0.821 1.00 0.00 C ATOM 1051 CG MET A 69 5.958 -14.342 0.913 1.00 0.00 C ATOM 1052 SD MET A 69 7.345 -15.151 0.143 1.00 0.00 S ATOM 1053 CE MET A 69 8.691 -14.066 0.590 1.00 0.00 C ATOM 0 H MET A 69 2.318 -15.382 0.277 1.00 0.00 H new ATOM 0 HA MET A 69 4.467 -14.430 -1.197 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.899 -14.715 1.422 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.864 -16.167 1.244 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.793 -13.375 0.437 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.188 -14.147 1.960 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.605 -14.648 0.705 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.832 -13.320 -0.192 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.459 -13.566 1.531 1.00 0.00 H new ATOM 1063 N GLU A 70 5.048 -16.518 -2.562 1.00 0.00 N ATOM 1064 CA GLU A 70 5.616 -17.716 -3.195 1.00 0.00 C ATOM 1065 C GLU A 70 7.109 -17.755 -3.015 1.00 0.00 C ATOM 1066 O GLU A 70 7.699 -18.822 -3.090 1.00 0.00 O ATOM 1067 CB GLU A 70 5.266 -17.719 -4.699 1.00 0.00 C ATOM 1068 CG GLU A 70 6.220 -18.400 -5.655 1.00 0.00 C ATOM 1069 CD GLU A 70 5.530 -18.713 -6.998 1.00 0.00 C ATOM 1070 OE1 GLU A 70 5.500 -17.864 -7.894 1.00 0.00 O ATOM 1071 OE2 GLU A 70 5.014 -19.828 -7.149 1.00 0.00 O ATOM 0 H GLU A 70 4.907 -15.708 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 70 5.190 -18.600 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.289 -18.189 -4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.159 -16.682 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.085 -17.760 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.590 -19.323 -5.209 1.00 0.00 H new ATOM 1078 N GLY A 71 7.668 -16.569 -2.779 1.00 0.00 N ATOM 1079 CA GLY A 71 9.110 -16.572 -2.600 1.00 0.00 C ATOM 1080 C GLY A 71 9.607 -15.386 -3.448 1.00 0.00 C ATOM 1081 O GLY A 71 9.719 -15.453 -4.678 1.00 0.00 O ATOM 0 H GLY A 71 7.192 -15.669 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.380 -16.450 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.550 -17.511 -2.935 1.00 0.00 H new ATOM 1085 N ASN A 72 9.881 -14.332 -2.678 1.00 0.00 N ATOM 1086 CA ASN A 72 10.358 -13.120 -3.287 1.00 0.00 C ATOM 1087 C ASN A 72 9.319 -12.553 -4.274 1.00 0.00 C ATOM 1088 O ASN A 72 9.727 -11.870 -5.205 1.00 0.00 O ATOM 1089 CB ASN A 72 11.732 -13.316 -3.926 1.00 0.00 C ATOM 1090 CG ASN A 72 12.460 -14.315 -3.029 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.341 -14.234 -1.810 1.00 0.00 O ATOM 1092 ND2 ASN A 72 13.196 -15.229 -3.632 1.00 0.00 N ATOM 0 H ASN A 72 9.781 -14.304 -1.663 1.00 0.00 H new ATOM 0 HA ASN A 72 10.490 -12.375 -2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.641 -13.696 -4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.275 -12.373 -3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.705 -15.919 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.256 -15.245 -4.650 1.00 0.00 H new ATOM 1099 N LYS A 73 8.057 -12.923 -3.936 1.00 0.00 N ATOM 1100 CA LYS A 73 6.953 -12.458 -4.787 1.00 0.00 C ATOM 1101 C LYS A 73 5.810 -11.912 -3.959 1.00 0.00 C ATOM 1102 O LYS A 73 6.030 -11.773 -2.759 1.00 0.00 O ATOM 1103 CB LYS A 73 6.587 -13.530 -5.779 1.00 0.00 C ATOM 1104 CG LYS A 73 7.423 -13.698 -7.025 1.00 0.00 C ATOM 1105 CD LYS A 73 6.583 -13.840 -8.290 1.00 0.00 C ATOM 1106 CE LYS A 73 5.934 -12.474 -8.589 1.00 0.00 C ATOM 1107 NZ LYS A 73 5.105 -12.499 -9.777 1.00 0.00 N ATOM 0 H LYS A 73 7.797 -13.501 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 73 7.269 -11.604 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.593 -14.483 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.560 -13.347 -6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.086 -12.839 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.057 -14.578 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.205 -14.157 -9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.817 -14.604 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.329 -12.168 -7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.715 -11.724 -8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.600 -11.594 -9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.703 -12.647 -10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.416 -13.274 -9.703 1.00 0.00 H new ATOM 1121 N LEU A 74 4.671 -11.634 -4.599 1.00 0.00 N ATOM 1122 CA LEU A 74 3.619 -11.104 -3.758 1.00 0.00 C ATOM 1123 C LEU A 74 2.263 -11.127 -4.434 1.00 0.00 C ATOM 1124 O LEU A 74 1.453 -10.224 -4.318 1.00 0.00 O ATOM 1125 CB LEU A 74 3.950 -9.710 -3.204 1.00 0.00 C ATOM 1126 CG LEU A 74 4.006 -9.814 -1.655 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.438 -8.544 -0.955 1.00 0.00 C ATOM 1128 CD2 LEU A 74 2.687 -10.316 -1.055 1.00 0.00 C ATOM 0 H LEU A 74 4.471 -11.753 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 74 3.558 -11.778 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.904 -9.359 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.194 -8.988 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 74 4.786 -10.553 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.449 -8.708 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.437 -8.266 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.740 -7.742 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.778 -10.371 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.883 -9.628 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.461 -11.306 -1.451 1.00 0.00 H new ATOM 1140 N VAL A 75 2.118 -12.259 -5.148 1.00 0.00 N ATOM 1141 CA VAL A 75 0.957 -12.609 -5.918 1.00 0.00 C ATOM 1142 C VAL A 75 -0.295 -12.954 -5.120 1.00 0.00 C ATOM 1143 O VAL A 75 -0.298 -13.503 -4.041 1.00 0.00 O ATOM 1144 CB VAL A 75 1.395 -13.749 -6.826 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.328 -14.252 -7.795 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.501 -13.294 -7.803 1.00 0.00 C ATOM 0 H VAL A 75 2.848 -12.970 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 75 0.627 -11.731 -6.473 1.00 0.00 H new ATOM 0 HB VAL A 75 1.685 -14.515 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.737 -15.063 -8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.532 -14.616 -7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.016 -13.437 -8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.792 -14.131 -8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.126 -12.481 -8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.367 -12.949 -7.238 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.393 -12.572 -5.769 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.714 -12.805 -5.192 1.00 0.00 C ATOM 1158 C GLY A 76 -3.499 -11.615 -5.823 1.00 0.00 C ATOM 1159 O GLY A 76 -3.134 -11.329 -6.936 1.00 0.00 O ATOM 0 H GLY A 76 -1.396 -12.108 -6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.127 -13.773 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.705 -12.768 -4.103 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.436 -11.141 -4.979 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.221 -10.045 -5.484 1.00 0.00 C ATOM 1165 C LYS A 77 -6.388 -9.678 -4.616 1.00 0.00 C ATOM 1166 O LYS A 77 -7.238 -10.501 -4.337 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.749 -10.593 -6.823 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.096 -10.054 -7.201 1.00 0.00 C ATOM 1169 CD LYS A 77 -7.854 -10.944 -8.191 1.00 0.00 C ATOM 1170 CE LYS A 77 -9.187 -10.355 -8.655 1.00 0.00 C ATOM 1171 NZ LYS A 77 -10.270 -10.730 -7.756 1.00 0.00 N ATOM 0 H LYS A 77 -4.643 -11.473 -4.037 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.622 -9.137 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.036 -10.352 -7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.805 -11.680 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.697 -9.934 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.973 -9.062 -7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.223 -11.122 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.037 -11.913 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.110 -9.269 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.410 -10.704 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.162 -10.317 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.357 -11.766 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.066 -10.376 -6.800 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.344 -8.385 -4.237 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.425 -7.834 -3.386 1.00 0.00 C ATOM 1187 C PHE A 78 -8.081 -6.851 -4.340 1.00 0.00 C ATOM 1188 O PHE A 78 -7.637 -6.455 -5.395 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.876 -7.316 -2.095 1.00 0.00 C ATOM 1190 CG PHE A 78 -6.073 -8.187 -1.198 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.480 -9.376 -1.493 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -5.834 -7.833 0.134 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.761 -10.086 -0.578 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -5.094 -8.598 1.018 1.00 0.00 C ATOM 1195 CZ PHE A 78 -4.568 -9.768 0.559 1.00 0.00 C ATOM 0 H PHE A 78 -5.608 -7.726 -4.491 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.171 -8.532 -3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.258 -6.451 -2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.722 -6.952 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.583 -9.773 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.253 -6.905 0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.327 -11.018 -0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.939 -8.278 2.038 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.985 -10.400 1.213 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.269 -6.462 -3.843 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.058 -5.532 -4.589 1.00 0.00 C ATOM 1207 C LYS A 79 -11.139 -4.869 -3.769 1.00 0.00 C ATOM 1208 O LYS A 79 -11.640 -5.491 -2.841 1.00 0.00 O ATOM 1209 CB LYS A 79 -10.736 -6.463 -5.649 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.556 -5.652 -6.634 1.00 0.00 C ATOM 1211 CD LYS A 79 -12.896 -6.276 -7.107 1.00 0.00 C ATOM 1212 CE LYS A 79 -12.651 -7.581 -7.872 1.00 0.00 C ATOM 1213 NZ LYS A 79 -13.749 -8.062 -8.702 1.00 0.00 N ATOM 0 H LYS A 79 -9.671 -6.776 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.453 -4.715 -4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.973 -7.029 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.376 -7.188 -5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.773 -4.685 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.940 -5.461 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.536 -6.469 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.426 -5.569 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.776 -7.445 -8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.402 -8.359 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.469 -8.948 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.585 -8.233 -8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.978 -7.348 -9.423 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.478 -3.628 -4.144 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.544 -2.974 -3.398 1.00 0.00 C ATOM 1229 C ARG A 80 -13.839 -3.144 -4.246 1.00 0.00 C ATOM 1230 O ARG A 80 -14.311 -2.201 -4.835 1.00 0.00 O ATOM 1231 CB ARG A 80 -12.261 -1.529 -3.015 1.00 0.00 C ATOM 1232 CG ARG A 80 -10.944 -1.019 -3.606 1.00 0.00 C ATOM 1233 CD ARG A 80 -10.570 0.399 -3.112 1.00 0.00 C ATOM 1234 NE ARG A 80 -9.856 1.133 -4.115 1.00 0.00 N ATOM 1235 CZ ARG A 80 -9.659 2.445 -4.137 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -10.158 3.215 -3.142 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -8.971 3.017 -5.136 1.00 0.00 N ATOM 0 H ARG A 80 -11.060 -3.093 -4.905 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.649 -3.448 -2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.080 -0.897 -3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.227 -1.443 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.143 -1.711 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.019 -1.011 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.475 0.941 -2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.960 0.323 -2.212 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.461 0.595 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.683 2.786 -2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.009 4.224 -3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.593 2.442 -5.889 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.826 4.027 -5.143 1.00 0.00 H new ATOM 1251 N VAL A 81 -14.233 -4.400 -4.177 1.00 0.00 N ATOM 1252 CA VAL A 81 -15.381 -4.943 -4.845 1.00 0.00 C ATOM 1253 C VAL A 81 -16.533 -3.958 -5.076 1.00 0.00 C ATOM 1254 O VAL A 81 -16.945 -3.873 -6.228 1.00 0.00 O ATOM 1255 CB VAL A 81 -15.954 -6.105 -4.035 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -17.498 -6.154 -4.116 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -15.519 -7.512 -4.442 1.00 0.00 C ATOM 0 H VAL A 81 -13.732 -5.096 -3.625 1.00 0.00 H new ATOM 0 HA VAL A 81 -15.004 -5.244 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 81 -15.559 -5.881 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.867 -6.994 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.913 -5.226 -3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.804 -6.277 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.996 -8.243 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.814 -7.700 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.436 -7.598 -4.353 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.941 -3.326 -3.995 1.00 0.00 N ATOM 1268 CA ASP A 82 -18.024 -2.387 -4.064 1.00 0.00 C ATOM 1269 C ASP A 82 -17.809 -1.324 -5.140 1.00 0.00 C ATOM 1270 O ASP A 82 -18.870 -0.912 -5.650 1.00 0.00 O ATOM 1271 CB ASP A 82 -18.182 -1.742 -2.661 1.00 0.00 C ATOM 1272 CG ASP A 82 -19.471 -2.153 -1.977 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -19.901 -3.299 -2.004 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -20.078 -1.273 -1.386 1.00 0.00 O ATOM 0 H ASP A 82 -16.537 -3.449 -3.066 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.936 -2.912 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.336 -2.027 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.156 -0.657 -2.758 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.540 -0.965 -5.408 1.00 0.00 N ATOM 1280 CA ASN A 83 -16.332 0.045 -6.393 1.00 0.00 C ATOM 1281 C ASN A 83 -14.903 0.573 -6.501 1.00 0.00 C ATOM 1282 O ASN A 83 -14.707 1.401 -7.387 1.00 0.00 O ATOM 1283 CB ASN A 83 -17.137 1.310 -5.967 1.00 0.00 C ATOM 1284 CG ASN A 83 -16.186 2.197 -5.150 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -15.939 1.976 -3.969 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -15.659 3.213 -5.831 1.00 0.00 N ATOM 0 H ASN A 83 -15.703 -1.349 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.619 -0.427 -7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -17.506 1.845 -6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -18.008 1.031 -5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -15.014 3.855 -5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.900 3.349 -6.813 1.00 0.00 H new ATOM 1293 N GLY A 84 -13.963 0.149 -5.674 1.00 0.00 N ATOM 1294 CA GLY A 84 -12.639 0.758 -5.874 1.00 0.00 C ATOM 1295 C GLY A 84 -11.937 -0.182 -6.862 1.00 0.00 C ATOM 1296 O GLY A 84 -11.104 0.289 -7.621 1.00 0.00 O ATOM 0 H GLY A 84 -14.058 -0.541 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.722 1.768 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.089 0.832 -4.936 1.00 0.00 H new ATOM 1300 N LYS A 85 -12.397 -1.428 -6.687 1.00 0.00 N ATOM 1301 CA LYS A 85 -11.868 -2.454 -7.523 1.00 0.00 C ATOM 1302 C LYS A 85 -10.472 -2.995 -7.217 1.00 0.00 C ATOM 1303 O LYS A 85 -10.031 -2.624 -6.132 1.00 0.00 O ATOM 1304 CB LYS A 85 -11.884 -1.948 -8.971 1.00 0.00 C ATOM 1305 CG LYS A 85 -12.417 -3.127 -9.815 1.00 0.00 C ATOM 1306 CD LYS A 85 -13.818 -2.756 -10.241 1.00 0.00 C ATOM 1307 CE LYS A 85 -14.892 -3.190 -9.231 1.00 0.00 C ATOM 1308 NZ LYS A 85 -15.702 -2.014 -8.933 1.00 0.00 N ATOM 0 H LYS A 85 -13.098 -1.718 -6.005 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.520 -3.306 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.524 -1.071 -9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.886 -1.653 -9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.781 -3.300 -10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.420 -4.049 -9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.875 -1.676 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.031 -3.214 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.509 -3.988 -9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.432 -3.581 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -16.444 -2.268 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.098 -1.270 -8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.142 -1.665 -9.808 1.00 0.00 H new ATOM 1322 N GLU A 86 -9.980 -3.784 -8.166 1.00 0.00 N ATOM 1323 CA GLU A 86 -8.693 -4.335 -7.882 1.00 0.00 C ATOM 1324 C GLU A 86 -7.636 -3.347 -7.315 1.00 0.00 C ATOM 1325 O GLU A 86 -7.642 -2.262 -7.836 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.071 -5.144 -9.016 1.00 0.00 C ATOM 1327 CG GLU A 86 -8.980 -6.198 -9.652 1.00 0.00 C ATOM 1328 CD GLU A 86 -9.452 -5.910 -11.061 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -10.307 -5.077 -11.290 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -8.944 -6.556 -11.976 1.00 0.00 O ATOM 0 H GLU A 86 -10.415 -4.031 -9.055 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.954 -5.021 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.745 -4.454 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.178 -5.641 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.450 -7.150 -9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.856 -6.324 -9.016 1.00 0.00 H new ATOM 1337 N LEU A 87 -6.954 -3.963 -6.356 1.00 0.00 N ATOM 1338 CA LEU A 87 -5.871 -3.384 -5.579 1.00 0.00 C ATOM 1339 C LEU A 87 -4.873 -4.465 -5.202 1.00 0.00 C ATOM 1340 O LEU A 87 -4.431 -4.602 -4.094 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.357 -2.554 -4.379 1.00 0.00 C ATOM 1342 CG LEU A 87 -6.896 -1.176 -4.842 