USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=11 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 48 MET CE :methyl 169:sc= -0.233 (180deg=-0.409) USER MOD Set 1.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 55 TYR OH : rot -16:sc= 0.0474 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 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=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 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -11.787 1.151 19.273 1.00 0.00 N ATOM 2 CA GLY A 19 -11.107 1.491 20.541 1.00 0.00 C ATOM 3 C GLY A 19 -9.701 0.919 20.579 1.00 0.00 C ATOM 4 O GLY A 19 -9.523 -0.265 20.864 1.00 0.00 O ATOM 0 HA2 GLY A 19 -11.065 2.574 20.656 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.683 1.104 21.381 1.00 0.00 H new ATOM 10 N ASP A 20 -8.691 1.743 20.286 1.00 0.00 N ATOM 11 CA ASP A 20 -7.257 1.401 20.337 1.00 0.00 C ATOM 12 C ASP A 20 -6.424 2.626 20.784 1.00 0.00 C ATOM 13 O ASP A 20 -6.918 3.761 20.792 1.00 0.00 O ATOM 14 CB ASP A 20 -6.825 0.873 18.950 1.00 0.00 C ATOM 15 CG ASP A 20 -5.553 -0.002 18.940 1.00 0.00 C ATOM 16 OD1 ASP A 20 -4.746 0.045 19.899 1.00 0.00 O ATOM 17 OD2 ASP A 20 -5.369 -0.762 17.959 1.00 0.00 O ATOM 0 H ASP A 20 -8.851 2.707 19.994 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.080 0.619 21.075 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.647 0.294 18.529 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.664 1.725 18.290 1.00 0.00 H new ATOM 22 N LYS A 21 -5.169 2.394 21.184 1.00 0.00 N ATOM 23 CA LYS A 21 -4.158 3.386 21.592 1.00 0.00 C ATOM 24 C LYS A 21 -2.774 3.151 20.959 1.00 0.00 C ATOM 25 O LYS A 21 -1.914 4.028 21.062 1.00 0.00 O ATOM 26 CB LYS A 21 -4.020 3.411 23.131 1.00 0.00 C ATOM 27 CG LYS A 21 -5.203 4.036 23.896 1.00 0.00 C ATOM 28 CD LYS A 21 -6.297 3.032 24.301 1.00 0.00 C ATOM 29 CE LYS A 21 -7.369 3.670 25.198 1.00 0.00 C ATOM 30 NZ LYS A 21 -8.147 4.727 24.495 1.00 0.00 N ATOM 0 H LYS A 21 -4.804 1.443 21.236 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.517 4.348 21.226 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.883 2.388 23.482 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.114 3.960 23.388 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.823 4.523 24.794 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.651 4.813 23.277 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.769 2.630 23.404 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.841 2.192 24.825 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.051 2.896 25.551 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.892 4.100 26.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.856 5.125 25.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.503 5.481 24.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.626 4.314 23.669 1.00 0.00 H new ATOM 44 N GLU A 22 -2.530 1.996 20.329 1.00 0.00 N ATOM 45 CA GLU A 22 -1.211 1.584 19.822 1.00 0.00 C ATOM 46 C GLU A 22 -1.303 0.988 18.403 1.00 0.00 C ATOM 47 O GLU A 22 -1.215 -0.225 18.197 1.00 0.00 O ATOM 48 CB GLU A 22 -0.521 0.622 20.811 1.00 0.00 C ATOM 49 CG GLU A 22 -0.171 1.278 22.154 1.00 0.00 C ATOM 50 CD GLU A 22 0.641 0.316 23.043 1.00 0.00 C ATOM 51 OE1 GLU A 22 0.035 -0.455 23.828 1.00 0.00 O ATOM 52 OE2 GLU A 22 1.896 0.328 22.975 1.00 0.00 O ATOM 0 H GLU A 22 -3.259 1.305 20.152 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.590 2.476 19.742 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.174 -0.232 20.991 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.391 0.236 20.355 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.402 2.189 21.980 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.086 1.571 22.669 1.00 0.00 H new ATOM 59 N GLU A 23 -1.454 1.861 17.405 1.00 0.00 N ATOM 60 CA GLU A 23 -1.488 1.545 15.969 1.00 0.00 C ATOM 61 C GLU A 23 -0.411 2.308 15.169 1.00 0.00 C ATOM 62 O GLU A 23 0.190 3.271 15.654 1.00 0.00 O ATOM 63 CB GLU A 23 -2.903 1.790 15.404 1.00 0.00 C ATOM 64 CG GLU A 23 -3.373 3.255 15.361 1.00 0.00 C ATOM 65 CD GLU A 23 -3.710 3.826 16.754 1.00 0.00 C ATOM 66 OE1 GLU A 23 -4.875 3.695 17.200 1.00 0.00 O ATOM 67 OE2 GLU A 23 -2.816 4.423 17.404 1.00 0.00 O ATOM 0 H GLU A 23 -1.562 2.860 17.582 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.249 0.487 15.857 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.942 1.388 14.392 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.614 1.219 16.001 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.595 3.866 14.903 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.253 3.329 14.722 1.00 0.00 H new ATOM 74 N CYS A 24 -0.164 1.887 13.923 1.00 0.00 N ATOM 75 CA CYS A 24 0.750 2.574 13.006 1.00 0.00 C ATOM 76 C CYS A 24 0.123 3.865 12.448 1.00 0.00 C ATOM 77 O CYS A 24 -1.006 3.847 11.945 1.00 0.00 O ATOM 78 CB CYS A 24 1.117 1.628 11.858 1.00 0.00 C ATOM 79 SG CYS A 24 2.461 2.245 10.811 1.00 0.00 S ATOM 0 H CYS A 24 -0.596 1.055 13.521 1.00 0.00 H new ATOM 0 HA CYS A 24 1.647 2.855 13.557 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.405 0.662 12.272 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.235 1.460 11.241 1.00 0.00 H new ATOM 84 N THR A 25 0.864 4.975 12.492 1.00 0.00 N ATOM 85 CA THR A 25 0.492 6.274 11.895 1.00 0.00 C ATOM 86 C THR A 25 1.692 6.955 11.220 1.00 0.00 C ATOM 87 O THR A 25 2.852 6.650 11.512 1.00 0.00 O ATOM 88 CB THR A 25 -0.125 7.231 12.938 1.00 0.00 C ATOM 89 OG1 THR A 25 0.770 7.465 14.008 1.00 0.00 O ATOM 90 CG2 THR A 25 -1.435 6.710 13.533 1.00 0.00 C ATOM 0 H THR A 25 1.771 5.002 12.958 1.00 0.00 H new ATOM 0 HA THR A 25 -0.259 6.056 11.136 1.00 0.00 