USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 753 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 Single : A 4 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.88) USER MOD Single : A 6 THR OG1 : rot -160:sc= -0.493 USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.0459 (180deg=-0.349) USER MOD Single : A 14 ASN : amide:sc= -7.97! C(o=-8!,f=-4.2!) USER MOD Single : A 16 GLN : amide:sc= -3! C(o=-3!,f=-3.3!) USER MOD Single : A 19 ASN : amide:sc= -0.13 K(o=-0.13,f=-7.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= 0.737 (180deg=0.0331) USER MOD Single : A 26 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.82) USER MOD Single : A 36 SER OG : rot -15:sc= -5.28! USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 45 THR OG1 : rot 19:sc= -1.28! USER MOD Single : A 49 LYS NZ :NH3+ -119:sc= -2.18! (180deg=-4.77!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -4.62! K(o=-4.6!,f=-2.4) USER MOD Single : A 63 GLN : amide:sc= -9.05! C(o=-9.1!,f=-6.6!) USER MOD Single : A 66 SER OG : rot 150:sc= 0 USER MOD Single : A 67 TYR OH : rot -15:sc= -0.0625 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.2) USER MOD Single : A 82 GLN : amide:sc= -5.19! C(o=-5.2!,f=-4.7!) USER MOD Single : A 84 GLN : amide:sc= -1.43! K(o=-1.4!,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.944 K(o=-0.94,f=-7.1!) USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -0.0814 (180deg=-0.595) USER MOD Single : A 88 ASN : amide:sc= -0.18 K(o=-0.18,f=-0.97) USER MOD Single : A 89 SER OG : rot -55:sc= -0.694 USER MOD Single : A 90 SER OG : rot 180:sc= -0.527 USER MOD Single : A 93 LYS NZ :NH3+ 144:sc= 0.112 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -8.066 11.865 -12.416 1.00 0.00 N ATOM 36 CA PRO A 3 -8.272 10.828 -11.365 1.00 0.00 C ATOM 37 C PRO A 3 -8.389 11.437 -9.965 1.00 0.00 C ATOM 38 O PRO A 3 -7.949 12.542 -9.717 1.00 0.00 O ATOM 39 CB PRO A 3 -7.029 9.936 -11.487 1.00 0.00 C ATOM 40 CG PRO A 3 -5.967 10.832 -12.047 1.00 0.00 C ATOM 41 CD PRO A 3 -6.687 11.853 -12.935 1.00 0.00 C ATOM 0 HA PRO A 3 -9.204 10.280 -11.504 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.735 9.533 -10.518 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.215 9.086 -12.143 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.418 11.331 -11.248 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.240 10.260 -12.624 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.226 12.838 -12.866 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.658 11.560 -13.985 1.00 0.00 H new ATOM 49 N GLN A 4 -8.989 10.724 -9.053 1.00 0.00 N ATOM 50 CA GLN A 4 -9.145 11.258 -7.675 1.00 0.00 C ATOM 51 C GLN A 4 -7.833 11.081 -6.909 1.00 0.00 C ATOM 52 O GLN A 4 -7.416 9.975 -6.610 1.00 0.00 O ATOM 53 CB GLN A 4 -10.271 10.491 -6.970 1.00 0.00 C ATOM 54 CG GLN A 4 -10.507 11.070 -5.572 1.00 0.00 C ATOM 55 CD GLN A 4 -10.975 12.520 -5.693 1.00 0.00 C ATOM 56 OE1 GLN A 4 -11.737 12.853 -6.580 1.00 0.00 O ATOM 57 NE2 GLN A 4 -10.547 13.404 -4.835 1.00 0.00 N ATOM 0 H GLN A 4 -9.378 9.793 -9.204 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.394 12.319 -7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.187 10.553 -7.557 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.011 9.435 -6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.254 10.478 -5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.589 11.021 -4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.908 13.125 -4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.852 14.375 -4.908 1.00 0.00 H new ATOM 66 N LEU A 5 -7.175 12.167 -6.592 1.00 0.00 N ATOM 67 CA LEU A 5 -5.886 12.082 -5.852 1.00 0.00 C ATOM 68 C LEU A 5 -6.152 12.117 -4.351 1.00 0.00 C ATOM 69 O LEU A 5 -6.855 12.977 -3.858 1.00 0.00 O ATOM 70 CB LEU A 5 -5.015 13.281 -6.231 1.00 0.00 C ATOM 71 CG LEU A 5 -4.851 13.336 -7.753 1.00 0.00 C ATOM 72 CD1 LEU A 5 -4.022 14.567 -8.132 1.00 0.00 C ATOM 73 CD2 LEU A 5 -4.145 12.062 -8.251 1.00 0.00 C ATOM 0 H LEU A 5 -7.480 13.114 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.379 11.152 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.471 14.203 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.039 13.200 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.834 13.402 -8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.905 14.607 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.530 15.468 -7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.040 14.503 -7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.032 12.108 -9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.162 11.986 -7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.741 11.189 -7.985 1.00 0.00 H new ATOM 85 N THR A 6 -5.590 11.183 -3.625 1.00 0.00 N ATOM 86 CA THR A 6 -5.791 11.128 -2.142 1.00 0.00 C ATOM 87 C THR A 6 -4.433 11.156 -1.447 1.00 0.00 C ATOM 88 O THR A 6 -3.480 10.549 -1.894 1.00 0.00 O ATOM 89 CB THR A 6 -6.536 9.848 -1.778 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.801 9.851 -2.425 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.735 9.788 -0.267 1.00 0.00 C ATOM 0 H THR A 6 -4.993 10.446 -4.001 1.00 0.00 H new ATOM 0 HA THR A 6 -6.378 11.987 -1.818 1.00 0.00 H new ATOM 0 HB THR A 6 -5.960 8.980 -2.099 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.402 9.225 -1.970 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.267 8.873 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.764 9.797 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.316 10.651 0.058 1.00 0.00 H new ATOM 99 N LYS A 7 -4.335 11.875 -0.361 1.00 0.00 N ATOM 100 CA LYS A 7 -3.040 11.974 0.365 1.00 0.00 C ATOM 101 C LYS A 7 -2.944 10.867 1.414 1.00 0.00 C ATOM 102 O LYS A 7 -3.917 10.491 2.031 1.00 0.00 O ATOM 103 CB LYS A 7 -2.973 13.333 1.065 1.00 0.00 C ATOM 104 CG LYS A 7 -3.171 14.459 0.042 1.00 0.00 C ATOM 105 CD LYS A 7 -1.974 14.515 -0.919 1.00 0.00 C ATOM 106 CE LYS A 7 -1.946 15.870 -1.623 1.00 0.00 C ATOM 107 NZ LYS A 7 -1.485 16.914 -0.666 1.00 0.00 N ATOM 0 H LYS A 7 -5.103 12.401 0.056 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.217 11.869 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.740 13.392 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.010 13.448 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.091 14.293 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.279 15.414 0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.046 14.360 -0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.047 13.713 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.280 15.831 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.939 16.118 -1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.095 17.721 -1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.288 17.234 -0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.749 16.517 -0.047 1.00 0.00 H new ATOM 121 N ILE A 8 -1.767 10.349 1.614 1.00 0.00 N ATOM 122 CA ILE A 8 -1.576 9.266 2.622 1.00 0.00 C ATOM 123 C ILE A 8 -2.152 9.709 3.971 1.00 0.00 C ATOM 124 O ILE A 8 -2.793 8.946 4.669 1.00 0.00 O ATOM 125 CB ILE A 8 -0.076 8.981 2.768 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.689 10.306 2.869 1.00 0.00 C ATOM 127 CG2 ILE A 8 0.421 8.200 1.552 1.00 0.00 C ATOM 128 CD1 ILE A 8 2.176 10.033 3.078 1.00 0.00 C ATOM 0 H ILE A 8 -0.920 10.630 1.119 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.092 8.363 2.296 1.00 0.00 H new ATOM 0 HB ILE A 8 0.092 8.392 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.542 10.891 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.299 10.899 3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.487 7.999 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.120 7.257 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.251 8.786 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.713 10.979 3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.316 9.466 3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.562 9.459 2.236 1.00 0.00 H new ATOM 140 N VAL A 9 -1.924 10.936 4.334 1.00 0.00 N ATOM 141 CA VAL A 9 -2.443 11.457 5.629 1.00 0.00 C ATOM 142 C VAL A 9 -3.966 11.592 5.554 1.00 0.00 C ATOM 143 O VAL A 9 -4.633 11.802 6.547 1.00 0.00 O ATOM 144 CB VAL A 9 -1.816 12.824 5.907 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.257 13.819 4.834 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.263 13.328 7.281 1.00 0.00 C ATOM 0 H VAL A 9 -1.393 11.611 3.783 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.185 10.767 6.433 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.730 12.729 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.809 14.792 5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.934 13.465 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.343 13.910 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.814 14.302 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.349 13.419 7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.945 12.623 8.049 1.00 0.00 H new ATOM 156 N ASP A 10 -4.521 11.466 4.376 1.00 0.00 N ATOM 157 CA ASP A 10 -6.002 11.577 4.214 1.00 0.00 C ATOM 158 C ASP A 10 -6.617 10.176 4.208 1.00 0.00 C ATOM 159 O ASP A 10 -7.799 10.009 3.976 1.00 0.00 O ATOM 160 CB ASP A 10 -6.307 12.276 2.887 1.00 0.00 C ATOM 161 CG ASP A 10 -7.817 12.456 2.733 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.384 13.218 3.498 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.379 11.828 1.852 1.00 0.00 O ATOM 0 H ASP A 10 -4.007 11.290 3.513 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.423 12.153 5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.810 13.246 2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.915 11.688 2.057 1.00 0.00 H new ATOM 168 N ILE A 11 -5.824 9.167 4.466 1.00 0.00 N ATOM 169 CA ILE A 11 -6.357 7.774 4.480 1.00 0.00 C ATOM 170 C ILE A 11 -6.892 7.433 5.873 1.00 0.00 C ATOM 171 O ILE A 11 -6.166 7.444 6.847 1.00 0.00 O ATOM 172 CB ILE A 11 -5.230 6.799 4.110 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.814 7.030 2.652 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.713 5.356 4.287 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.566 6.201 2.335 1.00 0.00 C ATOM 0 H ILE A 11 -4.828 9.250 4.668 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.169 7.691 3.758 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.375 6.971 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.628 6.751 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.612 8.088 2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.909 4.668 4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.003 5.194 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.571 5.177 3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.273 6.367 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.752 6.501 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.784 5.144 2.486 1.00 0.00 H new ATOM 187 N VAL A 12 -8.160 7.120 5.973 1.00 0.00 N ATOM 188 CA VAL A 12 -8.745 6.762 7.301 1.00 0.00 C ATOM 189 C VAL A 12 -9.847 5.717 7.108 1.00 0.00 C ATOM 190 O VAL A 12 -10.532 5.353 8.041 1.00 0.00 O ATOM 191 CB VAL A 12 -9.313 8.015 7.982 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.159 8.837 8.559 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.075 8.869 6.962 1.00 0.00 C ATOM 0 H VAL A 12 -8.815 7.097 5.192 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.965 6.345 7.938 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.995 7.713 8.777 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.555 9.729 9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.615 8.238 9.289 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.484 