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -7.320 -0.387 -3.589 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -5.865 -0.322 -5.554 1.00 0.00 C ATOM 0 H LEU A 87 -7.153 -4.927 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.356 -2.658 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.141 -3.096 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.537 -2.411 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.710 -1.378 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.704 0.589 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.098 -0.937 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.459 -0.254 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.317 0.626 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.025 -0.132 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.510 -0.845 -6.442 1.00 0.00 H new ATOM 1356 N ILE A 88 -4.597 -5.183 -6.296 1.00 0.00 N ATOM 1357 CA ILE A 88 -3.659 -6.295 -6.228 1.00 0.00 C ATOM 1358 C ILE A 88 -2.301 -5.624 -5.880 1.00 0.00 C ATOM 1359 O ILE A 88 -2.240 -4.417 -5.873 1.00 0.00 O ATOM 1360 CB ILE A 88 -3.622 -6.922 -7.591 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.022 -7.492 -7.950 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -2.640 -8.042 -7.904 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.132 -8.047 -9.378 1.00 0.00 C ATOM 0 H ILE A 88 -5.002 -5.015 -7.217 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.912 -7.067 -5.502 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.273 -6.071 -8.177 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.270 -8.285 -7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.766 -6.706 -7.820 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.769 -8.360 -8.938 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.621 -7.683 -7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.826 -8.885 -7.239 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.141 -8.424 -9.545 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.918 -7.254 -10.094 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.415 -8.857 -9.510 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.368 -6.547 -5.631 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.020 -6.119 -5.279 1.00 0.00 C ATOM 1377 C ALA A 89 0.950 -6.972 -6.045 1.00 0.00 C ATOM 1378 O ALA A 89 1.650 -7.736 -5.430 1.00 0.00 O ATOM 1379 CB ALA A 89 0.159 -6.207 -3.757 1.00 0.00 C ATOM 0 H ALA A 89 -1.515 -7.556 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 89 0.164 -5.079 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.166 -5.888 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.569 -5.560 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.007 -7.236 -3.432 1.00 0.00 H new ATOM 1385 N VAL A 90 0.860 -6.725 -7.344 1.00 0.00 N ATOM 1386 CA VAL A 90 1.773 -7.505 -8.147 1.00 0.00 C ATOM 1387 C VAL A 90 3.158 -7.010 -7.641 1.00 0.00 C ATOM 1388 O VAL A 90 3.564 -5.879 -7.875 1.00 0.00 O ATOM 1389 CB VAL A 90 1.773 -7.144 -9.608 1.00 0.00 C ATOM 1390 CG1 VAL A 90 3.131 -7.476 -10.275 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.818 -7.919 -10.504 1.00 0.00 C ATOM 0 H VAL A 90 0.240 -6.069 -7.818 1.00 0.00 H new ATOM 0 HA VAL A 90 1.524 -8.563 -8.061 1.00 0.00 H new ATOM 0 HB VAL A 90 1.500 -6.090 -9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.095 -7.202 -11.329 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.925 -6.916 -9.782 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.330 -8.544 -10.184 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.914 -7.565 -11.530 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.061 -8.981 -10.462 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.206 -7.767 -10.162 1.00 0.00 H new ATOM 1401 N ARG A 91 3.835 -7.942 -6.933 1.00 0.00 N ATOM 1402 CA ARG A 91 5.095 -7.434 -6.479 1.00 0.00 C ATOM 1403 C ARG A 91 6.032 -8.507 -6.020 1.00 0.00 C ATOM 1404 O ARG A 91 5.657 -9.570 -5.645 1.00 0.00 O ATOM 1405 CB ARG A 91 4.855 -6.563 -5.212 1.00 0.00 C ATOM 1406 CG ARG A 91 6.062 -5.932 -4.595 1.00 0.00 C ATOM 1407 CD ARG A 91 6.639 -4.718 -5.342 1.00 0.00 C ATOM 1408 NE ARG A 91 7.826 -5.072 -6.105 1.00 0.00 N ATOM 1409 CZ ARG A 91 7.941 -4.886 -7.412 1.00 0.00 C ATOM 1410 NH1 ARG A 91 7.020 -4.368 -8.207 1.00 0.00 N ATOM 1411 NH2 ARG A 91 9.092 -5.254 -8.023 1.00 0.00 N ATOM 0 H ARG A 91 3.568 -8.899 -6.702 1.00 0.00 H new ATOM 0 HA ARG A 91 5.524 -6.896 -7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.152 -5.772 -5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.372 -7.184 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.809 -5.624 -3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.842 -6.689 -4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.883 -4.310 -6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.886 -3.934 -4.626 1.00 0.00 H new ATOM 0 HE ARG A 91 8.613 -5.486 -5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.123 -4.070 -7.823 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.206 -4.266 -9.205 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.850 -5.666 -7.478 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.201 -5.120 -9.028 1.00 0.00 H new ATOM 1425 N GLU A 92 7.294 -8.013 -6.124 1.00 0.00 N ATOM 1426 CA GLU A 92 8.368 -8.857 -5.720 1.00 0.00 C ATOM 1427 C GLU A 92 9.549 -7.898 -5.429 1.00 0.00 C ATOM 1428 O GLU A 92 9.693 -7.037 -6.294 1.00 0.00 O ATOM 1429 CB GLU A 92 8.659 -9.758 -6.898 1.00 0.00 C ATOM 1430 CG GLU A 92 8.491 -9.161 -8.327 1.00 0.00 C ATOM 1431 CD GLU A 92 8.634 -10.281 -9.337 1.00 0.00 C ATOM 1432 OE1 GLU A 92 9.555 -11.119 -9.259 1.00 0.00 O ATOM 1433 OE2 GLU A 92 7.792 -10.316 -10.228 1.00 0.00 O ATOM 0 H GLU A 92 7.550 -7.087 -6.467 1.00 0.00 H new ATOM 0 HA GLU A 92 8.167 -9.473 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.685 -10.114 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.010 -10.630 -6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.516 -8.684 -8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.242 -8.391 -8.506 1.00 0.00 H new ATOM 1440 N ILE A 93 10.203 -8.166 -4.296 1.00 0.00 N