H new ATOM 0 HB THR A 25 -0.329 8.153 12.393 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.356 8.075 14.653 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.816 7.429 14.258 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.167 6.574 12.737 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.256 5.755 14.028 1.00 0.00 H new ATOM 98 N VAL A 26 1.407 7.901 10.319 1.00 0.00 N ATOM 99 CA VAL A 26 2.365 8.788 9.626 1.00 0.00 C ATOM 100 C VAL A 26 1.787 10.212 9.529 1.00 0.00 C ATOM 101 O VAL A 26 0.561 10.368 9.594 1.00 0.00 O ATOM 102 CB VAL A 26 2.721 8.258 8.214 1.00 0.00 C ATOM 103 CG1 VAL A 26 3.603 7.008 8.287 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.500 7.946 7.338 1.00 0.00 C ATOM 0 H VAL A 26 0.445 8.084 10.032 1.00 0.00 H new ATOM 0 HA VAL A 26 3.284 8.808 10.211 1.00 0.00 H new ATOM 0 HB VAL A 26 3.265 9.078 7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.832 6.665 7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.530 7.247 8.808 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.075 6.221 8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.833 7.580 6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.890 7.184 7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.909 8.852 7.202 1.00 0.00 H new ATOM 114 N PRO A 27 2.615 11.264 9.365 1.00 0.00 N ATOM 115 CA PRO A 27 2.120 12.629 9.176 1.00 0.00 C ATOM 116 C PRO A 27 1.439 12.815 7.809 1.00 0.00 C ATOM 117 O PRO A 27 1.658 12.044 6.869 1.00 0.00 O ATOM 118 CB PRO A 27 3.354 13.528 9.326 1.00 0.00 C ATOM 119 CG PRO A 27 4.502 12.627 8.874 1.00 0.00 C ATOM 120 CD PRO A 27 4.074 11.252 9.383 1.00 0.00 C ATOM 0 HA PRO A 27 1.349 12.877 9.905 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.277 14.423 8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.486 13.862 10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.622 12.638 7.791 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.454 12.939 9.303 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.467 10.459 8.747 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.452 11.071 10.389 1.00 0.00 H new ATOM 128 N ILE A 28 0.635 13.876 7.678 1.00 0.00 N ATOM 129 CA ILE A 28 0.069 14.309 6.391 1.00 0.00 C ATOM 130 C ILE A 28 1.189 14.722 5.416 1.00 0.00 C ATOM 131 O ILE A 28 2.228 15.249 5.824 1.00 0.00 O ATOM 132 CB ILE A 28 -0.988 15.419 6.619 1.00 0.00 C ATOM 133 CG1 ILE A 28 -1.842 15.740 5.373 1.00 0.00 C ATOM 134 CG2 ILE A 28 -0.361 16.727 7.133 1.00 0.00 C ATOM 135 CD1 ILE A 28 -2.693 14.561 4.881 1.00 0.00 C ATOM 0 H ILE A 28 0.356 14.463 8.464 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.450 13.474 5.920 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.646 15.000 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.499 16.579 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.183 16.061 4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.142 17.473 7.277 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.142 16.541 8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.362 17.095 6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.264 14.865 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.042 13.727 4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.378 14.253 5.670 1.00 0.00 H new ATOM 147 N GLY A 29 0.990 14.475 4.118 1.00 0.00 N ATOM 148 CA GLY A 29 1.970 14.801 3.073 1.00 0.00 C ATOM 149 C GLY A 29 3.161 13.833 2.973 1.00 0.00 C ATOM 150 O GLY A 29 4.169 14.177 2.349 1.00 0.00 O ATOM 0 H GLY A 29 0.140 14.041 3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.458 14.824 2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.352 15.805 3.255 1.00 0.00 H new ATOM 154 N TRP A 30 3.076 12.637 3.575 1.00 0.00 N ATOM 155 CA TRP A 30 4.045 11.547 3.395 1.00 0.00 C ATOM 156 C TRP A 30 4.108 11.074 1.925 1.00 0.00 C ATOM 157 O TRP A 30 3.221 11.380 1.123 1.00 0.00 O ATOM 158 CB TRP A 30 3.666 10.404 4.354 1.00 0.00 C ATOM 159 CG TRP A 30 4.665 9.293 4.458 1.00 0.00 C ATOM 160 CD1 TRP A 30 4.651 8.156 3.730 1.00 0.00 C ATOM 161 CD2 TRP A 30 5.853 9.214 5.303 1.00 0.00 C ATOM 162 NE1 TRP A 30 5.764 7.395 4.037 1.00 0.00 N ATOM 163 CE2 TRP A 30 6.543 8.005 4.998 1.00 0.00 C ATOM 164 CE3 TRP A 30 6.425 10.055 6.281 1.00 0.00 C ATOM 165 CZ2 TRP A 30 7.753 7.656 5.619 1.00 0.00 C ATOM 166 CZ3 TRP A 30 7.634 9.711 6.918 1.00 0.00 C ATOM 167 CH2 TRP A 30 8.299 8.516 6.588 1.00 0.00 C ATOM 0 H TRP A 30 2.317 12.397 4.213 1.00 0.00 H new ATOM 0 HA TRP A 30 5.047 11.903 3.633 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.510 10.823 5.348 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.713 9.984 4.032 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.887 7.883 3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.981 6.496 3.607 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.928 10.977 6.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 8.258 6.738 5.