9.131 7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.474 9.755 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.398 9.172 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.896 8.288 6.541 1.00 0.00 H new ATOM 203 N GLU A 13 -10.012 5.226 5.903 1.00 0.00 N ATOM 204 CA GLU A 13 -11.059 4.188 5.629 1.00 0.00 C ATOM 205 C GLU A 13 -10.437 3.037 4.830 1.00 0.00 C ATOM 206 O GLU A 13 -9.801 3.246 3.816 1.00 0.00 O ATOM 207 CB GLU A 13 -12.202 4.816 4.830 1.00 0.00 C ATOM 208 CG GLU A 13 -12.969 5.790 5.727 1.00 0.00 C ATOM 209 CD GLU A 13 -14.051 6.496 4.908 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.162 6.198 3.731 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.748 7.323 5.472 1.00 0.00 O ATOM 0 H GLU A 13 -9.462 5.502 5.090 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.449 3.803 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.808 5.339 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.872 4.040 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.422 5.253 6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.285 6.523 6.154 1.00 0.00 H new ATOM 218 N ASN A 14 -10.607 1.821 5.290 1.00 0.00 N ATOM 219 CA ASN A 14 -10.020 0.651 4.579 1.00 0.00 C ATOM 220 C ASN A 14 -11.005 0.130 3.531 1.00 0.00 C ATOM 221 O ASN A 14 -12.207 0.227 3.688 1.00 0.00 O ATOM 222 CB ASN A 14 -9.717 -0.453 5.600 1.00 0.00 C ATOM 223 CG ASN A 14 -9.374 -1.752 4.871 1.00 0.00 C ATOM 224 OD1 ASN A 14 -9.687 -2.828 5.339 1.00 0.00 O ATOM 225 ND2 ASN A 14 -8.745 -1.697 3.734 1.00 0.00 N ATOM 0 H ASN A 14 -11.132 1.591 6.134 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.100 0.952 4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.886 -0.153 6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -10.578 -0.606 6.250 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.515 -2.557 3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.482 -0.794 3.340 1.00 0.00 H new ATOM 232 N GLY A 15 -10.494 -0.433 2.467 1.00 0.00 N ATOM 233 CA GLY A 15 -11.382 -0.975 1.405 1.00 0.00 C ATOM 234 C GLY A 15 -11.862 0.162 0.512 1.00 0.00 C ATOM 235 O GLY A 15 -12.871 0.049 -0.156 1.00 0.00 O ATOM 0 H GLY A 15 -9.495 -0.539 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.846 -1.716 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.235 -1.483 1.854 1.00 0.00 H new ATOM 239 N GLN A 16 -11.147 1.259 0.494 1.00 0.00 N ATOM 240 CA GLN A 16 -11.551 2.422 -0.354 1.00 0.00 C ATOM 241 C GLN A 16 -10.670 2.485 -1.602 1.00 0.00 C ATOM 242 O GLN A 16 -9.539 2.028 -1.603 1.00 0.00 O ATOM 243 CB GLN A 16 -11.394 3.712 0.453 1.00 0.00 C ATOM 244 CG GLN A 16 -9.943 3.862 0.908 1.00 0.00 C ATOM 245 CD GLN A 16 -9.800 5.113 1.779 1.00 0.00 C ATOM 246 OE1 GLN A 16 -8.984 5.149 2.678 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.562 6.147 1.550 1.00 0.00 N ATOM 0 H GLN A 16 -10.294 1.400 1.035 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.591 2.305 -0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.685 4.569 -0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.056 3.694 1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.635 2.980 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.286 3.934 0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.248 6.118 0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.472 6.984 2.126 1.00 0.00 H new ATOM 256 N TRP A 17 -11.190 3.051 -2.665 1.00 0.00 N ATOM 257 CA TRP A 17 -10.414 3.163 -3.939 1.00 0.00 C ATOM 258 C TRP A 17 -9.917 4.600 -4.108 1.00 0.00 C ATOM 259 O TRP A 17 -10.661 5.551 -3.963 1.00 0.00 O ATOM 260 CB TRP A 17 -11.324 2.794 -5.111 1.00 0.00 C ATOM 261 CG TRP A 17 -11.620 1.330 -5.064 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.748 0.778 -4.560 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.796 0.223 -5.531 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.669 -0.598 -4.689 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.485 -0.988 -5.283 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.532 0.154 -6.141 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.937 -2.225 -5.628 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.977 -1.088 -6.491 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.679 -2.275 -6.234 1.00 0.00 C ATOM 0 H TRP A 17 -12.130 3.444 -2.703 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.559 2.488 -3.912 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.251 3.366 -5.061 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.842 3.049 -6.055 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.575 1.322 -4.128 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.396 -1.244 -4.383 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.983 1.062 -6.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.481 -3.136 -5.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.005 -1.129 -6.960 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.247 -3.227 -6.504 1.00 0.00 H new ATOM 280 N ALA A 18 -8.664 4.761 -4.426 1.00 0.00 N ATOM 281 CA ALA A 18 -8.112 6.129 -4.621 1.00 0.00 C ATOM 282 C ALA A 18 -6.823 6.057 -5.437 1.00 0.00 C ATOM 283 O ALA A 18 -6.370 4.992 -5.801 1.00 0.00 O ATOM 284 CB ALA A 18 -7.822 6.768 -3.268 1.00 0.00 C ATOM 0 H ALA A 18 -7.996 4.002 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.845 6.733 -5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.418 7.769 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.744 6.831 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.096 6.161 -2.727 1.00 0.00 H new ATOM 290 N ASN A 19 -6.223 7.192 -5.715 1.00 0.00 N ATOM 291 CA ASN A 19 -4.945 7.213 -6.499 1.00 0.00 C ATOM 292 C ASN A 19 -3.862 7.868 -5.655 1.00 0.00 C ATOM 293 O ASN A 19 -4.134 8.781 -4.898 1.00 0.00 O ATOM 294 CB ASN A 19 -5.147 8.023 -7.775 1.00 0.00 C ATOM 295 CG ASN A 19 -6.291 7.406 -8.580 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.184 6.297 -9.063 1.00 0.00 O ATOM 297 ND2 ASN A 19 -7.396 8.077 -8.734 1.00 0.00 N ATOM 0 H ASN A 19 -6.566 8.110 -5.431 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.652 6.195 -6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.375 9.060 -7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.231 8.029 -8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.170 7.671 -9.260 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.488 9.009 -8.329 1.00 0.00 H new ATOM 304 N LEU A 20 -2.635 7.412 -5.768 1.00 0.00 N ATOM 305 CA LEU A 20 -1.528 8.012 -4.962 1.00 0.00 C ATOM 306 C LEU A 20 -0.287 8.207 -5.835 1.00 0.00 C ATOM 307 O LEU A 20 0.126 7.317 -6.556 1.00 0.00 O ATOM 308 CB LEU A 20 -1.178 7.079 -3.797 1.00 0.00 C ATOM 309 CG LEU A 20 -0.004 7.665 -2.992 1.00 0.00 C ATOM 310 CD1 LEU A 20 -0.368 9.072 -2.481 1.00 0.00 C ATOM 311 CD2 LEU A 20 0.307 6.746 -1.807 1.00 0.00 C ATOM 0 H LEU A 20 -2.355 6.649 -6.385 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.856 8.978 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.046 6.950 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.913 6.092 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 20 0.874 7.739 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.468 9.480 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.582 9.723 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.247 9.010 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.138 7.158 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.571 6.669 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.576 5.756 -2.175 1.00 0.00 H new ATOM 323 N LYS A 21 0.321 9.365 -5.747 1.00 0.00 N ATOM 324 CA LYS A 21 1.560 9.659 -6.533 1.00 0.00 C ATOM 325 C LYS A 21 2.705 9.937 -5.556 1.00 0.00 C ATOM 326 O LYS A 21 2.568 10.696 -4.617 1.00 0.00 O ATOM 327 CB LYS A 21 1.319 10.881 -7.414 1.00 0.00 C ATOM 328 CG LYS A 21 2.569 11.148 -8.254 1.00 0.00 C ATOM 329 CD LYS A 21 2.289 12.263 -9.270 1.00 0.00 C ATOM 330 CE LYS A 21 2.038 13.585 -8.541 1.00 0.00 C ATOM 331 NZ LYS A 21 2.202 14.716 -9.494 1.00 0.00 N ATOM 0 H LYS A 21 0.005 10.132 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 21 1.817 8.810 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.459 10.713 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.088 11.749 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.398 11.434 -7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.869 10.238 -8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.135 12.368 -9.949 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.422 12.003 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.033 13.594 -8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.735 13.692 -7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.032 15.615 -8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.169 14.710 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.520 14.615 -10.273 1.00 0.00 H new ATOM 345 N ALA A 22 3.833 9.320 -5.772 1.00 0.00 N ATOM 346 CA ALA A 22 4.985 9.539 -4.854 1.00 0.00 C ATOM 347 C ALA A 22 6.242 8.850 -5.386 1.00 0.00 C ATOM 348 O ALA A 22 6.279 8.329 -6.482 1.00 0.00 O ATOM 349 CB ALA A 22 4.651 8.981 -3.464 1.00 0.00 C ATOM 0 H ALA A 22 4.007 8.675 -6.543 1.00 0.00 H new ATOM 0 HA ALA A 22 5.173 10.611 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.496 9.143 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.772 9.491 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.448 7.913 -3.540 1.00 0.00 H new ATOM 355 N LYS A 23 7.271 8.866 -4.586 1.00 0.00 N ATOM 356 CA LYS A 23 8.575 8.232 -4.980 1.00 0.00 C ATOM 357 C LYS A 23 8.928 7.100 -4.021 1.00 0.00 C ATOM 358 O LYS A 23 8.483 7.064 -2.891 1.00 0.00 O ATOM 359 CB LYS A 23 9.686 9.277 -4.982 1.00 0.00 C ATOM 360 CG LYS A 23 9.734 9.981 -3.625 1.00 0.00 C ATOM 361 CD LYS A 23 11.057 10.732 -3.480 1.00 0.00 C ATOM 362 CE LYS A 23 11.113 11.885 -4.482 1.00 0.00 C ATOM 363 NZ LYS A 23 12.254 12.778 -4.144 1.00 0.00 N ATOM 0 H LYS A 23 7.270 9.296 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 23 8.471 7.820 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.645 8.802 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.512 10.005 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.899 10.676 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.629 9.251 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.158 11.116 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.892 10.052 -3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.228 11.497 -5.494 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.179 12.446 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.090 13.720 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.337 12.859 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.133 12.380 -4.532 1.00 0.00 H new ATOM 377 N VAL A 24 9.725 6.164 -4.472 1.00 0.00 N ATOM 378 CA VAL A 24 10.102 5.015 -3.594 1.00 0.00 C ATOM 379 C VAL A 24 11.374 5.347 -2.807 1.00 0.00 C ATOM 380 O VAL A 24 12.465 5.355 -3.340 1.00 0.00 O ATOM 381 CB VAL A 24 10.339 3.781 -4.464 1.00 0.00 C ATOM 382 CG1 VAL A 24 10.823 2.619 -3.595 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.028 3.387 -5.149 1.00 0.00 C ATOM 0 H VAL A 24 10.130 6.146 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 24 9.296 4.819 -2.887 1.00 0.00 H new ATOM 0 HB VAL A 24 11.096 4.009 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.990 1.742 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.755 2.897 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.069 2.389 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.193 2.507 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.276 3.162 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.681 