USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 535 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 36 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.27) USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.14 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 79:sc= 1.24 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.391 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -146:sc= 0.2 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -35:sc= 1.15 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00684 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 33 THR OG1 : rot 150:sc=-0.00162 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc=-0.00494 X(o=-0.0049,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.987 X(o=-0.99,f=-0.5) USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1.12) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.388 -20.531 -5.875 1.00 0.00 N ATOM 2 CA GLY A 1 16.304 -19.383 -5.913 1.00 0.00 C ATOM 3 C GLY A 1 16.508 -18.832 -4.510 1.00 0.00 C ATOM 4 O GLY A 1 15.670 -19.073 -3.648 1.00 0.00 O ATOM 0 H1 GLY A 1 15.897 -21.391 -6.162 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.022 -20.651 -4.909 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.595 -20.364 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.262 -19.686 -6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.900 -18.606 -6.562 1.00 0.00 H new ATOM 8 N PRO A 2 17.584 -18.068 -4.259 1.00 0.00 N ATOM 9 CA PRO A 2 17.860 -17.506 -2.943 1.00 0.00 C ATOM 10 C PRO A 2 16.937 -16.339 -2.573 1.00 0.00 C ATOM 11 O PRO A 2 16.793 -16.043 -1.386 1.00 0.00 O ATOM 12 CB PRO A 2 19.323 -17.058 -3.001 1.00 0.00 C ATOM 13 CG PRO A 2 19.529 -16.712 -4.475 1.00 0.00 C ATOM 14 CD PRO A 2 18.633 -17.715 -5.199 1.00 0.00 C ATOM 0 HA PRO A 2 17.678 -18.248 -2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.506 -16.198 -2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.999 -17.849 -2.676 1.00 0.00 H new ATOM 0 HG2 PRO A 2 19.239 -15.684 -4.691 1.00 0.00 H new ATOM 0 HG3 PRO A 2 20.573 -16.818 -4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.214 -17.279 -6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.199 -18.596 -5.501 1.00 0.00 H new ATOM 22 N LEU A 3 16.309 -15.676 -3.560 1.00 0.00 N ATOM 23 CA LEU A 3 15.408 -14.526 -3.377 1.00 0.00 C ATOM 24 C LEU A 3 16.069 -13.468 -2.468 1.00 0.00 C ATOM 25 O LEU A 3 15.433 -12.834 -1.614 1.00 0.00 O ATOM 26 CB LEU A 3 14.011 -14.991 -2.913 1.00 0.00 C ATOM 27 CG LEU A 3 13.110 -15.555 -4.034 1.00 0.00 C ATOM 28 CD1 LEU A 3 13.542 -16.920 -4.575 1.00 0.00 C ATOM 29 CD2 LEU A 3 11.686 -15.676 -3.506 1.00 0.00 C ATOM 0 H LEU A 3 16.419 -15.936 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 3 15.239 -14.030 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 3 14.134 -15.756 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.500 -14.149 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 3 13.190 -14.854 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.852 -17.236 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.548 -16.846 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.534 -17.651 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.040 -16.073 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.672 -16.348 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.326 -14.693 -3.203 1.00 0.00 H new ATOM 41 N GLY A 4 17.382 -13.307 -2.656 1.00 0.00 N ATOM 42 CA GLY A 4 18.248 -12.412 -1.926 1.00 0.00 C ATOM 43 C GLY A 4 18.405 -11.063 -2.600 1.00 0.00 C ATOM 44 O GLY A 4 19.278 -10.903 -3.456 1.00 0.00 O ATOM 0 H GLY A 4 17.887 -13.835 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.849 -12.267 -0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.229 -12.874 -1.815 1.00 0.00 H new ATOM 48 N SER A 5 17.532 -10.128 -2.248 1.00 0.00 N ATOM 49 CA SER A 5 17.503 -8.751 -2.704 1.00 0.00 C ATOM 50 C SER A 5 16.558 -8.008 -1.761 1.00 0.00 C ATOM 51 O SER A 5 15.723 -8.630 -1.092 1.00 0.00 O ATOM 52 CB SER A 5 17.048 -8.600 -4.160 1.00 0.00 C ATOM 53 OG SER A 5 17.464 -7.336 -4.642 1.00 0.00 O ATOM 0 H SER A 5 16.777 -10.329 -1.593 1.00 0.00 H new ATOM 0 HA SER A 5 18.512 -8.340 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.473 -9.395 -4.772 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.964 -8.691 -4.227 1.00 0.00 H new ATOM 0 HG SER A 5 17.179 -7.231 -5.574 1.00 0.00 H new ATOM 59 N THR A 6 16.696 -6.690 -1.717 1.00 0.00 N ATOM 60 CA THR A 6 15.913 -5.766 -0.919 1.00 0.00 C ATOM 61 C THR A 6 15.406 -4.717 -1.901 1.00 0.00 C ATOM 62 O THR A 6 16.072 -4.407 -2.892 1.00 0.00 O ATOM 63 CB THR A 6 16.774 -5.166 0.216 1.00 0.00 C ATOM 64 OG1 THR A 6 16.082 -4.146 0.915 1.00 0.00 O ATOM 65 CG2 THR A 6 18.084 -4.541 -0.280 1.00 0.00 C ATOM 0 H THR A 6 17.403 -6.211 -2.274 1.00 0.00 H new ATOM 0 HA THR A 6 15.076 -6.248 -0.414 1.00 0.00 H new ATOM 0 HB THR A 6 16.994 -6.015 0.864 1.00 0.00 H new ATOM 0 HG1 THR A 6 16.655 -3.790 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 6 18.639 -4.139 0.568 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.684 -5.302 -0.779 1.00 0.00 H new ATOM 0 HG23 THR A 6 17.861 -3.737 -0.982 1.00 0.00 H new ATOM 73 N ASP A 7 14.241 -4.150 -1.632 1.00 0.00 N ATOM 74 CA ASP A 7 13.612 -3.130 -2.453 1.00 0.00 C ATOM 75 C ASP A 7 12.549 -2.424 -1.615 1.00 0.00 C ATOM 76 O ASP A 7 12.263 -2.840 -0.485 1.00 0.00 O ATOM 77 CB ASP A 7 12.991 -3.760 -3.711 1.00 0.00 C ATOM 78 CG ASP A 7 11.625 -4.392 -3.452 1.00 0.00 C ATOM 79 OD1 ASP A 7 10.627 -3.824 -3.929 1.00 0.00 O ATOM 80 OD2 ASP A 7 11.529 -5.448 -2.774 1.00 0.00 O ATOM 0 H ASP A 7 13.690 -4.396 -0.809 1.00 0.00 H new ATOM 0 HA ASP A 7 14.356 -2.405 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.891 -2.995 -4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.668 -4.520 -4.102 1.00 0.00 H new ATOM 85 N CYS A 8 12.013 -1.323 -2.129 1.00 0.00 N ATOM 86 CA CYS A 8 10.976 -0.547 -1.476 1.00 0.00 C ATOM 87 C CYS A 8 9.670 -0.975 -2.129 1.00 0.00 C ATOM 88 O CYS A 8 9.498 -0.764 -3.324 1.00 0.00 O ATOM 89 CB CYS A 8 11.224 0.950 -1.670 1.00 0.00 C ATOM 90 SG CYS A 8 12.678 1.465 -0.715 1.00 0.00 S ATOM 0 H CYS A 8 12.296 -0.940 -3.031 1.00 0.00 H new ATOM 0 HA CYS A 8 10.956 -0.721 -0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.377 1.168 -2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.349 1.517 -1.351 1.00 0.00 H new ATOM 0 HG CYS A 8 12.882 2.737 -0.888 1.00 0.00 H new ATOM 96 N SER A 9 8.800 -1.629 -1.371 1.00 0.00 N ATOM 97 CA SER A 9 7.492 -2.111 -1.789 1.00 0.00 C ATOM 98 C SER A 9 6.586 -2.069 -0.552 1.00 0.00 C ATOM 99 O SER A 9 7.049 -1.693 0.533 1.00 0.00 O ATOM 100 CB SER A 9 7.610 -3.507 -2.411 1.00 0.00 C ATOM 101 OG SER A 9 8.069 -3.442 -3.747 1.00 0.00 O ATOM 0 H SER A 9 9.000 -1.849 -0.395 1.00 0.00 H new ATOM 0 HA SER A 9 7.056 -1.486 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.295 -4.114 -1.819 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.640 -4.002 -2.382 1.00 0.00 H new ATOM 0 HG SER A 9 9.039 -3.301 -3.753 1.00 0.00 H new ATOM 107 N ILE A 10 5.305 -2.434 -0.693 1.00 0.00 N ATOM 108 CA ILE A 10 4.321 -2.424 0.398 1.00 0.00 C ATOM 109 C ILE A 10 4.835 -3.138 1.635 1.00 0.00 C ATOM 110 O ILE A 10 4.407 -2.780 2.722 1.00 0.00 O ATOM 111 CB ILE A 10 2.947 -2.975 -0.052 1.00 0.00 C ATOM 112 CG1 ILE A 10 2.333 -2.083 -1.134 1.00 0.00 C ATOM 113 CG2 ILE A 10 1.921 -3.197 1.062 1.00 0.00 C ATOM 114 CD1 ILE A 10 1.893 -0.704 -0.653 1.00 0.00 C ATOM 0 H ILE A 10 4.917 -2.749 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 10 4.170 -1.380 0.672 1.00 0.00 H new ATOM 0 HB ILE A 10 3.176 -3.967 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.059 -1.957 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.471 -2.595 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.997 -3.584 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.315 -3.914 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.720 -2.251 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.471 -0.145 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.140 -0.814 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.753 -0.166 -0.254 1.00 0.00 H new ATOM 126 