USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 404 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 63 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 48 MET CE :methyl 169:sc= -0.181 (180deg=-0.619) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.00581 K(o=0.0058,f=-3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00278 USER MOD Single : A 66 MET CE :methyl -139:sc= 0 (180deg=-0.343) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -4.197 0.596 25.232 1.00 0.00 N ATOM 2 CA GLY A 19 -3.266 1.728 25.427 1.00 0.00 C ATOM 3 C GLY A 19 -2.132 1.646 24.419 1.00 0.00 C ATOM 4 O GLY A 19 -1.273 0.772 24.519 1.00 0.00 O ATOM 0 HA2 GLY A 19 -3.799 2.672 25.312 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.865 1.710 26.440 1.00 0.00 H new ATOM 10 N ASP A 20 -2.148 2.519 23.409 1.00 0.00 N ATOM 11 CA ASP A 20 -1.424 2.343 22.136 1.00 0.00 C ATOM 12 C ASP A 20 -0.745 3.659 21.691 1.00 0.00 C ATOM 13 O ASP A 20 -0.809 4.070 20.530 1.00 0.00 O ATOM 14 CB ASP A 20 -2.407 1.766 21.097 1.00 0.00 C ATOM 15 CG ASP A 20 -2.938 0.381 21.511 1.00 0.00 C ATOM 16 OD1 ASP A 20 -3.946 0.313 22.259 1.00 0.00 O ATOM 17 OD2 ASP A 20 -2.337 -0.645 21.111 1.00 0.00 O ATOM 0 H ASP A 20 -2.676 3.391 23.449 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.605 1.634 22.253 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.244 2.452 20.970 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.909 1.689 20.131 1.00 0.00 H new ATOM 22 N LYS A 21 -0.098 4.335 22.655 1.00 0.00 N ATOM 23 CA LYS A 21 0.439 5.713 22.596 1.00 0.00 C ATOM 24 C LYS A 21 1.334 6.027 21.387 1.00 0.00 C ATOM 25 O LYS A 21 1.366 7.170 20.930 1.00 0.00 O ATOM 26 CB LYS A 21 1.224 6.009 23.890 1.00 0.00 C ATOM 27 CG LYS A 21 0.386 5.868 25.174 1.00 0.00 C ATOM 28 CD LYS A 21 1.141 6.326 26.433 1.00 0.00 C ATOM 29 CE LYS A 21 2.354 5.436 26.748 1.00 0.00 C ATOM 30 NZ LYS A 21 3.050 5.877 27.986 1.00 0.00 N ATOM 0 H LYS A 21 0.078 3.905 23.563 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.435 6.355 22.485 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.077 5.333 23.949 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.623 7.022 23.838 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.528 6.453 25.072 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.087 4.827 25.294 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.475 7.355 26.299 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.460 6.320 27.284 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.028 4.402 26.862 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.051 5.460 25.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.863 5.254 28.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.383 6.855 27.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.392 5.830 28.790 1.00 0.00 H new ATOM 44 N GLU A 22 2.065 5.032 20.883 1.00 0.00 N ATOM 45 CA GLU A 22 3.072 5.156 19.814 1.00 0.00 C ATOM 46 C GLU A 22 2.874 4.122 18.680 1.00 0.00 C ATOM 47 O GLU A 22 3.818 3.775 17.966 1.00 0.00 O ATOM 48 CB GLU A 22 4.489 5.109 20.425 1.00 0.00 C ATOM 49 CG GLU A 22 4.755 6.261 21.406 1.00 0.00 C ATOM 50 CD GLU A 22 6.232 6.294 21.842 1.00 0.00 C ATOM 51 OE1 GLU A 22 6.600 5.592 22.817 1.00 0.00 O ATOM 52 OE2 GLU A 22 7.037 7.031 21.222 1.00 0.00 O ATOM 0 H GLU A 22 1.972 4.074 21.219 1.00 0.00 H new ATOM 0 HA GLU A 22 2.940 6.125 19.333 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.625 4.159 20.942 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.226 5.144 19.623 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.490 7.209 20.938 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.117 6.150 22.283 1.00 0.00 H new ATOM 59 N GLU A 23 1.648 3.616 18.493 1.00 0.00 N ATOM 60 CA GLU A 23 1.243 2.799 17.346 1.00 0.00 C ATOM 61 C GLU A 23 1.486 3.515 15.997 1.00 0.00 C ATOM 62 O GLU A 23 1.515 4.748 15.911 1.00 0.00 O ATOM 63 CB GLU A 23 -0.236 2.433 17.557 1.00 0.00 C ATOM 64 CG GLU A 23 -0.854 1.622 16.422 1.00 0.00 C ATOM 65 CD GLU A 23 -2.263 1.104 16.780 1.00 0.00 C ATOM 66 OE1 GLU A 23 -3.215 1.918 16.866 1.00 0.00 O ATOM 67 OE2 GLU A 23 -2.433 -0.127 16.951 1.00 0.00 O ATOM 0 H GLU A 23 0.889 3.770 19.157 1.00 0.00 H new ATOM 0 HA GLU A 23 1.852 1.897 17.291 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.329 1.867 18.484 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.810 3.351 17.685 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.912 2.239 15.526 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.207 0.777 16.186 1.00 0.00 H new ATOM 74 N CYS A 24 1.657 2.728 14.932 1.00 0.00 N ATOM 75 CA CYS A 24 1.934 3.220 13.580 1.00 0.00 C ATOM 76 C CYS A 24 0.779 4.053 12.988 1.00 0.00 C ATOM 77 O CYS A 24 -0.403 3.739 13.160 1.00 0.00 O ATOM 78 CB CYS A 24 2.310 2.040 12.673 1.00 0.00 C ATOM 79 SG CYS A 24 1.061 0.747 12.428 1.00 0.00 S ATOM 0 H CYS A 24 1.606 1.711 14.986 1.00 0.00 H new ATOM 0 HA CYS A 24 2.778 3.907 13.643 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.579 2.439 11.695 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.205 1.571 13.083 1.00 0.00 H new ATOM 84 N THR A 25 1.136 5.110 12.256 1.00 0.00 N ATOM 85 CA THR A 25 0.227 6.051 11.573 1.00 0.00 C ATOM 86 C THR A 25 0.775 6.438 10.192 1.00 0.00 C ATOM 87 O THR A 25 1.910 6.100 9.842 1.00 0.00 O ATOM 88 CB THR A 25 0.001 7.327 12.414 1.00 0.00 C ATOM 89 OG1 THR A 25 1.228 7.974 12.684 1.00 0.00 O ATOM 90 CG2 THR A 25 -0.694 7.054 13.749 1.00 0.00 C ATOM 0 H THR A 25 2.117 5.351 12.112 1.00 0.00 H new ATOM 0 HA THR A 25 -0.729 5.542 11.448 1.00 0.00 H new ATOM 0 HB THR A 25 -0.649 7.961 11.811 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.063 8.780 13.216 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.823 7.991 14.291 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.670 6.604 13.566 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.086 6.372 14.343 1.00 0.00 H new ATOM 98 N VAL A 26 -0.024 7.163 9.399 1.00 0.00 N ATOM 99 CA VAL A 26 0.366 7.716 8.089 1.00 0.00 C ATOM 100 C VAL A 26 0.084 9.229 8.074 1.00 0.00 C ATOM 101 O VAL A 26 -0.999 9.649 7.652 1.00 0.00 O ATOM 102 CB VAL A 26 -0.312 6.975 6.919 1.00 0.00 C ATOM 103 CG1 VAL A 26 0.292 7.415 5.578 1.00 0.00 