4.211 -5.772 1.00 0.00 H new ATOM 393 N ILE A 25 11.226 5.618 -1.539 1.00 0.00 N ATOM 394 CA ILE A 25 12.411 5.946 -0.696 1.00 0.00 C ATOM 395 C ILE A 25 13.229 4.682 -0.427 1.00 0.00 C ATOM 396 O ILE A 25 14.421 4.742 -0.196 1.00 0.00 O ATOM 397 CB ILE A 25 11.945 6.545 0.630 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.959 5.591 1.313 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.260 7.889 0.365 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.679 6.074 2.736 1.00 0.00 C ATOM 0 H ILE A 25 10.332 5.626 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 25 13.034 6.668 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 25 12.805 6.695 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.030 5.544 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.370 4.582 1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.926 8.320 1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.965 8.568 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.401 7.737 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.978 5.394 3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.610 6.098 3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.249 7.075 2.702 1.00 0.00 H new ATOM 412 N GLN A 26 12.603 3.539 -0.463 1.00 0.00 N ATOM 413 CA GLN A 26 13.345 2.275 -0.220 1.00 0.00 C ATOM 414 C GLN A 26 12.553 1.102 -0.801 1.00 0.00 C ATOM 415 O GLN A 26 11.338 1.117 -0.840 1.00 0.00 O ATOM 416 CB GLN A 26 13.524 2.072 1.282 1.00 0.00 C ATOM 417 CG GLN A 26 14.402 0.847 1.543 1.00 0.00 C ATOM 418 CD GLN A 26 15.819 1.108 1.027 1.00 0.00 C ATOM 419 OE1 GLN A 26 16.354 0.330 0.263 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.455 2.178 1.419 1.00 0.00 N ATOM 0 H GLN A 26 11.607 3.427 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 26 14.323 2.328 -0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.980 2.957 1.725 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.552 1.941 1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.428 0.627 2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.980 -0.027 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.006 2.832 2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.401 2.361 1.084 1.00 0.00 H new ATOM 429 N LEU A 27 13.245 0.088 -1.250 1.00 0.00 N ATOM 430 CA LEU A 27 12.571 -1.117 -1.841 1.00 0.00 C ATOM 431 C LEU A 27 13.038 -2.377 -1.122 1.00 0.00 C ATOM 432 O LEU A 27 14.144 -2.444 -0.615 1.00 0.00 O ATOM 433 CB LEU A 27 12.918 -1.222 -3.336 1.00 0.00 C ATOM 434 CG LEU A 27 14.387 -1.654 -3.527 1.00 0.00 C ATOM 435 CD1 LEU A 27 14.695 -1.762 -5.015 1.00 0.00 C ATOM 436 CD2 LEU A 27 15.321 -0.623 -2.867 1.00 0.00 C ATOM 0 H LEU A 27 14.264 0.039 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 27 11.492 -1.015 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.257 -1.942 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.751 -0.261 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 27 14.545 -2.625 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.733 -2.067 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.037 -2.502 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.536 -0.794 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.358 -0.931 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 27 15.169 0.353 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.099 -0.560 -1.802 1.00 0.00 H new ATOM 448 N TRP A 28 12.210 -3.386 -1.087 1.00 0.00 N ATOM 449 CA TRP A 28 12.605 -4.659 -0.420 1.00 0.00 C ATOM 450 C TRP A 28 12.038 -5.849 -1.205 1.00 0.00 C ATOM 451 O TRP A 28 10.844 -6.011 -1.332 1.00 0.00 O ATOM 452 CB TRP A 28 12.067 -4.660 1.025 1.00 0.00 C ATOM 453 CG TRP A 28 13.106 -5.198 1.952 1.00 0.00 C ATOM 454 CD1 TRP A 28 13.816 -4.456 2.825 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.573 -6.568 2.099 1.00 0.00 C ATOM 456 NE1 TRP A 28 14.686 -5.281 3.508 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.574 -6.595 3.097 1.00 0.00 C ATOM 458 CE3 TRP A 28 13.228 -7.778 1.472 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.209 -7.781 3.462 1.00 0.00 C ATOM 460 CZ3 TRP A 28 13.867 -8.976 1.838 1.00 0.00 C ATOM 461 CH2 TRP A 28 14.855 -8.975 2.832 1.00 0.00 C ATOM 0 H TRP A 28 11.274 -3.383 -1.493 1.00 0.00 H new ATOM 0 HA TRP A 28 13.691 -4.745 -0.396 1.00 0.00 H new ATOM 0 HB2 TRP A 28 11.792 -3.648 1.321 1.00 0.00 H new ATOM 0 HB3 TRP A 28 11.163 -5.267 1.086 1.00 0.00 H new ATOM 0 HD1 TRP A 28 13.720 -3.390 2.967 1.00 0.00 H new ATOM 0 HE1 TRP A 28 15.333 -4.960 4.228 1.00 0.00 H new ATOM 0 HE3 TRP A 28 12.468 -7.788 0.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.970 -7.776 4.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 13.595 -9.901 1.351 1.00 0.00 H new ATOM 0 HH2 TRP A 28 15.342 -9.898 3.110 1.00 0.00 H new ATOM 472 N GLU A 29 12.897 -6.678 -1.720 1.00 0.00 N ATOM 473 CA GLU A 29 12.424 -7.866 -2.493 1.00 0.00 C ATOM 474 C GLU A 29 12.352 -9.077 -1.567 1.00 0.00 C ATOM 475 O GLU A 29 13.318 -9.430 -0.921 1.00 0.00 O ATOM 476 CB GLU A 29 13.390 -8.148 -3.643 1.00 0.00 C ATOM 477 CG GLU A 29 13.350 -6.988 -4.655 1.00 0.00 C ATOM 478 CD GLU A 29 14.251 -5.843 -4.176 1.00 0.00 C ATOM 479 OE1 GLU A 29 14.755 -5.933 -3.070 1.00 0.00 O ATOM 480 OE2 GLU A 29 14.415 -4.894 -4.927 1.00 0.00 O ATOM 0 H GLU A 29 13.910 -6.588 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 29 11.434 -7.665 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.402 -8.272 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.120 -9.082 -4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.680 -7.337 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.327 -6.632 -4.772 1.00 0.00 H new ATOM 558 N ILE A 35 3.599 -12.610 -0.977 1.00 0.00 N ATOM 559 CA ILE A 35 4.212 -11.266 -1.079 1.00 0.00 C ATOM 560 C ILE A 35 5.351 -11.301 -2.091 1.00 0.00 C ATOM 561 O ILE A 35 6.200 -12.172 -2.062 1.00 0.00 O ATOM 562 CB ILE A 35 4.764 -10.867 0.292 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.614 -10.783 1.297 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.445 -9.505 0.184 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.177 -10.672 2.715 1.00 0.00 C ATOM 0 HA ILE A 35 3.463 -10.543 -1.403 1.00 0.00 H new ATOM 0 HB ILE A 35 5.486 -11.611 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.987 -9.919 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.981 -11.666 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.840 -9.217 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.262 -9.563 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.721 -8.761 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.356 -10.612 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.786 -11.549 2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.792 -9.775 2.793 1.00 0.00 H new ATOM 577 N SER A 36 5.368 -10.356 -2.990 1.00 0.00 N ATOM 578 CA SER A 36 6.439 -10.306 -4.027 1.00 0.00 C ATOM 579 C SER A 36 7.475 -9.246 -3.654 1.00 0.00 C ATOM 580 O SER A 36 8.673 -9.474 -3.718 1.00 0.00 O ATOM 581 CB SER A 36 5.807 -9.938 -5.369 1.00 0.00 C ATOM 582 OG SER A 36 4.589 -10.654 -5.518 1.00 0.00 O ATOM 0 H SER A 36 4.678 -9.607 -3.052 1.00 0.00 H new ATOM 0 HA SER A 36 6.928 -11.278 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.621 -8.865 -5.416 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.488 -10.180 -6.185 1.00 0.00 H new ATOM 0 HG SER A 36 4.555 -11.381 -4.862 1.00 0.00 H new ATOM 588 N GLN A 37 7.032 -8.079 -3.268 1.00 0.00 N ATOM 589 CA GLN A 37 7.998 -7.004 -2.911 1.00 0.00 C ATOM 590 C GLN A 37 7.402 -6.105 -1.832 1.00 0.00 C ATOM 591 O GLN A 37 6.208 -5.888 -1.778 1.00 0.00 O ATOM 592 CB GLN A 37 8.284 -6.163 -4.157 1.00 0.00 C ATOM 593 CG GLN A 37 9.428 -5.194 -3.864 1.00 0.00 C ATOM 594 CD GLN A 37 9.703 -4.340 -5.101 1.00 0.00 C ATOM 595 OE1 GLN A 37 8.787 -3.854 -5.735 1.00 0.00 O ATOM 596 NE2 GLN A 37 10.936 -4.137 -5.476 1.00 0.00 N ATOM 0 H GLN A 37 6.047 -7.826 -3.185 1.00 0.00 H new ATOM 0 HA GLN A 37 8.918 -7.454 -2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.547 -6.810 -4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.391 -5.611 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.171 -4.556 -3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.325 -5.747 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.705 -4.545 -4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.131 -3.570 -6.301 1.00 0.00 H new ATOM 605 N VAL A 38 8.241 -5.569 -0.981 1.00 0.00 N ATOM 606 CA VAL A 38 7.765 -4.660 0.103 1.00 0.00 C ATOM 607 C VAL A 38 8.609 -3.388 0.080 1.00 0.00 C ATOM 608 O VAL A 38 9.821 -3.443 0.046 1.00 0.00 O ATOM 609 CB VAL A 38 7.919 -5.356 1.463 1.00 0.00 C ATOM 610 CG1 VAL A 38 7.009 -4.672 2.486 1.00 0.00 C ATOM 611 CG2 VAL A 38 7.530 -6.832 1.330 1.00 0.00 C ATOM 0 H VAL A 38 9.249 -5.726 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 38 6.715 -4.413 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 38 8.955 -5.287 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.115 -5.163 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.290 -3.623 2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.973 -4.742 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.640 -7.326 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.494 -6.907 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.179 -7.315 0.600 1.00 0.00 H new ATOM 621 N GLY A 39 7.986 -2.241 0.096 1.00 0.00 N ATOM 622 CA GLY A 39 8.772 -0.974 0.071 1.00 0.00 C ATOM 623 C GLY A 39 7.980 0.149 0.734 1.00 0.00 C ATOM 624 O GLY A 39 6.994 -0.080 1.407 1.00 0.00 O ATOM 0 H GLY A 39 6.973 -2.126 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.720 -1.115 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.008 -0.704 -0.958 1.00 0.00 H new ATOM 628 N LEU A 40 8.425 1.365 0.553 1.00 0.00 N ATOM 629 CA LEU A 40 7.734 2.535 1.174 1.00 0.00 C ATOM 630 C LEU A 40 7.601 3.654 0.153 1.00 0.00 C ATOM 631 O LEU A 40 8.423 3.793 -0.729 1.00 0.00 O ATOM 632 CB LEU A 40 8.555 3.035 2.359 1.00 0.00 C ATOM 633 CG LEU A 40 8.715 1.904 3.410 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.021 1.131 3.164 1.00 0.00 C ATOM 635 CD2 LEU A 40 8.748 2.508 4.819 1.00 0.00 C ATOM 0 H LEU A 40 9.246 1.600 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 40 6.743 2.231 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.536 3.367 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.066 3.897 2.812 1.00 0.00 H new ATOM 0 HG LEU A 40 7.870 1.222 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.122 0.341 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.001 0.691 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.868 1.813 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.860 1.711 5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.589 3.197 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.819 3.046 5.006 1.00 0.00 H new ATOM 647 N LEU A 41 6.576 4.462 0.273 1.00 0.00 N ATOM 648 CA LEU A 41 6.379 5.590 -0.687 1.00 0.00 C ATOM 649 C LEU A 41 6.608 6.904 0.049 1.00 0.00 C ATOM 650 O LEU A 41 5.995 7.174 1.066 1.00 0.00 O ATOM 651 CB LEU A 41 4.952 5.537 -1.229 1.00 0.00 C ATOM 652 CG LEU A 41 4.696 4.158 -1.848 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.244 4.077 -2.323 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.645 3.931 -3.041 1.00 0.00 C ATOM 0 H LEU A 41 5.864 4.387 0.999 1.00 0.00 H new ATOM 0 HA LEU A 41 7.081 5.511 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.239 5.726 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.805 6.317 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 41 4.879 3.388 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.059 