N VAL A 11 5.757 -4.084 1.499 1.00 0.00 N ATOM 127 CA VAL A 11 6.315 -4.793 2.641 1.00 0.00 C ATOM 128 C VAL A 11 6.868 -3.798 3.670 1.00 0.00 C ATOM 129 O VAL A 11 6.484 -3.824 4.836 1.00 0.00 O ATOM 130 CB VAL A 11 7.364 -5.813 2.174 1.00 0.00 C ATOM 131 CG1 VAL A 11 6.637 -7.024 1.577 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.392 -5.302 1.145 1.00 0.00 C ATOM 0 H VAL A 11 6.136 -4.379 0.599 1.00 0.00 H new ATOM 0 HA VAL A 11 5.527 -5.356 3.140 1.00 0.00 H new ATOM 0 HB VAL A 11 7.944 -6.056 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.369 -7.758 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.995 -7.473 2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.030 -6.703 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.081 -6.107 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.873 -4.969 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.950 -4.468 1.571 1.00 0.00 H new ATOM 142 N SER A 12 7.712 -2.868 3.227 1.00 0.00 N ATOM 143 CA SER A 12 8.324 -1.851 4.064 1.00 0.00 C ATOM 144 C SER A 12 7.247 -0.925 4.660 1.00 0.00 C ATOM 145 O SER A 12 7.298 -0.554 5.843 1.00 0.00 O ATOM 146 CB SER A 12 9.312 -1.089 3.169 1.00 0.00 C ATOM 147 OG SER A 12 10.262 -1.972 2.588 1.00 0.00 O ATOM 0 H SER A 12 7.993 -2.804 2.249 1.00 0.00 H new ATOM 0 HA SER A 12 8.849 -2.288 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.767 -0.567 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.828 -0.330 3.756 1.00 0.00 H new ATOM 0 HG SER A 12 10.878 -1.463 2.021 1.00 0.00 H new ATOM 153 N PHE A 13 6.269 -0.532 3.836 1.00 0.00 N ATOM 154 CA PHE A 13 5.188 0.342 4.269 1.00 0.00 C ATOM 155 C PHE A 13 4.368 -0.341 5.364 1.00 0.00 C ATOM 156 O PHE A 13 4.077 0.251 6.401 1.00 0.00 O ATOM 157 CB PHE A 13 4.337 0.701 3.045 1.00 0.00 C ATOM 158 CG PHE A 13 3.097 1.532 3.308 1.00 0.00 C ATOM 159 CD1 PHE A 13 1.889 1.178 2.677 1.00 0.00 C ATOM 160 CD2 PHE A 13 3.143 2.669 4.140 1.00 0.00 C ATOM 161 CE1 PHE A 13 0.734 1.945 2.888 1.00 0.00 C ATOM 162 CE2 PHE A 13 1.984 3.432 4.356 1.00 0.00 C ATOM 163 CZ PHE A 13 0.781 3.052 3.744 1.00 0.00 C ATOM 0 H PHE A 13 6.210 -0.812 2.857 1.00 0.00 H new ATOM 0 HA PHE A 13 5.583 1.263 4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.966 1.241 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.031 -0.225 2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.852 0.314 2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.072 2.954 4.612 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.189 1.683 2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.019 4.306 4.990 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.118 3.619 3.935 1.00 0.00 H new ATOM 173 N PHE A 14 4.000 -1.601 5.159 1.00 0.00 N ATOM 174 CA PHE A 14 3.218 -2.387 6.092 1.00 0.00 C ATOM 175 C PHE A 14 4.011 -2.653 7.354 1.00 0.00 C ATOM 176 O PHE A 14 3.419 -2.587 8.429 1.00 0.00 O ATOM 177 CB PHE A 14 2.706 -3.653 5.415 1.00 0.00 C ATOM 178 CG PHE A 14 1.443 -3.451 4.590 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.708 -4.586 4.221 1.00 0.00 C ATOM 180 CD2 PHE A 14 0.989 -2.174 4.186 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.438 -4.467 3.424 1.00 0.00 C ATOM 182 CE2 PHE A 14 -0.172 -2.048 3.406 1.00 0.00 C ATOM 183 CZ PHE A 14 -0.872 -3.197 3.011 1.00 0.00 C ATOM 0 H PHE A 14 4.247 -2.114 4.313 1.00 0.00 H new ATOM 0 HA PHE A 14 2.336 -1.825 6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.490 -4.048 4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.512 -4.407 6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.028 -5.562 4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.538 -1.291 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.986 -5.349 3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.524 -1.070 3.112 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.748 -3.105 2.387 1.00 0.00 H new ATOM 193 N ALA A 15 5.324 -2.872 7.247 1.00 0.00 N ATOM 194 CA ALA A 15 6.184 -3.089 8.402 1.00 0.00 C ATOM 195 C ALA A 15 6.046 -1.851 9.299 1.00 0.00 C ATOM 196 O ALA A 15 5.913 -1.986 10.516 1.00 0.00 O ATOM 197 CB ALA A 15 7.629 -3.346 7.959 1.00 0.00 C ATOM 0 H ALA A 15 5.816 -2.903 6.354 1.00 0.00 H new ATOM 0 HA ALA A 15 5.889 -3.976 8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.256 -3.506 8.836 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.663 -4.231 7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.997 -2.485 7.402 1.00 0.00 H new ATOM 203 N ARG A 16 6.024 -0.646 8.701 1.00 0.00 N ATOM 204 CA ARG A 16 5.849 0.594 9.464 1.00 0.00 C ATOM 205 C ARG A 16 4.432 0.741 10.014 1.00 0.00 C ATOM 206 O ARG A 16 4.270 1.228 11.129 1.00 0.00 O ATOM 207 CB ARG A 16 6.156 1.815 8.591 1.00 0.00 C ATOM 208 CG ARG A 16 7.660 1.974 8.459 1.00 0.00 C ATOM 209 CD ARG A 16 8.019 3.250 7.686 1.00 0.00 C ATOM 210 NE ARG A 16 9.288 3.823 8.157 1.00 0.00 N ATOM 211 CZ ARG A 16 9.453 4.480 9.311 1.00 0.00 C ATOM 212 NH1 ARG A 16 8.416 4.726 10.106 1.00 0.00 N ATOM 213 NH2 ARG A 16 10.665 4.863 9.668 1.00 0.00 N ATOM 0 H ARG A 16 6.125 -0.509 7.695 1.00 0.00 H new ATOM 0 HA ARG A 16 6.546 0.539 10.300 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.704 1.695 7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.722 2.711 9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.113 2.007 9.450 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.076 1.106 7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.093 3.024 6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.221 3.984 7.802 1.00 0.00 H new ATOM 0 HE ARG A 16 10.106 3.711 7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.483 4.413 9.839 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.554 5.228 10.983 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.463 4.657 9.066 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.804 5.365 10.545 1.00 0.00 H new ATOM 227 N LEU A 17 3.408 0.379 9.238 1.00 0.00 N ATOM 228 CA LEU A 17 1.998 0.469 9.656 1.00 0.00 C ATOM 229 C LEU A 17 1.639 -0.552 10.742 1.00 0.00 C ATOM 230 O LEU A 17 0.699 -0.321 11.507 1.00 0.00 O ATOM 231 CB LEU A 17 1.021 0.232 8.492 1.00 0.00 C ATOM 232 CG LEU A 17 0.931 1.281 7.375 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.203 0.876 6.423 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.660 2.698 7.890 1.00 0.00 C ATOM 0 H LEU A 17 3.530 0.012 8.294 1.00 0.00 H new ATOM 0 HA LEU A 17 1.897 1.485 10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.283 -0.720 8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.024 0.116 8.917 1.00 0.00 H new ATOM 0 HG LEU A 17 1.899 1.306 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.284 1.609 5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.011 -0.105 5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.143 0.835 6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.609 3.388 7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.287 2.714 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.465 3.002 8.559 1.00 0.00 H new ATOM 246 N GLY A 18 2.361 -1.668 10.822 1.00 0.00 N ATOM 247 CA GLY A 18 2.176 -2.753 11.765 1.00 0.00 C ATOM 248 C GLY A 18 1.351 -3.861 11.129 1.00 0.00 C ATOM 249 O GLY A 18 0.921 -4.777 11.828 1.00 0.00 O ATOM 0 H GLY A 18 3.139 -1.843 10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.145 -3.143 12.077 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.676 -2.385 12.661 1.00 0.00 H new ATOM 253 N CYS A 19 1.077 -3.760 9.823 1.00 0.00 N ATOM 254 CA CYS A 19 0.276 -4.739 9.129 1.00 0.00 C ATOM 255 C CYS A 19 1.037 -6.060 8.997 1.00 0.00 C ATOM 256 O CYS A 19 2.026 -6.113 8.268 1.00 0.00 O ATOM 257 CB CYS A 19 -0.227 -4.184 7.792 1.00 0.00 C ATOM 258 SG CYS A 19 -0.901 -2.507 8.002 1.00 0.00 S ATOM 0 H CYS A 19 1.408 -2.997 9.233 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.615 -4.957 9.717 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.590 -4.165 7.071 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.996 -4.842 7.386 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.318 -2.060 6.855 1.00 0.00 H new ATOM 264 N SER A 20 0.585 -7.093 9.704 1.00 0.00 N ATOM 265 CA SER A 20 1.172 -8.424 9.745 1.00 0.00 C ATOM 266 C SER A 20 0.624 -9.330 8.630 1.00 0.00 C ATOM 267 O