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.053 10.369 7.665 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.227 8.260 7.078 1.00 0.00 H new ATOM 178 N SER A 31 5.141 10.310 1.554 1.00 0.00 N ATOM 179 CA SER A 31 5.272 9.684 0.229 1.00 0.00 C ATOM 180 C SER A 31 4.287 8.514 0.057 1.00 0.00 C ATOM 181 O SER A 31 4.558 7.383 0.468 1.00 0.00 O ATOM 182 CB SER A 31 6.722 9.238 0.001 1.00 0.00 C ATOM 183 OG SER A 31 6.911 8.850 -1.351 1.00 0.00 O ATOM 0 H SER A 31 5.924 10.104 2.175 1.00 0.00 H new ATOM 0 HA SER A 31 5.016 10.424 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.403 10.051 0.252 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.962 8.405 0.662 1.00 0.00 H new ATOM 0 HG SER A 31 7.840 8.569 -1.484 1.00 0.00 H new ATOM 189 N GLU A 32 3.113 8.785 -0.520 1.00 0.00 N ATOM 190 CA GLU A 32 2.064 7.798 -0.831 1.00 0.00 C ATOM 191 C GLU A 32 2.026 7.413 -2.330 1.00 0.00 C ATOM 192 O GLU A 32 2.488 8.183 -3.181 1.00 0.00 O ATOM 193 CB GLU A 32 0.683 8.279 -0.324 1.00 0.00 C ATOM 194 CG GLU A 32 0.358 9.782 -0.389 1.00 0.00 C ATOM 195 CD GLU A 32 0.471 10.397 -1.799 1.00 0.00 C ATOM 196 OE1 GLU A 32 -0.485 10.261 -2.600 1.00 0.00 O ATOM 197 OE2 GLU A 32 1.487 11.076 -2.089 1.00 0.00 O ATOM 0 H GLU A 32 2.853 9.732 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 32 2.320 6.884 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.081 7.750 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.583 7.963 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.655 9.939 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.030 10.316 0.282 1.00 0.00 H new ATOM 204 N PRO A 33 1.485 6.229 -2.689 1.00 0.00 N ATOM 205 CA PRO A 33 1.330 5.815 -4.087 1.00 0.00 C ATOM 206 C PRO A 33 0.215 6.593 -4.811 1.00 0.00 C ATOM 207 O PRO A 33 -0.763 7.028 -4.197 1.00 0.00 O ATOM 208 CB PRO A 33 1.019 4.318 -4.018 1.00 0.00 C ATOM 209 CG PRO A 33 0.306 4.159 -2.676 1.00 0.00 C ATOM 210 CD PRO A 33 1.032 5.171 -1.790 1.00 0.00 C ATOM 0 HA PRO A 33 2.230 6.024 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.387 4.002 -4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.928 3.718 -4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.759 4.379 -2.754 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.394 3.144 -2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.367 5.567 -1.022 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.874 4.708 -1.275 1.00 0.00 H new ATOM 218 N VAL A 34 0.334 6.737 -6.138 1.00 0.00 N ATOM 219 CA VAL A 34 -0.670 7.410 -6.986 1.00 0.00 C ATOM 220 C VAL A 34 -1.833 6.478 -7.346 1.00 0.00 C ATOM 221 O VAL A 34 -1.631 5.356 -7.816 1.00 0.00 O ATOM 222 CB VAL A 34 -0.027 8.043 -8.235 1.00 0.00 C ATOM 223 CG1 VAL A 34 0.492 7.032 -9.263 1.00 0.00 C ATOM 224 CG2 VAL A 34 -0.987 9.009 -8.938 1.00 0.00 C ATOM 0 H VAL A 34 1.136 6.387 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.093 8.225 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 34 0.836 8.582 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.928 7.564 -10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.251 6.401 -8.801 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.333 6.411 -9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.498 9.435 -9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.882 8.470 -9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.265 9.809 -8.252 1.00 0.00 H new ATOM 234 N LYS A 35 -3.064 6.943 -7.113 1.00 0.00 N ATOM 235 CA LYS A 35 -4.299 6.226 -7.475 1.00 0.00 C ATOM 236 C LYS A 35 -4.504 6.234 -8.997 1.00 0.00 C ATOM 237 O LYS A 35 -4.287 7.257 -9.648 1.00 0.00 O ATOM 238 CB LYS A 35 -5.491 6.861 -6.734 1.00 0.00 C ATOM 239 CG LYS A 35 -6.687 5.896 -6.670 1.00 0.00 C ATOM 240 CD LYS A 35 -7.989 6.530 -6.165 1.00 0.00 C ATOM 241 CE LYS A 35 -7.886 6.945 -4.690 1.00 0.00 C ATOM 242 NZ LYS A 35 -9.143 7.576 -4.209 1.00 0.00 N ATOM 0 H LYS A 35 -3.237 7.841 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.219 5.183 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.189 7.137 -5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.789 7.780 -7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.860 5.485 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.429 5.060 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.228 7.403 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.809 5.823 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.661 6.070 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.057 7.642 -4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.037 7.843 -3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.344 8.425 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.929 6.902 -4.305 1.00 0.00 H new ATOM 256 N GLY A 36 -4.971 5.121 -9.565 1.00 0.00 N ATOM 257 CA GLY A 36 -5.253 4.991 -11.005 1.00 0.00 C ATOM 258 C GLY A 36 -6.570 5.631 -11.483 1.00 0.00 C ATOM 259 O GLY A 36 -6.790 5.731 -12.689 1.00 0.00 O ATOM 0 H GLY A 36 -5.168 4.271 -9.036 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.429 5.439 -11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.271 3.931 -11.260 1.00 0.00 H new ATOM 263 N LEU A 37 -7.435 6.085 -10.559 1.00 0.00 N ATOM 264 CA LEU A 37 -8.719 6.782 -10.800 1.00 0.00 C ATOM 265 C LEU A 37 -9.778 5.958 -11.581 1.00 0.00 C ATOM 266 O LEU A 37 -10.740 6.514 -12.117 1.00 0.00 O ATOM 267 CB LEU A 37 -8.471 8.167 -11.447 1.00 0.00 C ATOM 268 CG LEU A 37 -7.404 9.061 -10.785 1.00 0.00 C ATOM 269 CD1 LEU A 37 -7.291 10.371 -11.564 1.00 0.00 C ATOM 270 CD2 LEU A 37 -7.740 9.398 -9.333 1.00 0.00 C ATOM 0 H LEU A 37 -7.249 5.970 -9.563 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.167 6.921 -9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.185 8.010 -12.487 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.415 8.713 -11.454 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.467 8.505 -10.797 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.537 11.007 -11.099 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.002 10.158 -12.593 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.253 10.883 -11.556 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.956 10.029 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.692 9.927 -9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.812 8.478 -8.753 1.00 0.00 H new ATOM 282 N CYS A 38 -9.599 4.639 -11.666 1.00 0.00 