3.097 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.575 4.225 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.062 4.850 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.456 2.949 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.473 4.700 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.679 3.984 -2.699 1.00 0.00 H new ATOM 666 N GLY A 42 7.496 7.720 -0.464 1.00 0.00 N ATOM 667 CA GLY A 42 7.801 9.033 0.185 1.00 0.00 C ATOM 668 C GLY A 42 7.141 10.163 -0.599 1.00 0.00 C ATOM 669 O GLY A 42 7.364 10.314 -1.784 1.00 0.00 O ATOM 0 H GLY A 42 8.028 7.530 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.441 9.033 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.879 9.187 0.225 1.00 0.00 H new ATOM 673 N ASP A 43 6.342 10.964 0.058 1.00 0.00 N ATOM 674 CA ASP A 43 5.664 12.107 -0.630 1.00 0.00 C ATOM 675 C ASP A 43 5.974 13.398 0.123 1.00 0.00 C ATOM 676 O ASP A 43 7.103 13.658 0.487 1.00 0.00 O ATOM 677 CB ASP A 43 4.153 11.874 -0.642 1.00 0.00 C ATOM 678 CG ASP A 43 3.612 11.911 0.786 1.00 0.00 C ATOM 679 OD1 ASP A 43 4.409 12.025 1.702 1.00 0.00 O ATOM 680 OD2 ASP A 43 2.409 11.827 0.935 1.00 0.00 O ATOM 0 H ASP A 43 6.128 10.875 1.051 1.00 0.00 H new ATOM 0 HA ASP A 43 6.024 12.183 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.663 12.638 -1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.928 10.911 -1.101 1.00 0.00 H new ATOM 685 N GLU A 44 4.971 14.209 0.349 1.00 0.00 N ATOM 686 CA GLU A 44 5.165 15.502 1.070 1.00 0.00 C ATOM 687 C GLU A 44 4.314 15.512 2.339 1.00 0.00 C ATOM 688 O GLU A 44 4.549 16.282 3.249 1.00 0.00 O ATOM 689 CB GLU A 44 4.721 16.641 0.155 1.00 0.00 C ATOM 690 CG GLU A 44 4.992 17.984 0.834 1.00 0.00 C ATOM 691 CD GLU A 44 4.596 19.120 -0.108 1.00 0.00 C ATOM 692 OE1 GLU A 44 4.400 18.850 -1.282 1.00 0.00 O ATOM 693 OE2 GLU A 44 4.495 20.242 0.361 1.00 0.00 O ATOM 0 H GLU A 44 4.010 14.025 0.059 1.00 0.00 H new ATOM 0 HA GLU A 44 6.214 15.624 1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.256 16.588 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.659 16.545 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.427 18.054 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.047 18.065 1.095 1.00 0.00 H new ATOM 700 N THR A 45 3.325 14.657 2.418 1.00 0.00 N ATOM 701 CA THR A 45 2.463 14.623 3.634 1.00 0.00 C ATOM 702 C THR A 45 3.009 13.590 4.616 1.00 0.00 C ATOM 703 O THR A 45 2.604 13.540 5.761 1.00 0.00 O ATOM 704 CB THR A 45 1.035 14.242 3.228 1.00 0.00 C ATOM 705 OG1 THR A 45 1.074 13.133 2.345 1.00 0.00 O ATOM 706 CG2 THR A 45 0.368 15.427 2.524 1.00 0.00 C ATOM 0 H THR A 45 3.079 13.983 1.693 1.00 0.00 H new ATOM 0 HA THR A 45 2.458 15.604 4.109 1.00 0.00 H new ATOM 0 HB THR A 45 0.464 13.980 4.119 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.938 12.678 2.429 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.647 15.155 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.336 16.281 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.939 15.690 1.634 1.00 0.00 H new ATOM 714 N GLY A 46 3.942 12.773 4.195 1.00 0.00 N ATOM 715 CA GLY A 46 4.523 11.765 5.125 1.00 0.00 C ATOM 716 C GLY A 46 5.005 10.544 4.342 1.00 0.00 C ATOM 717 O GLY A 46 5.513 10.654 3.245 1.00 0.00 O ATOM 0 H GLY A 46 4.324 12.763 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.354 12.204 5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.776 11.464 5.860 1.00 0.00 H new ATOM 721 N ILE A 47 4.857 9.375 4.909 1.00 0.00 N ATOM 722 CA ILE A 47 5.311 8.132 4.214 1.00 0.00 C ATOM 723 C ILE A 47 4.308 7.009 4.474 1.00 0.00 C ATOM 724 O ILE A 47 3.563 7.037 5.433 1.00 0.00 O ATOM 725 CB ILE A 47 6.691 7.716 4.743 1.00 0.00 C ATOM 726 CG1 ILE A 47 7.582 8.954 4.907 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.346 6.751 3.751 1.00 0.00 C ATOM 728 CD1 ILE A 47 8.937 8.531 5.475 1.00 0.00 C ATOM 0 H ILE A 47 4.439 9.226 5.828 1.00 0.00 H new ATOM 0 HA ILE A 47 5.378 8.323 3.143 1.00 0.00 H new ATOM 0 HB ILE A 47 6.571 7.227 5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.717 9.449 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.105 9.674 5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.326 6.455 4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.719 5.867 3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.460 7.244 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.572 9.409 5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.792 8.055 6.445 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.414 7.827 4.793 1.00 0.00 H new ATOM 740 N ILE A 48 4.290 6.013 3.625 1.00 0.00 N ATOM 741 CA ILE A 48 3.344 4.876 3.821 1.00 0.00 C ATOM 742 C ILE A 48 3.961 3.586 3.277 1.00 0.00 C ATOM 743 O ILE A 48 4.684 3.593 2.300 1.00 0.00 O ATOM 744 CB ILE A 48 2.034 5.173 3.097 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.067 4.009 3.311 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.295 5.360 1.602 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.333 4.424 2.865 1.00 0.00 C ATOM 0 H ILE A 48 4.891 5.939 2.804 1.00 0.00 H new ATOM 0 HA ILE A 48 3.146 4.750 4.885 1.00 0.00 H new ATOM 0 HB ILE A 48 1.598 6.089 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.398 3.138 2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.055 3.720 4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.355 5.572 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.983 6.192 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.733 4.450 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.024 3.595 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.662 5.282 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.314 4.691 1.808 1.00 0.00 H new ATOM 759 N LYS A 49 3.684 2.478 3.910 1.00 0.00 N ATOM 760 CA LYS A 49 4.253 1.178 3.448 1.00 0.00 C ATOM 761 C LYS A 49 3.289 0.501 2.478 1.00 0.00 C ATOM 762 O LYS A 49 2.120 0.335 2.780 1.00 0.00 O ATOM 763 CB LYS A 49 4.441 0.266 4.659 1.00 0.00 C ATOM 764 CG LYS A 49 5.470 0.881 5.606 1.00 0.00 C ATOM 765 CD LYS A 49 5.590 0.017 6.861 1.00 0.00 C ATOM 766 CE LYS A 49 6.512 0.706 7.867 1.00 0.00 C ATOM 767 NZ LYS A 49 7.907 0.712 7.343 1.00 0.00 N ATOM 0 H LYS A 49 3.084 2.417 4.733 1.00 0.00 H new ATOM 0 HA LYS A 49 5.205 1.359 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.491 0.130 5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.772 -0.721 4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.437 0.956 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.171 1.894 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.606 -0.141 7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.985 -0.966 6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.175 1.727 8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.475 0.187 8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.525 0.186 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.928 0.261 6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.243 1.693 7.263 1.00 0.00 H new ATOM 781 N PHE A 50 3.756 0.117 1.308 1.00 0.00 N ATOM 782 CA PHE A 50 2.859 -0.549 0.313 1.00 0.00 C ATOM 783 C PHE A 50 3.452 -1.914 -0.046 1.00 0.00 C ATOM 784 O PHE A 50 4.650 -2.124 0.038 1.00 0.00 O ATOM 785 CB PHE A 50 2.766 0.329 -0.949 1.00 0.00 C ATOM 786 CG PHE A 50 4.009 0.166 -1.806 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.242 0.659 -1.358 1.00 0.00 C ATOM 788 CD2 PHE A 50 3.926 -0.484 -3.042 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.389 0.496 -2.147 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.070 -0.642 -3.828 1.00 0.00 C ATOM 791 CZ PHE A 50 6.301 -0.156 -3.384 1.00 0.00 C ATOM 0 H PHE A 50 4.722 0.238 1.003 1.00 0.00 H new ATOM 0 HA PHE A 50 1.861 -0.682 0.732 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.882 0.055 -1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.649 1.374 -0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.308 1.164 -0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.976 -0.864 -3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.340 0.873 -1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.002 -1.142 -4.783 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.184 -0.282 -3.993 1.00 0.00 H new ATOM 801 N THR A 51 2.613 -2.837 -0.431 1.00 0.00 N ATOM 802 CA THR A 51 3.089 -4.208 -0.791 1.00 0.00 C ATOM 803 C THR A 51 2.488 -4.624 -2.128 1.00 0.00 C ATOM 804 O THR A 51 1.306 -4.470 -2.367 1.00 0.00 O ATOM 805 CB THR A 51 2.657 -5.192 0.295 1.00 0.00 C ATOM 806 OG1 THR A 51 3.215 -4.788 1.537 1.00 0.00 O ATOM 807 CG2 THR A 51 3.158 -6.588 -0.061 1.00 0.00 C ATOM 0 H THR A 51 1.606 -2.700 -0.513 1.00 0.00 H new ATOM 0 HA THR A 51 4.176 -4.208 -0.872 1.00 0.00 H new ATOM 0 HB THR A 51 1.570 -5.206 0.370 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.940 -5.415 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.851 -7.293 0.712 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.735 -6.893 -1.018 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.246 -6.577 -0.131 1.00 0.00 H new ATOM 815 N ILE A 52 3.301 -5.153 -3.009 1.00 0.00 N ATOM 816 CA ILE A 52 2.800 -5.586 -4.348 1.00 0.00 C ATOM 817 C ILE A 52 2.595 -7.100 -4.364 1.00 0.00 C ATOM 818 O ILE A 52 3.478 -7.866 -4.019 1.00 0.00 O ATOM 819 CB ILE A 52 3.823 -5.205 -5.412 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.994 -3.681 -5.439 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.342 -5.686 -6.779 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.205 -3.300 -6.303 1.00 0.00 C ATOM 0 H ILE A 52 4.298 -5.304 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 52 1.849 -5.094 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 52 4.779 -5.673 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.093 -3.213 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.128 -3.304 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.074 -5.413 -7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.223 -6.769 -6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.385 -5.219 -7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.317 -2.216 -6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.105 -3.753 -5.888 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.054 -3.660 -7.321 1.00 0.00 H new ATOM 834 N TRP A 53 1.423 -7.534 -4.748 1.00 0.00 N ATOM 835 CA TRP A 53 1.136 -8.993 -4.775 1.00 0.00 C ATOM 836 C TRP A 53 1.673 -9.611 -6.067 1.00 0.00 C ATOM 837 O TRP A 53 1.612 -9.019 -7.125 1.00 0.00 O ATOM 838 CB TRP A 53 -0.378 -9.203 -4.701 1.00 0.00 C ATOM 839 CG TRP A 53 -0.889 -8.642 -3.415 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.710 -7.571 -3.304 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.615 -9.090 -2.059 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.962 -7.340 -1.964 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.309 -8.249 -1.156 1.00 0.00 C ATOM 844 CE3 TRP A 53 0.159 -10.137 -1.528 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.237 -8.442 0.223 1.00 0.00 C ATOM 846 CZ3 TRP A 53 0.234 -10.332 -0.141 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.461 -9.487 0.734 1.00 0.00 C ATOM 0 H TRP A 53 0.652 -6.936 -5.045 1.00 0.00 H new ATOM 0 HA TRP A 53 1.622 -9.473 -3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.867 -8.715 -5.544 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.614 -10.265 -4.767 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.103 -6.992 -4.127 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.558 -6.589 -1.615 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.699 -10.795 -2.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.777 -7.789 0.