SER A 20 1.119 -9.240 7.507 1.00 0.00 O ATOM 268 CB SER A 20 0.982 -8.974 11.163 1.00 0.00 C ATOM 269 OG SER A 20 1.553 -8.081 12.107 1.00 0.00 O ATOM 0 H SER A 20 -0.244 -7.017 10.293 1.00 0.00 H new ATOM 0 HA SER A 20 2.241 -8.384 9.537 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.079 -9.108 11.372 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.450 -9.955 11.248 1.00 0.00 H new ATOM 0 HG SER A 20 1.427 -8.437 13.011 1.00 0.00 H new ATOM 275 N SER A 21 -0.443 -10.115 8.855 1.00 0.00 N ATOM 276 CA SER A 21 -1.014 -11.023 7.849 1.00 0.00 C ATOM 277 C SER A 21 -1.330 -10.340 6.515 1.00 0.00 C ATOM 278 O SER A 21 -1.295 -10.965 5.462 1.00 0.00 O ATOM 279 CB SER A 21 -2.317 -11.646 8.364 1.00 0.00 C ATOM 280 OG SER A 21 -2.214 -12.248 9.643 1.00 0.00 O ATOM 0 H SER A 21 -0.936 -10.137 9.747 1.00 0.00 H new ATOM 0 HA SER A 21 -0.247 -11.778 7.678 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.085 -10.873 8.401 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.654 -12.397 7.649 1.00 0.00 H new ATOM 0 HG SER A 21 -3.084 -12.619 9.901 1.00 0.00 H new ATOM 286 N CYS A 22 -1.654 -9.051 6.535 1.00 0.00 N ATOM 287 CA CYS A 22 -1.977 -8.302 5.344 1.00 0.00 C ATOM 288 C CYS A 22 -0.784 -8.218 4.386 1.00 0.00 C ATOM 289 O CYS A 22 -0.986 -8.123 3.171 1.00 0.00 O ATOM 290 CB CYS A 22 -2.451 -6.902 5.741 1.00 0.00 C ATOM 291 SG CYS A 22 -3.719 -6.964 7.045 1.00 0.00 S ATOM 0 H CYS A 22 -1.698 -8.499 7.392 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.776 -8.822 4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.601 -6.315 6.088 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.854 -6.393 4.866 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.561 -5.988 6.878 1.00 0.00 H new ATOM 297 N LEU A 23 0.442 -8.164 4.920 1.00 0.00 N ATOM 298 CA LEU A 23 1.652 -8.105 4.118 1.00 0.00 C ATOM 299 C LEU A 23 1.787 -9.458 3.450 1.00 0.00 C ATOM 300 O LEU A 23 2.104 -9.503 2.268 1.00 0.00 O ATOM 301 CB LEU A 23 2.884 -7.667 4.953 1.00 0.00 C ATOM 302 CG LEU A 23 3.756 -8.762 5.620 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.817 -9.331 4.668 1.00 0.00 C ATOM 304 CD2 LEU A 23 4.491 -8.175 6.831 1.00 0.00 C ATOM 0 H LEU A 23 0.615 -8.160 5.925 1.00 0.00 H new ATOM 0 HA LEU A 23 1.592 -7.334 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.532 -7.078 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.531 -7.000 5.740 1.00 0.00 H new ATOM 0 HG LEU A 23 3.077 -9.564 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.399 -10.093 5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.327 -9.775 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.479 -8.530 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.102 -8.949 7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.130 -7.354 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.764 -7.804 7.553 1.00 0.00 H new ATOM 316 N ASP A 24 1.503 -10.535 4.182 1.00 0.00 N ATOM 317 CA ASP A 24 1.582 -11.904 3.704 1.00 0.00 C ATOM 318 C ASP A 24 0.688 -12.052 2.484 1.00 0.00 C ATOM 319 O ASP A 24 1.165 -12.429 1.413 1.00 0.00 O ATOM 320 CB ASP A 24 1.180 -12.879 4.816 1.00 0.00 C ATOM 321 CG ASP A 24 1.602 -14.309 4.510 1.00 0.00 C ATOM 322 OD1 ASP A 24 2.179 -14.939 5.426 1.00 0.00 O ATOM 323 OD2 ASP A 24 1.389 -14.793 3.377 1.00 0.00 O ATOM 0 H ASP A 24 1.202 -10.470 5.155 1.00 0.00 H new ATOM 0 HA ASP A 24 2.607 -12.141 3.419 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.633 -12.562 5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.099 -12.843 4.955 1.00 0.00 H new ATOM 328 N TYR A 25 -0.568 -11.619 2.620 1.00 0.00 N ATOM 329 CA TYR A 25 -1.561 -11.678 1.561 1.00 0.00 C ATOM 330 C TYR A 25 -1.004 -10.954 0.331 1.00 0.00 C ATOM 331 O TYR A 25 -0.915 -11.557 -0.739 1.00 0.00 O ATOM 332 CB TYR A 25 -2.885 -11.091 2.073 1.00 0.00 C ATOM 333 CG TYR A 25 -3.552 -11.779 3.265 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.644 -11.143 3.887 1.00 0.00 C ATOM 335 CD2 TYR A 25 -3.133 -13.037 3.748 1.00 0.00 C ATOM 336 CE1 TYR A 25 -5.384 -11.793 4.890 1.00 0.00 C ATOM 337 CE2 TYR A 25 -3.816 -13.658 4.807 1.00 0.00 C ATOM 338 CZ TYR A 25 -4.973 -13.064 5.350 1.00 0.00 C ATOM 339 OH TYR A 25 -5.655 -13.707 6.339 1.00 0.00 O ATOM 0 H TYR A 25 -0.922 -11.212 3.486 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.773 -12.705 1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.709 -10.050 2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.594 -11.091 1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.917 -10.141 3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.281 -13.526 3.300 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.262 -11.323 5.307 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.453 -14.594 5.206 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.228 -14.569 6.524 1.00 0.00 H new ATOM 349 N PHE A 26 -0.562 -9.701 0.475 1.00 0.00 N ATOM 350 CA PHE A 26 0.002 -8.952 -0.639 1.00 0.00 C ATOM 351 C PHE A 26 1.191 -9.654 -1.302 1.00 0.00 C ATOM 352 O PHE A 26 1.258 -9.678 -2.535 1.00 0.00 O ATOM 353 CB PHE A 26 0.464 -7.582 -0.150 1.00 0.00 C ATOM 354 CG PHE A 26 -0.443 -6.468 -0.581 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.265 -5.865 -1.839 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.481 -6.052 0.264 1.00 0.00 C ATOM 357 CE1 PHE A 26 -1.054 -4.763 -2.197 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.318 -5.000 -0.128 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.068 -4.327 -1.336 1.00 0.00 C ATOM 0 H PHE A 26 -0.586 -9.188 1.356 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.788 -8.866 -1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.525 -7.593 0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.470 -7.389 -0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.475 -6.249 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.635 -6.541 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.880 -4.253 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.151 -4.708 0.494 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.663 -3.466 -1.602 1.00 0.00 H new ATOM 369 N THR A 27 2.128 -10.198 -0.514 1.00 0.00 N ATOM 370 CA THR A 27 3.307 -10.870 -1.051 1.00 0.00 C ATOM 371 C THR A 27 2.887 -12.007 -1.980 1.00 0.00 C ATOM 372 O THR A 27 3.351 -12.038 -3.123 1.00 0.00 O ATOM 373 CB THR A 27 4.299 -11.317 0.048 1.00 0.00 C ATOM 374 OG1 THR A 27 3.737 -12.176 1.024 1.00 0.00 O ATOM 375 CG2 THR A 27 4.968 -10.138 0.767 1.00 0.00 C ATOM 0 H THR A 27 2.086 -10.182 0.505 1.00 0.00 H new ATOM 0 HA THR A 27 3.865 -10.146 -1.645 1.00 0.00 H new ATOM 0 HB THR A 27 5.049 -11.879 -0.509 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.805 -11.921 1.186 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.652 -10.516 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.522 -9.539 0.045 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.205 -9.521 1.241 1.00 0.00 H new ATOM 383 N THR A 28 1.984 -12.880 -1.524 1.00 0.00 N ATOM 384 CA THR A 28 1.478 -14.009 -2.288 1.00 0.00 C ATOM 385 C THR A 28 0.717 -13.539 -3.525 1.00 0.00 C ATOM 386 O THR A 28 0.837 -14.158 -4.586 1.00 0.00 O ATOM 387 CB THR A 28 0.582 -14.858 -1.384 1.00 0.00 C ATOM 388 OG1 THR A 28 1.172 -15.045 -0.117 1.00 0.00 O ATOM 389 CG2 THR A 28 0.307 -16.244 -1.946 1.00 0.00 C ATOM 0 H THR A 28 1.579 -12.814 -0.590 1.00 0.00 H new ATOM 0 HA THR A 28 2.316 -14.612 -2.636 1.00 0.00 H new ATOM 0 HB THR A 28 -0.353 -14.302 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.579 -15.589 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.334 -16.795 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.191 -16.153 -2.911 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.248 -16.779 -2.072 1.00 0.00 H new ATOM 397 N GLN A 29 -0.047 -12.444 -3.430 1.00 0.00 N ATOM 398 CA GLN A 29 -0.782 -11.944 -4.578 1.00 0.00 C ATOM 399 C GLN A 29 0.216 -11.447 -5.632 1.00 0.00 C ATOM 400 O GLN A 29 -0.112 -11.415 -6.819 1.00 0.00 O ATOM 401 CB GLN A 29 -1.775 -10.861 -4.145 1.00 0.00 C ATOM 402 CG GLN A 29 -2.955 -11.417 -3.336 1.00 0.00 C ATOM 403 CD GLN A 29 -3.908 -10.307 -2.899 1.00 0.00 C ATOM 404 OE1 GLN A 29 -3.626 -9.572 -1.958 1.00 0.00 O ATOM 405 NE2 GLN A 29 -5.049 -10.141 -3.554 1.00 0.00 N ATOM 0 H GLN A 29 -0.166 -11.899 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.373 -12.742 -5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.252 -10.114 -3.547 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.156 -10.351 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.497 -12.147 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.580 -11.942 -2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.282 -10.753 -4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.694 -9.401 -3.276 1.00 0.00 H new ATOM 414 N GLY A 30 1.457 -11.141 -5.234 1.00 0.00 N ATOM 415 CA GLY A 30 2.504 -10.679 -6.126 1.00 0.00 C ATOM 416 C GLY A 30 2.153 -9.323 -6.701 1.00 0.00 C ATOM 417 O GLY A 30 2.389 -9.088 -7.882 1.00 0.00 O ATOM 0 H GLY A 30 1.758 -11.212 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.449 -10.618 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.645 -11.397 -6.934 1.00 0.00 H new ATOM 421 N LEU A 31 1.575 -8.439 -5.883 1.00 0.00 N ATOM 422 CA LEU A 31 1.175 -7.104 -6.332 1.00 0.00 C ATOM 423 C LEU A 31 1.478 -5.999 -5.319 1.00 0.00 C ATOM 424 O LEU A 31 0.806 -4.968 -5.306 1.00 0.00 O ATOM 425 CB LEU A 31 -0.287 -7.142 -6.828 1.00 0.00 C ATOM 426 CG LEU A 31 -1.358 -7.773 -5.919 1.00 0.00 C ATOM 427 CD1 LEU A 31 -1.981 -6.795 -4.929 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.471 -8.373 -6.782 1.00 0.00 C ATOM 0 H LEU A 31 1.373 -8.626 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 31 1.798 -6.824 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.592 -6.117 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.301 -7.678 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.847 -8.538 -5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.725 -7.314 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.205 -6.390 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.459 -5.981 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.229 -8.820 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.925 -7.588 -7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.052 -9.139 -7.435 1.00 0.00 H new ATOM 440 N THR A 32 2.487 -6.187 -4.465 1.00 0.00 N ATOM 441 CA THR A 32 2.841 -5.195 -3.455 1.00 0.00 C ATOM 442 C THR A 32 3.756 -4.165 -4.112 1.00 0.00 C ATOM 443 O THR A 32 4.841 -4.503 -4.586 1.00 0.00 O ATOM 444 CB THR A 32 3.506 -5.913 -2.234 1.00 0.00 C ATOM 445 OG1 THR A 32 4.660 -5.263 -1.736 1.00 0.00 O ATOM 446 CG2 THR A 32 3.908 -7.382 -2.429 1.00 0.00 C ATOM 0 H THR A 32 3.073 -7.022 -4.456 1.00 0.00 H new ATOM 0 HA THR A 32 1.964 -4.675 -3.071 1.00 0.00 H new ATOM 0 HB THR A 32 2.677 -5.864 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.017 -5.768 -0.976 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.357 -7.761 -1.511 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.024 -7.972 -2.672 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.629 -7.457 -3.243 1.00 0.00 H new ATOM 454 N THR A 33 3.329 -2.901 -4.167 1.00 0.00 N ATOM 455 CA THR A 33 4.135 -1.829 -4.719 1.00 0.00 C ATOM 456 C THR A 33 3.624 -0.511 -4.118 1.00 0.00 C ATOM 457 O THR A 33 2.433 -0.398 -3.832 1.00 0.00 O ATOM 458 CB THR A 33 4.101 -1.919 -6.261 1.00 0.00 C ATOM 459 OG1 THR A 33 4.181 -0.646 -6.859 1.00 0.00 O ATOM 460 CG2 THR A 33 2.892 -2.693 -6.840 1.00 0.00 C ATOM 0 H THR A 33 2.415 -2.600 -3.829 1.00 0.00 H new ATOM 0 HA THR A 33 5.191 -1.899 -4.457 1.00 0.00 H new ATOM 0 HB THR A 33 4.987 -2.502 -6.513 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.625 -0.721 -7.730 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.954 -2.703 -7.928 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.903 -3.717 -6.466 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.967 -2.205 -6.534 1.00 0.00 H new ATOM 468 N ILE A 34 4.499 0.480 -3.936 1.00 0.00 N ATOM 469 CA ILE A 34 4.152 1.787 -3.368 1.00 0.00 C ATOM 470 C ILE A 34 3.475 2.719 -4.382 1.00 0.00 C ATOM 471 O ILE A 34 2.355 3.185 -4.190 1.00 0.00 O ATOM 472 CB ILE A 34 5.396 2.494 -2.767 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.374 1.615 -1.958 1.00 0.00 C ATOM 474 CG2 ILE A 34 4.943 3.645 -1.860 1.00 0.00 C ATOM 475 CD1 ILE A 34 5.877 1.158 -0.583 1.00 0.00 C ATOM 0 H ILE A 34 5.485 0.397 -4.183 1.00 0.00 H new ATOM 0 HA ILE A 34 3.434 1.581 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 34 5.954 2.824 -3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.613 0.731 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.303 2.168 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.817 4.141 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.365 4.362 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.325 3.251 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.643 0.548 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.668 2.030 0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.967 0.570 -0.702 1.00 0.00 H new ATOM 487 N TYR A 35 4.144 2.958 -5.510 1.00 0.00 N ATOM 488 CA TYR A 35 3.698 3.855 -6.573 1.00 0.00 C ATOM 489 C TYR A 35 2.434 3.400 -7.278 1.00 0.00 C ATOM 490 O TYR A 35 1.854 4.152 -8.066 1.00 0.00 O ATOM 491 CB TYR A 35 4.828 4.048 -7.579 1.00 0.00 C ATOM 492 CG TYR A 35 6.103 4.527 -6.922 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.088 3.585 -6.598 1.00 0.00 C ATOM 494 CD2 TYR A 35 6.262 5.870 -6.531 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.226 3.972 -5.885 1.00 0.00 C ATOM 496 CE2 TYR A 35 7.410 6.266 -5.820 1.00 0.00 C ATOM 497 CZ TYR A 35 8.402 5.313 -5.503 1.00 0.00 C ATOM 498 OH TYR A 35 9.527 5.632 -4.814 1.00 0.00 O ATOM 0 H TYR A 35 5.041 2.517 -5.714 1.00 0.00 H new ATOM 0 HA TYR A 35 3.442 4.801 -6.097 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.018 3.106 -8.094 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.519 4.768 -8.336 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.967 2.555 -6.901 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.502 6.597 -6.777 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.974 3.237 -5.626 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.532 7.296 -5.518 1.00 0.00 H new ATOM 0 HH TYR A 35 9.526 6.591 -4.612 1.00 0.00 H new ATOM 508 N GLN A 36 2.047 2.157 -7.048 1.00 0.00 N ATOM 509 CA GLN A 36 0.857 1.589 -7.641 1.00 0.00 C ATOM 510 C GLN A 36 -0.327 1.943 -6.767 1.00 0.00 C ATOM 511 O GLN A 36 -1.288 2.482 -7.298 1.00 0.00 O ATOM 512 CB GLN A 36 1.040 0.093 -7.837 1.00 0.00 C ATOM 513 CG GLN A 36 1.912 -0.216 -9.067 1.00 0.00 C ATOM 514 CD GLN A 36 1.365 0.339 -10.377 1.00 0.00 C ATOM 515 OE1 GLN A 36 1.783 1.399 -10.842 1.00 0.00 O ATOM 516 NE2 GLN A 36 0.440 -0.353 -11.015 1.00 0.00 N ATOM 0 H GLN A 36 2.555 1.513 -6.441 1.00 0.00 H new ATOM 0 HA GLN A 36 0.671 2.002 -8.632 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.500 -0.337 -6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.065 -0.381 -7.953 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.910 0.190 -8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.019 -1.297 -9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.099 -1.231 -10.623 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.066 -0.010 -11.900 1.00 0.00 H new ATOM 525 N ILE A 37 -0.270 1.729 -5.446 1.00 0.00 N ATOM 526 CA ILE A 37 -1.395 2.089 -4.572 1.00 0.00 C ATOM 527 C ILE A 37 -1.663 3.604 -4.622 1.00 0.00 C ATOM 528 O ILE A 37 -2.775 4.050 -4.354 1.00 0.00 O ATOM 529 CB ILE A 37 -1.218 1.543 -3.147 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.037 2.113 -2.468 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.180 0.002 -3.200 1.00 0.00 C ATOM 532 CD1 ILE A 37 -0.003 1.973 -0.953 1.00 0.00 C ATOM 0 H ILE A 37 0.529 1.315 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.292 1.602 -4.953 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.066 1.861 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.919 1.601 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.141 3.166 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.055 -0.394 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.113 -0.371 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.345 -0.320 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.908 2.392 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.868 