USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 545 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 1 GLY N :NH3+ -99:sc= 0.06 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -3.64! C(o=-3.6!,f=-5.8!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 41:sc= 0.143 USER MOD Single : A 32 HIS : no HE2:sc= -0.567 K(o=-0.57,f=-2) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0567 USER MOD Single : A 43 ASN : amide:sc= -0.0524 K(o=-0.052,f=-1.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0466 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -167:sc= 0.00947 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -2.58! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.0165 X(o=-0.016,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -1.86 K(o=-1.9,f=-6.2!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.726 -8.572 29.597 1.00 0.00 N ATOM 2 CA GLY A 1 20.701 -8.631 28.524 1.00 0.00 C ATOM 3 C GLY A 1 20.775 -7.339 27.736 1.00 0.00 C ATOM 4 O GLY A 1 19.831 -6.548 27.737 1.00 0.00 O ATOM 0 H1 GLY A 1 20.210 -8.374 30.496 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.038 -7.817 29.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.229 -9.483 29.665 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.683 -8.855 28.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.446 -9.449 27.851 1.00 0.00 H new ATOM 8 N SER A 2 21.899 -7.122 27.062 1.00 0.00 N ATOM 9 CA SER A 2 22.095 -5.913 26.270 1.00 0.00 C ATOM 10 C SER A 2 22.132 -6.239 24.780 1.00 0.00 C ATOM 11 O SER A 2 22.713 -7.243 24.367 1.00 0.00 O ATOM 12 CB SER A 2 23.391 -5.212 26.682 1.00 0.00 C ATOM 13 OG SER A 2 24.494 -6.100 26.616 1.00 0.00 O ATOM 0 H SER A 2 22.689 -7.768 27.048 1.00 0.00 H new ATOM 0 HA SER A 2 21.254 -5.246 26.458 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.569 -4.357 26.030 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.292 -4.824 27.696 1.00 0.00 H new ATOM 0 HG SER A 2 25.310 -5.628 26.882 1.00 0.00 H new ATOM 19 N SER A 3 21.506 -5.383 23.978 1.00 0.00 N ATOM 20 CA SER A 3 21.463 -5.581 22.534 1.00 0.00 C ATOM 21 C SER A 3 22.639 -4.886 21.855 1.00 0.00 C ATOM 22 O SER A 3 22.878 -3.697 22.065 1.00 0.00 O ATOM 23 CB SER A 3 20.145 -5.052 21.964 1.00 0.00 C ATOM 24 OG SER A 3 19.037 -5.726 22.534 1.00 0.00 O ATOM 0 H SER A 3 21.022 -4.546 24.304 1.00 0.00 H new ATOM 0 HA SER A 3 21.532 -6.651 22.337 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.064 -3.983 22.159 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.135 -5.180 20.882 1.00 0.00 H new ATOM 0 HG SER A 3 18.207 -5.369 22.155 1.00 0.00 H new ATOM 30 N GLY A 4 23.372 -5.637 21.039 1.00 0.00 N ATOM 31 CA GLY A 4 24.515 -5.078 20.341 1.00 0.00 C ATOM 32 C GLY A 4 24.970 -5.946 19.185 1.00 0.00 C ATOM 33 O GLY A 4 25.838 -6.804 19.348 1.00 0.00 O ATOM 0 H GLY A 4 23.195 -6.623 20.849 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.259 -4.086 19.968 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.339 -4.952 21.043 1.00 0.00 H new ATOM 37 N SER A 5 24.383 -5.724 18.013 1.00 0.00 N ATOM 38 CA SER A 5 24.729 -6.497 16.826 1.00 0.00 C ATOM 39 C SER A 5 24.421 -5.709 15.556 1.00 0.00 C ATOM 40 O SER A 5 23.385 -5.053 15.455 1.00 0.00 O ATOM 41 CB SER A 5 23.967 -7.823 16.814 1.00 0.00 C ATOM 42 OG SER A 5 24.208 -8.540 15.615 1.00 0.00 O ATOM 0 H SER A 5 23.666 -5.015 17.860 1.00 0.00 H new ATOM 0 HA SER A 5 25.799 -6.702 16.856 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.269 -8.427 17.669 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.899 -7.633 16.919 1.00 0.00 H new ATOM 0 HG SER A 5 23.711 -9.384 15.633 1.00 0.00 H new ATOM 48 N SER A 6 25.330 -5.781 14.588 1.00 0.00 N ATOM 49 CA SER A 6 25.159 -5.072 13.326 1.00 0.00 C ATOM 50 C SER A 6 24.897 -6.050 12.184 1.00 0.00 C ATOM 51 O SER A 6 25.456 -7.145 12.150 1.00 0.00 O ATOM 52 CB SER A 6 26.399 -4.230 13.017 1.00 0.00 C ATOM 53 OG SER A 6 26.391 -3.786 11.671 1.00 0.00 O ATOM 0 H SER A 6 26.192 -6.323 14.654 1.00 0.00 H new ATOM 0 HA SER A 6 24.296 -4.413 13.422 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.435 -3.371 13.687 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.298 -4.818 13.204 1.00 0.00 H new ATOM 0 HG SER A 6 27.192 -3.249 11.499 1.00 0.00 H new ATOM 59 N GLY A 7 24.042 -5.645 11.250 1.00 0.00 N ATOM 60 CA GLY A 7 23.720 -6.496 10.120 1.00 0.00 C ATOM 61 C GLY A 7 24.740 -6.388 9.004 1.00 0.00 C ATOM 62 O GLY A 7 24.843 -5.354 8.346 1.00 0.00 O ATOM 0 H GLY A 7 23.567 -4.743 11.256 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.660 -7.532 10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.736 -6.228 9.736 1.00 0.00 H new ATOM 66 N ASN A 8 25.498 -7.459 8.791 1.00 0.00 N ATOM 67 CA ASN A 8 26.517 -7.480 7.748 1.00 0.00 C ATOM 68 C ASN A 8 25.905 -7.175 6.384 1.00 0.00 C ATOM 69 O ASN A 8 26.546 -6.567 5.527 1.00 0.00 O ATOM 70 CB ASN A 8 27.214 -8.841 7.714 1.00 0.00 C ATOM 71 CG ASN A 8 26.372 -9.905 7.037 1.00 0.00 C ATOM 72 OD1 ASN A 8 26.563 -10.206 5.858 1.00 0.00 O ATOM 73 ND2 ASN A 8 25.435 -10.480 7.781 1.00 0.00 N ATOM 0 H ASN A 8 25.426 -8.324 9.327 1.00 0.00 H new ATOM 0 HA ASN A 8 27.252 -6.709 7.977 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.165 -8.746 7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 8 27.441 -9.155 8.733 1.00 0.00 H new ATOM 0 HD21 ASN A 8 24.838 -11.203 7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 8 25.312 -10.199 8.754 1.00 0.00 H new ATOM 80 N VAL A 9 24.661 -7.601 6.191 1.00 0.00 N ATOM 81 CA VAL A 9 23.962 -7.372 4.932 1.00 0.00 C ATOM 82 C VAL A 9 22.485 -7.076 5.170 1.00 0.00 C ATOM 83 O VAL A 9 21.786 -7.847 5.827 1.00 0.00 O ATOM 84 CB VAL A 9 24.086 -8.586 3.993 1.00 0.00 C ATOM 85 CG1 VAL A 9 25.507 -8.710 3.464 1.00 0.00 C ATOM 86 CG2 VAL A 9 23.662 -9.859 4.709 1.00 0.00 C ATOM 0 H VAL A 9 24.117 -8.106 6.890 1.00 0.00 H new ATOM 0 HA VAL A 9 24.432 -6.508 4.461 1.00 0.00 H new ATOM 0 HB VAL A 9 23.420 -8.435 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.575 -9.574 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 9 25.770 -7.808 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 9 26.196 -8.838 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 9 23.756 -10.707 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 9 24.300 -10.017 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 9 22.625 -9.766 5.032 1.00 0.00 H new ATOM 96 N GLN A 10 22.018 -5.955 4.631 1.00 0.00 N ATOM 97 CA GLN A 10 20.624 -5.557 4.785 1.00 0.00 C ATOM 98 C GLN A 10 20.161 -4.723 3.595 1.00 0.00 C ATOM 99 O GLN A 10 20.845 -3.790 3.176 1.00 0.00 O ATOM 100 CB GLN A 10 20.437 -4.765 6.081 1.00 0.00 C ATOM 101 CG GLN A 10 19.057 -4.143 6.221 1.00 0.00 C ATOM 102 CD GLN A 10 18.902 -3.351 7.504 1.00 0.00 C ATOM 103 OE1 GLN A 10 19.638 -2.395 7.749 1.00 0.00 O ATOM 104 NE2 GLN A 10 17.940 -3.744 8.330 1.00 0.00 N ATOM 0 H GLN A 10 22.584 -5.306 4.084 1.00 0.00 H new ATOM 0 HA GLN A 10 20.018 -6.462 4.830 1.00 0.00 H new ATOM 0 HB2 GLN A 10 20.616 -5.425 6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 10 21.188 -3.976 6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 10 18.869 -3.489 5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 10 18.303 -4.930 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 10 17.353 -4.542 8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 10 17.788 -3.248 9.208 1.00 0.00 H new ATOM 113 N GLU A 11 18.995 -5.066 3.056 1.00 0.00 N ATOM 114 CA GLU A 11 18.442 -4.348 1.913 1.00 0.00 C ATOM 115 C GLU A 11 16.946 -4.107 2.094 1.00 0.00 C ATOM 116 O GLU A 11 16.252 -4.898 2.731 1.00 0.00 O ATOM 117 CB GLU A 11 18.691 -5.132 0.622 1.00 0.00 C ATOM 118 CG GLU A 11 18.280 -6.592 0.708 1.00 0.00 C ATOM 119 CD GLU A 11 19.363 -7.469 1.305 1.00 0.00 C ATOM 120 OE1 GLU A 11 20.492 -7.463 0.771 1.00 0.00 O ATOM 121 OE2 GLU A 11 19.082 -8.161 2.306 1.00 0.00 O ATOM 0 H GLU A 11 18.416 -5.835 3.392 1.00 0.00 H new ATOM 0 HA GLU A 11 18.942 -3.382 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.145 -4.657 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.750 -5.076 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.376 -6.676 1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.032 -6.955 -0.289 1.00 0.00 H new ATOM 128 N GLU A 12 16.458 -3.007 1.529 1.00 0.00 N ATOM 129 CA GLU A 12 15.045 -2.660 1.630 1.00 0.00 C ATOM 130 