ATOM 1441 CA ILE A 93 11.329 -7.349 -3.905 1.00 0.00 C ATOM 1442 C ILE A 93 12.185 -6.987 -5.110 1.00 0.00 C ATOM 1443 O ILE A 93 12.901 -7.864 -5.628 1.00 0.00 O ATOM 1444 CB ILE A 93 12.184 -7.946 -2.786 1.00 0.00 C ATOM 1445 CG1 ILE A 93 11.602 -7.521 -1.417 1.00 0.00 C ATOM 1446 CG2 ILE A 93 13.619 -7.426 -2.779 1.00 0.00 C ATOM 1447 CD1 ILE A 93 10.074 -7.473 -1.297 1.00 0.00 C ATOM 0 H ILE A 93 9.972 -8.925 -3.655 1.00 0.00 H new ATOM 0 HA ILE A 93 10.896 -6.441 -3.486 1.00 0.00 H new ATOM 0 HB ILE A 93 12.179 -9.023 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.980 -8.208 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.992 -6.533 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 93 14.170 -7.890 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 93 14.100 -7.672 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.613 -6.344 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.798 -7.161 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.674 -6.761 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.662 -8.462 -1.497 1.00 0.00 H new ATOM 1459 N SER A 94 12.032 -5.718 -5.456 1.00 0.00 N ATOM 1460 CA SER A 94 12.816 -5.293 -6.610 1.00 0.00 C ATOM 1461 C SER A 94 14.315 -5.364 -6.407 1.00 0.00 C ATOM 1462 O SER A 94 15.039 -5.947 -7.229 1.00 0.00 O ATOM 1463 CB SER A 94 12.339 -3.876 -7.021 1.00 0.00 C ATOM 1464 OG SER A 94 13.383 -2.962 -7.093 1.00 0.00 O ATOM 0 H SER A 94 11.435 -5.022 -5.009 1.00 0.00 H new ATOM 0 HA SER A 94 12.638 -6.000 -7.421 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.841 -3.931 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.600 -3.522 -6.302 1.00 0.00 H new ATOM 0 HG SER A 94 13.366 -2.384 -6.302 1.00 0.00 H new ATOM 1470 N GLY A 95 14.734 -4.762 -5.302 1.00 0.00 N ATOM 1471 CA GLY A 95 16.169 -4.800 -5.054 1.00 0.00 C ATOM 1472 C GLY A 95 16.425 -3.990 -3.763 1.00 0.00 C ATOM 1473 O GLY A 95 16.545 -2.788 -3.759 1.00 0.00 O ATOM 0 H GLY A 95 14.157 -4.279 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.514 -5.828 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.717 -4.372 -5.893 1.00 0.00 H new ATOM 1477 N ASN A 96 16.479 -4.875 -2.744 1.00 0.00 N ATOM 1478 CA ASN A 96 16.706 -4.489 -1.379 1.00 0.00 C ATOM 1479 C ASN A 96 15.611 -3.491 -0.936 1.00 0.00 C ATOM 1480 O ASN A 96 15.926 -2.550 -0.183 1.00 0.00 O ATOM 1481 CB ASN A 96 18.119 -3.915 -1.331 1.00 0.00 C ATOM 1482 CG ASN A 96 19.073 -5.049 -0.920 1.00 0.00 C ATOM 1483 OD1 ASN A 96 18.812 -5.747 0.049 1.00 0.00 O ATOM 1484 ND2 ASN A 96 20.153 -5.140 -1.735 1.00 0.00 N ATOM 0 H ASN A 96 16.362 -5.880 -2.871 1.00 0.00 H new ATOM 0 HA ASN A 96 16.640 -5.322 -0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.401 -3.512 -2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.173 -3.093 -0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 96 20.861 -5.855 -1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 96 20.258 -4.493 -2.517 1.00 0.00 H new ATOM 1491 N GLU A 97 14.425 -3.768 -1.436 1.00 0.00 N ATOM 1492 CA GLU A 97 13.195 -3.043 -1.209 1.00 0.00 C ATOM 1493 C GLU A 97 12.088 -3.771 -2.040 1.00 0.00 C ATOM 1494 O GLU A 97 12.432 -4.740 -2.693 1.00 0.00 O ATOM 1495 CB GLU A 97 13.229 -1.554 -1.327 1.00 0.00 C ATOM 1496 CG GLU A 97 14.215 -1.028 -2.378 1.00 0.00 C ATOM 1497 CD GLU A 97 13.995 -1.595 -3.757 1.00 0.00 C ATOM 1498 OE1 GLU A 97 13.869 -2.811 -3.918 1.00 0.00 O ATOM 1499 OE2 GLU A 97 13.938 -0.832 -4.735 1.00 0.00 O ATOM 0 H GLU A 97 14.287 -4.565 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 97 12.965 -3.084 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.229 -1.197 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.489 -1.130 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.136 0.058 -2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.231 -1.260 -2.058 1.00 0.00 H new ATOM 1506 N LEU A 98 10.944 -3.141 -1.847 1.00 0.00 N ATOM 1507 CA LEU A 98 9.704 -3.539 -2.468 1.00 0.00 C ATOM 1508 C LEU A 98 8.917 -2.280 -2.892 1.00 0.00 C ATOM 1509 O LEU A 98 8.765 -1.394 -2.081 1.00 0.00 O ATOM 1510 CB LEU A 98 8.988 -4.291 -1.334 1.00 0.00 C ATOM 1511 CG LEU A 98 7.720 -5.054 -1.742 1.00 0.00 C ATOM 1512 CD1 LEU A 98 7.438 -6.114 -0.702 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.565 -4.050 -1.674 1.00 0.00 C ATOM 0 H LEU A 98 10.854 -2.324 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 98 9.821 -4.145 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.690 -4.998 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.725 -3.574 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 98 7.833 -5.500 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.539 -6.665 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.282 -6.802 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.289 -5.641 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.636 -4.545 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.477 -3.665 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.759 -3.225 -2.359 1.00 0.00 H new ATOM 1525 N ILE A 99 8.497 -2.368 -4.164 1.00 0.00 N ATOM 1526 CA ILE A 99 7.745 -1.332 -4.771 1.00 0.00 C ATOM 1527 C ILE A 99 6.324 -1.529 -4.150 1.00 0.00 C ATOM 1528 O ILE A 99 6.256 -1.074 -3.035 1.00 0.00 O ATOM 1529 CB ILE A 99 7.763 -1.530 -6.305 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.185 -1.190 -6.795 1.00 0.00 C ATOM 1531 CG2 ILE A 99 6.824 -0.514 -6.921 1.00 0.00 C ATOM 1532 CD1 ILE A 99 9.445 -1.447 -8.251 1.00 0.00 C ATOM 0 H ILE A 99 8.683 -3.166 -4.772 1.00 0.00 H new ATOM 0 HA ILE A 99 8.120 -0.323 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 99 7.473 -2.546 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.379 -0.137 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.900 -1.767 -6.209 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.819 -0.633 -8.004 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.817 -0.668 -6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.160 0.492 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.473 -1.174 -8.491 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.290 -2.504 -8.467 