N ATOM 283 CA CYS A 38 -10.419 3.723 -12.478 1.00 0.00 C ATOM 284 C CYS A 38 -11.813 3.440 -11.872 1.00 0.00 C ATOM 285 O CYS A 38 -12.082 3.743 -10.704 1.00 0.00 O ATOM 286 CB CYS A 38 -9.659 2.397 -12.653 1.00 0.00 C ATOM 287 SG CYS A 38 -7.926 2.542 -13.168 1.00 0.00 S ATOM 0 H CYS A 38 -8.857 4.158 -11.157 1.00 0.00 H new ATOM 0 HA CYS A 38 -10.591 4.212 -13.437 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.693 1.853 -11.709 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.188 1.792 -13.389 1.00 0.00 H new ATOM 292 N LYS A 39 -12.682 2.767 -12.644 1.00 0.00 N ATOM 293 CA LYS A 39 -13.983 2.228 -12.184 1.00 0.00 C ATOM 294 C LYS A 39 -13.874 1.072 -11.172 1.00 0.00 C ATOM 295 O LYS A 39 -14.836 0.801 -10.451 1.00 0.00 O ATOM 296 CB LYS A 39 -14.836 1.814 -13.402 1.00 0.00 C ATOM 297 CG LYS A 39 -14.323 0.563 -14.142 1.00 0.00 C ATOM 298 CD LYS A 39 -15.222 0.228 -15.342 1.00 0.00 C ATOM 299 CE LYS A 39 -14.749 -1.017 -16.107 1.00 0.00 C ATOM 300 NZ LYS A 39 -14.970 -2.277 -15.345 1.00 0.00 N ATOM 0 H LYS A 39 -12.500 2.575 -13.629 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.472 3.035 -11.638 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.858 1.631 -13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.873 2.647 -14.104 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.302 0.731 -14.484 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.295 -0.284 -13.456 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.242 0.069 -14.993 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.246 1.080 -16.022 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.276 -1.076 -17.059 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.688 -0.917 -16.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.634 -3.086 -15.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.446 -2.236 -14.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.985 -2.390 -15.149 1.00 0.00 H new ATOM 314 N ALA A 40 -12.723 0.397 -11.123 1.00 0.00 N ATOM 315 CA ALA A 40 -12.430 -0.765 -10.277 1.00 0.00 C ATOM 316 C ALA A 40 -11.323 -0.475 -9.246 1.00 0.00 C ATOM 317 O ALA A 40 -10.555 0.484 -9.383 1.00 0.00 O ATOM 318 CB ALA A 40 -12.043 -1.935 -11.198 1.00 0.00 C ATOM 0 H ALA A 40 -11.927 0.660 -11.704 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.316 -1.018 -9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.819 -2.815 -10.594 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.871 -2.158 -11.871 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.164 -1.663 -11.782 1.00 0.00 H new ATOM 324 N ARG A 41 -11.211 -1.345 -8.232 1.00 0.00 N ATOM 325 CA ARG A 41 -10.213 -1.272 -7.152 1.00 0.00 C ATOM 326 C ARG A 41 -9.524 -2.624 -6.906 1.00 0.00 C ATOM 327 O ARG A 41 -10.073 -3.513 -6.256 1.00 0.00 O ATOM 328 CB ARG A 41 -10.812 -0.610 -5.892 1.00 0.00 C ATOM 329 CG ARG A 41 -12.038 -1.288 -5.268 1.00 0.00 C ATOM 330 CD ARG A 41 -12.589 -0.411 -4.139 1.00 0.00 C ATOM 331 NE ARG A 41 -13.641 -1.125 -3.399 1.00 0.00 N ATOM 332 CZ ARG A 41 -14.529 -0.618 -2.561 1.00 0.00 C ATOM 333 NH1 ARG A 41 -14.577 0.656 -2.288 1.00 0.00 N ATOM 334 NH2 ARG A 41 -15.396 -1.390 -1.972 1.00 0.00 N ATOM 0 H ARG A 41 -11.834 -2.147 -8.137 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.403 -0.616 -7.470 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.031 -0.556 -5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.083 0.415 -6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.804 -1.446 -6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.766 -2.270 -4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.783 -0.133 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.991 0.514 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.691 -2.132 -3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.915 1.297 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.276 1.012 -1.636 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.393 -2.393 -2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.078 -0.992 -1.327 1.00 0.00 H new ATOM 348 N PHE A 42 -8.316 -2.775 -7.453 1.00 0.00 N ATOM 349 CA PHE A 42 -7.373 -3.848 -7.100 1.00 0.00 C ATOM 350 C PHE A 42 -6.918 -3.721 -5.633 1.00 0.00 C ATOM 351 O PHE A 42 -7.234 -2.735 -4.968 1.00 0.00 O ATOM 352 CB PHE A 42 -6.146 -3.791 -8.033 1.00 0.00 C ATOM 353 CG PHE A 42 -6.424 -3.587 -9.513 1.00 0.00 C ATOM 354 CD1 PHE A 42 -7.503 -4.234 -10.149 1.00 0.00 C ATOM 355 CD2 PHE A 42 -5.597 -2.722 -10.253 1.00 0.00 C ATOM 356 CE1 PHE A 42 -7.773 -3.983 -11.506 1.00 0.00 C ATOM 357 CE2 PHE A 42 -5.864 -2.476 -11.611 1.00 0.00 C ATOM 358 CZ PHE A 42 -6.958 -3.100 -12.235 1.00 0.00 C ATOM 0 H PHE A 42 -7.955 -2.144 -8.169 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.880 -4.805 -7.221 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.498 -2.983 -7.694 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.586 -4.719 -7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.123 -4.923 -9.594 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.754 -2.245 -9.776 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.608 -4.469 -11.989 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.229 -1.808 -12.174 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.172 -2.901 -13.275 1.00 0.00 H new ATOM 368 N THR A 43 -6.112 -4.669 -5.151 1.00 0.00 N ATOM 369 CA THR A 43 -5.554 -4.675 -3.786 1.00 0.00 C ATOM 370 C THR A 43 -4.028 -4.759 -3.848 1.00 0.00 C ATOM 371 O THR A 43 -3.481 -5.773 -4.286 1.00 0.00 O ATOM 372 CB THR A 43 -6.140 -5.829 -2.951 1.00 0.00 C ATOM 373 OG1 THR A 43 -7.554 -5.820 -3.018 1.00 0.00 O ATOM 374 CG2 THR A 43 -5.777 -5.705 -1.471 1.00 0.00 C ATOM 0 H THR A 43 -5.819 -5.473 -5.706 1.00 0.00 H new ATOM 0 HA THR A 43 -5.832 -3.744 -3.292 1.00 0.00 H new ATOM 0 HB THR A 43 -5.722 -6.746 -3.366 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.912 -6.560 -2.484 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.210 -6.539 -0.919 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.693 -5.720 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.169 -4.767 -1.078 1.00 0.00 H new ATOM 382 N ARG A 44 -3.334 -3.689 -3.440 1.00 0.00 N ATOM 383 CA ARG A 44 -1.863 -3.598 -3.328 1.00 0.00 C ATOM 384 C ARG A 44 -1.445 -3.303 -1.891 1.00 0.00 C ATOM 385 O ARG A 44 -2.271 -2.895 -1.075 1.00 0.00 O ATOM 386 CB ARG A 44 -1.322 -2.504 -4.262 1.00 0.00 C ATOM 387 CG ARG A 44 -1.460 -2.832 -5.749 1.00 0.00 C ATOM 388 CD ARG A 44 -0.879 -4.214 -6.080 1.00 0.00 C ATOM 389 NE ARG A 44 -0.290 -4.243 -7.418 1.00 0.00 N ATOM 390 CZ ARG A 44 -0.825 -4.670 -8.548 1.00 0.00 C ATOM 391 NH1 ARG A 44 -2.055 -5.097 -8.619 1.00 0.00 N ATOM 392 NH2 ARG A 44 -0.128 -4.681 -9.644 1.00 0.00 N ATOM 0 H ARG A 44 -3.797 -2.823 -3.166 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.442 -4.559 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.848 -1.572 -4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.270 -2.334 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.512 -2.802 -6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.949 -2.071 -6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.121 -4.477 -5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.665 -4.966 -6.011 1.00 0.00 H new ATOM 0 HE ARG A 44 0.663 -3.885 -7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.640 -5.109 -7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.432 -5.419 -9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.840 -4.358 -9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.548 -5.012 -10.512 1.00 0.00 H new ATOM 406 N TYR A 45 -0.161 -3.464 -1.589 1.00 0.00 N ATOM 407 CA TYR A 45 0.406 -3.253 -0.259 1.00 0.00 C ATOM 408 C TYR A 45 1.705 -2.440 -0.343 1.00 0.00 C ATOM 409 O TYR A 45 2.536 -2.655 -1.226 1.00 0.00 O ATOM 410 CB TYR A 45 0.608 -4.615 0.416 1.00 0.00 C ATOM 411 CG TYR A 45 -0.678 -5.374 0.698 1.00 0.00 C ATOM 412 CD1 TYR A 45 -1.239 -6.203 -0.295 1.00 0.00 C ATOM 413 CD2 TYR A 45 -1.321 -5.250 1.947 1.00 0.00 C ATOM 414 CE1 TYR A 45 -2.423 -6.921 -0.041 1.00 0.00 C ATOM 415 CE2 TYR A 45 -2.496 -5.980 2.210 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.052 -6.816 1.219 1.00 0.00 C ATOM 417 OH TYR A 45 -4.186 -7.519 1.488 1.00 0.00 O ATOM 0 H TYR A 45 0.533 -3.752 -2.279 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.281 -2.668 0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.247 -5.230 -0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.141 -4.466 1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.757 -6.288 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.912 -4.595 2.702 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.849 -7.551 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.974 -5.899 3.175 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.481 -7.327 2.403 1.00 0.00 H new ATOM 427 N TYR A 46 1.875 -1.486 0.572 1.00 0.00 N ATOM 428 CA TYR A 46 2.979 -0.524 0.583 1.00 0.00 C ATOM 429 C TYR A 46 3.445 -0.260 2.023 1.00 0.00 C ATOM 430 O TYR A 46 2.642 0.084 2.894 1.00 0.00 O ATOM 431 CB TYR A 46 2.523 0.799 -0.062 1.00 0.00 C ATOM 432 CG TYR A 46 2.240 0.762 -1.557 1.00 0.00 C ATOM 433 CD1 TYR A 46 0.976 0.360 -2.037 1.00 0.00 C ATOM 434 CD2 TYR A 46 3.224 1.196 -2.468 1.00 0.00 C ATOM 435 CE1 TYR A 46 0.685 0.413 -3.415 1.00 0.00 C ATOM 436 CE2 TYR A 46 2.940 1.250 -3.845 1.00 0.00 C ATOM 437 CZ TYR A 46 1.667 0.871 -4.321 1.00 0.00 C ATOM 438 OH TYR A 46 1.388 0.965 -5.648 1.00 0.00 O ATOM 0 H TYR A 46 1.229 -1.357 1.350 1.00 0.00 H new ATOM 0 HA TYR A 46 3.810 -0.940 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.620 1.134 0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.291 1.551 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.226 0.009 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.199 1.488 -2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.285 0.105 -3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.698 1.582 -4.539 1.00 0.00 H new ATOM 0 HH TYR A 46 2.176 1.298 -6.125 1.00 0.00 H new ATOM 448 N CYS A 47 4.743 -0.414 2.296 1.00 0.00 N ATOM 449 CA CYS A 47 5.323 -0.067 3.588 1.00 0.00 C ATOM 450 C CYS A 47 5.538 1.448 3.734 1.00 0.00 C ATOM 451 O CYS A 47 6.157 2.083 2.878 1.00 0.00 O ATOM 452 CB CYS A 47 6.616 -0.855 3.790 1.00 0.00 C ATOM 453 SG CYS A 47 6.341 -2.635 3.904 1.00 0.00 S ATOM 0 H CYS A 47 5.418 -0.783 1.626 1.00 0.00 H new ATOM 0 HA CYS A 47 4.621 -0.344 4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 47 7.294 -0.649 2.962 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.108 -0.509 4.699 1.00 0.00 H new ATOM 458 N MET A 48 5.038 2.020 4.835 1.00 0.00 N ATOM 459 CA MET A 48 5.106 3.463 5.137 1.00 0.00 C ATOM 460 C MET A 48 6.186 3.820 6.181 1.00 0.00 C ATOM 461 O MET A 48 6.294 4.975 6.591 1.00 0.00 O ATOM 462 CB MET A 48 3.717 3.985 5.544 1.00 0.00 C ATOM 463 CG MET A 48 2.651 3.673 4.485 1.00 0.00 C ATOM 464 SD MET A 48 1.132 4.647 4.648 1.00 0.00 S ATOM 465 CE MET A 48 1.620 6.155 3.764 1.00 0.00 C ATOM 0 H MET A 48 4.563 1.484 5.561 1.00 0.00 H new ATOM 0 HA MET A 48 5.416 3.969 4.223 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.426 3.537 6.494 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.767 5.062 5.701 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.076 3.847 3.496 