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.832 -11.139 0.255 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.398 -9.642 1.801 1.00 0.00 H new ATOM 858 N LYS A 54 2.192 -10.808 -5.982 1.00 0.00 N ATOM 859 CA LYS A 54 2.735 -11.492 -7.189 1.00 0.00 C ATOM 860 C LYS A 54 1.636 -11.615 -8.245 1.00 0.00 C ATOM 861 O LYS A 54 1.883 -11.491 -9.429 1.00 0.00 O ATOM 862 CB LYS A 54 3.215 -12.895 -6.787 1.00 0.00 C ATOM 863 CG LYS A 54 4.168 -13.446 -7.849 1.00 0.00 C ATOM 864 CD LYS A 54 4.731 -14.789 -7.377 1.00 0.00 C ATOM 865 CE LYS A 54 5.692 -15.339 -8.431 1.00 0.00 C ATOM 866 NZ LYS A 54 6.263 -16.633 -7.958 1.00 0.00 N ATOM 0 H LYS A 54 2.263 -11.345 -5.118 1.00 0.00 H new ATOM 0 HA LYS A 54 3.565 -10.917 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.719 -12.853 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.360 -13.562 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.642 -13.572 -8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.980 -12.741 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.250 -14.664 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.919 -15.496 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.168 -15.484 -9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.492 -14.623 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.917 -17.007 -8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.777 -16.481 -7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.494 -17.315 -7.801 1.00 0.00 H new ATOM 880 N ASN A 55 0.428 -11.862 -7.825 1.00 0.00 N ATOM 881 CA ASN A 55 -0.687 -12.004 -8.797 1.00 0.00 C ATOM 882 C ASN A 55 -0.842 -10.711 -9.602 1.00 0.00 C ATOM 883 O ASN A 55 -1.616 -10.644 -10.536 1.00 0.00 O ATOM 884 CB ASN A 55 -1.982 -12.292 -8.034 1.00 0.00 C ATOM 885 CG ASN A 55 -2.131 -11.294 -6.884 1.00 0.00 C ATOM 886 OD1 ASN A 55 -2.192 -11.681 -5.733 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.190 -10.017 -7.147 1.00 0.00 N ATOM 0 H ASN A 55 0.165 -11.972 -6.846 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.472 -12.825 -9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.837 -12.218 -8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.969 -13.311 -7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.287 -9.344 -6.387 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.139 -9.692 -8.113 1.00 0.00 H new ATOM 894 N ALA A 56 -0.106 -9.687 -9.255 1.00 0.00 N ATOM 895 CA ALA A 56 -0.203 -8.402 -10.010 1.00 0.00 C ATOM 896 C ALA A 56 0.787 -8.430 -11.180 1.00 0.00 C ATOM 897 O ALA A 56 0.559 -7.838 -12.217 1.00 0.00 O ATOM 898 CB ALA A 56 0.142 -7.241 -9.071 1.00 0.00 C ATOM 0 H ALA A 56 0.558 -9.685 -8.481 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.215 -8.271 -10.394 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.073 -6.300 -9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.558 -7.229 -8.235 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.156 -7.368 -8.693 1.00 0.00 H new ATOM 904 N GLU A 57 1.883 -9.125 -11.013 1.00 0.00 N ATOM 905 CA GLU A 57 2.904 -9.218 -12.095 1.00 0.00 C ATOM 906 C GLU A 57 3.174 -7.838 -12.671 1.00 0.00 C ATOM 907 O GLU A 57 3.120 -7.634 -13.871 1.00 0.00 O ATOM 908 CB GLU A 57 2.407 -10.156 -13.199 1.00 0.00 C ATOM 909 CG GLU A 57 2.287 -11.577 -12.642 1.00 0.00 C ATOM 910 CD GLU A 57 3.675 -12.098 -12.255 1.00 0.00 C ATOM 911 OE1 GLU A 57 4.649 -11.543 -12.739 1.00 0.00 O ATOM 912 OE2 GLU A 57 3.741 -13.035 -11.477 1.00 0.00 O ATOM 0 H GLU A 57 2.115 -9.637 -10.162 1.00 0.00 H new ATOM 0 HA GLU A 57 3.829 -9.616 -11.679 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.441 -9.817 -13.572 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.097 -10.141 -14.042 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.630 -11.583 -11.772 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.836 -12.233 -13.387 1.00 0.00 H new ATOM 919 N LEU A 58 3.470 -6.883 -11.821 1.00 0.00 N ATOM 920 CA LEU A 58 3.749 -5.503 -12.306 1.00 0.00 C ATOM 921 C LEU A 58 5.266 -5.260 -12.344 1.00 0.00 C ATOM 922 O LEU A 58 6.008 -5.854 -11.584 1.00 0.00 O ATOM 923 CB LEU A 58 3.103 -4.488 -11.365 1.00 0.00 C ATOM 924 CG LEU A 58 1.611 -4.805 -11.222 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.016 -3.942 -10.111 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.877 -4.523 -12.546 1.00 0.00 C ATOM 0 H LEU A 58 3.529 -7.005 -10.810 1.00 0.00 H new ATOM 0 HA LEU A 58 3.337 -5.389 -13.309 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.588 -4.520 -10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.236 -3.479 -11.754 1.00 0.00 H new ATOM 0 HG LEU A 58 1.492 -5.859 -10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.046 -4.165 -10.006 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.526 -4.156 -9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.143 -2.889 -10.361 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.182 -4.752 -12.431 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.994 -3.472 -12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.299 -5.145 -13.336 1.00 0.00 H new ATOM 938 N PRO A 59 5.732 -4.378 -13.205 1.00 0.00 N ATOM 939 CA PRO A 59 7.190 -4.051 -13.312 1.00 0.00 C ATOM 940 C PRO A 59 7.794 -3.578 -11.978 1.00 0.00 C ATOM 941 O PRO A 59 7.127 -2.980 -11.156 1.00 0.00 O ATOM 942 CB PRO A 59 7.246 -2.911 -14.352 1.00 0.00 C ATOM 943 CG PRO A 59 5.964 -2.995 -15.120 1.00 0.00 C ATOM 944 CD PRO A 59 4.932 -3.614 -14.185 1.00 0.00 C ATOM 0 HA PRO A 59 7.769 -4.931 -13.594 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.347 -1.941 -13.864 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.106 -3.026 -15.012 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.644 -2.006 -15.449 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.089 -3.604 -16.016 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.330 -2.848 -13.695 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.244 -4.262 -14.727 1.00 0.00 H new ATOM 952 N LEU A 60 9.053 -3.857 -11.764 1.00 0.00 N ATOM 953 CA LEU A 60 9.716 -3.449 -10.494 1.00 0.00 C ATOM 954 C LEU A 60 9.902 -1.932 -10.454 1.00 0.00 C ATOM 955 O LEU A 60 10.228 -1.303 -11.443 1.00 0.00 O ATOM 956 CB LEU A 60 11.081 -4.132 -10.405 1.00 0.00 C ATOM 957 CG LEU A 60 10.907 -5.647 -10.566 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.281 -6.320 -10.536 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.037 -6.200 -9.424 1.00 0.00 C ATOM 0 H LEU A 60 9.654 -4.354 -12.421 1.00 0.00 H new ATOM 0 HA LEU A 60 9.092 -3.747 -9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.743 -3.747 -11.180 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.549 -3.909 -9.446 1.00 0.00 H new ATOM 0 HG LEU A 60 10.418 -5.854 -11.518 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.161 -7.397 -10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.893 -5.935 -11.352 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.769 -6.108 -9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.918 -7.277 -9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.518 -5.994 -8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.058 -5.722 -9.448 1.00 0.00 H new ATOM 971 N LEU A 61 9.688 -1.348 -9.306 1.00 0.00 N ATOM 972 CA LEU A 61 9.834 0.127 -9.160 1.00 0.00 C ATOM 973 C LEU A 61 11.303 0.486 -8.926 1.00 0.00 C ATOM 974 O LEU A 61 12.059 -0.280 -8.364 1.00 0.00 O ATOM 975 CB LEU A 61 8.998 0.595 -7.971 1.00 0.00 C ATOM 976 CG LEU A 61 7.517 0.603 -8.358 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.087 -0.805 -8.798 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.681 1.042 -7.153 1.00 0.00 C ATOM 0 H LEU A 61 9.415 -1.837 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 61 9.490 0.618 -10.071 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.158 -0.065 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.310 1.593 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 61 7.362 1.298 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.032 -0.794 -9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.682 -1.115 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.241 -1.506 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.626 1.049 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.838 0.347 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.983 2.043 -6.846 1.00 0.00 H new ATOM 990 N GLU A 62 11.710 1.655 -9.354 1.00 0.00 N ATOM 991 CA GLU A 62 13.131 2.085 -9.167 1.00 0.00 C ATOM 992 C GLU A 62 13.244 3.011 -7.955 1.00 0.00 C ATOM 993 O GLU A 62 12.523 3.979 -7.820 1.00 0.00 O ATOM 994 CB GLU A 62 13.593 2.818 -10.423 1.00 0.00 C ATOM 995 CG GLU A 62 13.702 1.816 -11.572 1.00 0.00 C ATOM 996 CD GLU A 62 14.058 2.552 -12.863 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.249 3.755 -12.803 1.00 0.00 O ATOM 998 OE2 GLU A 62 14.133 1.899 -13.891 1.00 0.00 O ATOM 0 H GLU A 62 11.115 2.335 -9.828 1.00 0.00 H new ATOM 0 HA GLU A 62 13.759 1.210 -8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.887 3.609 -10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.557 3.296 -10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.463 1.069 -11.346 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.759 1.283 -11.694 1.00 0.00 H new ATOM 1005 N GLN A 63 14.144 2.700 -7.067 1.00 0.00 N ATOM 1006 CA GLN A 63 14.318 3.530 -5.841 1.00 0.00 C ATOM 1007 C GLN A 63 14.845 4.919 -6.199 1.00 0.00 C ATOM 1008 O GLN A 63 15.730 5.070 -7.019 1.00 0.00 O ATOM 1009 CB GLN A 63 15.300 2.840 -4.889 1.00 0.00 C ATOM 1010 CG GLN A 63 15.137 3.402 -3.469 1.00 0.00 C ATOM 1011 CD GLN A 63 15.603 4.859 -3.438 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.599 5.204 -4.042 1.00 0.00 O ATOM 1013 NE2 GLN A 63 14.916 5.736 -2.754 1.00 0.00 N ATOM 0 H GLN A 63 14.773 1.900 -7.137 1.00 0.00 H new ATOM 0 HA GLN A 63 13.348 3.640 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.122 1.765 -4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.322 2.993 -5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.094 3.336 -3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.718 2.809 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.080 5.446 -2.247 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.216 6.710 -2.727 1.00 0.00 H new ATOM 1022 N GLY A 64 14.311 5.936 -5.570 1.00 0.00 N ATOM 1023 CA GLY A 64 14.770 7.323 -5.844 1.00 0.00 C ATOM 1024 C GLY A 64 13.996 7.894 -7.027 1.00 0.00 C ATOM 1025 O GLY A 64 14.076 9.072 -7.315 1.00 0.00 O ATOM 0 H GLY A 64 13.570 5.859 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.620 7.947 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.838 7.327 -6.059 1.00 0.00 H new ATOM 1029 N GLU A 65 13.260 7.070 -7.725 1.00 0.00 N ATOM 1030 CA GLU A 65 12.487 7.556 -8.905 1.00 0.00 C ATOM 1031 C GLU A 65 11.030 7.821 -8.524 1.00 0.00 C ATOM 1032 O GLU A 65 10.512 7.298 -7.547 1.00 0.00 O ATOM 1033 CB GLU A 65 12.544 6.499 -10.008 1.00 0.00 C ATOM 1034 CG GLU A 65 13.986 6.351 -10.502 1.00 0.00 C ATOM 1035 CD GLU A 65 14.423 7.638 -11.203 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.553 8.400 -11.592 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.618 7.841 -11.337 1.00 0.00 O ATOM 0 H GLU A 65 13.161 6.074 -7.527 1.00 0.00 H new ATOM 0 HA GLU A 65 12.927 8.489 -9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.178 5.544 -9.630 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.893 6.785 -10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.649 6.139 -9.663 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.061 5.508 -11.188 1.00 0.00 H new ATOM 1044 N SER A 66 10.372 8.642 -9.304 1.00 0.00 N ATOM 1045 CA SER A 66 8.945 8.980 -9.037 1.00 0.00 C ATOM 1046 C SER A 66 8.039 