2.508 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.078 0.919 -0.687 1.00 0.00 H new ATOM 544 N GLU A 38 -0.652 4.386 -5.016 1.00 0.00 N ATOM 545 CA GLU A 38 -0.720 5.831 -5.172 1.00 0.00 C ATOM 546 C GLU A 38 -1.686 6.187 -6.318 1.00 0.00 C ATOM 547 O GLU A 38 -2.229 7.289 -6.339 1.00 0.00 O ATOM 548 CB GLU A 38 0.688 6.337 -5.531 1.00 0.00 C ATOM 549 CG GLU A 38 1.577 6.627 -4.321 1.00 0.00 C ATOM 550 CD GLU A 38 1.427 8.094 -3.938 1.00 0.00 C ATOM 551 OE1 GLU A 38 0.354 8.462 -3.417 1.00 0.00 O ATOM 552 OE2 GLU A 38 2.324 8.898 -4.280 1.00 0.00 O ATOM 0 H GLU A 38 0.268 4.009 -5.242 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.075 6.290 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.180 5.594 -6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.595 7.246 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.295 5.988 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.618 6.403 -4.556 1.00 0.00 H new ATOM 559 N HIS A 39 -1.886 5.281 -7.282 1.00 0.00 N ATOM 560 CA HIS A 39 -2.760 5.452 -8.440 1.00 0.00 C ATOM 561 C HIS A 39 -3.964 4.505 -8.387 1.00 0.00 C ATOM 562 O HIS A 39 -4.983 4.806 -9.013 1.00 0.00 O ATOM 563 CB HIS A 39 -1.950 5.199 -9.724 1.00 0.00 C ATOM 564 CG HIS A 39 -1.076 6.355 -10.152 1.00 0.00 C ATOM 565 ND1 HIS A 39 -1.066 6.932 -11.401 1.00 0.00 N ATOM 566 CD2 HIS A 39 -0.172 7.033 -9.382 1.00 0.00 C ATOM 567 CE1 HIS A 39 -0.180 7.938 -11.390 1.00 0.00 C ATOM 568 NE2 HIS A 39 0.378 8.050 -10.171 1.00 0.00 N ATOM 0 H HIS A 39 -1.423 4.372 -7.273 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.145 6.472 -8.432 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.322 4.321 -9.575 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.641 4.963 -10.534 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.073 6.822 -8.352 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.052 8.567 -12.237 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.068 8.742 -9.878 1.00 0.00 H new ATOM 576 N TYR A 40 -3.878 3.398 -7.647 1.00 0.00 N ATOM 577 CA TYR A 40 -4.949 2.434 -7.494 1.00 0.00 C ATOM 578 C TYR A 40 -5.928 3.038 -6.487 1.00 0.00 C ATOM 579 O TYR A 40 -5.759 2.951 -5.267 1.00 0.00 O ATOM 580 CB TYR A 40 -4.423 1.038 -7.094 1.00 0.00 C ATOM 581 CG TYR A 40 -3.703 0.229 -8.174 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.590 -0.597 -7.872 1.00 0.00 C ATOM 583 CD2 TYR A 40 -4.220 0.208 -9.488 1.00 0.00 C ATOM 584 CE1 TYR A 40 -2.047 -1.427 -8.868 1.00 0.00 C ATOM 585 CE2 TYR A 40 -3.657 -0.607 -10.481 1.00 0.00 C ATOM 586 CZ TYR A 40 -2.567 -1.440 -10.173 1.00 0.00 C ATOM 587 OH TYR A 40 -1.997 -2.253 -11.105 1.00 0.00 O ATOM 0 H TYR A 40 -3.036 3.148 -7.128 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.460 2.252 -8.439 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.741 1.162 -6.253 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.267 0.448 -6.736 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.162 -0.588 -6.881 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.066 0.832 -9.733 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.213 -2.068 -8.625 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.061 -0.595 -11.483 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.467 -2.152 -11.959 1.00 0.00 H new ATOM 597 N SER A 41 -6.941 3.711 -7.020 1.00 0.00 N ATOM 598 CA SER A 41 -8.000 4.369 -6.276 1.00 0.00 C ATOM 599 C SER A 41 -8.896 3.335 -5.568 1.00 0.00 C ATOM 600 O SER A 41 -8.654 2.123 -5.635 1.00 0.00 O ATOM 601 CB SER A 41 -8.762 5.247 -7.283 1.00 0.00 C ATOM 602 OG SER A 41 -7.863 6.143 -7.925 1.00 0.00 O ATOM 0 H SER A 41 -7.048 3.816 -8.029 1.00 0.00 H new ATOM 0 HA SER A 41 -7.607 4.995 -5.475 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.255 4.619 -8.025 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.544 5.808 -6.771 1.00 0.00 H new ATOM 0 HG SER A 41 -8.355 6.697 -8.566 1.00 0.00 H new ATOM 608 N MET A 42 -9.945 3.803 -4.891 1.00 0.00 N ATOM 609 CA MET A 42 -10.900 2.982 -4.140 1.00 0.00 C ATOM 610 C MET A 42 -11.419 1.790 -4.939 1.00 0.00 C ATOM 611 O MET A 42 -11.432 0.661 -4.445 1.00 0.00 O ATOM 612 CB MET A 42 -12.101 3.858 -3.748 1.00 0.00 C ATOM 613 CG MET A 42 -12.441 3.795 -2.269 1.00 0.00 C ATOM 614 SD MET A 42 -12.799 2.137 -1.634 1.00 0.00 S ATOM 615 CE MET A 42 -13.773 2.572 -0.170 1.00 0.00 C ATOM 0 H MET A 42 -10.162 4.799 -4.848 1.00 0.00 H new ATOM 0 HA MET A 42 -10.375 2.593 -3.268 1.00 0.00 H new ATOM 0 HB2 MET A 42 -11.890 4.892 -4.020 1.00 0.00 H new ATOM 0 HB3 MET A 42 -12.971 3.547 -4.326 1.00 0.00 H new ATOM 0 HG2 MET A 42 -11.609 4.212 -1.702 1.00 0.00 H new ATOM 0 HG3 MET A 42 -13.305 4.433 -2.083 1.00 0.00 H new ATOM 0 HE1 MET A 42 -14.080 1.662 0.347 1.00 0.00 H new ATOM 0 HE2 MET A 42 -13.169 3.184 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 42 -14.657 3.132 -0.474 1.00 0.00 H new ATOM 625 N ASP A 43 -11.816 2.034 -6.186 1.00 0.00 N ATOM 626 CA ASP A 43 -12.357 1.007 -7.061 1.00 0.00 C ATOM 627 C ASP A 43 -11.340 -0.079 -7.382 1.00 0.00 C ATOM 628 O ASP A 43 -11.733 -1.230 -7.545 1.00 0.00 O ATOM 629 CB ASP A 43 -12.870 1.633 -8.359 1.00 0.00 C ATOM 630 CG ASP A 43 -14.061 2.546 -8.106 1.00 0.00 C ATOM 631 OD1 ASP A 43 -15.192 2.020 -7.967 1.00 0.00 O ATOM 632 OD2 ASP A 43 -13.841 3.773 -8.027 1.00 0.00 O ATOM 0 H ASP A 43 -11.769 2.957 -6.617 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.182 0.536 -6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.069 2.201 -8.832 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -13.156 0.845 -9.056 1.00 0.00 H new ATOM 637 N ASP A 44 -10.049 0.235 -7.529 1.00 0.00 N ATOM 638 CA ASP A 44 -9.054 -0.796 -7.845 1.00 0.00 C ATOM 639 C ASP A 44 -8.824 -1.677 -6.628 1.00 0.00 C ATOM 640 O ASP A 44 -8.784 -2.899 -6.771 1.00 0.00 O ATOM 641 CB ASP A 44 -7.729 -0.228 -8.374 1.00 0.00 C ATOM 642 CG ASP A 44 -7.620 -0.481 -9.876 1.00 0.00 C ATOM 643 OD1 ASP A 44 -8.348 0.191 -10.637 1.00 0.00 O ATOM 644 OD2 ASP A 44 -6.860 -1.363 -10.326 1.00 0.00 O ATOM 0 H ASP A 44 -9.672 1.178 -7.436 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.462 -1.394 -8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.675 0.842 -8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.891 -0.694 -7.856 1.00 0.00 H new ATOM 649 N LEU A 45 -8.699 -1.078 -5.437 1.00 0.00 N ATOM 650 CA LEU A 45 -8.489 -1.830 -4.202 1.00 0.00 C ATOM 651 C LEU A 45 -9.693 -2.734 -3.951 1.00 0.00 C ATOM 652 O LEU A 45 -9.515 -3.914 -3.642 1.00 0.00 O ATOM 653 CB LEU A 45 -8.184 -0.903 -3.007 1.00 0.00 C ATOM 654 CG LEU A 45 -6.667 -0.748 -2.795 1.00 0.00 C ATOM 655 CD1 LEU A 45 -5.980 -0.056 -3.974 1.00 0.00 C ATOM 656 CD2 LEU A 45 -6.338 -0.009 -1.494 1.00 0.00 C ATOM 0 H LEU A 45 -8.741 -0.067 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.606 -2.459 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.632 0.076 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.641 -1.308 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.276 -1.763 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.912 0.029 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.134 -0.642 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.404 0.939 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.257 0.076 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.780 0.987 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.743 -0.564 -0.648 1.00 0.00 H new ATOM 668 N ALA A 46 -10.911 -2.217 -4.112 1.00 0.00 N ATOM 669 CA ALA A 46 -12.112 -3.016 -3.920 1.00 0.00 C ATOM 670 C ALA A 46 -12.115 -4.171 -4.928 1.00 0.00 C ATOM 671 O ALA A 46 -12.364 -5.317 -4.546 1.00 0.00 O ATOM 672 CB ALA A 46 -13.342 -2.132 -4.069 1.00 0.00 C ATOM 0 H ALA A 46 -11.088 -1.247 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.129 -3.442 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.241 -2.732 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.312 -1.338 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.355 -1.692 -5.066 1.00 0.00 H new ATOM 678 N SER A 47 -11.778 -3.896 -6.193 1.00 0.00 N ATOM 679 CA SER A 47 -11.711 -4.886 -7.261 1.00 0.00 C ATOM 680 C SER A 47 -10.614 -5.927 -6.958 1.00 0.00 C ATOM 681 O SER A 47 -10.677 -7.067 -7.425 