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.761 -0.849 -8.854 1.00 0.00 H new ATOM 1544 N GLN A 100 5.419 -2.146 -4.918 1.00 0.00 N ATOM 1545 CA GLN A 100 4.047 -2.425 -4.531 1.00 0.00 C ATOM 1546 C GLN A 100 3.245 -1.883 -5.759 1.00 0.00 C ATOM 1547 O GLN A 100 2.647 -0.839 -5.653 1.00 0.00 O ATOM 1548 CB GLN A 100 3.602 -1.895 -3.188 1.00 0.00 C ATOM 1549 CG GLN A 100 4.043 -2.582 -1.899 1.00 0.00 C ATOM 1550 CD GLN A 100 2.890 -2.404 -0.871 1.00 0.00 C ATOM 1551 OE1 GLN A 100 2.877 -1.599 0.039 1.00 0.00 O ATOM 1552 NE2 GLN A 100 1.872 -3.271 -1.110 1.00 0.00 N ATOM 0 H GLN A 100 5.638 -2.473 -5.859 1.00 0.00 H new ATOM 0 HA GLN A 100 3.884 -3.485 -4.337 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.929 -0.857 -3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.512 -1.886 -3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.243 -3.639 -2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.966 -2.141 -1.523 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.933 -3.927 -1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.046 -3.266 -0.511 1.00 0.00 H new ATOM 1561 N THR A 101 3.360 -2.725 -6.784 1.00 0.00 N ATOM 1562 CA THR A 101 2.706 -2.454 -8.024 1.00 0.00 C ATOM 1563 C THR A 101 1.240 -2.857 -7.995 1.00 0.00 C ATOM 1564 O THR A 101 0.803 -3.965 -8.248 1.00 0.00 O ATOM 1565 CB THR A 101 3.332 -3.048 -9.289 1.00 0.00 C ATOM 1566 OG1 THR A 101 4.728 -2.940 -9.255 1.00 0.00 O ATOM 1567 CG2 THR A 101 2.757 -2.492 -10.599 1.00 0.00 C ATOM 0 H THR A 101 3.900 -3.590 -6.763 1.00 0.00 H new ATOM 0 HA THR A 101 2.831 -1.374 -8.103 1.00 0.00 H new ATOM 0 HB THR A 101 3.060 -4.103 -9.285 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.106 -3.327 -10.072 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.255 -2.965 -11.445 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.688 -2.700 -10.645 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.919 -1.415 -10.639 1.00 0.00 H new ATOM 1575 N TYR A 102 0.548 -1.772 -7.639 1.00 0.00 N ATOM 1576 CA TYR A 102 -0.899 -2.051 -7.572 1.00 0.00 C ATOM 1577 C TYR A 102 -1.334 -2.294 -9.031 1.00 0.00 C ATOM 1578 O TYR A 102 -1.079 -1.436 -9.832 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.699 -0.916 -6.997 1.00 0.00 C ATOM 1580 CG TYR A 102 -1.420 -0.540 -5.598 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -1.808 -1.294 -4.507 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -0.723 0.630 -5.314 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -1.491 -0.857 -3.237 1.00 0.00 C ATOM 1584 CE2 TYR A 102 -0.437 1.022 -4.020 1.00 0.00 C ATOM 1585 CZ TYR A 102 -0.794 0.327 -3.098 1.00 0.00 C ATOM 1586 OH TYR A 102 -0.489 0.748 -1.825 1.00 0.00 O ATOM 0 H TYR A 102 0.886 -0.834 -7.423 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.079 -2.901 -6.914 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.538 -0.038 -7.622 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.755 -1.173 -7.074 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.354 -2.216 -4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.394 1.253 -6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.782 -1.430 -2.369 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.100 1.940 -3.835 1.00 0.00 H new ATOM 0 HH TYR A 102 0.004 1.594 -1.869 1.00 0.00 H new ATOM 1596 N THR A 103 -1.955 -3.481 -9.184 1.00 0.00 N ATOM 1597 CA THR A 103 -2.445 -3.887 -10.498 1.00 0.00 C ATOM 1598 C THR A 103 -3.947 -3.596 -10.375 1.00 0.00 C ATOM 1599 O THR A 103 -4.808 -4.421 -10.198 1.00 0.00 O ATOM 1600 CB THR A 103 -2.089 -5.334 -10.748 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.696 -5.538 -10.980 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.737 -6.006 -11.949 1.00 0.00 C ATOM 0 H THR A 103 -2.121 -4.151 -8.433 1.00 0.00 H new ATOM 0 HA THR A 103 -2.016 -3.371 -11.357 1.00 0.00 H new ATOM 0 HB THR A 103 -2.460 -5.773 -9.822 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.567 -5.932 -11.868 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.398 -7.040 -12.014 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.821 -5.986 -11.836 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.457 -5.474 -12.858 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.143 -2.257 -10.499 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.466 -1.682 -10.424 1.00 0.00 C ATOM 1612 C TYR A 104 -6.145 -1.455 -11.744 1.00 0.00 C ATOM 1613 O TYR A 104 -5.796 -0.589 -12.540 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.327 -0.423 -9.517 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.423 0.556 -9.605 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -6.486 1.437 -10.660 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -7.439 0.671 -8.666 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -7.509 2.372 -10.759 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -8.418 1.636 -8.858 1.00 0.00 C ATOM 1620 CZ TYR A 104 -8.386 2.476 -9.958 1.00 0.00 C ATOM 1621 OH TYR A 104 -9.356 3.437 -10.156 1.00 0.00 O ATOM 0 H TYR A 104 -3.394 -1.581 -10.649 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.166 -2.392 -9.983 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.242 -0.752 -8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.394 0.081 -9.769 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.726 1.401 -11.426 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.467 0.022 -7.803 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.510 3.041 -11.607 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.217 1.733 -8.138 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.005 3.403 -9.423 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.169 -2.303 -11.950 1.00 0.00 N ATOM 1632 CA GLU A 105 -7.988 -2.287 -13.151 1.00 0.00 C ATOM 1633 C GLU A 105 -7.176 -2.264 -14.436 1.00 0.00 C ATOM 1634 O GLU A 105 -7.620 -1.588 -15.365 1.00 0.00 O ATOM 1635 CB GLU A 105 -8.886 -1.051 -13.056 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.096 -1.396 -12.149 1.00 0.00 C ATOM 1637 CD GLU A 105 -11.405 -0.845 -12.662 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -11.861 -1.425 -13.666 