8.008 -9.796 1.00 0.00 C ATOM 1047 O SER A 66 8.356 7.574 -10.889 1.00 0.00 O ATOM 1048 CB SER A 66 8.665 10.407 -9.499 1.00 0.00 C ATOM 1049 OG SER A 66 9.254 11.315 -8.580 1.00 0.00 O ATOM 0 H SER A 66 10.771 9.097 -10.125 1.00 0.00 H new ATOM 0 HA SER A 66 8.746 8.900 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.071 10.566 -10.498 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.590 10.578 -9.561 1.00 0.00 H new ATOM 0 HG SER A 66 9.512 12.135 -9.050 1.00 0.00 H new ATOM 1055 N TYR A 67 6.909 7.667 -9.229 1.00 0.00 N ATOM 1056 CA TYR A 67 5.971 6.726 -9.912 1.00 0.00 C ATOM 1057 C TYR A 67 4.533 7.165 -9.671 1.00 0.00 C ATOM 1058 O TYR A 67 4.198 7.717 -8.640 1.00 0.00 O ATOM 1059 CB TYR A 67 6.164 5.310 -9.360 1.00 0.00 C ATOM 1060 CG TYR A 67 7.404 4.695 -9.962 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.381 4.247 -11.288 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.570 4.569 -9.200 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.525 3.673 -11.852 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.713 3.994 -9.765 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.691 3.547 -11.091 1.00 0.00 C ATOM 1066 OH TYR A 67 10.819 2.981 -11.648 1.00 0.00 O ATOM 0 H TYR A 67 6.595 8.002 -8.318 1.00 0.00 H new ATOM 0 HA TYR A 67 6.180 6.733 -10.982 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.252 5.341 -8.274 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.293 4.697 -9.592 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.480 4.345 -11.875 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.588 4.915 -8.177 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.508 3.327 -12.875 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.614 3.895 -9.177 1.00 0.00 H new ATOM 0 HH TYR A 67 10.576 2.512 -12.474 1.00 0.00 H new ATOM 1076 N LEU A 68 3.682 6.898 -10.625 1.00 0.00 N ATOM 1077 CA LEU A 68 2.241 7.262 -10.499 1.00 0.00 C ATOM 1078 C LEU A 68 1.434 5.980 -10.348 1.00 0.00 C ATOM 1079 O LEU A 68 1.578 5.058 -11.128 1.00 0.00 O ATOM 1080 CB LEU A 68 1.796 8.029 -11.750 1.00 0.00 C ATOM 1081 CG LEU A 68 0.290 8.320 -11.683 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.048 9.084 -10.392 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.107 9.165 -12.893 1.00 0.00 C ATOM 0 H LEU A 68 3.929 6.436 -11.500 1.00 0.00 H new ATOM 0 HA LEU A 68 2.083 7.899 -9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.352 8.963 -11.830 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.022 7.446 -12.643 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.259 7.378 -11.688 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.119 9.284 -10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.237 8.483 -9.528 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.498 10.027 -10.374 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.176 9.377 -12.854 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.449 10.102 -12.881 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.122 8.619 -13.809 1.00 0.00 H new ATOM 1095 N LEU A 69 0.589 5.906 -9.346 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.231 4.678 -9.123 1.00 0.00 C ATOM 1097 C LEU A 69 -1.705 5.012 -9.271 1.00 0.00 C ATOM 1098 O LEU A 69 -2.245 5.814 -8.533 1.00 0.00 O ATOM 1099 CB LEU A 69 0.024 4.157 -7.714 1.00 0.00 C ATOM 1100 CG LEU A 69 1.551 3.997 -7.480 1.00 0.00 C ATOM 1101 CD1 LEU A 69 2.117 5.248 -6.794 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.815 2.774 -6.593 1.00 0.00 C ATOM 0 H LEU A 69 0.433 6.653 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 69 0.044 3.920 -9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.395 4.846 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.477 3.199 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 69 2.039 3.864 -8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.188 5.123 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.943 6.119 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.623 5.391 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.888 2.666 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.315 2.906 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.430 1.880 -7.083 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.353 4.401 -10.228 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.807 4.668 -10.461 1.00 0.00 C ATOM 1116 C ARG A 70 -4.638 3.415 -10.182 1.00 0.00 C ATOM 1117 O ARG A 70 -4.223 2.300 -10.445 1.00 0.00 O ATOM 1118 CB ARG A 70 -4.020 5.101 -11.912 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.394 6.478 -12.133 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.518 6.858 -13.610 1.00 0.00 C ATOM 1121 NE ARG A 70 -4.961 6.997 -13.960 1.00 0.00 N ATOM 1122 CZ ARG A 70 -5.323 7.184 -15.202 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -4.425 7.247 -16.148 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.589 7.306 -15.498 1.00 0.00 N ATOM 0 H ARG A 70 -1.935 3.722 -10.865 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.127 5.460 -9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.572 4.374 -12.589 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.085 5.134 -12.140 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.893 7.221 -11.511 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.345 6.466 -11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.993 7.793 -13.803 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.052 6.096 -14.234 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.669 6.946 -13.227 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.436 7.150 -15.919 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.713 7.393 -17.116 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.292 7.255 -14.761 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.875 7.452 -16.466 1.00 0.00 H new ATOM 1138 N SER A 71 -5.820 3.612 -9.661 1.00 0.00 N ATOM 1139 CA SER A 71 -6.727 2.469 -9.361 1.00 0.00 C ATOM 1140 C SER A 71 -6.114 1.552 -8.304 1.00 0.00 C ATOM 1141 O SER A 71 -5.959 0.368 -8.523 1.00 0.00 O ATOM 1142 CB SER A 71 -6.988 1.674 -10.641 1.00 0.00 C ATOM 1143 OG SER A 71 -7.144 2.574 -11.728 1.00 0.00 O ATOM 0 H SER A 71 -6.199 4.530 -9.428 1.00 0.00 H new ATOM 0 HA SER A 71 -7.666 2.864 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.160 0.992 -10.834 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.884 1.064 -10.528 1.00 0.00 H new ATOM 0 HG SER A 71 -7.310 2.068 -12.551 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.780 2.086 -7.153 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.189 1.251 -6.060 1.00 0.00 C ATOM 1151 C VAL A 72 -6.191 1.129 -4.919 1.00 0.00 C ATOM 1152 O VAL A 72 -7.133 1.892 -4.826 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.904 1.903 -5.548 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.832 1.844 -6.637 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.167 3.368 -5.177 1.00 0.00 C ATOM 0 H VAL A 72 -5.893 3.073 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.956 0.259 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.563 1.365 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.916 2.309 -6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.633 0.804 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.182 2.377 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.245 3.822 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.516 3.909 -6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.927 3.415 -4.397 1.00 0.00 H new ATOM 1165 N VAL A 73 -5.998 0.160 -4.061 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.938 -0.055 -2.917 1.00 0.00 C ATOM 1167 C VAL A 73 -6.162 -0.024 -1.605 1.00 0.00 C ATOM 1168 O VAL A 73 -5.004 -0.386 -1.542 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.639 -1.405 -3.085 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.615 -2.540 -3.048 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.650 -1.591 -1.953 1.00 0.00 C ATOM 0 H VAL A 73 -5.221 -0.499 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.687 0.737 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.152 -1.425 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.126 -3.495 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.896 -2.408 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.091 -2.527 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.152 -2.551 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.132 -1.565 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.388 -0.789 -1.989 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.796 0.432 -0.558 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.107 0.524 0.767 1.00 0.00 C ATOM 1183 C VAL A 74 -6.422 -0.718 1.598 1.00 0.00 C ATOM 1184 O VAL A 74 -7.561 -1.125 1.707 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.602 1.770 1.499 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -6.078 1.774 2.936 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.095 3.012 0.766 1.00 0.00 C ATOM 0 H VAL A 74 -7.766 0.747 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.029 0.588 0.617 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.692 1.771 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.435 2.666 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.437 0.886 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.988 1.773 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.444 3.907 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.005 3.005 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.474 3.011 -0.256 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.413 -1.322 2.182 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.623 -2.547 3.015 1.00 0.00 C ATOM 1199 C GLY A 75 -5.434 -2.208 4.492 1.00 0.00 C ATOM 1200 O GLY A 75 -4.702 -1.302 4.843 1.00 0.00 O ATOM 0 H GLY A 75 -4.443 -1.014 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.625 -2.943 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.919 -3.325 2.718 1.00 0.00 H new ATOM 1204 N GLU A 76 -6.090 -2.932 5.360 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.960 -2.667 6.821 1.00 0.00 C ATOM 1206 C GLU A 76 -4.891 -3.585 7.410 1.00 0.00 C ATOM 1207 O GLU A 76 -5.082 -4.779 7.525 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.301 -2.947 7.500 1.00 0.00 C ATOM 1209 CG GLU A 76 -7.195 -2.630 8.992 1.00 0.00 C ATOM 1210 CD GLU A 76 -8.565 -2.799 9.649 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -9.447 -3.347 9.008 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -8.710 -2.376 10.785 1.00 0.00 O ATOM 0 H GLU A 76 -6.715 -3.701 5.117 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.674 -1.628 6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.085 -2.342 7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.581 -3.991 7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.469 -3.292 9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.836 -1.611 9.133 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.763 -3.029 7.785 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.661 -3.850 8.371 1.00 0.00 C ATOM 1221 C TYR A 77 -2.571 -3.584 9.877 1.00 0.00 C ATOM 1222 O TYR A 77 -2.113 -2.551 10.320 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.349 -3.478 7.677 1.00 0.00 C ATOM 1224 CG TYR A 77 -0.187 -4.155 8.368 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -0.126 -5.553 8.434 1.00 0.00 C ATOM 1226 CD2 TYR A 77 0.833 -3.383 8.942 1.00 0.00 C ATOM 1227 CE1 TYR A 77 0.950 -6.177 9.074 1.00 0.00 C ATOM 1228 CE2 TYR A 77 1.910 -4.008 9.581 1.00 0.00 C ATOM 1229 CZ TYR A 77 1.968 -5.405 9.647 1.00 0.00 C ATOM 1230 OH TYR A 77 3.028 -6.022 10.278 