1.00 0.00 O ATOM 682 CB SER A 47 -11.526 -4.133 -8.585 1.00 0.00 C ATOM 683 OG SER A 47 -11.462 -4.974 -9.722 1.00 0.00 O ATOM 0 H SER A 47 -11.539 -2.955 -6.505 1.00 0.00 H new ATOM 0 HA SER A 47 -12.631 -5.465 -7.338 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.351 -3.432 -8.711 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.611 -3.543 -8.531 1.00 0.00 H new ATOM 0 HG SER A 47 -11.345 -4.427 -10.527 1.00 0.00 H new ATOM 689 N LEU A 48 -9.597 -5.589 -6.160 1.00 0.00 N ATOM 690 CA LEU A 48 -8.514 -6.490 -5.755 1.00 0.00 C ATOM 691 C LEU A 48 -8.986 -7.382 -4.588 1.00 0.00 C ATOM 692 O LEU A 48 -8.173 -8.084 -3.986 1.00 0.00 O ATOM 693 CB LEU A 48 -7.239 -5.688 -5.419 1.00 0.00 C ATOM 694 CG LEU A 48 -6.467 -5.226 -6.669 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.527 -4.073 -6.310 1.00 0.00 C ATOM 696 CD2 LEU A 48 -5.652 -6.376 -7.276 1.00 0.00 C ATOM 0 H LEU A 48 -9.502 -4.653 -5.766 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.255 -7.150 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.512 -4.816 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.584 -6.302 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.197 -4.891 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.986 -3.754 -7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.108 -3.238 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.816 -4.405 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.118 -6.019 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.935 -6.742 -6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.323 -7.186 -7.562 1.00 0.00 H new ATOM 708 N LYS A 49 -10.301 -7.413 -4.311 1.00 0.00 N ATOM 709 CA LYS A 49 -11.000 -8.164 -3.265 1.00 0.00 C ATOM 710 C LYS A 49 -10.666 -7.649 -1.864 1.00 0.00 C ATOM 711 O LYS A 49 -10.995 -8.304 -0.876 1.00 0.00 O ATOM 712 CB LYS A 49 -10.848 -9.698 -3.421 1.00 0.00 C ATOM 713 CG LYS A 49 -11.411 -10.240 -4.749 1.00 0.00 C ATOM 714 CD LYS A 49 -10.377 -10.352 -5.884 1.00 0.00 C ATOM 715 CE LYS A 49 -11.032 -10.153 -7.254 1.00 0.00 C ATOM 716 NZ LYS A 49 -11.919 -11.269 -7.623 1.00 0.00 N ATOM 0 H LYS A 49 -10.956 -6.862 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.065 -7.975 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.792 -9.960 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.355 -10.191 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.843 -11.224 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.222 -9.590 -5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.594 -9.607 -5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.897 -11.330 -5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.604 -9.225 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.256 -10.044 -8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.337 -11.086 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.371 -12.152 -7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.677 -11.358 -6.916 1.00 0.00 H new ATOM 730 N ILE A 50 -10.035 -6.480 -1.757 1.00 0.00 N ATOM 731 CA ILE A 50 -9.650 -5.884 -0.490 1.00 0.00 C ATOM 732 C ILE A 50 -10.906 -5.278 0.180 1.00 0.00 C ATOM 733 O ILE A 50 -11.565 -4.429 -0.432 1.00 0.00 O ATOM 734 CB ILE A 50 -8.526 -4.850 -0.730 1.00 0.00 C ATOM 735 CG1 ILE A 50 -7.401 -5.328 -1.688 1.00 0.00 C ATOM 736 CG2 ILE A 50 -7.895 -4.488 0.612 1.00 0.00 C ATOM 737 CD1 ILE A 50 -6.564 -6.515 -1.195 1.00 0.00 C ATOM 0 H ILE A 50 -9.775 -5.915 -2.566 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.248 -6.631 0.194 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.001 -3.996 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.853 -5.598 -2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.731 -4.489 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.100 -3.759 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.654 -4.062 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.479 -5.384 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.810 -6.763 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.074 -6.250 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.213 -7.376 -1.034 1.00 0.00 H new ATOM 749 N PRO A 51 -11.267 -5.689 1.411 1.00 0.00 N ATOM 750 CA PRO A 51 -12.432 -5.165 2.121 1.00 0.00 C ATOM 751 C PRO A 51 -12.129 -3.752 2.623 1.00 0.00 C ATOM 752 O PRO A 51 -10.976 -3.417 2.915 1.00 0.00 O ATOM 753 CB PRO A 51 -12.665 -6.133 3.281 1.00 0.00 C ATOM 754 CG PRO A 51 -11.249 -6.592 3.613 1.00 0.00 C ATOM 755 CD PRO A 51 -10.588 -6.675 2.238 1.00 0.00 C ATOM 0 HA PRO A 51 -13.317 -5.093 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.143 -5.643 4.129 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.305 -6.967 2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.737 -5.885 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.245 -7.556 4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.521 -6.462 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.688 -7.675 1.816 1.00 0.00 H new ATOM 763 N GLU A 52 -13.151 -2.912 2.775 1.00 0.00 N ATOM 764 CA GLU A 52 -12.982 -1.536 3.229 1.00 0.00 C ATOM 765 C GLU A 52 -12.335 -1.437 4.614 1.00 0.00 C ATOM 766 O GLU A 52 -11.573 -0.499 4.845 1.00 0.00 O ATOM 767 CB GLU A 52 -14.283 -0.726 3.098 1.00 0.00 C ATOM 768 CG GLU A 52 -15.354 -0.984 4.166 1.00 0.00 C ATOM 769 CD GLU A 52 -15.618 -2.468 4.415 1.00 0.00 C ATOM 770 OE1 GLU A 52 -15.408 -2.896 5.573 1.00 0.00 O ATOM 771 OE2 GLU A 52 -15.936 -3.195 3.447 1.00 0.00 O ATOM 0 H GLU A 52 -14.120 -3.168 2.586 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.265 -1.068 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.030 0.334 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.718 -0.933 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.045 -0.516 5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.284 -0.503 3.861 1.00 0.00 H new ATOM 778 N GLN A 53 -12.551 -2.421 5.497 1.00 0.00 N ATOM 779 CA GLN A 53 -12.007 -2.488 6.856 1.00 0.00 C ATOM 780 C GLN A 53 -10.470 -2.504 6.897 1.00 0.00 C ATOM 781 O GLN A 53 -9.882 -2.243 7.950 1.00 0.00 O ATOM 782 CB GLN A 53 -12.625 -3.694 7.586 1.00 0.00 C ATOM 783 CG GLN A 53 -12.266 -3.723 9.080 1.00 0.00 C ATOM 784 CD GLN A 53 -13.359 -4.355 9.931 1.00 0.00 C ATOM 785 OE1 GLN A 53 -13.487 -5.570 10.018 1.00 0.00 O ATOM 786 NE2 GLN A 53 -14.204 -3.554 10.554 1.00 0.00 N ATOM 0 H GLN A 53 -13.135 -3.226 5.272 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.285 -1.572 7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.709 -3.665 7.476 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.282 -4.615 7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.338 -4.278 9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.083 -2.706 9.426 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.096 -2.542 10.481 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.965 -3.947 11.109 1.00 0.00 H new ATOM 795 N PHE A 54 -9.811 -2.731 5.760 1.00 0.00 N ATOM 796 CA PHE A 54 -8.361 -2.754 5.633 1.00 0.00 C ATOM 797 C PHE A 54 -7.917 -1.896 4.450 1.00 0.00 C ATOM 798 O PHE A 54 -6.944 -1.157 4.595 1.00 0.00 O ATOM 799 CB PHE A 54 -7.884 -4.192 5.531 1.00 0.00 C ATOM 800 CG PHE A 54 -6.535 -4.318 4.892 1.00 0.00 C ATOM 801 CD1 PHE A 54 -6.472 -4.735 3.558 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.374 -3.943 5.586 1.00 0.00 C ATOM 803 CE1 PHE A 54 -5.236 -4.795 2.903 1.00 0.00 C ATOM 804 CE2 PHE A 54 -4.132 -4.022 4.935 1.00 0.00 C ATOM 805 CZ PHE A 54 -4.069 -4.451 3.597 1.00 0.00 C ATOM 0 H PHE A 54 -10.290 -2.909 4.877 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.901 -2.319 6.520 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.849 -4.629 6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.608 -4.769 4.955 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.375 -5.010 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.435 -3.598 6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.183 -5.104 1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.227 -3.754 5.461 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.112 -4.516 3.100 1.00 0.00 H new ATOM 815 N ARG A 55 -8.627 -1.910 3.311 1.00 0.00 N ATOM 816 CA ARG A 55 -8.286 -1.106 2.132 1.00 0.00 C ATOM 817 C ARG A 