C GLU A 12 14.332 -2.893 0.301 1.00 0.00 C ATOM 131 O GLU A 12 13.619 -2.021 -0.195 1.00 0.00 O ATOM 132 CB GLU A 12 14.885 -1.200 2.058 1.00 0.00 C ATOM 133 CG GLU A 12 15.587 -0.215 1.138 1.00 0.00 C ATOM 134 CD GLU A 12 14.980 1.173 1.197 1.00 0.00 C ATOM 135 OE1 GLU A 12 14.033 1.440 0.428 1.00 0.00 O ATOM 136 OE2 GLU A 12 15.453 1.993 2.012 1.00 0.00 O ATOM 0 H GLU A 12 17.019 -2.342 0.997 1.00 0.00 H new ATOM 0 HA GLU A 12 14.592 -3.304 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.823 -0.956 2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.275 -1.082 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.641 -0.158 1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.541 -0.584 0.114 1.00 0.00 H new ATOM 143 N VAL A 13 14.531 -4.077 -0.271 1.00 0.00 N ATOM 144 CA VAL A 13 13.907 -4.426 -1.541 1.00 0.00 C ATOM 145 C VAL A 13 13.264 -5.807 -1.477 1.00 0.00 C ATOM 146 O VAL A 13 13.508 -6.659 -2.332 1.00 0.00 O ATOM 147 CB VAL A 13 14.929 -4.401 -2.694 1.00 0.00 C ATOM 148 CG1 VAL A 13 15.282 -2.969 -3.064 1.00 0.00 C ATOM 149 CG2 VAL A 13 16.176 -5.186 -2.316 1.00 0.00 C ATOM 0 H VAL A 13 15.119 -4.810 0.125 1.00 0.00 H new ATOM 0 HA VAL A 13 13.137 -3.678 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 13 14.479 -4.875 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 13 16.005 -2.972 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.381 -2.442 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 13 15.713 -2.465 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.887 -5.158 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 13 16.630 -4.743 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 13 15.905 -6.220 -2.105 1.00 0.00 H new ATOM 159 N THR A 14 12.440 -6.023 -0.456 1.00 0.00 N ATOM 160 CA THR A 14 11.762 -7.300 -0.278 1.00 0.00 C ATOM 161 C THR A 14 10.370 -7.106 0.313 1.00 0.00 C ATOM 162 O THR A 14 10.223 -6.612 1.431 1.00 0.00 O ATOM 163 CB THR A 14 12.568 -8.243 0.635 1.00 0.00 C ATOM 164 OG1 THR A 14 13.450 -7.481 1.468 1.00 0.00 O ATOM 165 CG2 THR A 14 13.373 -9.237 -0.189 1.00 0.00 C ATOM 0 H THR A 14 12.226 -5.329 0.260 1.00 0.00 H new ATOM 0 HA THR A 14 11.675 -7.751 -1.266 1.00 0.00 H new ATOM 0 HB THR A 14 11.867 -8.797 1.259 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.958 -8.087 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.934 -9.892 0.477 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.697 -9.834 -0.801 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.066 -8.698 -0.835 1.00 0.00 H new ATOM 173 N CYS A 15 9.351 -7.499 -0.443 1.00 0.00 N ATOM 174 CA CYS A 15 7.970 -7.369 0.006 1.00 0.00 C ATOM 175 C CYS A 15 7.792 -7.967 1.398 1.00 0.00 C ATOM 176 O CYS A 15 7.833 -9.182 1.589 1.00 0.00 O ATOM 177 CB CYS A 15 7.024 -8.057 -0.981 1.00 0.00 C ATOM 178 SG CYS A 15 5.267 -7.639 -0.740 1.00 0.00 S ATOM 0 H CYS A 15 9.456 -7.911 -1.370 1.00 0.00 H new ATOM 0 HA CYS A 15 7.728 -6.307 0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.315 -7.786 -1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.145 -9.137 -0.892 1.00 0.00 H new ATOM 183 N PRO A 16 7.590 -7.093 2.396 1.00 0.00 N ATOM 184 CA PRO A 16 7.401 -7.511 3.788 1.00 0.00 C ATOM 185 C PRO A 16 6.067 -8.217 4.005 1.00 0.00 C ATOM 186 O PRO A 16 5.813 -8.767 5.077 1.00 0.00 O ATOM 187 CB PRO A 16 7.439 -6.191 4.562 1.00 0.00 C ATOM 188 CG PRO A 16 7.018 -5.159 3.574 1.00 0.00 C ATOM 189 CD PRO A 16 7.529 -5.630 2.241 1.00 0.00 C ATOM 0 HA PRO A 16 8.157 -8.229 4.105 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.766 -6.216 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.438 -5.986 4.946 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.933 -5.051 3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.432 -4.183 3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.862 -5.339 1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.509 -5.209 2.015 1.00 0.00 H new ATOM 197 N ILE A 17 5.219 -8.199 2.982 1.00 0.00 N ATOM 198 CA ILE A 17 3.913 -8.840 3.062 1.00 0.00 C ATOM 199 C ILE A 17 4.016 -10.335 2.782 1.00 0.00 C ATOM 200 O ILE A 17 3.820 -11.160 3.675 1.00 0.00 O ATOM 201 CB ILE A 17 2.916 -8.211 2.070 1.00 0.00 C ATOM 202 CG1 ILE A 17 2.856 -6.695 2.267 1.00 0.00 C ATOM 203 CG2 ILE A 17 1.536 -8.828 2.244 1.00 0.00 C ATOM 204 CD1 ILE A 17 2.044 -5.980 1.209 1.00 0.00 C ATOM 0 H ILE A 17 5.413 -7.747 2.088 1.00 0.00 H new ATOM 0 HA ILE A 17 3.548 -8.688 4.078 1.00 0.00 H new ATOM 0 HB ILE A 17 3.258 -8.414 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.430 -6.481 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.870 -6.296 2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.842 -8.374 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.591 -9.901 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.184 -8.652 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.045 -4.909 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.482 -6.164 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.019 -6.351 1.224 1.00 0.00 H new ATOM 216 N CYS A 18 4.326 -10.678 1.536 1.00 0.00 N ATOM 217 CA CYS A 18 4.457 -12.074 1.137 1.00 0.00 C ATOM 218 C CYS A 18 5.837 -12.616 1.498 1.00 0.00 C ATOM 219 O CYS A 18 6.043 -13.829 1.562 1.00 0.00 O ATOM 220 CB CYS A 18 4.216 -12.221 -0.367 1.00 0.00 C ATOM 221 SG CYS A 18 5.354 -11.245 -1.401 1.00 0.00 S ATOM 0 H CYS A 18 4.491 -10.008 0.785 1.00 0.00 H new ATOM 0 HA CYS A 18 3.707 -12.652 1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.308 -13.273 -0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.192 -11.922 -0.591 1.00 0.00 H new ATOM 226 N LEU A 19 6.779 -11.709 1.733 1.00 0.00 N ATOM 227 CA LEU A 19 8.141 -12.095 2.088 1.00 0.00 C ATOM 228 C LEU A 19 8.802 -12.867 0.951 1.00 0.00 C ATOM 229 O LEU A 19 8.759 -14.096 0.915 1.00 0.00 O ATOM 230 CB LEU A 19 8.136 -12.944 3.360 1.00 0.00 C ATOM 231 CG LEU A 19 7.324 -12.392 4.533 1.00 0.00 C ATOM 232 CD1 LEU A 19 7.167 -13.446 5.617 1.00 0.00 C ATOM 233 CD2 LEU A 19 7.982 -11.140 5.095 1.00 0.00 C ATOM 0 H LEU A 19 6.625 -10.702 1.684 1.00 0.00 H new ATOM 0 HA LEU A 19 8.715 -11.186 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.751 -13.933 3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.167 -13.077 3.688 1.00 0.00 H new ATOM 0 HG LEU A 19 6.332 -12.125 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.587 -13.035 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.651 -14.315 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.151 -13.746 5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.391 -10.761 5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.986 -11.382 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.041 -10.379 4.317 1.00 0.00 H new ATOM 245 N GLU A 20 9.415 -12.136 0.025 1.00 0.00 N ATOM 246 CA GLU A 20 10.087 -12.753 -1.113 1.00 0.00 C ATOM 247 C GLU A 20 10.954 -11.736 -1.850 1.00 0.00 C ATOM 248 O GLU A 20 11.121 -10.602 -1.399 1.00 0.00 O ATOM 249 CB GLU A 20 9.061 -13.357 -2.074 1.00 0.00 C ATOM 250 CG GLU A 20 8.333 -12.322 -2.916 1.00 0.00 C ATOM 251 CD GLU A 20 7.129 -12.898 -3.636 1.00 0.00 C ATOM 252 OE1 GLU A 20 6.672 -13.992 -3.245 1.00 0.00 O ATOM 253 OE2 GLU A 20 6.645 -12.255 -4.591 1.00 0.00 O ATOM 0 H GLU A 20 9.460 -11.117 0.040 1.00 0.00 H new ATOM 0 HA GLU A 20 10.731 -13.547 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.566 -14.061 -2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.330 -13.926 -1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.010 -11.500 -2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.024 -11.904 -3.648 1.00 0.00 H new ATOM 260 N LEU A 21 11.504 -12.150 -2.986 1.00 0.00 N ATOM 261 CA LEU A 21 12.355 -11.277 -3.787 1.00 0.00 C ATOM 262 C LEU A 21 11.520 -10.249 -4.544 1.00 0.00 C ATOM 263 O LEU A 21 10.725 -10.600 -5.417 1.00 0.00 O ATOM 264 CB LEU A 21 13.185 -12.103 -4.772 1.00 0.00 C ATOM 265 CG LEU A 21 14.017 -11.309 -5.779 1.00 0.00 C ATOM 266 CD1 LEU A 21 15.146 -10.572 -5.075 1.00 0.00 C ATOM 267 CD2 LEU A 21 14.570 -12.229 -6.857 1.00 0.00 C ATOM 0 H LEU A 21 11.376 -13.085 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 21 13.027 -10.747 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.857 -12.744 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.511 -12.758 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 21 13.370 -10.572 