1.00 0.00 O ATOM 0 H TYR A 77 -3.559 -2.032 7.708 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.857 -4.912 8.220 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.385 -3.778 6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.213 -2.397 7.694 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.910 -6.149 7.991 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.788 -2.305 8.891 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.996 -7.255 9.126 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.696 -3.413 10.023 1.00 0.00 H new ATOM 0 HH TYR A 77 3.646 -5.342 10.619 1.00 0.00 H new ATOM 1240 N ASN A 78 -3.009 -4.533 10.661 1.00 0.00 N ATOM 1241 CA ASN A 78 -2.970 -4.386 12.145 1.00 0.00 C ATOM 1242 C ASN A 78 -3.413 -2.979 12.562 1.00 0.00 C ATOM 1243 O ASN A 78 -4.532 -2.576 12.316 1.00 0.00 O ATOM 1244 CB ASN A 78 -1.549 -4.645 12.646 1.00 0.00 C ATOM 1245 CG ASN A 78 -1.140 -6.080 12.307 1.00 0.00 C ATOM 1246 OD1 ASN A 78 0.026 -6.361 12.108 1.00 0.00 O ATOM 1247 ND2 ASN A 78 -2.057 -7.006 12.235 1.00 0.00 N ATOM 0 H ASN A 78 -3.398 -5.416 10.331 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.655 -5.111 12.585 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.856 -3.940 12.186 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.497 -4.486 13.723 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.796 -7.966 12.012 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.035 -6.769 12.402 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.548 -2.237 13.205 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.914 -0.861 13.658 1.00 0.00 C ATOM 1256 C ASP A 79 -2.505 0.166 12.602 1.00 0.00 C ATOM 1257 O ASP A 79 -2.963 1.292 12.615 1.00 0.00 O ATOM 1258 CB ASP A 79 -2.184 -0.553 14.966 1.00 0.00 C ATOM 1259 CG ASP A 79 -2.778 -1.400 16.092 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -3.807 -2.013 15.864 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -2.196 -1.418 17.164 1.00 0.00 O ATOM 0 H ASP A 79 -1.598 -2.527 13.437 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.992 -0.809 13.809 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.120 -0.764 14.860 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.276 0.506 15.206 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.637 -0.207 11.696 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.181 0.752 10.641 1.00 0.00 C ATOM 1268 C ARG A 80 -1.912 0.483 9.328 1.00 0.00 C ATOM 1269 O ARG A 80 -2.447 -0.584 9.103 1.00 0.00 O ATOM 1270 CB ARG A 80 0.322 0.590 10.422 1.00 0.00 C ATOM 1271 CG ARG A 80 1.071 1.134 11.638 1.00 0.00 C ATOM 1272 CD ARG A 80 2.574 0.937 11.436 1.00 0.00 C ATOM 1273 NE ARG A 80 3.306 1.447 12.630 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.612 2.714 12.729 1.00 0.00 C ATOM 1275 NH1 ARG A 80 3.293 3.545 11.773 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.244 3.148 13.784 1.00 0.00 N ATOM 0 H ARG A 80 -1.222 -1.137 11.640 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.402 1.768 10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.568 -0.461 10.269 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.630 1.123 9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.846 2.192 11.774 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.743 0.619 12.541 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.796 -0.119 11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.904 1.464 10.541 1.00 0.00 H new ATOM 0 HE ARG A 80 3.570 0.803 13.375 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.803 3.206 10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.534 4.533 11.855 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.498 2.499 14.529 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.484 4.136 13.864 1.00 0.00 H new ATOM 1290 N PHE A 81 -1.933 1.458 8.458 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.622 1.299 7.142 1.00 0.00 C ATOM 1292 C PHE A 81 -1.571 1.112 6.051 1.00 0.00 C ATOM 1293 O PHE A 81 -0.447 1.553 6.177 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.452 2.549 6.856 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.647 2.573 7.781 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.826 1.906 7.421 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.577 3.261 8.998 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.932 1.928 8.281 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.683 3.283 9.856 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.861 2.618 9.497 1.00 0.00 C ATOM 0 H PHE A 81 -1.497 2.369 8.604 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.279 0.430 7.165 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.846 3.444 7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.781 2.552 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.882 1.376 6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.669 3.775 9.275 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.840 1.412 8.006 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.627 3.813 10.795 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.715 2.637 10.158 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.925 0.450 4.982 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.941 0.225 3.881 1.00 0.00 C ATOM 1312 C GLN A 82 -1.674 0.196 2.542 1.00 0.00 C ATOM 1313 O GLN A 82 -2.868 -0.024 2.485 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.218 -1.109 4.097 1.00 0.00 C ATOM 1315 CG GLN A 82 0.631 -1.029 5.369 1.00 0.00 C ATOM 1316 CD GLN A 82 1.586 -2.228 5.436 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.664 -2.193 4.876 1.00 0.00 O ATOM 1318 NE2 GLN A 82 1.236 -3.296 6.103 1.00 0.00 N ATOM 0 H GLN A 82 -2.852 0.055 4.823 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.210 1.034 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.943 -1.918 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.414 -1.335 3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.200 -0.099 5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.014 -1.018 6.247 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.332 -3.329 6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.867 -4.096 6.152 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.962 0.412 1.463 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.609 0.396 0.113 1.00 0.00 C ATOM 1329 C VAL A 83 -1.294 -0.931 -0.576 1.00 0.00 C ATOM 1330 O VAL A 83 -0.149 -1.295 -0.746 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.059 1.550 -0.737 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.002 1.809 -1.914 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.960 2.813 0.122 1.00 0.00 C ATOM 0 H VAL A 83 0.041 0.599 1.459 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.687 0.511 0.224 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.070 1.286 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.613 2.628 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.076 0.910 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.990 2.074 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.570 3.633 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.949 3.077 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.291 2.630 0.963 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.308 -1.656 -0.972 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.081 -2.967 -1.651 1.00 0.00 C ATOM 1345 C GLN A 84 -2.221 -2.789 -3.157 1.00 0.00 C ATOM 1346 O GLN A 84 -3.191 -2.238 -3.638 1.00 0.00 O ATOM 1347 CB GLN A 84 -3.122 -3.976 -1.165 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.879 -4.280 0.313 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.948 -5.251 0.816 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -3.818 -5.816 1.883 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -5.008 -5.468 0.087 1.00 0.00 N ATOM 0 H GLN A 84 -3.287 -1.396 -0.854 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.080 -3.329 -1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.126 -3.576 -1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.059 -4.892 -1.752 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.887 -4.712 0.448 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.907 -3.358 0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.117 -4.993 -0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.728 -6.113 0.413 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.254 -3.253 -3.907 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.308 -3.123 -5.392 1.00 0.00 C ATOM 1362 C VAL A 85 -1.665 -4.479 -5.991 1.00 0.00 C ATOM 1363 O VAL A 85 -1.090 -5.493 -5.634 1.00 0.00 O ATOM 1364 CB VAL A 85 0.055 -2.674 -5.910 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.051 -2.367 -7.399 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.491 -1.416 -5.156 1.00 0.00 C ATOM 0 H VAL A 85 -0.421 -3.721 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.059 -2.386 -5.676 1.00 0.00 H new ATOM 0 HB VAL A 85 0.789 -3.464 -5.753 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.921 -2.046 -7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.368 -3.262 -7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.781 -1.573 -7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.465 -1.091 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.240 -0.624 -5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.559 -1.636 -4.091 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.622 -4.507 -6.892 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.050 -5.796 -7.521 1.00 0.00 C ATOM 1378 C ASN A 86 -3.010 -5.675 -9.044 1.00 0.00 C ATOM 1379 O ASN A 86 -2.506 -4.716 -9.595 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.479 -6.123 -7.084 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.390 -4.920 -7.343 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -5.290 -4.277 -8.369 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -6.280 -4.588 -6.448 1.00 0.00 N ATOM 0 H ASN A 86 -3.127 -3.684 -7.219 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.372 -6.588 -7.204 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.846 -6.992 -7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.495 -6.381 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.892 -3.788 -6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.363 -5.128 -5.587 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.540 -6.657 -9.718 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.552 -6.647 -11.206 1.00 0.00 C ATOM 1392 C LYS A 87 -4.392 -5.473 -11.720 1.00 0.00 C ATOM 1393 O LYS A 87 -3.996 -4.768 -12.627 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.157 -7.963 -11.700 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.074 -8.032 -13.227 1.00 0.00 C ATOM 1396 CD LYS A 87 -4.616 -9.380 -13.709 1.00 0.00 C ATOM 1397 CE LYS A 87 -4.520 -9.454 -15.234 1.00 0.00 C ATOM 1398 NZ LYS A 87 -3.091 -9.371 -15.649 1.00 0.00 N ATOM 0 H LYS A 87 -3.972 -7.478 -9.294 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.533 -6.538 -11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.625 -8.806 -11.259 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.196 -8.039 -11.379 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.648 -7.218 -13.670 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.041 -7.907 -13.551 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.048 -10.194 -13.259 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.652 -9.501 -13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.960 -10.385 -15.591 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.088 -8.640 -15.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.986 -9.751 -16.