55 -8.176 0.365 2.526 1.00 0.00 C ATOM 818 O ARG A 55 -7.334 1.083 1.990 1.00 0.00 O ATOM 819 CB ARG A 55 -9.219 -1.388 0.931 1.00 0.00 C ATOM 820 CG ARG A 55 -10.304 -0.359 0.569 1.00 0.00 C ATOM 821 CD ARG A 55 -9.801 0.915 -0.134 1.00 0.00 C ATOM 822 NE ARG A 55 -10.303 2.099 0.571 1.00 0.00 N ATOM 823 CZ ARG A 55 -10.011 3.383 0.370 1.00 0.00 C ATOM 824 NH1 ARG A 55 -9.256 3.791 -0.641 1.00 0.00 N ATOM 825 NH2 ARG A 55 -10.505 4.256 1.232 1.00 0.00 N ATOM 0 H ARG A 55 -9.460 -2.485 3.184 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.304 -1.406 1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.590 -1.526 0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.717 -2.339 1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.038 -0.843 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.823 -0.068 1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.711 0.926 -0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.138 0.927 -1.171 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.969 1.913 1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.875 3.112 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.056 4.784 -0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.082 3.935 2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.309 5.251 1.120 1.00 0.00 H new ATOM 839 N HIS A 56 -8.989 0.808 3.489 1.00 0.00 N ATOM 840 CA HIS A 56 -8.932 2.181 3.938 1.00 0.00 C ATOM 841 C HIS A 56 -7.586 2.501 4.552 1.00 0.00 C ATOM 842 O HIS A 56 -7.079 3.584 4.331 1.00 0.00 O ATOM 843 CB HIS A 56 -10.026 2.471 4.992 1.00 0.00 C ATOM 844 CG HIS A 56 -9.705 2.066 6.418 1.00 0.00 C ATOM 845 ND1 HIS A 56 -9.411 2.915 7.464 1.00 0.00 N ATOM 846 CD2 HIS A 56 -9.502 0.789 6.868 1.00 0.00 C ATOM 847 CE1 HIS A 56 -9.009 2.162 8.501 1.00 0.00 C ATOM 848 NE2 HIS A 56 -9.034 0.858 8.183 1.00 0.00 N ATOM 0 H HIS A 56 -9.685 0.233 3.963 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.093 2.805 3.059 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.240 3.540 4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.939 1.960 4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.674 -0.116 6.304 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.706 2.553 9.461 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.766 0.076 8.780 1.00 0.00 H new ATOM 856 N ALA A 57 -7.011 1.577 5.313 1.00 0.00 N ATOM 857 CA ALA A 57 -5.757 1.793 6.002 1.00 0.00 C ATOM 858 C ALA A 57 -4.591 1.921 5.050 1.00 0.00 C ATOM 859 O ALA A 57 -3.838 2.891 5.156 1.00 0.00 O ATOM 860 CB ALA A 57 -5.531 0.696 7.027 1.00 0.00 C ATOM 0 H ALA A 57 -7.410 0.651 5.467 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.823 2.747 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.585 0.867 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.344 0.703 7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.502 -0.271 6.525 1.00 0.00 H new ATOM 866 N ILE A 58 -4.447 0.969 4.130 1.00 0.00 N ATOM 867 CA ILE A 58 -3.365 1.006 3.164 1.00 0.00 C ATOM 868 C ILE A 58 -3.425 2.308 2.376 1.00 0.00 C ATOM 869 O ILE A 58 -2.427 3.024 2.263 1.00 0.00 O ATOM 870 CB ILE A 58 -3.416 -0.231 2.232 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.572 0.012 0.957 1.00 0.00 C ATOM 872 CG2 ILE A 58 -4.812 -0.679 1.788 1.00 0.00 C ATOM 873 CD1 ILE A 58 -2.326 -1.244 0.118 1.00 0.00 C ATOM 0 H ILE A 58 -5.069 0.166 4.038 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.412 0.970 3.692 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.013 -1.032 2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.075 0.756 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.610 0.436 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.725 -1.551 1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.408 -0.935 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.298 0.131 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.728 -0.986 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.794 -1.983 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.281 -1.658 -0.205 1.00 0.00 H new ATOM 885 N TRP A 59 -4.606 2.606 1.838 1.00 0.00 N ATOM 886 CA TRP A 59 -4.769 3.783 1.024 1.00 0.00 C ATOM 887 C TRP A 59 -4.624 5.085 1.808 1.00 0.00 C ATOM 888 O TRP A 59 -3.815 5.935 1.440 1.00 0.00 O ATOM 889 CB TRP A 59 -6.085 3.629 0.294 1.00 0.00 C ATOM 890 CG TRP A 59 -6.149 4.467 -0.919 1.00 0.00 C ATOM 891 CD1 TRP A 59 -5.518 4.226 -2.088 1.00 0.00 C ATOM 892 CD2 TRP A 59 -6.871 5.706 -1.077 1.00 0.00 C ATOM 893 NE1 TRP A 59 -5.877 5.217 -2.987 1.00 0.00 N ATOM 894 CE2 TRP A 59 -6.716 6.152 -2.414 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.663 6.468 -0.203 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -7.340 7.319 -2.869 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.301 7.635 -0.650 1.00 0.00 C ATOM 898 CH2 TRP A 59 -8.132 8.063 -1.976 1.00 0.00 C ATOM 0 H TRP A 59 -5.451 2.047 1.956 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.961 3.864 0.296 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.227 2.584 0.020 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.903 3.897 0.962 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.849 3.402 -2.288 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.560 5.252 -3.956 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.782 6.153 0.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -7.215 7.644 -3.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.922 8.204 0.026 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.613 8.969 -2.313 1.00 0.00 H new ATOM 909 N LYS A 60 -5.371 5.252 2.900 1.00 0.00 N ATOM 910 CA LYS A 60 -5.309 6.443 3.742 1.00 0.00 C ATOM 911 C LYS A 60 -3.879 6.653 4.214 1.00 0.00 C ATOM 912 O LYS A 60 -3.416 7.780 4.209 1.00 0.00 O ATOM 913 CB LYS A 60 -6.245 6.260 4.946 1.00 0.00 C ATOM 914 CG LYS A 60 -6.270 7.406 5.959 1.00 0.00 C ATOM 915 CD LYS A 60 -6.973 6.923 7.236 1.00 0.00 C ATOM 916 CE LYS A 60 -6.923 7.977 8.339 1.00 0.00 C ATOM 917 NZ LYS A 60 -5.574 8.175 8.908 1.00 0.00 N ATOM 0 H LYS A 60 -6.042 4.556 3.226 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.626 7.318 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.258 6.109 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.958 5.347 5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.255 7.730 6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.794 8.266 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.012 6.681 7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.501 6.006 7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.283 8.925 7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.606 7.688 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.633 8.813 9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.187 7.258 9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.951 8.593 8.187 1.00 0.00 H new ATOM 931 N GLY A 61 -3.183 5.584 4.602 1.00 0.00 N ATOM 932 CA GLY A 61 -1.821 5.636 5.091 1.00 0.00 C ATOM 933 C GLY A 61 -0.861 6.187 4.059 1.00 0.00 C ATOM 934 O GLY A 61 -0.074 7.073 4.385 1.00 0.00 O ATOM 0 H GLY A 61 -3.567 4.639 4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.782 6.255 5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.503 4.635 5.382 1.00 0.00 H new ATOM 938 N ILE A 62 -0.909 5.696 2.818 1.00 0.00 N ATOM 939 CA ILE A 62 0.018 6.202 1.818 1.00 0.00 C ATOM 940 C ILE A 62 -0.335 7.618 1.447 1.00 0.00 C ATOM 941 O ILE A 62 0.563 8.450 1.391 1.00 0.00 O ATOM 942 CB ILE A 62 0.137 5.264 0.613 1.00 0.00 C ATOM 943 CG1 ILE A 62 1.506 5.400 -0.086 1.00 0.00 C ATOM 944 CG2 ILE A 62 -0.963 5.402 -0.455 1.00 0.00 C ATOM 945 CD1 ILE A 62 2.675 4.872 0.752 1.00 0.00 C ATOM 0 H ILE A 62 -1.555 4.976 2.495 1.00 0.00 H new ATOM 0 HA ILE A 62 1.017 6.227 2.253 1.00 0.00 H new ATOM 0 HB ILE A 62 0.019 4.278 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.476 4.862 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.683 6.450 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.779 4.691 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.935 5.197 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.955 6.415 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.606 4.999 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.731 