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.398 2.614 4.542 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.743 6.781 3.600 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.351 6.704 4.357 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.060 5.887 2.803 1.00 0.00 H new ATOM 475 N GLY A 49 6.999 2.846 6.605 1.00 0.00 N ATOM 476 CA GLY A 49 8.146 3.023 7.507 1.00 0.00 C ATOM 477 C GLY A 49 8.386 1.789 8.376 1.00 0.00 C ATOM 478 O GLY A 49 9.301 1.006 8.116 1.00 0.00 O ATOM 0 H GLY A 49 6.872 1.875 6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.040 3.233 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.974 3.889 8.146 1.00 0.00 H new ATOM 482 N ASN A 50 7.532 1.599 9.386 1.00 0.00 N ATOM 483 CA ASN A 50 7.569 0.483 10.343 1.00 0.00 C ATOM 484 C ASN A 50 6.278 -0.370 10.333 1.00 0.00 C ATOM 485 O ASN A 50 6.062 -1.183 11.232 1.00 0.00 O ATOM 486 CB ASN A 50 7.921 1.031 11.740 1.00 0.00 C ATOM 487 CG ASN A 50 9.333 1.593 11.803 1.00 0.00 C ATOM 488 OD1 ASN A 50 10.317 0.868 11.772 1.00 0.00 O ATOM 489 ND2 ASN A 50 9.489 2.895 11.902 1.00 0.00 N ATOM 0 H ASN A 50 6.763 2.244 9.569 1.00 0.00 H new ATOM 0 HA ASN A 50 8.349 -0.213 10.035 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.210 1.811 12.011 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.817 0.235 12.477 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.426 3.294 11.952 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.673 3.506 11.928 1.00 0.00 H new ATOM 496 N CYS A 51 5.423 -0.206 9.318 1.00 0.00 N ATOM 497 CA CYS A 51 4.275 -1.071 9.032 1.00 0.00 C ATOM 498 C CYS A 51 3.992 -1.156 7.521 1.00 0.00 C ATOM 499 O CYS A 51 4.530 -0.371 6.735 1.00 0.00 O ATOM 500 CB CYS A 51 3.054 -0.544 9.797 1.00 0.00 C ATOM 501 SG CYS A 51 2.375 1.025 9.189 1.00 0.00 S ATOM 0 H CYS A 51 5.515 0.559 8.650 1.00 0.00 H new ATOM 0 HA CYS A 51 4.501 -2.084 9.364 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.269 -1.299 9.760 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.328 -0.420 10.845 1.00 0.00 H new ATOM 506 N CYS A 52 3.113 -2.082 7.126 1.00 0.00 N ATOM 507 CA CYS A 52 2.667 -2.323 5.752 1.00 0.00 C ATOM 508 C CYS A 52 1.157 -2.057 5.615 1.00 0.00 C ATOM 509 O CYS A 52 0.337 -2.772 6.196 1.00 0.00 O ATOM 510 CB CYS A 52 3.058 -3.749 5.346 1.00 0.00 C ATOM 511 SG CYS A 52 2.521 -4.215 3.682 1.00 0.00 S ATOM 0 H CYS A 52 2.671 -2.716 7.791 1.00 0.00 H new ATOM 0 HA CYS A 52 3.159 -1.631 5.069 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.142 -3.849 5.408 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.632 -4.450 6.064 1.00 0.00 H new ATOM 516 N LYS A 53 0.795 -1.002 4.875 1.00 0.00 N ATOM 517 CA LYS A 53 -0.585 -0.541 4.654 1.00 0.00 C ATOM 518 C LYS A 53 -1.128 -1.060 3.315 1.00 0.00 C ATOM 519 O LYS A 53 -0.426 -1.036 2.303 1.00 0.00 O ATOM 520 CB LYS A 53 -0.592 0.998 4.722 1.00 0.00 C ATOM 521 CG LYS A 53 -2.013 1.578 4.677 1.00 0.00 C ATOM 522 CD LYS A 53 -2.003 3.107 4.757 1.00 0.00 C ATOM 523 CE LYS A 53 -3.427 3.657 4.629 1.00 0.00 C ATOM 524 NZ LYS A 53 -3.431 5.143 4.637 1.00 0.00 N ATOM 0 H LYS A 53 1.482 -0.421 4.394 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.245 -0.937 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.099 1.321 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.012 1.399 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.505 1.265 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.597 1.174 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.567 3.425 5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.376 3.515 3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.878 3.294 3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.039 3.284 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.408 5.488 4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.022 5.486 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.866 5.496 3.838 1.00 0.00 H new ATOM 538 N VAL A 54 -2.380 -1.522 3.301 1.00 0.00 N ATOM 539 CA VAL A 54 -3.106 -1.889 2.071 1.00 0.00 C ATOM 540 C VAL A 54 -3.639 -0.644 1.339 1.00 0.00 C ATOM 541 O VAL A 54 -4.009 0.350 1.967 1.00 0.00 O ATOM 542 CB VAL A 54 -4.220 -2.907 2.392 1.00 0.00 C ATOM 543 CG1 VAL A 54 -5.398 -2.321 3.168 1.00 0.00 C ATOM 544 CG2 VAL A 54 -4.756 -3.596 1.137 1.00 0.00 C ATOM 0 H VAL A 54 -2.929 -1.655 4.150 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.409 -2.370 1.385 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.727 -3.637 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.136 -3.101 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.045 -1.923 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.855 -1.520 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.538 -4.303 1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.168 -2.848 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.945 -4.129 0.640 1.00 0.00 H new ATOM 554 N TYR A 55 -3.683 -0.702 0.009 1.00 0.00 N ATOM 555 CA TYR A 55 -4.130 0.359 -0.897 1.00 0.00 C ATOM 556 C TYR A 55 -5.049 -0.214 -1.987 1.00 0.00 C ATOM 557 O TYR A 55 -4.674 -1.147 -2.702 1.00 0.00 O ATOM 558 CB TYR A 55 -2.906 1.064 -1.505 1.00 0.00 C ATOM 559 CG TYR A 55 -2.348 2.187 -0.646 1.00 0.00 C ATOM 560 CD1 TYR A 55 -1.358 1.939 0.326 1.00 0.00 C ATOM 561 CD2 TYR A 55 -2.843 3.494 -0.821 1.00 0.00 C ATOM 562 CE1 TYR A 55 -0.859 2.998 1.111 1.00 0.00 C ATOM 563 CE2 TYR A 55 -2.354 4.553 -0.035 1.00 0.00 C ATOM 564 CZ TYR A 55 -1.362 4.306 0.937 1.00 0.00 C ATOM 565 OH TYR A 55 -0.900 5.326 1.710 1.00 0.00 O ATOM 0 H TYR A 55 -3.391 -1.539 -0.496 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.709 1.094 -0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.122 0.326 -1.674 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.179 1.468 -2.480 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.982 0.937 0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.603 3.684 -1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.091 2.809 1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.737 5.553 -0.175 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.430 4.960 2.488 1.00 0.00 H new ATOM 575 N GLU A 56 -6.257 0.346 -2.113 1.00 0.00 N ATOM 576 CA GLU A 56 -7.319 -0.122 -3.016 1.00 0.00 C ATOM 577 C GLU A 56 -7.844 1.021 -3.906 1.00 0.00 C ATOM 578 O GLU A 56 -8.453 1.972 -3.412 1.00 0.00 O ATOM 579 CB GLU A 56 -8.468 -0.808 -2.244 1.00 0.00 C ATOM 580 CG GLU A 56 -8.037 -1.874 -1.216 1.00 0.00 C ATOM 581 CD GLU A 56 -8.140 -1.350 0.232 1.00 0.00 C ATOM 582 OE1 GLU A 56 -7.448 -0.368 0.589 1.00 0.00 O ATOM 583 OE2 GLU A 56 -8.936 -1.917 1.024 1.00 0.00 O ATOM 0 H GLU A 56 -6.533 1.165 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.877 -0.874 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.042 -0.040 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.138 -1.275 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.663 -2.760 -1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.011 -2.181 -1.419 1.00 0.00 H new ATOM 590 N GLY A 57 -7.561 0.966 -5.215 1.00 0.00 N ATOM 591 CA GLY A 57 -7.784 2.096 -6.140 1.00 0.00 C ATOM 592 C GLY A 57 -6.969 2.028 -7.436 1.00 0.00 C ATOM 593 O GLY A 57 -6.277 2.977 -7.805 1.00 0.00 O ATOM 0 H GLY A 57 -7.171 0.139 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.843 2.137 -6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.544 3.025 -5.623 1.00 0.00 H new ATOM 597 N CYS A 58 -7.052 0.894 -8.139 1.00 0.00 N ATOM 598 CA CYS A 58 -6.417 0.644 -9.445 1.00 0.00 C ATOM 599 C CYS A 58 -4.871 0.750 -9.438 1.00 0.00 C ATOM 600 O CYS A 58 -4.238 0.978 -10.470 1.00 0.00 O ATOM 601 CB CYS A 58 -7.103 1.540 -10.482 1.00 0.00 C ATOM 602 SG CYS A 58 -7.039 0.987 -12.206 1.00 0.00 S ATOM 0 H CYS A 58 -7.584 0.091 -7.804 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.568 -0.401 -9.717 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -8.150 1.649 -10.198 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.653 2.531 -10.426 1.00 0.00 H new ATOM 607 N TYR A 59 -4.255 0.591 -8.262 1.00 0.00 N ATOM 608 CA TYR A 59 -2.806 0.637 -8.043 1.00 0.00 C ATOM 609 C TYR A 59 -2.102 -0.530 -8.754 1.00 0.00 C ATOM 610 O TYR A 59 -2.481 -1.689 -8.575 1.00 0.00 O ATOM 611 CB TYR A 59 -2.518 0.599 -6.532 1.00 0.00 C ATOM 612 CG TYR A 59 -3.047 1.791 -5.755 1.00 0.00 C ATOM 613 CD1 TYR A 59 -2.317 2.994 -5.730 1.00 0.00 C ATOM 614 CD2 TYR A 59 -4.270 1.702 -5.062 1.00 0.00 C ATOM 615 CE1 TYR A 59 -2.814 4.107 -5.025 1.00 0.00 C ATOM 616 CE2 TYR A 59 -4.779 2.824 -4.375 1.00 0.00 C ATOM 617 CZ TYR A 59 -4.051 4.032 -4.358 1.00 0.00 C ATOM 618 OH TYR A 59 -4.536 5.120 -3.700 1.00 0.00 O ATOM 0 H TYR A 59 -4.774 0.420 -7.401 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.416 1.564 -8.464 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.952 -0.310 -6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.440 0.535 -6.383 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.374 3.064 -6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.820 0.772 -5.057 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.243 5.023 -4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.727 2.758 -3.862 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.400 4.899 -3.295 1.00 0.00 H new ATOM 628 N THR A 60 -1.066 -0.235 -9.546 1.00 0.00 N ATOM 629 CA THR A 60 -0.288 -1.232 -10.312 1.00 0.00 C ATOM 630 C THR A 60 1.098 -1.525 -9.718 1.00 0.00 C ATOM 631 O THR A 60 1.666 -2.589 -9.967 1.00 0.00 O ATOM 632 CB THR A 60 -0.155 -0.804 -11.786 1.00 0.00 C ATOM 633 OG1 THR A 60 0.338 0.520 -11.892 1.00 0.00 O ATOM 634 CG2 THR A 60 -1.506 -0.845 -12.506 1.00 0.00 C ATOM 0 H THR A 60 -0.733 0.720 -9.680 1.00 0.00 H new ATOM 0 HA THR A 60 -0.853 -2.162 -10.249 1.00 0.00 H new ATOM 0 HB THR A 60 0.538 -1.508 -12.246 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.414 0.766 -12.838 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.375 -0.537 -13.543 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.904 -1.859 -12.476 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.202 -0.168 -12.012 1.00 0.00 H new ATOM 642 N GLY A 61 1.634 -0.621 -8.892 1.00 0.00 N ATOM 643 CA GLY A 61 2.928 -0.740 -8.208 1.00 0.00 C ATOM 644 C GLY A 61 2.862 -1.491 -6.870 1.00 0.00 C ATOM 645 O GLY A 61 1.912 -2.234 -6.594 1.00 0.00 O ATOM 0 H GLY A 61 1.157 0.253 -8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.629 -1.253 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.328 0.259 -8.033 1.00 0.00 H new ATOM 649 N GLY A 62 3.889 -1.293 -6.037 1.00 0.00 N ATOM 650 CA GLY A 62 3.965 -1.803 -4.663 1.00 0.00 C ATOM 651 C GLY A 62 4.197 -3.313 -4.560 1.00 0.00 C ATOM 652 O GLY A 62 4.461 -4.002 -5.551 1.00 0.00 O ATOM 0 H GLY A 62 4.714 -0.758 -6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.771 -1.288 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.039 -1.554 -4.144 1.00 0.00 H new ATOM 656 N TYR A 63 4.108 -3.833 -3.336 1.00 0.00 N ATOM 657 CA TYR A 63 4.039 -5.269 -3.072 1.00 0.00 C ATOM 658 C TYR A 63 2.652 -5.809 -3.464 1.00 0.00 C ATOM 659 O TYR A 63 1.618 -5.190 -3.193 1.00 0.00 O ATOM 660 CB TYR A 63 4.332 -5.538 -1.591 1.00 0.00 C ATOM 661 CG TYR A 63 5.718 -5.117 -1.128 1.00 0.00 C ATOM 662 CD1 TYR A 63 6.827 -5.950 -1.372 1.00 0.00 C ATOM 663 CD2 TYR A 63 