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -11.921 0.098 -12.077 1.00 0.00 O ATOM 0 H GLU A 105 -7.444 -3.019 -11.277 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.568 -3.209 -13.200 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.330 -0.209 -12.644 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.227 -0.753 -14.047 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.176 -2.479 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.913 -1.006 -11.148 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.043 -2.990 -14.424 1.00 0.00 N ATOM 1647 CA GLY A 106 -5.304 -2.938 -15.667 1.00 0.00 C ATOM 1648 C GLY A 106 -4.138 -1.971 -15.649 1.00 0.00 C ATOM 1649 O GLY A 106 -3.279 -1.971 -16.549 1.00 0.00 O ATOM 0 H GLY A 106 -5.664 -3.551 -13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.932 -3.936 -15.899 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -5.984 -2.657 -16.471 1.00 0.00 H new ATOM 1653 N VAL A 107 -4.138 -1.138 -14.594 1.00 0.00 N ATOM 1654 CA VAL A 107 -3.138 -0.129 -14.356 1.00 0.00 C ATOM 1655 C VAL A 107 -2.046 -0.589 -13.400 1.00 0.00 C ATOM 1656 O VAL A 107 -2.394 -1.115 -12.360 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.808 1.134 -13.805 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.994 2.409 -13.947 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -5.102 1.424 -14.567 1.00 0.00 C ATOM 0 H VAL A 107 -4.861 -1.163 -13.875 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.657 0.078 -15.312 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.949 0.907 -12.748 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.553 3.246 -13.528 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.050 2.299 -13.413 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.794 2.598 -15.002 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.567 2.324 -14.165 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.877 1.573 -15.623 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.786 0.582 -14.457 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.794 -0.342 -13.863 1.00 0.00 N ATOM 1670 CA GLU A 108 0.339 -0.738 -13.031 1.00 0.00 C ATOM 1671 C GLU A 108 0.697 0.437 -12.137 1.00 0.00 C ATOM 1672 O GLU A 108 1.729 1.041 -12.391 1.00 0.00 O ATOM 1673 CB GLU A 108 1.502 -1.152 -13.918 1.00 0.00 C ATOM 1674 CG GLU A 108 1.034 -2.406 -14.709 1.00 0.00 C ATOM 1675 CD GLU A 108 1.707 -2.490 -16.057 1.00 0.00 C ATOM 1676 OE1 GLU A 108 1.569 -1.532 -16.812 1.00 0.00 O ATOM 1677 OE2 GLU A 108 2.347 -3.500 -16.310 1.00 0.00 O ATOM 0 H GLU A 108 -0.564 0.102 -14.752 1.00 0.00 H new ATOM 0 HA GLU A 108 0.090 -1.594 -12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.777 -0.346 -14.598 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.384 -1.379 -13.319 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.256 -3.305 -14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.047 -2.371 -14.842 1.00 0.00 H new ATOM 1684 N ALA A 109 -0.166 0.710 -11.136 1.00 0.00 N ATOM 1685 CA ALA A 109 0.240 1.837 -10.341 1.00 0.00 C ATOM 1686 C ALA A 109 1.132 1.391 -9.161 1.00 0.00 C ATOM 1687 O ALA A 109 0.569 0.879 -8.238 1.00 0.00 O ATOM 1688 CB ALA A 109 -1.050 2.255 -9.635 1.00 0.00 C ATOM 0 H ALA A 109 -1.032 0.228 -10.894 1.00 0.00 H new ATOM 0 HA ALA A 109 0.747 2.575 -10.962 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.853 3.116 -8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.802 2.520 -10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.416 1.428 -9.027 1.00 0.00 H new ATOM 1694 N LYS A 110 2.407 1.671 -9.402 1.00 0.00 N ATOM 1695 CA LYS A 110 3.308 1.294 -8.375 1.00 0.00 C ATOM 1696 C LYS A 110 3.770 2.515 -7.599 1.00 0.00 C ATOM 1697 O LYS A 110 3.918 3.570 -8.203 1.00 0.00 O ATOM 1698 CB LYS A 110 4.594 0.620 -8.918 1.00 0.00 C ATOM 1699 CG LYS A 110 4.682 0.846 -10.423 1.00 0.00 C ATOM 1700 CD LYS A 110 5.889 0.131 -11.096 1.00 0.00 C ATOM 1701 CE LYS A 110 6.263 0.641 -12.473 1.00 0.00 C ATOM 1702 NZ LYS A 110 7.613 0.225 -12.898 1.00 0.00 N ATOM 0 H LYS A 110 2.797 2.119 -10.231 1.00 0.00 H new ATOM 0 HA LYS A 110 2.757 0.591 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.473 1.035 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.580 -0.448 -8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.760 0.497 -10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.752 1.916 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.757 0.228 -10.443 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.664 -0.933 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.533 0.280 -13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.206 1.730 -12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.811 0.604 -13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.317 0.591 -12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.665 -0.813 -12.923 1.00 0.00 H new ATOM 1716 N ARG A 111 3.937 2.189 -6.315 1.00 0.00 N ATOM 1717 CA ARG A 111 4.384 3.260 -5.393 1.00 0.00 C ATOM 1718 C ARG A 111 5.590 2.531 -4.726 1.00 0.00 C ATOM 1719 O ARG A 111 5.438 1.504 -4.106 1.00 0.00 O ATOM 1720 CB ARG A 111 3.329 3.695 -4.420 1.00 0.00 C ATOM 1721 CG ARG A 111 1.927 3.704 -5.046 1.00 0.00 C ATOM 1722 CD ARG A 111 1.074 4.759 -4.369 1.00 0.00 C ATOM 1723 NE ARG A 111 1.072 4.418 -2.945 1.00 0.00 N ATOM 1724 CZ ARG A 111 0.228 4.953 -2.074 1.00 0.00 C ATOM 1725 NH1 ARG A 111 -0.664 5.860 -2.523 1.00 0.00 N ATOM 1726 NH2 ARG A 111 0.264 4.601 -0.792 1.00 0.00 N ATOM 0 H ARG A 111 3.786 1.268 -5.903 1.00 0.00 H new ATOM 0 HA ARG A 111 4.628 4.208 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.335 3.028 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.567 4.693 -4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.996 3.909 -6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.464 2.723 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.483 5.756 -4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.061 4.761 -4.772 1.00 0.00 H new ATOM 0 HE ARG A 111 1.752 3.737 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -0.677 6.117 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.326 