5.426 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.521 3.814 0.965 1.00 0.00 H new ATOM 957 N LEU A 63 -1.627 7.893 1.238 1.00 0.00 N ATOM 958 CA LEU A 63 -2.059 9.234 0.884 1.00 0.00 C ATOM 959 C LEU A 63 -1.710 10.186 2.017 1.00 0.00 C ATOM 960 O LEU A 63 -1.431 11.343 1.753 1.00 0.00 O ATOM 961 CB LEU A 63 -3.554 9.304 0.549 1.00 0.00 C ATOM 962 CG LEU A 63 -3.815 9.220 -0.966 1.00 0.00 C ATOM 963 CD1 LEU A 63 -3.394 7.885 -1.583 1.00 0.00 C ATOM 964 CD2 LEU A 63 -5.306 9.403 -1.202 1.00 0.00 C ATOM 0 H LEU A 63 -2.379 7.207 1.309 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.532 9.530 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.076 8.490 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.968 10.235 0.936 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.217 9.998 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.606 7.895 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.326 7.733 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.949 7.075 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.515 9.347 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.856 8.618 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.618 10.376 -0.822 1.00 0.00 H new ATOM 976 N ASP A 64 -1.729 9.721 3.263 1.00 0.00 N ATOM 977 CA ASP A 64 -1.413 10.564 4.425 1.00 0.00 C ATOM 978 C ASP A 64 0.089 10.855 4.427 1.00 0.00 C ATOM 979 O ASP A 64 0.528 11.974 4.660 1.00 0.00 O ATOM 980 CB ASP A 64 -1.767 9.889 5.778 1.00 0.00 C ATOM 981 CG ASP A 64 -3.208 10.032 6.293 1.00 0.00 C ATOM 982 OD1 ASP A 64 -3.584 9.284 7.238 1.00 0.00 O ATOM 983 OD2 ASP A 64 -3.956 10.938 5.871 1.00 0.00 O ATOM 0 H ASP A 64 -1.961 8.757 3.501 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.011 11.471 4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.547 8.825 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.098 10.291 6.539 1.00 0.00 H new ATOM 988 N HIS A 65 0.880 9.808 4.200 1.00 0.00 N ATOM 989 CA HIS A 65 2.329 9.822 4.191 1.00 0.00 C ATOM 990 C HIS A 65 2.822 10.787 3.135 1.00 0.00 C ATOM 991 O HIS A 65 3.567 11.707 3.460 1.00 0.00 O ATOM 992 CB HIS A 65 2.893 8.404 3.999 1.00 0.00 C ATOM 993 CG HIS A 65 4.393 8.402 3.848 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.290 9.080 4.645 1.00 0.00 N ATOM 995 CD2 HIS A 65 5.090 7.848 2.809 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.502 8.960 4.083 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.441 8.195 2.977 1.00 0.00 N ATOM 0 H HIS A 65 0.500 8.881 4.008 1.00 0.00 H new ATOM 0 HA HIS A 65 2.693 10.170 5.158 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.615 7.786 4.853 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.440 7.951 3.117 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.678 7.253 2.007 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.404 9.415 4.466 1.00 0.00 H new ATOM 0 HE2 HIS A 65 7.221 7.921 2.379 1.00 0.00 H new ATOM 1005 N ARG A 66 2.409 10.595 1.885 1.00 0.00 N ATOM 1006 CA ARG A 66 2.802 11.471 0.789 1.00 0.00 C ATOM 1007 C ARG A 66 2.223 12.866 1.033 1.00 0.00 C ATOM 1008 O ARG A 66 2.841 13.853 0.634 1.00 0.00 O ATOM 1009 CB ARG A 66 2.410 10.843 -0.554 1.00 0.00 C ATOM 1010 CG ARG A 66 0.904 10.559 -0.672 1.00 0.00 C ATOM 1011 CD ARG A 66 0.180 11.534 -1.576 1.00 0.00 C ATOM 1012 NE ARG A 66 0.560 11.244 -2.964 1.00 0.00 N ATOM 1013 CZ ARG A 66 1.139 12.056 -3.845 1.00 0.00 C ATOM 1014 NH1 ARG A 66 1.083 13.371 -3.687 1.00 0.00 N ATOM 1015 NH2 ARG A 66 1.783 11.524 -4.876 1.00 0.00 N ATOM 0 H ARG A 66 1.795 9.830 1.606 1.00 0.00 H new ATOM 0 HA ARG A 66 3.885 11.590 0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.712 11.510 -1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.960 9.912 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.761 9.547 -1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.456 10.593 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.899 11.440 -1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.443 12.560 -1.317 1.00 0.00 H new ATOM 0 HE ARG A 66 0.354 10.301 -3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.593 13.768 -2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.530 13.986 -4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.827 10.510 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.234 12.129 -5.563 1.00 0.00 H new ATOM 1029 N GLN A 67 1.055 12.980 1.680 1.00 0.00 N ATOM 1030 CA GLN A 67 0.501 14.304 1.980 1.00 0.00 C ATOM 1031 C GLN A 67 1.228 14.944 3.185 1.00 0.00 C ATOM 1032 O GLN A 67 1.119 16.154 3.382 1.00 0.00 O ATOM 1033 CB GLN A 67 -1.029 14.293 2.117 1.00 0.00 C ATOM 1034 CG GLN A 67 -1.680 14.157 0.721 1.00 0.00 C ATOM 1035 CD GLN A 67 -3.188 13.890 0.720 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -3.911 14.228 1.658 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -3.709 13.320 -0.360 1.00 0.00 N ATOM 0 H GLN A 67 0.489 12.193 1.998 1.00 0.00 H new ATOM 0 HA GLN A 67 0.692 14.946 1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.340 13.466 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.367 15.211 2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.490 15.072 0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.185 13.347 0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.104 13.043 -1.133 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.715 13.159 -0.417 1.00 0.00 H new ATOM 1046 N LEU A 68 2.039 14.201 3.946 1.00 0.00 N ATOM 1047 CA LEU A 68 2.800 14.693 5.096 1.00 0.00 C ATOM 1048 C LEU A 68 4.315 14.724 4.857 1.00 0.00 C ATOM 1049 O LEU A 68 5.029 15.277 5.697 1.00 0.00 O ATOM 1050 CB LEU A 68 2.466 13.854 6.338 1.00 0.00 C ATOM 1051 CG LEU A 68 1.108 14.234 6.954 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.650 13.117 7.889 1.00 0.00 C ATOM 1053 CD2 LEU A 68 1.218 15.546 7.747 1.00 0.00 C ATOM 0 H LEU A 68 2.188 13.207 3.771 1.00 0.00 H new ATOM 0 HA LEU A 68 2.499 15.729 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.457 12.798 6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.250 13.986 7.084 1.00 0.00 H new ATOM 0 HG LEU A 68 0.385 14.372 6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.312 13.382 8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.549 12.189 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.386 12.982 8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.247 15.796 8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.947 15.427 8.549 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.539 16.348 7.082 1.00 0.00 H new ATOM 1065 N HIS A 69 4.812 14.179 3.748 1.00 0.00 N ATOM 1066 CA HIS A 69 6.219 14.113 3.394 1.00 0.00 C ATOM 1067 C HIS A 69 6.304 14.208 1.873 1.00 0.00 C ATOM 1068 O HIS A 69 5.754 13.350 1.186 1.00 0.00 O ATOM 1069 CB HIS A 69 6.781 12.783 3.925 1.00 0.00 C ATOM 1070 CG HIS A 69 8.277 12.753 4.092 1.00 0.00 C ATOM 1071 ND1 HIS A 69 8.983 13.412 5.075 1.00 0.00 N ATOM 1072 CD2 HIS A 69 9.150 11.938 3.424 1.00 0.00 C ATOM 1073 CE1 HIS A 69 10.257 12.991 5.018 1.00 0.00 C ATOM 1074 NE2 HIS A 69 10.401 12.086 4.036 1.00 0.00 N ATOM 0 H HIS A 69 4.212 13.753 3.042 1.00 0.00 H new ATOM 0 HA HIS A 69 6.805 14.922 3.830 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.317 12.567 4.888 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.489 11.983 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.918 11.301 2.583 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.050 13.331 5.667 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.260 11.598 3.783 1.00 0.00 H new ATOM 1082 N ASP A 70 6.875 15.297 1.353 1.00 0.00 N ATOM 1083 CA ASP A 70 7.052 15.566 -0.075 1.00 0.00 C ATOM 1084 C ASP A 70 8.231 14.758 -0.587 1.00 0.00 C ATOM 1085 O ASP A 70 9.371 15.062 -0.169 1.00 0.00 O ATOM 1086 CB ASP A 70 7.274 17.072 -0.319 1.00 0.00 C ATOM 1087 CG ASP A 70 7.486 17.432 -1.796 1.00 0.00 C ATOM 1088 OD1 ASP A 70 7.132 16.624 -2.684 1.00 0.00 O ATOM 1089 OD2 ASP A 70 7.794 18.617 -2.074 1.00 0.00 O ATOM 0 H ASP A 70 7.242 16.046 1.940 1.00 0.00 H new ATOM 0 HA ASP A 70 6.152 15.272 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.414 17.623 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.141 17.400 0.254 1.00 0.00 H new TER 1094 ASP A 70