C ATOM 104 CG2 VAL A 26 -0.140 5.454 7.032 1.00 0.00 C ATOM 0 H VAL A 26 -0.985 7.389 9.654 1.00 0.00 H new ATOM 0 HA VAL A 26 1.435 7.562 7.944 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.372 7.226 6.965 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.200 6.881 4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.147 8.487 5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.358 7.189 5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.632 4.969 6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.921 5.206 7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.587 5.105 7.963 1.00 0.00 H new ATOM 114 N PRO A 27 1.008 10.061 8.589 1.00 0.00 N ATOM 115 CA PRO A 27 0.839 11.514 8.620 1.00 0.00 C ATOM 116 C PRO A 27 0.967 12.131 7.217 1.00 0.00 C ATOM 117 O PRO A 27 1.559 11.542 6.306 1.00 0.00 O ATOM 118 CB PRO A 27 1.933 12.016 9.571 1.00 0.00 C ATOM 119 CG PRO A 27 3.049 10.987 9.405 1.00 0.00 C ATOM 120 CD PRO A 27 2.286 9.683 9.176 1.00 0.00 C ATOM 0 HA PRO A 27 -0.155 11.803 8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.268 13.018 9.304 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.579 12.062 10.601 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.698 11.228 8.563 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.683 10.933 10.290 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.839 9.019 8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.141 9.147 10.114 1.00 0.00 H new ATOM 128 N ILE A 28 0.442 13.347 7.045 1.00 0.00 N ATOM 129 CA ILE A 28 0.606 14.122 5.807 1.00 0.00 C ATOM 130 C ILE A 28 2.095 14.423 5.545 1.00 0.00 C ATOM 131 O ILE A 28 2.871 14.674 6.471 1.00 0.00 O ATOM 132 CB ILE A 28 -0.287 15.387 5.833 1.00 0.00 C ATOM 133 CG1 ILE A 28 -0.388 16.101 4.467 1.00 0.00 C ATOM 134 CG2 ILE A 28 0.172 16.406 6.889 1.00 0.00 C ATOM 135 CD1 ILE A 28 -1.031 15.251 3.363 1.00 0.00 C ATOM 0 H ILE A 28 -0.109 13.824 7.758 1.00 0.00 H new ATOM 0 HA ILE A 28 0.265 13.526 4.960 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.276 15.011 6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.967 17.017 4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.612 16.396 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.486 17.274 6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.135 15.948 7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.193 16.719 6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.065 15.824 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.441 14.347 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.044 14.978 3.658 1.00 0.00 H new ATOM 147 N GLY A 29 2.505 14.366 4.276 1.00 0.00 N ATOM 148 CA GLY A 29 3.893 14.564 3.844 1.00 0.00 C ATOM 149 C GLY A 29 4.760 13.294 3.827 1.00 0.00 C ATOM 150 O GLY A 29 5.911 13.358 3.384 1.00 0.00 O ATOM 0 H GLY A 29 1.868 14.177 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.887 14.994 2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.361 15.296 4.503 1.00 0.00 H new ATOM 154 N TRP A 30 4.242 12.138 4.269 1.00 0.00 N ATOM 155 CA TRP A 30 4.876 10.832 4.048 1.00 0.00 C ATOM 156 C TRP A 30 4.874 10.463 2.545 1.00 0.00 C ATOM 157 O TRP A 30 4.038 10.951 1.780 1.00 0.00 O ATOM 158 CB TRP A 30 4.157 9.772 4.901 1.00 0.00 C ATOM 159 CG TRP A 30 4.849 8.444 4.945 1.00 0.00 C ATOM 160 CD1 TRP A 30 4.693 7.459 4.038 1.00 0.00 C ATOM 161 CD2 TRP A 30 5.861 7.963 5.881 1.00 0.00 C ATOM 162 NE1 TRP A 30 5.582 6.434 4.297 1.00 0.00 N ATOM 163 CE2 TRP A 30 6.343 6.704 5.415 1.00 0.00 C ATOM 164 CE3 TRP A 30 6.441 8.477 7.060 1.00 0.00 C ATOM 165 CZ2 TRP A 30 7.386 6.018 6.054 1.00 0.00 C ATOM 166 CZ3 TRP A 30 7.467 7.781 7.730 1.00 0.00 C ATOM 167 CH2 TRP A 30 7.947 6.559 7.224 1.00 0.00 C ATOM 0 H TRP A 30 3.368 12.084 4.792 1.00 0.00 H new ATOM 0 HA TRP A 30 5.920 10.876 4.357 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.055 10.149 5.918 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.149 9.631 4.511 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.978 7.470 3.228 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.665 5.587 3.734 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.093 9.420 7.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.754 5.085 5.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.888 8.188 8.638 1.00 0.00 H new ATOM 0 HH2 TRP A 30 8.744 6.038 7.733 1.00 0.00 H new ATOM 178 N SER A 31 5.792 9.592 2.111 1.00 0.00 N ATOM 179 CA SER A 31 5.862 9.069 0.736 1.00 0.00 C ATOM 180 C SER A 31 4.807 7.976 0.488 1.00 0.00 C ATOM 181 O SER A 31 4.989 6.817 0.869 1.00 0.00 O ATOM 182 CB SER A 31 7.276 8.551 0.446 1.00 0.00 C ATOM 183 OG SER A 31 7.420 8.257 -0.936 1.00 0.00 O ATOM 0 H SER A 31 6.524 9.221 2.717 1.00 0.00 H new ATOM 0 HA SER A 31 5.639 9.885 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.012 9.297 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.471 7.656 1.037 1.00 0.00 H new ATOM 0 HG SER A 31 8.327 7.929 -1.108 1.00 0.00 H new ATOM 189 N GLU A 32 3.674 8.342 -0.112 1.00 0.00 N ATOM 190 CA GLU A 32 2.544 7.453 -0.443 1.00 0.00 C ATOM 191 C GLU A 32 2.463 7.105 -1.951 1.00 0.00 C ATOM 192 O GLU A 32 2.989 7.849 -2.789 1.00 0.00 O ATOM 193 CB GLU A 32 1.211 8.050 0.071 1.00 0.00 C ATOM 194 CG GLU A 32 1.072 9.583 0.118 1.00 0.00 C ATOM 195 CD GLU A 32 1.381 10.288 -1.219 1.00 0.00 C ATOM 196 OE1 GLU A 32 0.466 10.411 -2.069 1.00 0.00 O ATOM 197 OE2 GLU A 32 2.527 10.768 -1.402 1.00 0.00 O ATOM 0 H GLU A 32 3.505 9.307 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 32 2.726 6.510 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.408 7.662 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.042 7.669 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.056 9.835 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.741 9.974 0.885 1.00 0.00 H new ATOM 204 N PRO A 33 1.810 5.986 -2.330 1.00 0.00 N ATOM 205 CA PRO A 33 1.608 5.615 -3.734 1.00 0.00 C ATOM 206 C PRO A 33 0.514 6.458 -4.418 1.00 0.00 C ATOM 207 O PRO A 33 -0.340 7.056 -3.759 1.00 0.00 O ATOM 208 CB PRO A 33 1.232 4.133 -3.688 1.00 0.00 C ATOM 209 CG PRO A 33 0.485 4.000 -2.361 1.00 0.00 C ATOM 210 CD PRO A 33 1.252 4.959 -1.453 1.00 0.00 C ATOM 0 HA PRO A 33 2.503 5.800 -4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.604 3.851 -4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.114 3.493 -3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.564 4.282 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.508 2.978 -1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.592 5.400 -0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.041 4.437 -0.912 1.00 0.00 H new ATOM 218 N VAL A 34 0.512 6.472 -5.757 1.00 0.00 N ATOM 219 CA VAL A 34 -0.471 7.201 -6.585 1.00 0.00 C ATOM 220 C VAL A 34 -1.624 6.295 -7.032 1.00 0.00 C ATOM 221 O VAL A 34 -1.409 5.165 -7.480 1.00 0.00 O ATOM 222 CB VAL A 34 0.220 7.901 -7.771 1.00 0.00 C ATOM 223 CG1 VAL A 34 0.751 6.941 -8.841 1.00 0.00 C ATOM 224 CG2 VAL A 34 -0.699 8.928 -8.443 1.00 0.00 C ATOM 0 H VAL A 34 1.205 5.969 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.918 7.979 -5.966 1.00 0.00 H new ATOM 0 HB VAL A 34 1.077 8.403 -7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.223 7.512 -9.641 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.483 6.268 -8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.075 6.359 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.173 9.398 -9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.593 8.428 -8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.986 9.689 -7.718 1.00 0.00 H new ATOM 234 N LYS A 35 -2.861 6.794 -6.914 1.00 0.00 N ATOM 235 CA LYS A 35 -4.077 6.112 -7.391 1.00 0.00 C ATOM 236 C LYS A 35 -4.078 6.025 -8.923 1.00 0.00 C ATOM 237 O LYS A 35 -3.717 6.990 -9.599 1.00 0.00 O ATOM 238 CB LYS A 35 -5.322 6.864 -6.878 1.00 0.00 C ATOM 239 CG LYS A 35 -6.569 5.965 -6.863 1.00 0.00 C ATOM 240 CD LYS A 35 -7.867 6.751 -6.646 1.00 0.00 C ATOM 241 CE LYS A 35 -8.972 5.840 -6.095 1.00 0.00 C ATOM 242 NZ LYS A 35 -10.219 6.603 -5.818 1.00 0.00 N ATOM 0 H LYS A 35 -3.051 7.696 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.097 5.094 -7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.132 7.237 -5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.508 7.732 -7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.632 5.423 -7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.465 5.220 -6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.688 7.573 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.191 7.194 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.182 5.046 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.627 5.360 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.945 5.958 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.023 7.345 -5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.561 7.040 -6.697 1.00 0.00 H new ATOM 256 N GLY A 36 -4.548 4.909 -9.483 1.00 0.00 N ATOM 257 CA GLY A 36 -4.684 4.738 -10.939 1.00 0.00 C ATOM 258 C GLY A 36 -5.888 5.463 -11.567 1.00 0.00 C ATOM 259 O GLY A 36 -5.971 5.549 -12.791 1.00 0.00 O ATOM 0 H GLY A 36 -4.846 4.096 -8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.773 5.095 -11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.764 3.673 -11.159 1.00 0.00 H new ATOM 263 N LEU A 37 -6.812 5.994 -10.747 1.00 0.00 N ATOM 264 CA LEU A 37 -8.048 6.713 -11.129 1.00 0.00 C ATOM 265 C LEU A 37 -9.072 5.864 -11.925 1.00 0.00 C ATOM 266 O LEU A 37 -10.012 6.404 -12.514 1.00 0.00 O ATOM 267 CB LEU A 37 -7.708 8.041 -11.854 1.00 0.00 C ATOM 268 CG LEU A 37 -6.668 8.956 -11.178 1.00 0.00 C ATOM 269 CD1 LEU A 37 -6.432 10.191 -12.049 1.00 0.00 C ATOM 270 CD2 LEU A 37 -7.118 9.434 -9.797 1.00 0.00 C ATOM 0 H LEU A 37 -6.712 5.930 -9.734 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.558 6.942 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.349 7.799 -12.854 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.631 8.608 -11.975 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.758 8.368 -11.061 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.697 10.838 -11.571 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.062 9.882 -13.027 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.369 10.735 -12.171 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.349 10.075 -9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.047 9.996 -9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.279 8.573 -9.148 1.00 0.00 H new ATOM 282 N CYS A 38 -8.895 4.540 -11.960 1.00 0.00 N ATOM 283 CA CYS A 38 -9.681 3.613 -12.792 1.00 0.00 C ATOM 284 C CYS A 38 -11.051 3.256 -12.180 1.00 0.00 C ATOM 285 O CYS A 38 -11.321 3.513 -11.002 1.00 0.00 O ATOM 286 CB CYS A 38 -8.893 2.311 -13.024 1.00 0.00 C ATOM 287 SG CYS A 38 -7.112 2.474 -13.307 1.00 0.00 S ATOM 0 H CYS A 38 -8.186 4.068 -11.399 1.00 0.00 H new ATOM 0 HA CYS A 38 -9.863 4.132 -13.733 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.042 1.665 -12.159 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.328 1.799 -13.882 1.00 0.00 H new ATOM 292 N LYS A 39 -11.888 2.559 -12.964 1.00 0.00 N ATOM 293 CA LYS A 39 -13.146 1.934 -12.512 1.00 0.00 C ATOM 294 C LYS A 39 -12.938 0.840 -11.447 1.00 0.00 C ATOM 295 O LYS A 39 -13.667 0.800 -10.455 1.00 0.00 O ATOM 296 CB LYS A 39 -13.947 1.438 -13.737 1.00 0.00 C ATOM 297 CG LYS A 39 -13.343 0.222 -14.472 1.00 0.00 C ATOM 298 CD LYS A 39 -14.034 -0.064 -15.817 1.00 0.00 C ATOM 299 CE LYS A 39 -13.600 0.879 -16.952 1.00 0.00 C ATOM 300 NZ LYS A 39 -12.250 0.543 -17.485 1.00 0.00 N ATOM 0 H LYS A 39 -11.706 2.409 -13.956 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.734 2.696 -12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.955 1.181 -13.411 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.041 2.260 -14.446 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.281 0.398 -14.644 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.421 -0.658 -13.834 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.824 -1.092 -16.111 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.113 0.015 -15.684 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.329 0.830 -17.761 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.598 1.906 -16.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.003 1.206 -18.