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 21 15.728 -10.012 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.729 -9.883 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.792 -11.291 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.160 -11.647 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.202 -12.989 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.745 -12.711 -7.382 1.00 0.00 H new ATOM 279 N LEU A 22 11.708 -8.978 -4.207 1.00 0.00 N ATOM 280 CA LEU A 22 10.974 -7.898 -4.857 1.00 0.00 C ATOM 281 C LEU A 22 11.494 -7.659 -6.270 1.00 0.00 C ATOM 282 O LEU A 22 12.607 -7.166 -6.459 1.00 0.00 O ATOM 283 CB LEU A 22 11.086 -6.612 -4.036 1.00 0.00 C ATOM 284 CG LEU A 22 9.916 -5.635 -4.154 1.00 0.00 C ATOM 285 CD1 LEU A 22 8.630 -6.280 -3.660 1.00 0.00 C ATOM 286 CD2 LEU A 22 10.206 -4.358 -3.378 1.00 0.00 C ATOM 0 H LEU A 22 12.362 -8.670 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 22 9.926 -8.191 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.202 -6.884 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.997 -6.093 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 22 9.789 -5.377 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.808 -5.570 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.413 -7.165 -4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.746 -6.568 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.362 -3.675 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.361 -4.599 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.103 -3.885 -3.778 1.00 0.00 H new ATOM 298 N THR A 23 10.681 -8.010 -7.262 1.00 0.00 N ATOM 299 CA THR A 23 11.059 -7.833 -8.659 1.00 0.00 C ATOM 300 C THR A 23 10.210 -6.757 -9.326 1.00 0.00 C ATOM 301 O THR A 23 9.063 -7.001 -9.698 1.00 0.00 O ATOM 302 CB THR A 23 10.916 -9.147 -9.450 1.00 0.00 C ATOM 303 OG1 THR A 23 11.520 -10.223 -8.724 1.00 0.00 O ATOM 304 CG2 THR A 23 11.564 -9.026 -10.821 1.00 0.00 C ATOM 0 H THR A 23 9.757 -8.418 -7.124 1.00 0.00 H new ATOM 0 HA THR A 23 12.104 -7.524 -8.667 1.00 0.00 H new ATOM 0 HB THR A 23 9.854 -9.351 -9.585 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.424 -11.055 -9.232 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.451 -9.966 -11.361 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.082 -8.225 -11.382 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.624 -8.801 -10.704 1.00 0.00 H new ATOM 312 N GLU A 24 10.781 -5.565 -9.473 1.00 0.00 N ATOM 313 CA GLU A 24 10.075 -4.452 -10.096 1.00 0.00 C ATOM 314 C GLU A 24 8.788 -4.133 -9.341 1.00 0.00 C ATOM 315 O GLU A 24 7.680 -4.340 -9.836 1.00 0.00 O ATOM 316 CB GLU A 24 9.755 -4.775 -11.557 1.00 0.00 C ATOM 317 CG GLU A 24 10.930 -5.361 -12.322 1.00 0.00 C ATOM 318 CD GLU A 24 10.613 -5.598 -13.786 1.00 0.00 C ATOM 319 OE1 GLU A 24 10.207 -4.635 -14.469 1.00 0.00 O ATOM 320 OE2 GLU A 24 10.773 -6.747 -14.248 1.00 0.00 O ATOM 0 H GLU A 24 11.730 -5.346 -9.169 1.00 0.00 H new ATOM 0 HA GLU A 24 10.724 -3.577 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.923 -5.478 -11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.424 -3.865 -12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.783 -4.687 -12.243 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.225 -6.303 -11.861 1.00 0.00 H new ATOM 327 N PRO A 25 8.936 -3.618 -8.111 1.00 0.00 N ATOM 328 CA PRO A 25 7.797 -3.260 -7.261 1.00 0.00 C ATOM 329 C PRO A 25 7.041 -2.044 -7.786 1.00 0.00 C ATOM 330 O PRO A 25 7.356 -1.519 -8.855 1.00 0.00 O ATOM 331 CB PRO A 25 8.448 -2.944 -5.912 1.00 0.00 C ATOM 332 CG PRO A 25 9.841 -2.537 -6.249 1.00 0.00 C ATOM 333 CD PRO A 25 10.227 -3.345 -7.457 1.00 0.00 C ATOM 0 HA PRO A 25 7.055 -4.057 -7.216 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.917 -2.146 -5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.438 -3.813 -5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.895 -1.469 -6.460 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.517 -2.732 -5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.900 -2.792 -8.112 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.739 -4.266 -7.178 1.00 0.00 H new ATOM 341 N LEU A 26 6.044 -1.601 -7.028 1.00 0.00 N ATOM 342 CA LEU A 26 5.243 -0.445 -7.417 1.00 0.00 C ATOM 343 C LEU A 26 5.527 0.746 -6.507 1.00 0.00 C ATOM 344 O LEU A 26 6.325 0.650 -5.574 1.00 0.00 O ATOM 345 CB LEU A 26 3.754 -0.793 -7.371 1.00 0.00 C ATOM 346 CG LEU A 26 3.202 -1.542 -8.584 1.00 0.00 C ATOM 347 CD1 LEU A 26 3.403 -0.726 -9.852 1.00 0.00 C ATOM 348 CD2 LEU A 26 3.864 -2.906 -8.715 1.00 0.00 C ATOM 0 H LEU A 26 5.771 -2.024 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 26 5.515 -0.172 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.570 -1.396 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.189 0.131 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 26 2.132 -1.692 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.004 -1.275 -10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.882 0.227 -9.758 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.467 -0.544 -10.003 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.459 -3.425 -9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.940 -2.778 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.668 -3.493 -7.818 1.00 0.00 H new ATOM 360 N SER A 27 4.868 1.866 -6.784 1.00 0.00 N ATOM 361 CA SER A 27 5.051 3.076 -5.991 1.00 0.00 C ATOM 362 C SER A 27 3.710 3.604 -5.488 1.00 0.00 C ATOM 363 O SER A 27 2.925 4.166 -6.253 1.00 0.00 O ATOM 364 CB SER A 27 5.757 4.152 -6.818 1.00 0.00 C ATOM 365 OG SER A 27 5.177 4.267 -8.106 1.00 0.00 O ATOM 0 H SER A 27 4.203 1.961 -7.551 1.00 0.00 H new ATOM 0 HA SER A 27 5.670 2.826 -5.130 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.697 5.110 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.815 3.907 -6.913 1.00 0.00 H new ATOM 0 HG SER A 27 4.202 4.199 -8.033 1.00 0.00 H new ATOM 371 N LEU A 28 3.455 3.419 -4.198 1.00 0.00 N ATOM 372 CA LEU A 28 2.210 3.876 -3.591 1.00 0.00 C ATOM 373 C LEU A 28 2.279 5.363 -3.260 1.00 0.00 C ATOM 374 O LEU A 28 3.255 6.038 -3.589 1.00 0.00 O ATOM 375 CB LEU A 28 1.913 3.072 -2.323 1.00 0.00 C ATOM 376 CG LEU A 28 2.257 1.584 -2.376 1.00 0.00 C ATOM 377 CD1 LEU A 28 2.015 0.932 -1.023 1.00 0.00 C ATOM 378 CD2 LEU A 28 1.448 0.886 -3.459 1.00 0.00 C ATOM 0 H LEU A 28 4.094 2.956 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 28 1.405 3.720 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.461 3.522 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.852 3.171 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 28 3.314 1.484 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.265 -0.127 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.640 1.413 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.966 1.043 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.707 -0.173 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.385 0.995 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.672 1.335 -4.427 1.00 0.00 H new ATOM 390 N ASP A 29 1.239 5.867 -2.604 1.00 0.00 N ATOM 391 CA ASP A 29 1.183 7.274 -2.225 1.00 0.00 C ATOM 392 C ASP A 29 1.784 7.487 -0.839 1.00 0.00 C ATOM 393 O ASP A 29 2.421 8.508 -0.577 1.00 0.00 O ATOM 394 CB ASP A 29 -0.262 7.774 -2.251 1.00 0.00 C ATOM 395 CG ASP A 29 -0.803 7.908 -3.661 1.00 0.00 C ATOM 396 OD1 ASP A 29 -0.841 6.889 -4.381 1.00 0.00 O ATOM 397 OD2 ASP A 29 -1.188 9.033 -4.044 1.00 0.00 O ATOM 0 H ASP A 29 0.424 5.322 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 29 1.769 7.843 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.892 7.086 -1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.318 8.740 -1.750 1.00 0.00 H new ATOM 402 N CYS A 30 1.575 6.518 0.046 1.00 0.00 N ATOM 403 CA CYS A 30 2.094 6.600 1.406 1.00 0.00 C ATOM 404 C CYS A 30 3.620 6.591 1.408 1.00 0.00 C ATOM 405 O CYS A 30 4.254 7.207 2.263 1.00 0.00 O ATOM 406 CB CYS A 30 1.565 5.436 2.247 1.00 0.00 C ATOM 407 SG CYS A 30 1.933 3.791 1.553 1.00 0.00 S ATOM 0 H CYS A 30 1.050 5.667 -0.154 1.00 0.00 H new ATOM 0 HA CYS A 30 1.753 7.539 1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.993 5.501 3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.485 5.540 2.354 1.00 0.00 H new ATOM 412 N GLY A 31 4.203 5.888 0.442 1.00 0.00 N ATOM 413 CA GLY A 31 5.649 5.812 0.350 1.00 0.00 C ATOM 414 C GLY A 31 