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.782 -8.378 -15.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.506 -9.926 -14.992 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.547 -5.263 -11.152 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.417 -4.142 -11.614 1.00 0.00 C ATOM 1414 C ASN A 88 -5.693 -2.810 -11.415 1.00 0.00 C ATOM 1415 O ASN A 88 -6.121 -1.782 -11.899 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.712 -4.143 -10.795 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.653 -3.053 -11.312 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.727 -2.810 -12.501 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.379 -2.381 -10.461 1.00 0.00 N ATOM 0 H ASN A 88 -5.928 -5.819 -10.387 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.646 -4.272 -12.672 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.196 -5.117 -10.864 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.487 -3.973 -9.742 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.009 -1.651 -10.793 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.316 -2.586 -9.464 1.00 0.00 H new ATOM 1426 N SER A 89 -4.598 -2.820 -10.706 1.00 0.00 N ATOM 1427 CA SER A 89 -3.845 -1.552 -10.473 1.00 0.00 C ATOM 1428 C SER A 89 -2.931 -1.255 -11.663 1.00 0.00 C ATOM 1429 O SER A 89 -2.662 -2.115 -12.478 1.00 0.00 O ATOM 1430 CB SER A 89 -3.003 -1.683 -9.210 1.00 0.00 C ATOM 1431 OG SER A 89 -1.807 -2.382 -9.520 1.00 0.00 O ATOM 0 H SER A 89 -4.191 -3.651 -10.277 1.00 0.00 H new ATOM 0 HA SER A 89 -4.557 -0.735 -10.357 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.769 -0.696 -8.810 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.561 -2.215 -8.440 1.00 0.00 H new ATOM 0 HG SER A 89 -2.029 -3.240 -9.939 1.00 0.00 H new ATOM 1437 N SER A 90 -2.452 -0.038 -11.768 1.00 0.00 N ATOM 1438 CA SER A 90 -1.554 0.332 -12.906 1.00 0.00 C ATOM 1439 C SER A 90 -0.422 1.203 -12.378 1.00 0.00 C ATOM 1440 O SER A 90 -0.558 1.857 -11.361 1.00 0.00 O ATOM 1441 CB SER A 90 -2.349 1.105 -13.951 1.00 0.00 C ATOM 1442 OG SER A 90 -2.780 2.337 -13.394 1.00 0.00 O ATOM 0 H SER A 90 -2.646 0.718 -11.111 1.00 0.00 H new ATOM 0 HA SER A 90 -1.144 -0.569 -13.362 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.734 1.286 -14.832 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.209 0.520 -14.277 1.00 0.00 H new ATOM 0 HG SER A 90 -3.291 2.838 -14.064 1.00 0.00 H new ATOM 1448 N ILE A 91 0.697 1.229 -13.064 1.00 0.00 N ATOM 1449 CA ILE A 91 1.851 2.062 -12.613 1.00 0.00 C ATOM 1450 C ILE A 91 2.503 2.723 -13.828 1.00 0.00 C ATOM 1451 O ILE A 91 2.781 2.070 -14.815 1.00 0.00 O ATOM 1452 CB ILE A 91 2.883 1.168 -11.918 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.275 0.591 -10.636 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.122 2.000 -11.575 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.212 -0.463 -10.052 1.00 0.00 C ATOM 0 H ILE A 91 0.858 0.704 -13.923 1.00 0.00 H new ATOM 0 HA ILE A 91 1.499 2.826 -11.920 1.00 0.00 H new ATOM 0 HB ILE A 91 3.168 0.350 -12.580 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.110 1.387 -9.910 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.302 0.148 -10.850 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.859 1.368 -11.080 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.550 2.409 -12.490 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.839 2.816 -10.910 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.777 -0.872 -9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.355 -1.265 -10.777 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.175 -0.007 -9.822 1.00 0.00 H new ATOM 1467 N GLU A 92 2.753 4.009 -13.758 1.00 0.00 N ATOM 1468 CA GLU A 92 3.400 4.728 -14.899 1.00 0.00 C ATOM 1469 C GLU A 92 4.617 5.494 -14.379 1.00 0.00 C ATOM 1470 O GLU A 92 4.544 6.213 -13.402 1.00 0.00 O ATOM 1471 CB GLU A 92 2.400 5.707 -15.518 1.00 0.00 C ATOM 1472 CG GLU A 92 3.006 6.332 -16.779 1.00 0.00 C ATOM 1473 CD GLU A 92 3.113 5.272 -17.879 1.00 0.00 C ATOM 1474 OE1 GLU A 92 2.586 4.188 -17.685 1.00 0.00 O ATOM 1475 OE2 GLU A 92 3.713 5.564 -18.899 1.00 0.00 O ATOM 0 H GLU A 92 2.534 4.595 -12.952 1.00 0.00 H new ATOM 0 HA GLU A 92 3.715 4.011 -15.657 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.474 5.188 -15.766 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.146 6.486 -14.799 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.387 7.162 -17.119 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.992 6.740 -16.557 1.00 0.00 H new ATOM 1482 N LYS A 93 5.734 5.338 -15.033 1.00 0.00 N ATOM 1483 CA LYS A 93 6.970 6.043 -14.597 1.00 0.00 C ATOM 1484 C LYS A 93 6.830 7.538 -14.877 1.00 0.00 C ATOM 1485 O LYS A 93 6.374 7.941 -15.929 1.00 0.00 O ATOM 1486 CB LYS A 93 8.157 5.476 -15.373 1.00 0.00 C ATOM 1487 CG LYS A 93 9.459 6.100 -14.861 1.00 0.00 C ATOM 1488 CD LYS A 93 10.646 5.565 -15.675 1.00 0.00 C ATOM 1489 CE LYS A 93 11.006 4.142 -15.225 1.00 0.00 C ATOM 1490 NZ LYS A 93 12.292 3.734 -15.851 1.00 0.00 N ATOM 0 H LYS A 93 5.844 4.747 -15.857 1.00 0.00 H new ATOM 0 HA LYS A 93 7.127 5.898 -13.528 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.193 4.393 -15.259 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.039 5.681 -16.437 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.410 7.186 -14.943 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.595 5.866 -13.805 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.397 5.566 -16.736 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.507 6.222 -15.549 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.089 4.103 -14.139 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.215 3.448 -15.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.834 3.151 -15.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.100 3.184 -16.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.842 4.581 -16.097 1.00 0.00 H new ATOM 1504 N LEU A 94 7.217 8.364 -13.938 1.00 0.00 N ATOM 1505 CA LEU A 94 7.106 9.841 -14.134 1.00 0.00 C ATOM 1506 C LEU A 94 8.442 10.410 -14.606 1.00 0.00 C ATOM 1507 O LEU A 94 9.490 10.091 -14.078 1.00 0.00 O ATOM 1508 CB LEU A 94 6.707 10.488 -12.808 1.00 0.00 C ATOM 1509 CG LEU A 94 5.279 10.062 -12.440 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.978 10.481 -11.000 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.251 10.716 -13.394 1.00 0.00 C ATOM 0 H LEU A 94 7.607 8.077 -13.040 1.00 0.00 H new ATOM 0 HA LEU A 94 6.351 10.052 -14.891 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.401 10.190 -12.022 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.765 11.573 -12.889 1.00 0.00 H new ATOM 0 HG LEU A 94 5.202 8.979 -12.535 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.964 10.179 -10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.686 10.000 -10.325 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.069 11.563 -10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.245 10.401 -13.116 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.325 11.801 -13.320 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.458 10.407 -14.419 1.00 0.00 H new ATOM 1523 N SER A 95 8.403 11.253 -15.601 1.00 0.00 N ATOM 1524 CA SER A 95 9.652 11.857 -16.129 1.00 0.00 C ATOM 1525 C SER A 95 10.004 13.086 -15.304 1.00 0.00 C ATOM 1526 O SER A 95 11.049 13.683 -15.493 1.00 0.00 O ATOM 1527 CB SER A 95 9.430 12.278 -17.581 1.00 0.00 C ATOM 1528 OG SER A 95 8.470 13.329 -17.621 1.00 0.00 O ATOM 0 H SER A 95 7.549 11.550 -16.073 1.00 0.00 H new ATOM 0 HA SER A 95 10.463 11.131 -16.073 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.369 12.610 -18.024 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.082 11.429 -18.170 1.00 0.00 H new ATOM 0 HG SER A 95 8.325 13.604 -18.550 1.00 0.00 H new ATOM 1534 N GLU A 96 9.138 13.483 -14.395 1.00 0.00 N ATOM 1535 CA GLU A 96 9.419 14.689 -13.563 1.00 0.00 C ATOM 1536 C GLU A 96 9.771 14.254 -12.124 1.00 0.00 C ATOM 1537 O GLU A 96 9.061 13.467 -11.526 1.00 0.00 O ATOM 1538 CB GLU A 96 8.179 15.583 -13.523 1.00 0.00 C ATOM 1539 CG GLU A 96 8.573 16.971 -12.998 1.00 0.00 C ATOM 1540 CD GLU A 96 7.343 17.875 -12.992 1.00 0.00 C ATOM 1541 OE1 GLU A 96 6.876 18.210 -14.067 1.00 0.00 O ATOM 1542 OE2 GLU A 96 6.887 18.214 -11.913 1.00 0.00 O ATOM 0 H GLU A 96 8.251 13.020 -14.198 1.00 0.00 H new ATOM 0 HA GLU A 96 10.255 15.237 -13.997 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.745 15.668 -14.519 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.418 15.141 -12.880 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.983 16.889 -11.992 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.353 17.402 -13.626 1.00 0.00 H new ATOM 1549 N PRO A 97 10.853 14.752 -11.565 1.00 0.00 N ATOM 1550 CA PRO A 97 11.275 14.396 -10.179 1.00 0.00 C ATOM 1551 C PRO A 97 10.416 15.087 -9.116 1.00 0.00 C ATOM 1552 O PRO A 97 9.950 16.192 -9.306 1.00 0.00 O ATOM 1553 CB PRO A 97 12.731 14.883 -10.113 1.00 0.00 C ATOM 1554 CG PRO A 97 12.807 16.018 -11.087 1.00 0.00 C ATOM 1555 CD PRO A 97 11.790 15.711 -12.182 1.00 0.00 C ATOM 0 HA PRO A 97 11.165 13.331 -9.976 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.992 15.209 -9.106 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.426 14.087 -10.380 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.579 16.965 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.811 16.107 -11.502 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.274 16.614 -12.508 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.272 15.284 -13.061 1.00 0.00 H new ATOM 1563 N ILE A 98 10.208 14.437 -7.998 1.00 0.00 N ATOM 1564 CA ILE A 98 9.383 15.033 -6.901 1.00 0.00 C ATOM 1565 C ILE A 98 10.293 15.380 -5.730 1.00 0.00 C ATOM 1566 O ILE A 98 11.106 14.581 -5.307 1.00 0.00 O ATOM 1567 CB ILE A 98 8.324 14.027 -6.463 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.355 13.798 -7.624 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.564 14.586 -5.258 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.475 12.587 -7.324 1.00 0.00 C ATOM 0 H ILE A 98 10.579 13.508 -7.796 1.00 0.00 H new ATOM 0 HA ILE A 98 8.888 15.938 -7.253 1.00 0.00 H new ATOM 0 HB ILE A 98 8.794 13.084 -6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.736 14.682 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.910 13.637 -8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.806 13.870 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.261 14.763 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.084 15.525 -5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.785 12.425 -8.152 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.102 11.705 -7.196 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.909 12.766 -6.410 1.00 0.00 H new ATOM 1582 N GLU A 99 10.173 16.574 -5.204 1.00 0.00 N ATOM 1583 CA GLU A 99 11.041 16.987 -4.064 1.00 0.00 C ATOM 1584 C GLU A 99 10.295 16.799 -2.744 1.00 0.00 C ATOM 1585 O GLU A 99 9.228 17.342 -2.533 1.00 0.00 O ATOM 1586 CB GLU A 99 11.418 18.463 -4.225 1.00 0.00 C ATOM 1587 CG GLU A 99 12.306 18.649 -5.468 1.00 0.00 C ATOM 1588 CD GLU A 99 11.437 18.735 -6.727 1.00 0.00 C ATOM 1589 OE1 GLU A 99 10.239 18.536 -6.614 1.00 0.00 O ATOM 1590 OE2 GLU A 99 11.987 18.994 -7.786 1.00 0.00 O ATOM 0 H GLU A 99 9.508 17.281 -5.518 1.00 0.00 H new ATOM 0 HA GLU A 99 11.941 16.372 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.517 19.069 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.945 18.811 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.903 19.555 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.004 17.816 -5.554 1.00 0.00 H new