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.547 0.615 -16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.256 -0.427 -17.859 1.00 0.00 H new ATOM 314 N ALA A 40 -11.941 -0.028 -11.630 1.00 0.00 N ATOM 315 CA ALA A 40 -11.697 -1.205 -10.794 1.00 0.00 C ATOM 316 C ALA A 40 -10.797 -0.912 -9.581 1.00 0.00 C ATOM 317 O ALA A 40 -9.678 -0.406 -9.718 1.00 0.00 O ATOM 318 CB ALA A 40 -11.098 -2.307 -11.678 1.00 0.00 C ATOM 0 H ALA A 40 -11.262 0.071 -12.385 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.648 -1.530 -10.372 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.908 -3.195 -11.074 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.798 -2.554 -12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.162 -1.956 -12.112 1.00 0.00 H new ATOM 324 N ARG A 41 -11.275 -1.268 -8.382 1.00 0.00 N ATOM 325 CA ARG A 41 -10.528 -1.207 -7.119 1.00 0.00 C ATOM 326 C ARG A 41 -9.887 -2.564 -6.787 1.00 0.00 C ATOM 327 O ARG A 41 -10.494 -3.408 -6.124 1.00 0.00 O ATOM 328 CB ARG A 41 -11.435 -0.700 -5.987 1.00 0.00 C ATOM 329 CG ARG A 41 -12.126 0.642 -6.289 1.00 0.00 C ATOM 330 CD ARG A 41 -13.573 0.495 -6.786 1.00 0.00 C ATOM 331 NE ARG A 41 -14.359 1.707 -6.478 1.00 0.00 N ATOM 332 CZ ARG A 41 -14.697 2.713 -7.265 1.00 0.00 C ATOM 333 NH1 ARG A 41 -14.429 2.741 -8.538 1.00 0.00 N ATOM 334 NH2 ARG A 41 -15.328 3.741 -6.774 1.00 0.00 N ATOM 0 H ARG A 41 -12.225 -1.618 -8.260 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.711 -0.494 -7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.198 -1.451 -5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.841 -0.594 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.122 1.254 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.546 1.178 -7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.577 0.317 -7.861 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.037 -0.373 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.690 1.778 -5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.935 1.961 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.713 3.543 -9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.561 3.770 -5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.589 4.517 -7.382 1.00 0.00 H new ATOM 348 N PHE A 42 -8.660 -2.774 -7.265 1.00 0.00 N ATOM 349 CA PHE A 42 -7.786 -3.890 -6.857 1.00 0.00 C ATOM 350 C PHE A 42 -7.401 -3.795 -5.365 1.00 0.00 C ATOM 351 O PHE A 42 -7.710 -2.802 -4.708 1.00 0.00 O ATOM 352 CB PHE A 42 -6.515 -3.901 -7.729 1.00 0.00 C ATOM 353 CG PHE A 42 -6.718 -3.755 -9.228 1.00 0.00 C ATOM 354 CD1 PHE A 42 -7.746 -4.454 -9.894 1.00 0.00 C ATOM 355 CD2 PHE A 42 -5.861 -2.915 -9.964 1.00 0.00 C ATOM 356 CE1 PHE A 42 -7.931 -4.290 -11.278 1.00 0.00 C ATOM 357 CE2 PHE A 42 -6.047 -2.750 -11.348 1.00 0.00 C ATOM 358 CZ PHE A 42 -7.086 -3.433 -12.004 1.00 0.00 C ATOM 0 H PHE A 42 -8.231 -2.164 -7.961 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.338 -4.819 -6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.864 -3.094 -7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.984 -4.835 -7.546 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.393 -5.117 -9.339 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.057 -2.395 -9.464 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.723 -4.823 -11.784 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.392 -2.099 -11.907 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.235 -3.299 -13.065 1.00 0.00 H new ATOM 368 N THR A 43 -6.674 -4.787 -4.838 1.00 0.00 N ATOM 369 CA THR A 43 -6.174 -4.808 -3.448 1.00 0.00 C ATOM 370 C THR A 43 -4.651 -4.959 -3.437 1.00 0.00 C ATOM 371 O THR A 43 -4.134 -6.028 -3.772 1.00 0.00 O ATOM 372 CB THR A 43 -6.833 -5.926 -2.616 1.00 0.00 C ATOM 373 OG1 THR A 43 -8.232 -5.979 -2.826 1.00 0.00 O ATOM 374 CG2 THR A 43 -6.639 -5.683 -1.122 1.00 0.00 C ATOM 0 H THR A 43 -6.409 -5.615 -5.371 1.00 0.00 H new ATOM 0 HA THR A 43 -6.443 -3.858 -2.986 1.00 0.00 H new ATOM 0 HB THR A 43 -6.358 -6.854 -2.935 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.617 -6.700 -2.285 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.113 -6.486 -0.558 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.574 -5.659 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.091 -4.730 -0.847 1.00 0.00 H new ATOM 382 N ARG A 44 -3.914 -3.885 -3.134 1.00 0.00 N ATOM 383 CA ARG A 44 -2.437 -3.842 -3.015 1.00 0.00 C ATOM 384 C ARG A 44 -2.017 -3.592 -1.563 1.00 0.00 C ATOM 385 O ARG A 44 -2.843 -3.189 -0.747 1.00 0.00 O ATOM 386 CB ARG A 44 -1.862 -2.725 -3.902 1.00 0.00 C ATOM 387 CG ARG A 44 -2.148 -2.824 -5.406 1.00 0.00 C ATOM 388 CD ARG A 44 -1.573 -4.056 -6.116 1.00 0.00 C ATOM 389 NE ARG A 44 -2.346 -5.280 -5.857 1.00 0.00 N ATOM 390 CZ ARG A 44 -2.163 -6.472 -6.385 1.00 0.00 C ATOM 391 NH1 ARG A 44 -1.350 -6.681 -7.379 1.00 0.00 N ATOM 392 NH2 ARG A 44 -2.763 -7.498 -5.868 1.00 0.00 N ATOM 0 H ARG A 44 -4.342 -2.977 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.047 -4.806 -3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.251 -1.772 -3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.781 -2.701 -3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.228 -2.815 -5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.753 -1.931 -5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.546 -3.870 -7.190 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.543 -4.208 -5.792 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.113 -5.196 -5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.824 -5.904 -7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.239 -7.622 -7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.372 -7.378 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.627 -8.425 -6.271 1.00 0.00 H new ATOM 406 N TYR A 45 -0.735 -3.765 -1.250 1.00 0.00 N ATOM 407 CA TYR A 45 -0.175 -3.566 0.094 1.00 0.00 C ATOM 408 C TYR A 45 1.152 -2.793 0.026 1.00 0.00 C ATOM 409 O TYR A 45 1.962 -3.024 -0.875 1.00 0.00 O ATOM 410 CB TYR A 45 -0.011 -4.935 0.776 1.00 0.00 C ATOM 411 CG TYR A 45 -1.295 -5.751 0.851 1.00 0.00 C ATOM 412 CD1 TYR A 45 -2.167 -5.606 1.951 1.00 0.00 C ATOM 413 CD2 TYR A 45 -1.641 -6.628 -0.199 1.00 0.00 C ATOM 414 CE1 TYR A 45 -3.362 -6.351 2.010 1.00 0.00 C ATOM 415 CE2 TYR A 45 -2.836 -7.369 -0.146 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.698 -7.237 0.962 1.00 0.00 C ATOM 417 OH TYR A 45 -4.850 -7.961 1.011 1.00 0.00 O ATOM 0 H TYR A 45 -0.037 -4.054 -1.936 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.857 -2.961 0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.741 -5.510 0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.369 -4.782 1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.918 -4.923 2.749 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.984 -6.731 -1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.022 -6.244 2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.093 -8.039 -0.954 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.921 -8.517 0.207 1.00 0.00 H new ATOM 427 N TYR A 46 1.383 -1.867 0.963 1.00 0.00 N ATOM 428 CA TYR A 46 2.539 -0.956 0.958 1.00 0.00 C ATOM 429 C TYR A 46 3.120 -0.743 2.367 1.00 0.00 C ATOM 430 O TYR A 46 2.378 -0.565 3.335 1.00 0.00 O ATOM 431 CB TYR A 46 2.117 0.403 0.369 1.00 0.00 C ATOM 432 CG TYR A 46 1.868 0.423 -1.131 1.00 0.00 C ATOM 433 CD1 TYR A 46 0.614 0.049 -1.656 1.00 0.00 C ATOM 434 CD2 TYR A 46 2.885 0.860 -2.002 1.00 0.00 C ATOM 435 CE1 TYR A 46 0.372 0.117 -3.043 1.00 0.00 C ATOM 436 CE2 TYR A 46 2.649 0.931 -3.388 1.00 0.00 C ATOM 437 CZ TYR A 46 1.392 0.561 -3.911 1.00 0.00 C ATOM 438 OH TYR A 46 1.168 0.632 -5.251 1.00 0.00 O ATOM 0 H TYR A 46 0.763 -1.725 1.761 1.00 0.00 H new ATOM 0 HA TYR A 46 3.316 -1.414 0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.208 0.731 0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.891 1.135 0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.166 -0.292 -0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.849 1.142 -1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.591 -0.170 -3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.431 1.269 -4.052 1.00 0.00 H new ATOM 0 HH TYR A 46 1.870 1.172 -5.672 1.00 0.00 H new ATOM 448 N CYS A 47 4.455 -0.720 2.478 1.00 0.00 N ATOM 449 CA CYS A 47 5.190 -0.432 3.714 1.00 0.00 C ATOM 450 C CYS A 47 5.112 1.052 4.105 1.00 0.00 C ATOM 451 O CYS A 47 5.953 1.865 3.712 1.00 0.00 O ATOM 452 CB CYS A 47 6.652 -0.886 3.569 1.00 0.00 C ATOM 453 SG CYS A 47 6.904 -2.642 3.900 1.00 0.00 S ATOM 0 H CYS A 47 5.070 -0.907 1.686 1.00 0.00 H new ATOM 0 HA CYS A 47 4.718 -0.993 4.521 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.993 -0.663 2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.273 -0.304 4.250 1.00 0.00 H new ATOM 458 N MET A 48 4.116 1.407 4.918 1.00 0.00 N ATOM 459 CA MET A 48 3.965 2.742 5.499 1.00 0.00 C ATOM 460 C MET A 48 4.793 2.831 6.793 1.00 0.00 C ATOM 461 O MET A 48 4.282 2.704 7.907 1.00 0.00 O ATOM 462 CB MET A 48 2.477 3.077 5.688 1.00 0.00 C ATOM 463 CG MET A 48 1.651 2.872 4.407 1.00 0.00 C ATOM 464 SD MET A 48 2.316 3.580 2.869 1.00 0.00 S ATOM 465 CE MET A 48 2.189 5.344 3.251 1.00 0.00 C ATOM 0 H MET A 48 3.377 0.762 5.197 1.00 0.00 H new ATOM 0 HA MET A 48 4.355 3.502 4.822 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.067 2.453 6.482 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.381 4.113 6.014 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.520 1.800 4.257 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.660 3.294 4.573 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.731 5.919 2.500 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.141 5.642 3.249 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.619 5.535 4.234 1.00 0.00 H new ATOM 475 N GLY A 49 6.110 2.973 6.626 1.00 0.00 N ATOM 476 CA GLY A 49 7.114 2.974 7.695 1.00 0.00 C ATOM 477 C GLY A 49 7.365 1.572 8.256 1.00 0.00 C ATOM 478 O GLY A 49 8.261 0.865 7.794 1.00 0.00 O ATOM 0 H GLY A 49 6.525 3.096 5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.049 3.383 7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.785 3.631 8.500 1.00 0.00 H new ATOM 482 N ASN A 50 6.554 1.165 9.235 1.00 0.00 N ATOM 483 CA ASN A 50 6.648 -0.116 9.948 1.00 0.00 C ATOM 484 C ASN A 50 5.373 -0.983 9.864 1.00 0.00 C ATOM 485 O ASN A 50 5.330 -2.058 10.463 1.00 0.00 O ATOM 486 CB ASN A 50 7.108 0.147 11.397 1.00 0.00 C ATOM 487 CG ASN A 50 6.062 0.829 12.267 1.00 0.00 C ATOM 488 OD1 ASN A 50 5.470 1.835 11.905 1.00 0.00 O ATOM 489 ND2 ASN A 50 5.814 0.321 13.453 1.00 0.00 N ATOM 0 H ASN A 50 5.781 1.741 9.568 1.00 0.00 H new ATOM 0 HA ASN A 50 7.397 -0.725 9.442 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.385 -0.802 11.857 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.006 0.765 11.375 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.131 0.766 14.066 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.305 -0.518 13.761 1.00 0.00 H new ATOM 496 N CYS A 51 4.354 -0.546 9.113 1.00 0.00 N ATOM 497 CA CYS A 51 3.062 -1.223 8.951 1.00 0.00 C ATOM 498 C CYS A 51 2.667 -1.357 7.468 1.00 0.00 C ATOM 499 O CYS A 51 2.604 -0.368 6.734 1.00 0.00 O ATOM 500 CB CYS A 51 2.006 -0.463 9.768 1.00 0.00 C ATOM 501 SG CYS A 51 2.134 -0.750 11.557 1.00 0.00 S ATOM 0 H CYS A 51 4.410 0.323 8.581 1.00 0.00 H new ATOM 0 HA CYS A 51 3.136 -2.243 9.327 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.104 0.605 9.571 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.013 -0.760 9.430 1.00 0.00 H new ATOM 506 N CYS A 52 2.392 -2.588 7.025 1.00 0.00 N ATOM 507 CA CYS A 52 1.857 -2.905 5.696 1.00 0.00 C ATOM 508 C CYS A 52 0.369 -2.518 5.575 1.00 0.00 C ATOM 509 O CYS A 52 -0.520 -3.342 5.807 1.00 0.00 O ATOM 510 CB CYS A 52 2.085 -4.394 5.399 1.00 0.00 C ATOM 511 SG CYS A 52 3.793 -4.798 4.972 1.00 0.00 S ATOM 0 H CYS A 52 2.540 -3.418 7.599 1.00 0.00 H new ATOM 0 HA CYS A 52 2.388 -2.314 4.950 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.790 -4.978 6.271 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.434 -4.695 4.578 1.00 0.00 H new ATOM 516 N LYS A 53 0.082 -1.259 5.223 1.00 0.00 N ATOM 517 CA LYS A 53 -1.287 -0.782 4.956 1.00 0.00 C ATOM 518 C LYS A 53 -1.783 -1.277 3.588 1.00 0.00 C ATOM 519 O LYS A 53 -1.029 -1.296 2.613 1.00 0.00 O ATOM 520 CB LYS A 53 -1.332 0.752 5.086 1.00 0.00 C ATOM 521 CG LYS A 53 -2.744 1.312 4.834 1.00 0.00 C ATOM 522 CD LYS A 53 -2.961 2.752 5.317 1.00 0.00 C ATOM 523 CE LYS A 53 -3.057 2.821 6.849 1.00 0.00 C ATOM 524 NZ LYS A 53 -3.647 