6.179 4.429 0.675 1.00 0.00 C ATOM 415 O GLY A 31 6.861 4.239 1.683 1.00 0.00 O ATOM 0 H GLY A 31 3.700 5.370 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.961 6.090 -0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.092 6.537 1.033 1.00 0.00 H new ATOM 419 N HIS A 32 5.865 3.460 -0.179 1.00 0.00 N ATOM 420 CA HIS A 32 6.314 2.087 0.024 1.00 0.00 C ATOM 421 C HIS A 32 6.489 1.370 -1.311 1.00 0.00 C ATOM 422 O HIS A 32 6.132 1.900 -2.363 1.00 0.00 O ATOM 423 CB HIS A 32 5.317 1.326 0.898 1.00 0.00 C ATOM 424 CG HIS A 32 5.505 1.562 2.365 1.00 0.00 C ATOM 425 ND1 HIS A 32 4.873 2.577 3.052 1.00 0.00 N ATOM 426 CD2 HIS A 32 6.258 0.904 3.278 1.00 0.00 C ATOM 427 CE1 HIS A 32 5.231 2.535 4.323 1.00 0.00 C ATOM 428 NE2 HIS A 32 6.071 1.529 4.486 1.00 0.00 N ATOM 0 H HIS A 32 5.302 3.600 -1.018 1.00 0.00 H new ATOM 0 HA HIS A 32 7.279 2.117 0.529 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.305 1.617 0.618 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.409 0.259 0.695 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.230 3.254 2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.888 0.047 3.091 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.894 3.209 5.097 1.00 0.00 H new ATOM 436 N SER A 33 7.041 0.162 -1.261 1.00 0.00 N ATOM 437 CA SER A 33 7.268 -0.626 -2.467 1.00 0.00 C ATOM 438 C SER A 33 6.901 -2.089 -2.237 1.00 0.00 C ATOM 439 O SER A 33 7.511 -2.772 -1.413 1.00 0.00 O ATOM 440 CB SER A 33 8.730 -0.518 -2.905 1.00 0.00 C ATOM 441 OG SER A 33 9.275 0.743 -2.555 1.00 0.00 O ATOM 0 H SER A 33 7.339 -0.293 -0.398 1.00 0.00 H new ATOM 0 HA SER A 33 6.630 -0.229 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.313 -1.312 -2.438 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.802 -0.662 -3.983 1.00 0.00 H new ATOM 0 HG SER A 33 10.210 0.787 -2.844 1.00 0.00 H new ATOM 447 N LEU A 34 5.900 -2.563 -2.970 1.00 0.00 N ATOM 448 CA LEU A 34 5.450 -3.945 -2.848 1.00 0.00 C ATOM 449 C LEU A 34 5.241 -4.574 -4.222 1.00 0.00 C ATOM 450 O LEU A 34 5.579 -3.980 -5.246 1.00 0.00 O ATOM 451 CB LEU A 34 4.152 -4.010 -2.041 1.00 0.00 C ATOM 452 CG LEU A 34 4.054 -3.057 -0.849 1.00 0.00 C ATOM 453 CD1 LEU A 34 2.633 -3.023 -0.309 1.00 0.00 C ATOM 454 CD2 LEU A 34 5.032 -3.467 0.243 1.00 0.00 C ATOM 0 H LEU A 34 5.384 -2.011 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 34 6.224 -4.508 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.319 -3.805 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.025 -5.029 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 34 4.317 -2.054 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.582 -2.340 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.955 -2.682 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.342 -4.023 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.949 -2.778 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.800 -4.478 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.048 -3.439 -0.150 1.00 0.00 H new ATOM 466 N CYS A 35 4.679 -5.778 -4.236 1.00 0.00 N ATOM 467 CA CYS A 35 4.422 -6.487 -5.484 1.00 0.00 C ATOM 468 C CYS A 35 3.134 -5.991 -6.136 1.00 0.00 C ATOM 469 O CYS A 35 2.264 -5.432 -5.469 1.00 0.00 O ATOM 470 CB CYS A 35 4.331 -7.993 -5.229 1.00 0.00 C ATOM 471 SG CYS A 35 5.692 -8.660 -4.219 1.00 0.00 S ATOM 0 H CYS A 35 4.393 -6.283 -3.397 1.00 0.00 H new ATOM 0 HA CYS A 35 5.251 -6.290 -6.163 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.385 -8.210 -4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.315 -8.513 -6.187 1.00 0.00 H new ATOM 476 N ARG A 36 3.021 -6.201 -7.443 1.00 0.00 N ATOM 477 CA ARG A 36 1.841 -5.775 -8.186 1.00 0.00 C ATOM 478 C ARG A 36 0.617 -6.588 -7.775 1.00 0.00 C ATOM 479 O ARG A 36 -0.516 -6.123 -7.890 1.00 0.00 O ATOM 480 CB ARG A 36 2.080 -5.917 -9.690 1.00 0.00 C ATOM 481 CG ARG A 36 0.987 -5.293 -10.543 1.00 0.00 C ATOM 482 CD ARG A 36 1.295 -3.840 -10.866 1.00 0.00 C ATOM 483 NE ARG A 36 0.504 -3.351 -11.993 1.00 0.00 N ATOM 484 CZ ARG A 36 -0.802 -3.121 -11.929 1.00 0.00 C ATOM 485 NH1 ARG A 36 -1.462 -3.334 -10.799 1.00 0.00 N ATOM 486 NH2 ARG A 36 -1.452 -2.676 -12.997 1.00 0.00 N ATOM 0 H ARG A 36 3.732 -6.664 -8.010 1.00 0.00 H new ATOM 0 HA ARG A 36 1.654 -4.727 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.034 -5.455 -9.943 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.163 -6.975 -9.938 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.879 -5.858 -11.469 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.034 -5.356 -10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.097 -3.224 -9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.356 -3.736 -11.095 1.00 0.00 H new ATOM 0 HE ARG A 36 0.981 -3.177 -12.877 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.966 -3.676 -9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.465 -3.156 -10.753 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.948 -2.510 -13.868 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.455 -2.500 -12.947 1.00 0.00 H new ATOM 500 N ALA A 37 0.855 -7.805 -7.297 1.00 0.00 N ATOM 501 CA ALA A 37 -0.227 -8.682 -6.868 1.00 0.00 C ATOM 502 C ALA A 37 -0.647 -8.375 -5.434 1.00 0.00 C ATOM 503 O ALA A 37 -1.836 -8.254 -5.137 1.00 0.00 O ATOM 504 CB ALA A 37 0.192 -10.139 -6.996 1.00 0.00 C ATOM 0 H ALA A 37 1.788 -8.206 -7.197 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.085 -8.503 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.626 -10.783 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.436 -10.357 -8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.067 -10.322 -6.372 1.00 0.00 H new ATOM 510 N CYS A 38 0.335 -8.250 -4.549 1.00 0.00 N ATOM 511 CA CYS A 38 0.068 -7.958 -3.146 1.00 0.00 C ATOM 512 C CYS A 38 -0.762 -6.685 -3.003 1.00 0.00 C ATOM 513 O CYS A 38 -1.484 -6.510 -2.022 1.00 0.00 O ATOM 514 CB CYS A 38 1.382 -7.811 -2.374 1.00 0.00 C ATOM 515 SG CYS A 38 2.397 -9.323 -2.342 1.00 0.00 S ATOM 0 H CYS A 38 1.324 -8.346 -4.779 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.500 -8.790 -2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.964 -7.004 -2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.158 -7.515 -1.349 1.00 0.00 H new ATOM 520 N ILE A 39 -0.654 -5.802 -3.990 1.00 0.00 N ATOM 521 CA ILE A 39 -1.396 -4.547 -3.975 1.00 0.00 C ATOM 522 C ILE A 39 -2.786 -4.723 -4.576 1.00 0.00 C ATOM 523 O ILE A 39 -3.797 -4.500 -3.908 1.00 0.00 O ATOM 524 CB ILE A 39 -0.651 -3.444 -4.750 1.00 0.00 C ATOM 525 CG1 ILE A 39 0.737 -3.215 -4.147 1.00 0.00 C ATOM 526 CG2 ILE A 39 -1.457 -2.154 -4.741 1.00 0.00 C ATOM 527 CD1 ILE A 39 1.694 -2.512 -5.083 1.00 0.00 C ATOM 0 H ILE A 39 -0.061 -5.932 -4.809 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.489 -4.248 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.529 -3.766 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.635 -2.627 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.163 -4.177 -3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.918 -1.384 -5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.425 -2.326 -5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.607 -1.826 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.657 -2.383 -4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.826 -3.110 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.290 -1.536 -5.350 1.00 0.00 H new ATOM 539 N THR A 40 -2.832 -5.128 -5.841 1.00 0.00 N ATOM 540 CA THR A 40 -4.098 -5.336 -6.532 1.00 0.00 C ATOM 541 C THR A 40 -4.977 -6.330 -5.783 1.00 0.00 C ATOM 542 O THR A 40 -4.544 -6.944 -4.807 1.00 0.00 O ATOM 543 CB THR A 40 -3.877 -5.845 -7.969 1.00 0.00 C ATOM 544 OG1 THR A 40 -5.115 -5.834 -8.689 1.00 0.00 O ATOM 545 CG2 THR A 40 -3.302 -7.253 -7.962 1.00 0.00 C ATOM 0 H THR A 40 -2.006 -5.319 -6.408 1.00 0.00 H new ATOM 0 HA THR A 40 -4.599 -4.369 -6.570 1.00 0.00 H new ATOM 0 HB THR A 40 -3.166 -5.181 -8.460 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.965 -6.157 -9.602 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.155 -7.591 -8.988 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.346 -7.253 -7.439 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.993 -7.926 -7.454 1.00 0.00 H new ATOM 553 N VAL A 41 -6.214 -6.485 -6.244 1.00 0.00 N ATOM 554 CA VAL A 41 -7.154 -7.407 -5.618 1.00 0.00 C ATOM 555 C VAL A 41 -7.494 -8.564 -6.551 1.00 0.00 