6.288 -1.876 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.946 3.913 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.390 5.019 -0.130 1.00 0.00 H new ATOM 1740 N ILE A 112 6.713 3.233 -4.983 1.00 0.00 N ATOM 1741 CA ILE A 112 7.898 2.653 -4.421 1.00 0.00 C ATOM 1742 C ILE A 112 8.066 2.942 -2.919 1.00 0.00 C ATOM 1743 O ILE A 112 7.822 4.084 -2.564 1.00 0.00 O ATOM 1744 CB ILE A 112 9.129 2.950 -5.280 1.00 0.00 C ATOM 1745 CG1 ILE A 112 9.562 4.427 -5.189 1.00 0.00 C ATOM 1746 CG2 ILE A 112 8.932 2.723 -6.767 1.00 0.00 C ATOM 1747 CD1 ILE A 112 11.018 4.691 -5.571 1.00 0.00 C ATOM 0 H ILE A 112 6.805 4.099 -5.514 1.00 0.00 H new ATOM 0 HA ILE A 112 7.778 1.570 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 112 9.866 2.257 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.917 5.021 -5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.399 4.777 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.855 2.958 -7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.668 1.680 -6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.131 3.367 -7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.232 5.756 -5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.676 4.129 -4.908 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.187 4.377 -6.601 1.00 0.00 H new ATOM 1759 N PHE A 113 8.457 1.833 -2.331 1.00 0.00 N ATOM 1760 CA PHE A 113 8.725 1.729 -0.925 1.00 0.00 C ATOM 1761 C PHE A 113 10.140 1.170 -0.796 1.00 0.00 C ATOM 1762 O PHE A 113 10.726 0.991 -1.853 1.00 0.00 O ATOM 1763 CB PHE A 113 7.714 0.860 -0.185 1.00 0.00 C ATOM 1764 CG PHE A 113 6.367 1.498 0.024 1.00 0.00 C ATOM 1765 CD1 PHE A 113 6.178 2.880 -0.046 1.00 0.00 C ATOM 1766 CD2 PHE A 113 5.244 0.742 0.293 1.00 0.00 C ATOM 1767 CE1 PHE A 113 4.918 3.401 0.152 1.00 0.00 C ATOM 1768 CE2 PHE A 113 4.009 1.367 0.477 1.00 0.00 C ATOM 1769 CZ PHE A 113 3.858 2.568 0.416 1.00 0.00 C ATOM 0 H PHE A 113 8.599 0.959 -2.837 1.00 0.00 H new ATOM 0 HA PHE A 113 8.638 2.711 -0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.579 -0.068 -0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.128 0.592 0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.012 3.534 -0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.321 -0.333 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 113 4.763 4.469 0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.147 0.750 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 113 2.876 2.989 0.571 1.00 0.00 H new ATOM 1779 N LYS A 114 10.531 0.968 0.474 1.00 0.00 N ATOM 1780 CA LYS A 114 11.857 0.455 0.683 1.00 0.00 C ATOM 1781 C LYS A 114 12.231 0.331 2.155 1.00 0.00 C ATOM 1782 O LYS A 114 12.229 1.132 3.056 1.00 0.00 O ATOM 1783 CB LYS A 114 12.869 1.371 -0.019 1.00 0.00 C ATOM 1784 CG LYS A 114 12.448 2.840 0.025 1.00 0.00 C ATOM 1785 CD LYS A 114 12.009 3.203 1.459 1.00 0.00 C ATOM 1786 CE LYS A 114 11.487 4.658 1.660 1.00 0.00 C ATOM 1787 NZ LYS A 114 10.572 5.124 0.668 1.00 0.00 N ATOM 0 H LYS A 114 9.975 1.144 1.311 1.00 0.00 H new ATOM 0 HA LYS A 114 11.878 -0.551 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 114 13.845 1.261 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 114 12.980 1.058 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 114 13.276 3.477 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.630 3.017 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.225 2.510 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 114 12.854 3.044 2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.003 4.720 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.343 5.332 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 10.285 6.098 0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.031 5.103 -0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.732 4.510 0.654 1.00 0.00 H new ATOM 1801 N LYS A 115 12.660 -0.916 2.409 1.00 0.00 N ATOM 1802 CA LYS A 115 13.113 -1.382 3.688 1.00 0.00 C ATOM 1803 C LYS A 115 13.993 -0.445 4.496 1.00 0.00 C ATOM 1804 O LYS A 115 13.764 0.050 5.568 1.00 0.00 O ATOM 1805 CB LYS A 115 13.828 -2.731 3.446 1.00 0.00 C ATOM 1806 CG LYS A 115 14.042 -3.352 4.834 1.00 0.00 C ATOM 1807 CD LYS A 115 15.015 -4.536 4.686 1.00 0.00 C ATOM 1808 CE LYS A 115 14.381 -5.915 4.675 1.00 0.00 C ATOM 1809 NZ LYS A 115 15.221 -6.918 4.060 1.00 0.00 N ATOM 0 H LYS A 115 12.694 -1.638 1.689 1.00 0.00 H new ATOM 0 HA LYS A 115 12.227 -1.467 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.225 -3.384 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 115 14.779 -2.582 2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.447 -2.611 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.093 -3.690 5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.576 -4.407 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.735 -4.494 5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.158 -6.214 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.431 -5.868 4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.736 -7.838 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.414 -6.652 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.118 -6.987 4.582 1.00 0.00 H new ATOM 1823 N GLU A 116 15.155 -0.215 3.815 1.00 0.00 N ATOM 1824 CA GLU A 116 16.161 0.650 4.374 1.00 0.00 C ATOM 1825 C GLU A 116 17.149 1.180 3.329 1.00 0.00 C ATOM 1826 O GLU A 116 17.165 0.772 2.180 1.00 0.00 O ATOM 1827 CB GLU A 116 16.894 -0.242 5.425 1.00 0.00 C ATOM 1828 CG GLU A 116 18.312 0.103 5.789 1.00 0.00 C ATOM 1829 CD GLU A 116 18.819 -0.631 7.054 1.00 0.00 C ATOM 1830 OE1 GLU A 116 18.582 -0.156 8.162 1.00 0.00 O ATOM 1831 OE2 GLU A 116 19.463 -1.693 6.942 1.00 0.00 O ATOM 1832 OXT GLU A 116 17.932 2.047 3.695 1.00 0.00 O ATOM 0 H GLU A 116 15.386 -0.618 2.907 1.00 0.00 H new ATOM 0 HA GLU A 116 15.711 1.545 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 116 16.303 -0.230 6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.886 -1.267 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 116 18.964 -0.142 4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 116 18.387 1.179 5.948 1.00 0.00 H new