4.109 7.305 1.00 0.00 N ATOM 0 H LYS A 53 0.794 -0.537 5.114 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.971 -1.197 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.000 1.041 6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.634 1.196 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.952 1.267 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.469 0.665 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.139 3.380 4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.874 3.152 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.665 1.993 7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.064 2.702 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.696 4.120 8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.053 4.898 6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.605 4.211 6.912 1.00 0.00 H new ATOM 538 N VAL A 54 -3.055 -1.674 3.521 1.00 0.00 N ATOM 539 CA VAL A 54 -3.759 -2.028 2.275 1.00 0.00 C ATOM 540 C VAL A 54 -4.196 -0.772 1.502 1.00 0.00 C ATOM 541 O VAL A 54 -4.600 0.229 2.099 1.00 0.00 O ATOM 542 CB VAL A 54 -4.948 -2.964 2.582 1.00 0.00 C ATOM 543 CG1 VAL A 54 -6.104 -2.291 3.327 1.00 0.00 C ATOM 544 CG2 VAL A 54 -5.515 -3.612 1.319 1.00 0.00 C ATOM 0 H VAL A 54 -3.644 -1.762 4.349 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.069 -2.567 1.627 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.515 -3.720 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.896 -3.019 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.746 -1.907 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.493 -1.468 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.349 -4.261 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.863 -2.836 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.738 -4.201 0.832 1.00 0.00 H new ATOM 554 N TYR A 55 -4.142 -0.830 0.172 1.00 0.00 N ATOM 555 CA TYR A 55 -4.518 0.242 -0.757 1.00 0.00 C ATOM 556 C TYR A 55 -5.450 -0.292 -1.855 1.00 0.00 C ATOM 557 O TYR A 55 -5.198 -1.349 -2.439 1.00 0.00 O ATOM 558 CB TYR A 55 -3.251 0.886 -1.345 1.00 0.00 C ATOM 559 CG TYR A 55 -2.622 1.929 -0.439 1.00 0.00 C ATOM 560 CD1 TYR A 55 -1.738 1.553 0.593 1.00 0.00 C ATOM 561 CD2 TYR A 55 -2.954 3.289 -0.611 1.00 0.00 C ATOM 562 CE1 TYR A 55 -1.190 2.530 1.447 1.00 0.00 C ATOM 563 CE2 TYR A 55 -2.415 4.268 0.245 1.00 0.00 C ATOM 564 CZ TYR A 55 -1.535 3.889 1.282 1.00 0.00 C ATOM 565 OH TYR A 55 -1.038 4.826 2.133 1.00 0.00 O ATOM 0 H TYR A 55 -3.819 -1.667 -0.314 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.070 1.011 -0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.518 0.105 -1.549 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.499 1.349 -2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.480 0.513 0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.626 3.581 -1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.505 2.239 2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.674 5.308 0.109 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.374 5.711 1.878 1.00 0.00 H new ATOM 575 N GLU A 56 -6.541 0.434 -2.121 1.00 0.00 N ATOM 576 CA GLU A 56 -7.643 0.013 -2.998 1.00 0.00 C ATOM 577 C GLU A 56 -8.056 1.144 -3.960 1.00 0.00 C ATOM 578 O GLU A 56 -8.637 2.148 -3.537 1.00 0.00 O ATOM 579 CB GLU A 56 -8.847 -0.479 -2.170 1.00 0.00 C ATOM 580 CG GLU A 56 -8.537 -1.652 -1.227 1.00 0.00 C ATOM 581 CD GLU A 56 -9.805 -2.078 -0.462 1.00 0.00 C ATOM 582 OE1 GLU A 56 -10.638 -2.835 -1.018 1.00 0.00 O ATOM 583 OE2 GLU A 56 -9.988 -1.649 0.704 1.00 0.00 O ATOM 0 H GLU A 56 -6.688 1.360 -1.720 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.287 -0.821 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.230 0.353 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.643 -0.779 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.150 -2.495 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.759 -1.363 -0.521 1.00 0.00 H new ATOM 590 N GLY A 57 -7.713 1.017 -5.249 1.00 0.00 N ATOM 591 CA GLY A 57 -7.883 2.093 -6.243 1.00 0.00 C ATOM 592 C GLY A 57 -6.928 2.019 -7.440 1.00 0.00 C ATOM 593 O GLY A 57 -6.202 2.971 -7.723 1.00 0.00 O ATOM 0 H GLY A 57 -7.309 0.164 -5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.908 2.069 -6.612 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.746 3.053 -5.745 1.00 0.00 H new ATOM 597 N CYS A 58 -6.929 0.894 -8.161 1.00 0.00 N ATOM 598 CA CYS A 58 -6.133 0.671 -9.379 1.00 0.00 C ATOM 599 C CYS A 58 -4.612 0.906 -9.201 1.00 0.00 C ATOM 600 O CYS A 58 -3.908 1.315 -10.126 1.00 0.00 O ATOM 601 CB CYS A 58 -6.758 1.494 -10.508 1.00 0.00 C ATOM 602 SG CYS A 58 -6.368 0.949 -12.193 1.00 0.00 S ATOM 0 H CYS A 58 -7.500 0.087 -7.909 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.174 -0.387 -9.637 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -7.841 1.482 -10.384 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.436 2.530 -10.398 1.00 0.00 H new ATOM 607 N TYR A 59 -4.103 0.679 -7.988 1.00 0.00 N ATOM 608 CA TYR A 59 -2.689 0.822 -7.636 1.00 0.00 C ATOM 609 C TYR A 59 -1.847 -0.290 -8.293 1.00 0.00 C ATOM 610 O TYR A 59 -2.273 -1.445 -8.352 1.00 0.00 O ATOM 611 CB TYR A 59 -2.554 0.794 -6.104 1.00 0.00 C ATOM 612 CG TYR A 59 -3.125 2.005 -5.386 1.00 0.00 C ATOM 613 CD1 TYR A 59 -2.330 3.153 -5.205 1.00 0.00 C ATOM 614 CD2 TYR A 59 -4.438 1.980 -4.879 1.00 0.00 C ATOM 615 CE1 TYR A 59 -2.848 4.276 -4.532 1.00 0.00 C ATOM 616 CE2 TYR A 59 -4.968 3.110 -4.221 1.00 0.00 C ATOM 617 CZ TYR A 59 -4.173 4.263 -4.051 1.00 0.00 C ATOM 618 OH TYR A 59 -4.672 5.359 -3.415 1.00 0.00 O ATOM 0 H TYR A 59 -4.680 0.382 -7.201 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.312 1.774 -8.010 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.050 -0.100 -5.727 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.498 0.704 -5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.319 3.172 -5.584 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.042 1.092 -4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.229 5.149 -4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.981 3.092 -3.848 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.599 5.188 -3.147 1.00 0.00 H new ATOM 628 N THR A 60 -0.644 0.047 -8.773 1.00 0.00 N ATOM 629 CA THR A 60 0.253 -0.864 -9.526 1.00 0.00 C ATOM 630 C THR A 60 1.743 -0.752 -9.156 1.00 0.00 C ATOM 631 O THR A 60 2.561 -1.526 -9.657 1.00 0.00 O ATOM 632 CB THR A 60 0.106 -0.647 -11.046 1.00 0.00 C ATOM 633 OG1 THR A 60 0.338 0.710 -11.369 1.00 0.00 O ATOM 634 CG2 THR A 60 -1.279 -1.029 -11.574 1.00 0.00 C ATOM 0 H THR A 60 -0.250 0.980 -8.651 1.00 0.00 H new ATOM 0 HA THR A 60 -0.071 -1.864 -9.239 1.00 0.00 H new ATOM 0 HB THR A 60 0.843 -1.297 -11.517 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.244 0.837 -12.336 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.320 -0.854 -12.649 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.468 -2.083 -11.371 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.037 -0.423 -11.079 1.00 0.00 H new ATOM 642 N GLY A 61 2.118 0.174 -8.265 1.00 0.00 N ATOM 643 CA GLY A 61 3.510 0.517 -7.927 1.00 0.00 C ATOM 644 C GLY A 61 4.118 -0.233 -6.730 1.00 0.00 C ATOM 645 O GLY A 61 5.194 0.149 -6.265 1.00 0.00 O ATOM 0 H GLY A 61 1.439 0.726 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.132 0.329 -8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.561 1.587 -7.724 1.00 0.00 H new ATOM 649 N GLY A 62 3.447 -1.264 -6.206 1.00 0.00 N ATOM 650 CA GLY A 62 3.828 -1.969 -4.975 1.00 0.00 C ATOM 651 C GLY A 62 3.266 -3.387 -4.850 1.00 0.00 C ATOM 652 O GLY A 62 2.724 -3.955 -5.802 1.00 0.00 O ATOM 0 H GLY A 62 2.603 -1.642 -6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.916 -2.018 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.493 -1.383 -4.119 1.00 0.00 H new ATOM 656 N TYR A 63 3.464 -3.979 -3.671 1.00 0.00 N ATOM 657 CA TYR A 63 3.307 -5.409 -3.398 1.00 0.00 C ATOM 658 C TYR A 63 1.883 -5.938 -3.626 1.00 0.00 C ATOM 659 O TYR A 63 0.888 -5.348 -3.194 1.00 0.00 O ATOM 660 CB TYR A 63 3.782 -5.709 -1.968 1.00 0.00 C ATOM 661 CG TYR A 63 5.179 -5.192 -1.682 1.00 0.00 C ATOM 662 CD1 TYR A 63 6.297 -5.861 -2.220 1.00 0.00 C ATOM 663 CD2 TYR A 63 5.355 -4.005 -0.944 1.00 0.00 C ATOM 664 CE1 TYR A 63 7.589 -5.331 -2.039 1.00 0.00 C ATOM 665 CE2 TYR A 63 6.646 -3.476 -0.755 1.00 0.00 C ATOM 666 CZ TYR A 63 7.764 -4.130 -1.313 1.00 0.00 C ATOM 667 OH TYR A 63 9.000 -3.584 -1.171 1.00 0.00 O ATOM 0 H TYR A 63 3.750 -3.453 -2.845 1.00 0.00 H new ATOM 0 HA TYR A 63 3.927 -5.939 -4.121 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.084 -5.263 -1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.759 -6.786 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.163 -6.780 -2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.498 -3.500 -0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.446 -5.841 -2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.780 -2.570 -0.183 1.00 0.00 H new ATOM 0 HH TYR A 63 8.935 -2.760 -0.644 1.00 0.00 H new ATOM 677 N SER A 64 1.801 -7.103 -4.275 1.00 0.00 N ATOM 678 CA SER A 64 0.540 -7.807 -4.553 1.00 0.00 C ATOM 679 C SER A 64 -0.092 -8.443 -3.303 1.00 0.00 C ATOM 680 O SER A 64 -1.303 -8.663 -3.256 1.00 0.00 O ATOM 681 CB SER A 64 0.781 -8.876 -5.630 1.00 0.00 C ATOM 682 OG SER A 64 -0.440 -9.345 -6.186 1.00 0.00 O ATOM 0 H SER A 64 2.622 -7.594 -4.629 1.00 0.00 H new ATOM 0 HA SER A 64 -0.173 -7.062 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.406 -8.461 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.329 -9.713 -5.196 1.00 0.00 H new ATOM 0 HG SER A 64 -0.250 -10.022 -6.868 1.00 0.00 H new ATOM 688 N ARG A 65 0.720 -8.710 -2.267 1.00 0.00 N ATOM 689 CA ARG A 65 0.343 -9.424 -1.037 1.00 0.00 C ATOM 690 C ARG A 65 0.889 -8.750 0.222 1.00 0.00 C ATOM 691 O ARG A 65 1.978 -8.172 0.210 1.00 0.00 O ATOM 692 CB ARG A 65 0.867 -10.871 -1.129 1.00 0.00 C ATOM 693 CG ARG A 65 0.043 -11.741 -2.088 1.00 0.00 C ATOM 694 CD ARG A 65 0.683 -13.129 -2.260 1.00 0.00 C ATOM 695 NE ARG A 65 -0.333 -14.200 -2.314 1.00 0.00 N ATOM 696 CZ ARG A 65 -0.749 -14.968 -1.321 1.00 0.00 C ATOM 697 NH1 ARG A 65 -0.265 -14.868 -0.114 1.00 0.00 N ATOM 698 NH2 ARG A 65 -1.673 -15.863 -1.518 1.00 0.00 N ATOM 0 H ARG A 65 1.698 -8.422 -2.264 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.744 -9.410 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.905 -10.856 -1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.855 -11.321 -0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.972 -11.849 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.033 -11.249 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.276 -13.145 -3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.367 -13.319 -1.433 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.764 -14.367 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.460 -14.180 0.089 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.611 -15.478 0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.083 -15.977 -2.445 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.987 -16.450 -0.746 1.00 0.00 H new ATOM 712 N MET A 66 0.176 -8.940 1.333 1.00 0.00 N ATOM 713 CA MET A 66 0.613 -8.609 2.696 1.00 0.00 C ATOM 714 C MET A 66 1.956 -9.284 3.025 1.00 0.00 C ATOM 715 O MET A 66 2.878 -8.642 3.529 1.00 0.00 O ATOM 716 CB MET A 66 -0.496 -9.047 3.673 1.00 0.00 C ATOM 717 CG MET A 66 -0.228 -8.652 5.129 1.00 0.00 C ATOM 718 SD MET A 66 -0.294 -6.873 5.467 1.00 0.00 S ATOM 719 CE MET A 66 -2.089 -6.612 5.517 1.00 0.00 C ATOM 0 H MET A 66 -0.760 -9.345 1.310 1.00 0.00 H new ATOM 0 HA MET A 66 0.776 -7.535 2.787 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.442 -8.608 3.355 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.612 -10.129 3.615 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.956 -9.154 5.766 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.756 -9.024 5.415 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.336 -5.680 5.008 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.591 -7.441 5.019 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.420 -6.557 6.554 1.00 0.00 H new ATOM 729 N GLY A 67 2.088 -10.568 2.669 1.00 0.00 N ATOM 730 CA GLY A 67 3.320 -11.353 2.791 1.00 0.00 C ATOM 731 C GLY A 67 4.508 -10.733 2.054 1.00 0.00 C ATOM 732 O GLY A 67 5.560 -10.545 2.654 1.00 0.00 O ATOM 0 H GLY A 67 1.315 -11.105 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.572 -11.460 3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.144 -12.356 2.402 1.00 0.00 H new ATOM 736 N GLU A 68 4.350 -10.374 0.773 1.00 0.00 N ATOM 737 CA GLU A 68 5.402 -9.722 -0.032 1.00 0.00 C ATOM 738 C GLU A 68 5.823 -8.352 0.526 1.00 0.00 C ATOM 739 O GLU A 68 7.012 -8.036 0.548 1.00 0.00 O ATOM 740 CB GLU A 68 4.962 -9.587 -1.498 1.00 0.00 C ATOM 741 CG GLU A 68 4.939 -10.915 -2.265 1.00 0.00 C ATOM 742 CD GLU A 68 6.350 -11.513 -2.448 1.00 0.00 C ATOM 743 OE1 GLU A 68 7.022 -11.200 -3.457 1.00 0.00 O ATOM 744 OE2 GLU A 68 6.793 -12.301 -1.573 1.00 0.00 O ATOM 0 H GLU A 68 3.483 -10.527 0.258 1.00 0.00 H new ATOM 0 HA GLU A 68 6.277 -10.370 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.967 -9.144 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.635 -8.896 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.311 -11.629 -1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.484 -10.759 -3.243 1.00 0.00 H new ATOM 751 N CYS A 69 4.875 -7.566 1.045 1.00 0.00 N ATOM 752 CA CYS A 69 5.167 -6.330 1.775 1.00 0.00 C ATOM 753 C CYS A 69 6.033 -6.579 3.032 1.00 0.00 C ATOM 754 O CYS A 69 7.011 -5.864 3.275 1.00 0.00 O ATOM 755 CB CYS A 69 3.826 -5.642 2.073 1.00 0.00 C ATOM 756 SG CYS A 69 3.939 -4.130 3.053 1.00 0.00 S ATOM 0 H CYS A 69 3.879 -7.771 0.970 1.00 0.00 H new ATOM 0 HA CYS A 69 5.779 -5.664 1.167 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.338 -5.407 1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.182 -6.348 2.597 1.00 0.00 H new ATOM 761 N ALA A 70 5.743 -7.636 3.800 1.00 0.00 N ATOM 762 CA ALA A 70 6.449 -7.979 5.040 1.00 0.00 C ATOM 763 C ALA A 70 7.957 -8.311 4.885 1.00 0.00 C ATOM 764 O ALA A 70 8.677 -8.302 5.885 1.00 0.00 O ATOM 765 CB ALA A 70 5.690 -9.119 5.732 1.00 0.00 C ATOM 0 H ALA A 70 4.995 -8.291 3.572 1.00 0.00 H new ATOM 0 HA ALA A 70 6.454 -7.079 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.201 -9.388 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.675 -8.795 5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.655 -9.986 5.072 1.00 0.00 H new ATOM 771 N ARG A 71 8.465 -8.563 3.664 1.00 0.00 N ATOM 772 CA ARG A 71 9.905 -8.725 3.358 1.00 0.00 C ATOM 773 C ARG A 71 10.695 -7.443 3.639 1.00 0.00 C ATOM 774 O ARG A 71 11.704 -7.465 4.342 1.00 0.00 O ATOM 775 CB ARG A 71 10.105 -9.117 1.878 1.00 0.00 C ATOM 776 CG ARG A 71 9.805 -10.581 1.537 1.00 0.00 C ATOM 777 CD ARG A 71 8.381 -11.018 1.870 1.00 0.00 C ATOM 778 NE ARG A 71 7.924 -12.167 1.064 1.00 0.00 N ATOM 779 CZ ARG A 71 7.347 -13.280 1.469 1.00 0.00 C ATOM 780 NH1 ARG A 71 7.284 -13.639 2.720 1.00 0.00 N ATOM 781 NH2 ARG A 71 6.800 -14.050 0.579 1.00 0.00 N ATOM 0 H ARG A 71 7.873 -8.663 2.840 1.00 0.00 H new ATOM 0 HA ARG A 71 10.279 -9.516 4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.469 -8.481 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.136 -8.901 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.983 -10.739 0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.505 -11.219 2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.325 -11.278 2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.704 -10.179 1.712 1.00 0.00 H new ATOM 0 HE ARG A 71 8.075 -12.089 0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.694 -13.046 3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.824 -14.513 2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.824 -13.787 -0.406 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.346 -14.918 0.865 1.00 0.00 H new ATOM 795 N ASN A 72 10.244 -6.341 3.039 1.00 0.00 N ATOM 796 CA ASN A 72 10.880 -5.019 3.125 1.00 0.00 C ATOM 797 C ASN A 72 10.568 -4.278 4.439 1.00 0.00 C ATOM 798 O ASN A 72 11.424 -3.550 4.948 1.00 0.00 O ATOM 799 CB ASN A 72 10.478 -4.184 1.894 1.00 0.00 C ATOM 800 CG ASN A 72 11.452 -4.386 0.742 1.00 0.00 C ATOM 801 OD1 ASN A 72 12.341 -3.581 0.502 1.00 0.00 O ATOM 802 ND2 ASN A 72 11.352 -5.476 0.013 1.00 0.00 N ATOM 0 H ASN A 72 9.402 -6.340 2.463 1.00 0.00 H new ATOM 0 HA ASN A 72 11.960 -5.168 3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.473 -4.463 1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.445 -3.128 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.013 -5.645 -0.746 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.614 -6.153 0.206 1.00 0.00 H new ATOM 809 N CYS A 73 9.373 -4.466 5.005 1.00 0.00 N ATOM 810 CA CYS A 73 9.012 -3.947 6.329 1.00 0.00 C ATOM 811 C CYS A 73 9.827 -4.619 7.468 1.00 0.00 C ATOM 812 O CYS A 73 10.353 -5.722 7.288 1.00 0.00 O ATOM 813 CB CYS A 73 7.500 -4.136 6.530 1.00 0.00 C ATOM 814 SG CYS A 73 6.458 -2.799 5.887 1.00 0.00 S ATOM 0 H CYS A 73 8.621 -4.987 4.554 1.00 0.00 H new ATOM 0 HA CYS A 73 9.260 -2.887 6.374 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.201 -5.069 6.052 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.303 -4.247 7.596 1.00 0.00 H new ATOM 819 N PRO A 74 9.918 -3.993 8.662 1.00 0.00 N ATOM 820 CA PRO A 74 10.711 -4.508 9.786 1.00 0.00 C ATOM 821 C PRO A 74 10.092 -5.724 10.508 1.00 0.00 C ATOM 822 O PRO A 74 10.805 -6.425 11.234 1.00 0.00 O ATOM 823 CB PRO A 74 10.866 -3.315 10.738 1.00 0.00 C ATOM 824 CG PRO A 74 9.606 -2.491 10.484 1.00 0.00 C ATOM 825 CD PRO A 74 9.380 -2.678 8.985 1.00 0.00 C ATOM 0 HA PRO A 74 11.662 -4.894 9.420 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.933 -3.637 11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 74 11.769 -2.744 10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.761 -2.853 11.069 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.749 -1.442 10.744 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.320 -2.618 8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.884 -1.898 8.414 1.00 0.00 H new ATOM 833 N GLY A 75 8.794 -5.995 10.312 1.00 0.00 N ATOM 834 CA GLY A 75 8.044 -7.119 10.902 1.00 0.00 C ATOM 835 C GLY A 75 6.572 -6.784 11.143 1.00 0.00 C ATOM 836 O GLY A 75 6.214 -6.481 12.301 1.00 0.00 O ATOM 837 OXT GLY A 75 5.792 -6.830 10.166 1.00 0.00 O ATOM 0 H GLY A 75 8.210 -5.413 9.712 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.112 -7.983 10.241 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.507 -7.403 11.847 1.00 0.00 H new TER 841 GLY A 75