C ATOM 556 O VAL A 41 -7.692 -8.369 -7.751 1.00 0.00 O ATOM 557 CB VAL A 41 -8.455 -6.691 -5.210 1.00 0.00 C ATOM 558 CG1 VAL A 41 -9.188 -6.175 -6.439 1.00 0.00 C ATOM 559 CG2 VAL A 41 -9.345 -7.623 -4.401 1.00 0.00 C ATOM 0 H VAL A 41 -6.589 -5.984 -7.049 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.667 -7.797 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.198 -5.837 -4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.105 -5.672 -6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.550 -5.472 -6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.435 -7.011 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.260 -7.101 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.596 -8.498 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.818 -7.939 -3.501 1.00 0.00 H new ATOM 569 N SER A 42 -7.560 -9.768 -5.993 1.00 0.00 N ATOM 570 CA SER A 42 -7.874 -10.958 -6.776 1.00 0.00 C ATOM 571 C SER A 42 -9.365 -11.023 -7.091 1.00 0.00 C ATOM 572 O SER A 42 -10.178 -10.376 -6.433 1.00 0.00 O ATOM 573 CB SER A 42 -7.444 -12.218 -6.022 1.00 0.00 C ATOM 574 OG SER A 42 -7.696 -12.092 -4.633 1.00 0.00 O ATOM 0 H SER A 42 -7.400 -9.946 -5.001 1.00 0.00 H new ATOM 0 HA SER A 42 -7.325 -10.901 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.980 -13.082 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.382 -12.400 -6.187 1.00 0.00 H new ATOM 0 HG SER A 42 -7.414 -12.911 -4.174 1.00 0.00 H new ATOM 580 N ASN A 43 -9.715 -11.811 -8.103 1.00 0.00 N ATOM 581 CA ASN A 43 -11.108 -11.961 -8.508 1.00 0.00 C ATOM 582 C ASN A 43 -11.505 -13.434 -8.551 1.00 0.00 C ATOM 583 O ASN A 43 -10.815 -14.257 -9.152 1.00 0.00 O ATOM 584 CB ASN A 43 -11.336 -11.319 -9.878 1.00 0.00 C ATOM 585 CG ASN A 43 -11.417 -9.807 -9.801 1.00 0.00 C ATOM 586 OD1 ASN A 43 -11.850 -9.248 -8.793 1.00 0.00 O ATOM 587 ND2 ASN A 43 -11.001 -9.137 -10.869 1.00 0.00 N ATOM 0 H ASN A 43 -9.054 -12.355 -8.657 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.731 -11.455 -7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.525 -11.603 -10.549 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.258 -11.708 -10.310 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.033 -8.118 -10.876 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.650 -9.642 -11.683 1.00 0.00 H new ATOM 594 N LYS A 44 -12.623 -13.759 -7.911 1.00 0.00 N ATOM 595 CA LYS A 44 -13.115 -15.131 -7.877 1.00 0.00 C ATOM 596 C LYS A 44 -14.594 -15.188 -8.248 1.00 0.00 C ATOM 597 O LYS A 44 -15.236 -14.155 -8.434 1.00 0.00 O ATOM 598 CB LYS A 44 -12.903 -15.737 -6.488 1.00 0.00 C ATOM 599 CG LYS A 44 -11.443 -15.982 -6.148 1.00 0.00 C ATOM 600 CD LYS A 44 -11.279 -16.484 -4.724 1.00 0.00 C ATOM 601 CE LYS A 44 -9.827 -16.812 -4.412 1.00 0.00 C ATOM 602 NZ LYS A 44 -9.618 -17.083 -2.963 1.00 0.00 N ATOM 0 H LYS A 44 -13.206 -13.090 -7.408 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.552 -15.710 -8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.335 -15.071 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.445 -16.681 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.024 -16.711 -6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.879 -15.058 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.640 -15.728 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.893 -17.372 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.519 -17.682 -4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.193 -15.981 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.616 -17.302 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.888 -16.244 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.204 -17.892 -2.673 1.00 0.00 H new ATOM 616 N GLU A 45 -15.127 -16.401 -8.352 1.00 0.00 N ATOM 617 CA GLU A 45 -16.531 -16.591 -8.699 1.00 0.00 C ATOM 618 C GLU A 45 -17.441 -15.962 -7.648 1.00 0.00 C ATOM 619 O GLU A 45 -18.527 -15.475 -7.963 1.00 0.00 O ATOM 620 CB GLU A 45 -16.847 -18.081 -8.838 1.00 0.00 C ATOM 621 CG GLU A 45 -16.501 -18.652 -10.203 1.00 0.00 C ATOM 622 CD GLU A 45 -17.393 -18.114 -11.305 1.00 0.00 C ATOM 623 OE1 GLU A 45 -18.495 -18.667 -11.498 1.00 0.00 O ATOM 624 OE2 GLU A 45 -16.988 -17.140 -11.973 1.00 0.00 O ATOM 0 H GLU A 45 -14.609 -17.266 -8.201 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.713 -16.098 -9.654 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.300 -18.633 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.908 -18.238 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.462 -18.420 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.586 -19.738 -10.170 1.00 0.00 H new ATOM 631 N ALA A 46 -16.991 -15.977 -6.398 1.00 0.00 N ATOM 632 CA ALA A 46 -17.763 -15.408 -5.301 1.00 0.00 C ATOM 633 C ALA A 46 -17.608 -13.892 -5.249 1.00 0.00 C ATOM 634 O ALA A 46 -16.534 -13.378 -4.938 1.00 0.00 O ATOM 635 CB ALA A 46 -17.338 -16.029 -3.978 1.00 0.00 C ATOM 0 H ALA A 46 -16.095 -16.377 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 46 -18.815 -15.634 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -17.923 -15.594 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.507 -17.105 -4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -16.280 -15.833 -3.807 1.00 0.00 H new ATOM 641 N VAL A 47 -18.688 -13.180 -5.557 1.00 0.00 N ATOM 642 CA VAL A 47 -18.672 -11.723 -5.545 1.00 0.00 C ATOM 643 C VAL A 47 -18.254 -11.189 -4.180 1.00 0.00 C ATOM 644 O VAL A 47 -18.622 -11.744 -3.144 1.00 0.00 O ATOM 645 CB VAL A 47 -20.052 -11.143 -5.910 1.00 0.00 C ATOM 646 CG1 VAL A 47 -21.098 -11.574 -4.894 1.00 0.00 C ATOM 647 CG2 VAL A 47 -19.983 -9.627 -6.008 1.00 0.00 C ATOM 0 H VAL A 47 -19.585 -13.590 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 47 -17.944 -11.409 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 47 -20.345 -11.534 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -22.066 -11.155 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -21.165 -12.662 -4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -20.814 -11.215 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -20.966 -9.234 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -19.668 -9.214 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -19.265 -9.344 -6.778 1.00 0.00 H new ATOM 657 N THR A 48 -17.482 -10.106 -4.185 1.00 0.00 N ATOM 658 CA THR A 48 -17.013 -9.496 -2.947 1.00 0.00 C ATOM 659 C THR A 48 -17.982 -8.425 -2.460 1.00 0.00 C ATOM 660 O THR A 48 -18.781 -7.898 -3.234 1.00 0.00 O ATOM 661 CB THR A 48 -15.618 -8.867 -3.124 1.00 0.00 C ATOM 662 OG1 THR A 48 -15.471 -8.370 -4.459 1.00 0.00 O ATOM 663 CG2 THR A 48 -14.525 -9.885 -2.833 1.00 0.00 C ATOM 0 H THR A 48 -17.169 -9.634 -5.033 1.00 0.00 H new ATOM 0 HA THR A 48 -16.953 -10.293 -2.205 1.00 0.00 H new ATOM 0 HB THR A 48 -15.522 -8.043 -2.417 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.582 -7.970 -4.563 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.549 -9.418 -2.964 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.622 -10.240 -1.807 1.00 0.00 H new ATOM 0 HG23 THR A 48 -14.620 -10.727 -3.519 1.00 0.00 H new ATOM 671 N SER A 49 -17.906 -8.107 -1.172 1.00 0.00 N ATOM 672 CA SER A 49 -18.780 -7.100 -0.580 1.00 0.00 C ATOM 673 C SER A 49 -18.685 -5.783 -1.344 1.00 0.00 C ATOM 674 O SER A 49 -17.822 -5.612 -2.204 1.00 0.00 O ATOM 675 CB SER A 49 -18.416 -6.878 0.889 1.00 0.00 C ATOM 676 OG SER A 49 -17.220 -6.128 1.011 1.00 0.00 O ATOM 0 H SER A 49 -17.248 -8.532 -0.518 1.00 0.00 H new ATOM 0 HA SER A 49 -19.806 -7.463 -0.641 1.00 0.00 H new ATOM 0 HB2 SER A 49 -19.229 -6.356 1.393 1.00 0.00 H new ATOM 0 HB3 SER A 49 -18.298 -7.840 1.387 1.00 0.00 H new ATOM 0 HG SER A 49 -17.010 -5.999 1.960 1.00 0.00 H new ATOM 682 N MET A 50 -19.580 -4.854 -1.023 1.00 0.00 N ATOM 683 CA MET A 50 -19.598 -3.551 -1.677 1.00 0.00 C ATOM 684 C MET A 50 -18.278 -2.818 -1.463 1.00 0.00 C ATOM 685 O MET A 50 -17.877 -1.990 -2.280 1.00 0.00 O ATOM 686 CB MET A 50 -20.757 -2.706 -1.146 1.00 0.00 C ATOM 687 CG MET A 50 -22.127 -3.249 -1.519 1.00 0.00 C ATOM 688 SD MET A 50 -23.428 -2.671 -0.413 1.00 0.00 S ATOM 689 CE MET A 50 -24.106 -1.315 -1.368 1.00 0.00 C ATOM 0 H MET A 50 -20.302 -4.980 -0.314 1.00 0.00 H new ATOM 0 HA MET A 50 -19.735 -3.710 -2.747 1.00 0.00 H new ATOM 0 HB2 MET A 50 -20.683 -2.644 -0.060 1.00 0.00 H new ATOM 0 HB3 MET A 50 -20.661 -1.690 -1.530 1.00 0.00 H new ATOM 0 HG2 MET A 50 -22.365 -2.952 -2.540 1.00 0.00 H new ATOM 0 HG3 MET A 50 -22.099 -4.338 -1.502 1.00 0.00 H new ATOM 0 HE1 MET A 50 -24.924 -0.854 -0.815 1.00 0.00 H new ATOM 0 HE2 MET A 50 -23.328 -0.574 -1.551 1.00 0.00 H new ATOM 0 HE3 MET A 50 -24.479 -1.692 -2.320 1.00 0.00 H new ATOM 699 N GLY A 51 -17.606 -3.127 -0.358 1.00 0.00 N ATOM 700 CA GLY A 51 -16.339 -2.488 -0.057 1.00 0.00 C ATOM 701 C GLY A 51 -15.179 -3.119 -0.801 1.00 0.00 C ATOM 702 O GLY A 51 -14.855 -4.286 -0.585 1.00 0.00 O ATOM 0 H GLY A 51 -17.917 -3.809 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.399 -1.430 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.153 -2.545 1.015 1.00 0.00 H new ATOM 706 N GLY A 52 -14.553 -2.346 -1.683 1.00 0.00 N ATOM 707 CA GLY A 52 -13.431 -2.855 -2.450 1.00 0.00 C ATOM 708 C GLY A 52 -12.299 -1.852 -2.557 1.00 0.00 C ATOM 709 O GLY A 52 -12.116 -1.219 -3.597 1.00 0.00 O ATOM 0 H GLY A 52 -14.803 -1.377 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.061 -3.768 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.771 -3.123 -3.450 1.00 0.00 H new ATOM 713 N LYS A 53 -11.538 -1.704 -1.478 1.00 0.00 N ATOM 714 CA LYS A 53 -10.418 -0.771 -1.453 1.00 0.00 C ATOM 715 C LYS A 53 -9.208 -1.391 -0.762 1.00 0.00 C ATOM 716 O LYS A 53 -9.351 -2.182 0.170 1.00 0.00 O ATOM 717 CB LYS A 53 -10.820 0.521 -0.738 1.00 0.00 C ATOM 718 CG LYS A 53 -11.623 1.473 -1.608 1.00 0.00 C ATOM 719 CD LYS A 53 -10.725 2.273 -2.537 1.00 0.00 C ATOM 720 CE LYS A 53 -11.390 3.568 -2.976 1.00 0.00 C ATOM 721 NZ LYS A 53 -10.725 4.155 -4.172 1.00 0.00 N ATOM 0 H LYS A 53 -11.677 -2.219 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.147 -0.540 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.405 0.270 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.920 1.030 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.345 0.907 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.191 2.154 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.786 2.498 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.480 1.673 -3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.440 3.379 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.363 4.286 -2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.208 5.036 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.729 4.359 -3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.773 3.480 -4.962 1.00 0.00 H new ATOM 735 N SER A 54 -8.016 -1.026 -1.225 1.00 0.00 N ATOM 736 CA SER A 54 -6.781 -1.549 -0.653 1.00 0.00 C ATOM 737 C SER A 54 -6.022 -0.455 0.092 1.00 0.00 C ATOM 738 O SER A 54 -6.347 0.727 -0.019 1.00 0.00 O ATOM 739 CB SER A 54 -5.897 -2.143 -1.751 1.00 0.00 C ATOM 740 OG SER A 54 -6.391 -3.399 -2.181 1.00 0.00 O ATOM 0 H SER A 54 -7.880 -0.370 -1.994 1.00 0.00 H new ATOM 0 HA SER A 54 -7.042 -2.334 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.853 -1.457 -2.597 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.879 -2.257 -1.380 1.00 0.00 H new ATOM 0 HG SER A 54 -5.709 -3.851 -2.721 1.00 0.00 H new ATOM 746 N SER A 55 -5.009 -0.859 0.851 1.00 0.00 N ATOM 747 CA SER A 55 -4.204 0.085 1.618 1.00 0.00 C ATOM 748 C SER A 55 -2.911 -0.567 2.098 1.00 0.00 C ATOM 749 O SER A 55 -2.894 -1.743 2.464 1.00 0.00 O ATOM 750 CB SER A 55 -4.999 0.609 2.816 1.00 0.00 C ATOM 751 OG SER A 55 -5.974 -0.331 3.233 1.00 0.00 O ATOM 0 H SER A 55 -4.726 -1.834 0.952 1.00 0.00 H new ATOM 0 HA SER A 55 -3.949 0.920 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.320 0.823 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.485 1.548 2.551 1.00 0.00 H new ATOM 0 HG SER A 55 -6.467 0.027 4.001 1.00 0.00 H new ATOM 757 N CYS A 56 -1.830 0.205 2.093 1.00 0.00 N ATOM 758 CA CYS A 56 -0.530 -0.296 2.526 1.00 0.00 C ATOM 759 C CYS A 56 -0.635 -0.971 3.890 1.00 0.00 C ATOM 760 O CYS A 56 -0.824 -0.321 4.919 1.00 0.00 O ATOM 761 CB CYS A 56 0.485 0.847 2.587 1.00 0.00 C ATOM 762 SG CYS A 56 2.216 0.297 2.727 1.00 0.00 S ATOM 0 H CYS A 56 -1.828 1.180 1.794 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.192 -1.035 1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.381 1.459 1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.247 1.485 3.439 1.00 0.00 H new ATOM 767 N PRO A 57 -0.509 -2.306 3.901 1.00 0.00 N ATOM 768 CA PRO A 57 -0.585 -3.099 5.132 1.00 0.00 C ATOM 769 C PRO A 57 0.622 -2.880 6.038 1.00 0.00 C ATOM 770 O PRO A 57 0.616 -3.276 7.204 1.00 0.00 O ATOM 771 CB PRO A 57 -0.617 -4.542 4.623 1.00 0.00 C ATOM 772 CG PRO A 57 0.054 -4.490 3.294 1.00 0.00 C ATOM 773 CD PRO A 57 -0.283 -3.145 2.712 1.00 0.00 C ATOM 0 HA PRO A 57 -1.449 -2.828 5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.095 -5.214 5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.640 -4.908 4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.132 -4.612 3.396 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.298 -5.294 2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.529 -2.759 2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.169 -3.192 2.079 1.00 0.00 H new ATOM 781 N VAL A 58 1.656 -2.246 5.495 1.00 0.00 N ATOM 782 CA VAL A 58 2.870 -1.973 6.255 1.00 0.00 C ATOM 783 C VAL A 58 2.649 -0.846 7.258 1.00 0.00 C ATOM 784 O VAL A 58 2.606 -1.075 8.467 1.00 0.00 O ATOM 785 CB VAL A 58 4.040 -1.597 5.327 1.00 0.00 C ATOM 786 CG1 VAL A 58 5.312 -1.378 6.133 1.00 0.00 C ATOM 787 CG2 VAL A 58 4.248 -2.670 4.270 1.00 0.00 C ATOM 0 H VAL A 58 1.677 -1.912 4.532 1.00 0.00 H new ATOM 0 HA VAL A 58 3.120 -2.888 6.791 1.00 0.00 H new ATOM 0 HB VAL A 58 3.793 -0.664 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.128 -1.113 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.155 -0.571 6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.566 -2.293 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.079 -2.387 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.473 -3.620 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.342 -2.773 3.673 1.00 0.00 H new ATOM 797 N CYS A 59 2.507 0.373 6.748 1.00 0.00 N ATOM 798 CA CYS A 59 2.290 1.537 7.598 1.00 0.00 C ATOM 799 C CYS A 59 0.809 1.701 7.928 1.00 0.00 C ATOM 800 O CYS A 59 0.451 2.169 9.008 1.00 0.00 O ATOM 801 CB CYS A 59 2.814 2.801 6.912 1.00 0.00 C ATOM 802 SG CYS A 59 2.033 3.151 5.304 1.00 0.00 S ATOM 0 H CYS A 59 2.538 0.580 5.750 1.00 0.00 H new ATOM 0 HA CYS A 59 2.837 1.383 8.528 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.656 3.653 7.574 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.890 2.704 6.768 1.00 0.00 H new ATOM 807 N GLY A 60 -0.047 1.311 6.989 1.00 0.00 N ATOM 808 CA GLY A 60 -1.479 1.422 7.199 1.00 0.00 C ATOM 809 C GLY A 60 -2.037 2.741 6.702 1.00 0.00 C ATOM 810 O GLY A 60 -2.592 3.520 7.478 1.00 0.00 O ATOM 0 H GLY A 60 0.225 0.920 6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.983 0.602 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.697 1.316 8.262 1.00 0.00 H new ATOM 814 N ILE A 61 -1.890 2.993 5.406 1.00 0.00 N ATOM 815 CA ILE A 61 -2.383 4.227 4.807 1.00 0.00 C ATOM 816 C ILE A 61 -3.013 3.964 3.444 1.00 0.00 C ATOM 817 O ILE A 61 -2.379 3.394 2.555 1.00 0.00 O ATOM 818 CB ILE A 61 -1.256 5.265 4.648 1.00 0.00 C ATOM 819 CG1 ILE A 61 -0.579 5.527 5.995 1.00 0.00 C ATOM 820 CG2 ILE A 61 -1.806 6.559 4.065 1.00 0.00 C ATOM 821 CD1 ILE A 61 0.653 6.398 5.893 1.00 0.00 C ATOM 0 H ILE A 61 -1.433 2.359 4.750 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.140 4.625 5.483 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.510 4.867 3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.295 6.002 6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.304 4.573 6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.998 7.283 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.246 6.360 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.569 6.963 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.080 6.541 6.885 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.387 5.915 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.381 7.366 5.472 1.00 0.00 H new ATOM 833 N SER A 62 -4.264 4.383 3.285 1.00 0.00 N ATOM 834 CA SER A 62 -4.981 4.191 2.030 1.00 0.00 C ATOM 835 C SER A 62 -4.501 5.181 0.973 1.00 0.00 C ATOM 836 O SER A 62 -3.957 6.237 1.296 1.00 0.00 O ATOM 837 CB SER A 62 -6.487 4.352 2.249 1.00 0.00 C ATOM 838 OG SER A 62 -6.863 5.717 2.222 1.00 0.00 O ATOM 0 H SER A 62 -4.802 4.858 4.010 1.00 0.00 H new ATOM 0 HA SER A 62 -4.778 3.181 1.675 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.030 3.807 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.767 3.913 3.207 1.00 0.00 H new ATOM 0 HG SER A 62 -7.830 5.793 2.363 1.00 0.00 H new ATOM 844 N TYR A 63 -4.707 4.831 -0.292 1.00 0.00 N ATOM 845 CA TYR A 63 -4.293 5.686 -1.398 1.00 0.00 C ATOM 846 C TYR A 63 -5.243 5.541 -2.583 1.00 0.00 C ATOM 847 O TYR A 63 -6.161 4.722 -2.561 1.00 0.00 O ATOM 848 CB TYR A 63 -2.866 5.344 -1.829 1.00 0.00 C ATOM 849 CG TYR A 63 -2.633 3.863 -2.031 1.00 0.00 C ATOM 850 CD1 TYR A 63 -2.971 3.243 -3.228 1.00 0.00 C ATOM 851 CD2 TYR A 63 -2.074 3.085 -1.025 1.00 0.00 C ATOM 852 CE1 TYR A 63 -2.761 1.891 -3.416 1.00 0.00 C ATOM 853 CE2 TYR A 63 -1.858 1.732 -1.205 1.00 0.00 C ATOM 854 CZ TYR A 63 -2.204 1.140 -2.402 1.00 0.00 C ATOM 855 OH TYR A 63 -1.992 -0.207 -2.586 1.00 0.00 O ATOM 0 H TYR A 63 -5.158 3.962 -0.577 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.323 6.720 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.640 5.869 -2.757 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.170 5.714 -1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.405 3.828 -4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.804 3.545 -0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.031 1.424 -4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.421 1.142 -0.413 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.592 -0.589 -1.777 1.00 0.00 H new ATOM 865 N SER A 64 -5.014 6.344 -3.618 1.00 0.00 N ATOM 866 CA SER A 64 -5.850 6.308 -4.812 1.00 0.00 C ATOM 867 C SER A 64 -5.149 5.564 -5.945 1.00 0.00 C ATOM 868 O SER A 64 -3.944 5.712 -6.147 1.00 0.00 O ATOM 869 CB SER A 64 -6.198 7.729 -5.259 1.00 0.00 C ATOM 870 OG SER A 64 -7.329 7.733 -6.114 1.00 0.00 O ATOM 0 H SER A 64 -4.257 7.027 -3.653 1.00 0.00 H new ATOM 0 HA SER A 64 -6.769 5.776 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.397 8.350 -4.385 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.346 8.170 -5.776 1.00 0.00 H new ATOM 0 HG SER A 64 -7.532 8.653 -6.384 1.00 0.00 H new ATOM 876 N PHE A 65 -5.913 4.764 -6.681 1.00 0.00 N ATOM 877 CA PHE A 65 -5.366 3.995 -7.793 1.00 0.00 C ATOM 878 C PHE A 65 -5.348 4.827 -9.072 1.00 0.00 C ATOM 879 O PHE A 65 -6.251 4.727 -9.902 1.00 0.00 O ATOM 880 CB PHE A 65 -6.184 2.721 -8.011 1.00 0.00 C ATOM 881 CG PHE A 65 -5.808 1.601 -7.083 1.00 0.00 C ATOM 882 CD1 PHE A 65 -6.339 1.535 -5.805 1.00 0.00 C ATOM 883 CD2 PHE A 65 -4.924 0.615 -7.489 1.00 0.00 C ATOM 884 CE1 PHE A 65 -5.996 0.505 -4.949 1.00 0.00 C ATOM 885 CE2 PHE A 65 -4.577 -0.417 -6.637 1.00 0.00 C ATOM 886 CZ PHE A 65 -5.112 -0.471 -5.366 1.00 0.00 C ATOM 0 H PHE A 65 -6.913 4.631 -6.528 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.341 3.721 -7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.241 2.951 -7.880 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.055 2.388 -9.041 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.029 2.297 -5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.501 0.653 -8.482 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.419 0.464 -3.956 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.888 -1.181 -6.966 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.840 -1.275 -4.698 1.00 0.00 H new ATOM 896 N GLU A 66 -4.313 5.648 -9.223 1.00 0.00 N ATOM 897 CA GLU A 66 -4.179 6.497 -10.400 1.00 0.00 C ATOM 898 C GLU A 66 -2.991 6.062 -11.253 1.00 0.00 C ATOM 899 O GLU A 66 -3.158 5.608 -12.385 1.00 0.00 O ATOM 900 CB GLU A 66 -4.013 7.961 -9.984 1.00 0.00 C ATOM 901 CG GLU A 66 -5.080 8.443 -9.016 1.00 0.00 C ATOM 902 CD GLU A 66 -4.865 9.879 -8.580 1.00 0.00 C ATOM 903 OE1 GLU A 66 -3.832 10.467 -8.963 1.00 0.00 O ATOM 904 OE2 GLU A 66 -5.729 10.415 -7.855 1.00 0.00 O ATOM 0 H GLU A 66 -3.556 5.743 -8.546 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.087 6.396 -10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.033 8.091 -9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.033 8.588 -10.875 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.059 8.352 -9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.087 7.798 -8.138 1.00 0.00 H new ATOM 911 N HIS A 67 -1.790 6.203 -10.701 1.00 0.00 N ATOM 912 CA HIS A 67 -0.573 5.824 -11.410 1.00 0.00 C ATOM 913 C HIS A 67 -0.439 4.306 -11.487 1.00 0.00 C ATOM 914 O HIS A 67 0.177 3.773 -12.411 1.00 0.00 O ATOM 915 CB HIS A 67 0.653 6.421 -10.718 1.00 0.00 C ATOM 916 CG HIS A 67 0.746 7.911 -10.845 1.00 0.00 C ATOM 917 ND1 HIS A 67 1.433 8.701 -9.948 1.00 0.00 N ATOM 918 CD2 HIS A 67 0.237 8.754 -11.774 1.00 0.00 C ATOM 919 CE1 HIS A 67 1.339 9.966 -10.318 1.00 0.00 C ATOM 920 NE2 HIS A 67 0.619 10.025 -11.423 1.00 0.00 N ATOM 0 H HIS A 67 -1.634 6.577 -9.765 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.636 6.218 -12.424 1.00 0.00 H new ATOM 0 HB2 HIS A 67 0.629 6.155 -9.661 1.00 0.00 H new ATOM 0 HB3 HIS A 67 1.552 5.972 -11.139 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.359 8.478 -12.632 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.777 10.809 -9.804 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.385 10.877 -11.933 1.00 0.00 H new ATOM 928 N LEU A 68 -1.019 3.616 -10.512 1.00 0.00 N ATOM 929 CA LEU A 68 -0.965 2.159 -10.469 1.00 0.00 C ATOM 930 C LEU A 68 -1.855 1.548 -11.546 1.00 0.00 C ATOM 931 O LEU A 68 -1.614 0.431 -12.003 1.00 0.00 O ATOM 932 CB LEU A 68 -1.393 1.653 -9.090 1.00 0.00 C ATOM 933 CG LEU A 68 -0.402 1.889 -7.950 1.00 0.00 C ATOM 934 CD1 LEU A 68 -0.605 3.268 -7.342 1.00 0.00 C ATOM 935 CD2 LEU A 68 -0.543 0.809 -6.888 1.00 0.00 C ATOM 0 H LEU A 68 -1.532 4.042 -9.740 1.00 0.00 H new ATOM 0 HA LEU A 68 0.064 1.853 -10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.338 2.129 -8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.585 0.582 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 68 0.608 1.840 -8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.109 3.417 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.451 4.029 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.619 3.347 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.170 0.993 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.556 0.825 -6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.345 -0.166 -7.332 1.00 0.00 H new ATOM 947 N GLN A 69 -2.882 2.290 -11.949 1.00 0.00 N ATOM 948 CA GLN A 69 -3.806 1.822 -12.974 1.00 0.00 C ATOM 949 C GLN A 69 -3.065 1.491 -14.265 1.00 0.00 C ATOM 950 O GLN A 69 -3.209 0.398 -14.812 1.00 0.00 O ATOM 951 CB GLN A 69 -4.880 2.878 -13.244 1.00 0.00 C ATOM 952 CG GLN A 69 -6.191 2.298 -13.749 1.00 0.00 C ATOM 953 CD GLN A 69 -7.154 3.365 -14.231 1.00 0.00 C ATOM 954 OE1 GLN A 69 -7.982 3.861 -13.466 1.00 0.00 O ATOM 955 NE2 GLN A 69 -7.050 3.724 -15.505 1.00 0.00 N ATOM 0 H GLN A 69 -3.094 3.217 -11.581 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.284 0.913 -12.608 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.069 3.435 -12.326 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.501 3.590 -13.977 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.987 1.604 -14.564 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.661 1.723 -12.951 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.349 3.286 -16.103 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.671 4.438 -15.886 1.00 0.00 H new ATOM 964 N ALA A 70 -2.273 2.443 -14.747 1.00 0.00 N ATOM 965 CA ALA A 70 -1.508 2.252 -15.974 1.00 0.00 C ATOM 966 C ALA A 70 -0.030 2.037 -15.670 1.00 0.00 C ATOM 967 O ALA A 70 0.383 2.039 -14.511 1.00 0.00 O ATOM 968 CB ALA A 70 -1.691 3.444 -16.901 1.00 0.00 C ATOM 0 H ALA A 70 -2.144 3.354 -14.307 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.883 1.358 -16.472 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.114 3.288 -17.813 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.746 3.551 -17.153 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.344 4.349 -16.403 1.00 0.00 H new ATOM 974 N ASN A 71 0.764 1.852 -16.720 1.00 0.00 N ATOM 975 CA ASN A 71 2.198 1.634 -16.565 1.00 0.00 C ATOM 976 C ASN A 71 2.993 2.645 -17.387 1.00 0.00 C ATOM 977 O ASN A 71 3.733 3.460 -16.837 1.00 0.00 O ATOM 978 CB ASN A 71 2.568 0.212 -16.989 1.00 0.00 C ATOM 979 CG ASN A 71 4.055 -0.058 -16.872 1.00 0.00 C ATOM 980 OD1 ASN A 71 4.581 -0.234 -15.772 1.00 0.00 O ATOM 981 ND2 ASN A 71 4.742 -0.093 -18.008 1.00 0.00 N ATOM 0 H ASN A 71 0.439 1.849 -17.687 1.00 0.00 H new ATOM 0 HA ASN A 71 2.449 1.769 -15.513 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.022 -0.502 -16.372 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.252 0.049 -18.019 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.746 -0.271 -17.991 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.265 0.058 -18.897 1.00 0.00 H new ATOM 988 N GLN A 72 2.834 2.584 -18.705 1.00 0.00 N ATOM 989 CA GLN A 72 3.538 3.493 -19.601 1.00 0.00 C ATOM 990 C GLN A 72 2.553 4.349 -20.391 1.00 0.00 C ATOM 991 O GLN A 72 1.340 4.151 -20.312 1.00 0.00 O ATOM 992 CB GLN A 72 4.432 2.707 -20.561 1.00 0.00 C ATOM 993 CG GLN A 72 3.659 1.841 -21.542 1.00 0.00 C ATOM 994 CD GLN A 72 3.300 2.580 -22.816 1.00 0.00 C ATOM 995 OE1 GLN A 72 3.957 3.552 -23.190 1.00 0.00 O ATOM 996 NE2 GLN A 72 2.253 2.122 -23.492 1.00 0.00 N ATOM 0 H GLN A 72 2.224 1.915 -19.176 1.00 0.00 H new ATOM 0 HA GLN A 72 4.160 4.152 -18.994 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.055 3.406 -21.119 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.104 2.074 -19.982 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.254 0.962 -21.792 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.747 1.484 -21.065 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.737 1.313 -23.146 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.965 2.579 -24.357 1.00 0.00 H new ATOM 1005 N HIS A 73 3.082 5.301 -21.154 1.00 0.00 N ATOM 1006 CA HIS A 73 2.249 6.187 -21.959 1.00 0.00 C ATOM 1007 C HIS A 73 2.713 6.197 -23.412 1.00 0.00 C ATOM 1008 O HIS A 73 1.994 5.751 -24.308 1.00 0.00 O ATOM 1009 CB HIS A 73 2.280 7.606 -21.391 1.00 0.00 C ATOM 1010 CG HIS A 73 1.269 7.842 -20.312 1.00 0.00 C ATOM 1011 ND1 HIS A 73 1.590 7.862 -18.971 1.00 0.00 N ATOM 1012 CD2 HIS A 73 -0.064 8.071 -20.382 1.00 0.00 C ATOM 1013 CE1 HIS A 73 0.498 8.091 -18.263 1.00 0.00 C ATOM 1014 NE2 HIS A 73 -0.519 8.222 -19.095 1.00 0.00 N ATOM 0 H HIS A 73 4.083 5.478 -21.231 1.00 0.00 H new ATOM 0 HA HIS A 73 1.226 5.813 -21.926 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.275 7.808 -20.995 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.108 8.316 -22.200 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.658 8.125 -21.282 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.446 8.159 -17.186 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.486 8.406 -18.826 1.00 0.00 H new ATOM 1022 N LEU A 74 3.917 6.709 -23.640 1.00 0.00 N ATOM 1023 CA LEU A 74 4.478 6.778 -24.985 1.00 0.00 C ATOM 1024 C LEU A 74 5.523 5.687 -25.196 1.00 0.00 C ATOM 1025 O LEU A 74 6.612 5.739 -24.626 1.00 0.00 O ATOM 1026 CB LEU A 74 5.102 8.153 -25.228 1.00 0.00 C ATOM 1027 CG LEU A 74 6.025 8.265 -26.443 1.00 0.00 C ATOM 1028 CD1 LEU A 74 5.320 7.770 -27.696 1.00 0.00 C ATOM 1029 CD2 LEU A 74 6.495 9.701 -26.624 1.00 0.00 C ATOM 0 H LEU A 74 4.524 7.083 -22.911 1.00 0.00 H new ATOM 0 HA LEU A 74 3.669 6.622 -25.698 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.298 8.880 -25.339 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.667 8.436 -24.340 1.00 0.00 H new ATOM 0 HG LEU A 74 6.899 7.637 -26.271 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.992 7.857 -28.550 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.034 6.726 -27.564 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.428 8.371 -27.873 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.151 9.763 -27.493 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.632 10.350 -26.774 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.039 10.020 -25.735 1.00 0.00 H new ATOM 1041 N ALA A 75 5.184 4.701 -26.021 1.00 0.00 N ATOM 1042 CA ALA A 75 6.094 3.601 -26.311 1.00 0.00 C ATOM 1043 C ALA A 75 6.202 3.358 -27.812 1.00 0.00 C ATOM 1044 O ALA A 75 5.283 3.671 -28.568 1.00 0.00 O ATOM 1045 CB ALA A 75 5.635 2.335 -25.602 1.00 0.00 C ATOM 0 H ALA A 75 4.285 4.642 -26.500 1.00 0.00 H new ATOM 0 HA ALA A 75 7.082 3.874 -25.942 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.324 1.521 -25.828 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.617 2.507 -24.526 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.635 2.069 -25.944 1.00 0.00 H new ATOM 1051 N ASN A 76 7.331 2.800 -28.238 1.00 0.00 N ATOM 1052 CA ASN A 76 7.559 2.518 -29.650 1.00 0.00 C ATOM 1053 C ASN A 76 8.140 1.120 -29.838 1.00 0.00 C ATOM 1054 O ASN A 76 8.955 0.891 -30.733 1.00 0.00 O ATOM 1055 CB ASN A 76 8.501 3.560 -30.255 1.00 0.00 C ATOM 1056 CG ASN A 76 8.377 3.646 -31.763 1.00 0.00 C ATOM 1057 OD1 ASN A 76 7.560 2.954 -32.371 1.00 0.00 O ATOM 1058 ND2 ASN A 76 9.189 4.499 -32.376 1.00 0.00 N ATOM 0 H ASN A 76 8.102 2.534 -27.625 1.00 0.00 H new ATOM 0 HA ASN A 76 6.599 2.566 -30.164 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.286 4.536 -29.819 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.529 3.312 -29.991 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.151 4.600 -33.390 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.851 5.053 -31.833 1.00 0.00 H new ATOM 1065 N ILE A 77 7.716 0.189 -28.989 1.00 0.00 N ATOM 1066 CA ILE A 77 8.193 -1.186 -29.063 1.00 0.00 C ATOM 1067 C ILE A 77 7.198 -2.074 -29.802 1.00 0.00 C ATOM 1068 O ILE A 77 6.171 -2.468 -29.249 1.00 0.00 O ATOM 1069 CB ILE A 77 8.444 -1.771 -27.661 1.00 0.00 C ATOM 1070 CG1 ILE A 77 9.418 -0.885 -26.882 1.00 0.00 C ATOM 1071 CG2 ILE A 77 8.979 -3.191 -27.767 1.00 0.00 C ATOM 1072 CD1 ILE A 77 9.562 -1.279 -25.428 1.00 0.00 C ATOM 0 H ILE A 77 7.043 0.363 -28.242 1.00 0.00 H new ATOM 0 HA ILE A 77 9.134 -1.164 -29.612 1.00 0.00 H new ATOM 0 HB ILE A 77 7.498 -1.800 -27.121 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.397 -0.927 -27.360 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.080 0.150 -26.938 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.151 -3.590 -26.768 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.253 -3.816 -28.287 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.917 -3.186 -28.322 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.268 -0.608 -24.937 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.593 -1.210 -24.935 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.930 -2.303 -25.363 1.00 0.00 H new ATOM 1084 N VAL A 78 7.510 -2.388 -31.056 1.00 0.00 N ATOM 1085 CA VAL A 78 6.644 -3.233 -31.870 1.00 0.00 C ATOM 1086 C VAL A 78 7.314 -4.566 -32.183 1.00 0.00 C ATOM 1087 O VAL A 78 6.642 -5.568 -32.421 1.00 0.00 O ATOM 1088 CB VAL A 78 6.265 -2.539 -33.192 1.00 0.00 C ATOM 1089 CG1 VAL A 78 7.510 -2.236 -34.012 1.00 0.00 C ATOM 1090 CG2 VAL A 78 5.291 -3.397 -33.984 1.00 0.00 C ATOM 0 H VAL A 78 8.355 -2.070 -31.530 1.00 0.00 H new ATOM 0 HA VAL A 78 5.739 -3.412 -31.289 1.00 0.00 H new ATOM 0 HB VAL A 78 5.774 -1.594 -32.958 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.223 -1.746 -34.942 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.169 -1.579 -33.444 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.032 -3.166 -34.238 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.034 -2.891 -34.915 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.753 -4.358 -34.209 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.387 -3.557 -33.397 1.00 0.00 H new ATOM 1100 N GLU A 79 8.644 -4.569 -32.179 1.00 0.00 N ATOM 1101 CA GLU A 79 9.405 -5.780 -32.463 1.00 0.00 C ATOM 1102 C GLU A 79 9.509 -6.661 -31.221 1.00 0.00 C ATOM 1103 O GLU A 79 9.001 -6.312 -30.155 1.00 0.00 O ATOM 1104 CB GLU A 79 10.804 -5.423 -32.967 1.00 0.00 C ATOM 1105 CG GLU A 79 11.394 -6.459 -33.909 1.00 0.00 C ATOM 1106 CD GLU A 79 11.410 -7.852 -33.309 1.00 0.00 C ATOM 1107 OE1 GLU A 79 12.299 -8.129 -32.477 1.00 0.00 O ATOM 1108 OE2 GLU A 79 10.534 -8.664 -33.672 1.00 0.00 O ATOM 0 H GLU A 79 9.216 -3.747 -31.982 1.00 0.00 H new ATOM 0 HA GLU A 79 8.878 -6.336 -33.239 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.762 -4.461 -33.478 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.469 -5.301 -32.112 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.818 -6.473 -34.834 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.411 -6.169 -34.171 1.00 0.00 H new TER 1115 GLU A 79 HETATM 1116 ZN ZN A 200 4.679 -9.284 -2.292 1.00 0.00 ZN HETATM 1117 ZN ZN A 400 2.872 2.472 3.230 1.00 0.00 ZN