5.895 -3.910 -0.418 1.00 0.00 C ATOM 664 CE1 TYR A 63 8.102 -5.595 -0.888 1.00 0.00 C ATOM 665 CE2 TYR A 63 7.167 -3.553 0.071 1.00 0.00 C ATOM 666 CZ TYR A 63 8.275 -4.400 -0.158 1.00 0.00 C ATOM 667 OH TYR A 63 9.507 -4.077 0.322 1.00 0.00 O ATOM 0 H TYR A 63 4.082 -3.262 -2.491 1.00 0.00 H new ATOM 0 HA TYR A 63 4.789 -5.785 -3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.589 -5.017 -0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.208 -6.604 -1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.700 -6.865 -1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.051 -3.257 -0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.948 -6.239 -1.076 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.295 -2.632 0.621 1.00 0.00 H new ATOM 0 HH TYR A 63 9.458 -3.223 0.801 1.00 0.00 H new ATOM 677 N SER A 64 2.624 -6.981 -4.099 1.00 0.00 N ATOM 678 CA SER A 64 1.390 -7.605 -4.604 1.00 0.00 C ATOM 679 C SER A 64 0.472 -8.112 -3.485 1.00 0.00 C ATOM 680 O SER A 64 -0.751 -8.087 -3.636 1.00 0.00 O ATOM 681 CB SER A 64 1.723 -8.774 -5.542 1.00 0.00 C ATOM 682 OG SER A 64 2.529 -8.327 -6.621 1.00 0.00 O ATOM 0 H SER A 64 3.462 -7.533 -4.281 1.00 0.00 H new ATOM 0 HA SER A 64 0.856 -6.823 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.245 -9.555 -4.989 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.803 -9.215 -5.925 1.00 0.00 H new ATOM 0 HG SER A 64 2.735 -9.083 -7.210 1.00 0.00 H new ATOM 688 N ARG A 65 1.050 -8.559 -2.358 1.00 0.00 N ATOM 689 CA ARG A 65 0.355 -9.112 -1.182 1.00 0.00 C ATOM 690 C ARG A 65 0.990 -8.652 0.134 1.00 0.00 C ATOM 691 O ARG A 65 2.139 -8.208 0.160 1.00 0.00 O ATOM 692 CB ARG A 65 0.362 -10.648 -1.250 1.00 0.00 C ATOM 693 CG ARG A 65 -0.237 -11.217 -2.546 1.00 0.00 C ATOM 694 CD ARG A 65 -0.656 -12.680 -2.373 1.00 0.00 C ATOM 695 NE ARG A 65 -1.987 -12.789 -1.739 1.00 0.00 N ATOM 696 CZ ARG A 65 -2.669 -13.895 -1.501 1.00 0.00 C ATOM 697 NH1 ARG A 65 -2.182 -15.075 -1.759 1.00 0.00 N ATOM 698 NH2 ARG A 65 -3.870 -13.833 -1.000 1.00 0.00 N ATOM 0 H ARG A 65 2.063 -8.544 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.669 -8.740 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.388 -11.002 -1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.195 -11.042 -0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.101 -10.622 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.494 -11.139 -3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.673 -13.172 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.082 -13.202 -1.764 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.427 -11.914 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.247 -15.165 -2.157 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.735 -15.909 -1.563 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.289 -12.927 -0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.392 -14.690 -0.818 1.00 0.00 H new ATOM 712 N MET A 66 0.274 -8.843 1.245 1.00 0.00 N ATOM 713 CA MET A 66 0.759 -8.521 2.594 1.00 0.00 C ATOM 714 C MET A 66 1.900 -9.443 3.070 1.00 0.00 C ATOM 715 O MET A 66 2.721 -9.040 3.893 1.00 0.00 O ATOM 716 CB MET A 66 -0.416 -8.556 3.584 1.00 0.00 C ATOM 717 CG MET A 66 -0.190 -7.589 4.750 1.00 0.00 C ATOM 718 SD MET A 66 -1.624 -7.441 5.851 1.00 0.00 S ATOM 719 CE MET A 66 -1.570 -5.657 6.164 1.00 0.00 C ATOM 0 H MET A 66 -0.670 -9.230 1.235 1.00 0.00 H new ATOM 0 HA MET A 66 1.183 -7.518 2.553 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.339 -8.295 3.066 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.541 -9.569 3.968 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.670 -7.925 5.329 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.057 -6.604 4.353 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.387 -5.379 6.830 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.619 -5.398 6.629 1.00 0.00 H new ATOM 0 HE3 MET A 66 -1.671 -5.119 5.221 1.00 0.00 H new ATOM 729 N GLY A 67 2.000 -10.665 2.529 1.00 0.00 N ATOM 730 CA GLY A 67 3.112 -11.580 2.822 1.00 0.00 C ATOM 731 C GLY A 67 4.440 -11.117 2.210 1.00 0.00 C ATOM 732 O GLY A 67 5.497 -11.268 2.822 1.00 0.00 O ATOM 0 H GLY A 67 1.314 -11.046 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.227 -11.670 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.869 -12.573 2.443 1.00 0.00 H new ATOM 736 N GLU A 68 4.387 -10.517 1.018 1.00 0.00 N ATOM 737 CA GLU A 68 5.547 -10.023 0.263 1.00 0.00 C ATOM 738 C GLU A 68 6.193 -8.788 0.916 1.00 0.00 C ATOM 739 O GLU A 68 7.416 -8.744 1.053 1.00 0.00 O ATOM 740 CB GLU A 68 5.114 -9.736 -1.186 1.00 0.00 C ATOM 741 CG GLU A 68 5.195 -10.949 -2.127 1.00 0.00 C ATOM 742 CD GLU A 68 4.685 -12.274 -1.521 1.00 0.00 C ATOM 743 OE1 GLU A 68 3.454 -12.507 -1.510 1.00 0.00 O ATOM 744 OE2 GLU A 68 5.518 -13.099 -1.077 1.00 0.00 O ATOM 0 H GLU A 68 3.505 -10.355 0.533 1.00 0.00 H new ATOM 0 HA GLU A 68 6.317 -10.795 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.089 -9.365 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.739 -8.938 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.619 -10.732 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.232 -11.083 -2.436 1.00 0.00 H new ATOM 751 N CYS A 69 5.399 -7.810 1.372 1.00 0.00 N ATOM 752 CA CYS A 69 5.927 -6.661 2.123 1.00 0.00 C ATOM 753 C CYS A 69 6.577 -7.081 3.455 1.00 0.00 C ATOM 754 O CYS A 69 7.676 -6.626 3.785 1.00 0.00 O ATOM 755 CB CYS A 69 4.831 -5.605 2.312 1.00 0.00 C ATOM 756 SG CYS A 69 3.412 -6.012 3.356 1.00 0.00 S ATOM 0 H CYS A 69 4.389 -7.791 1.234 1.00 0.00 H new ATOM 0 HA CYS A 69 6.728 -6.212 1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.300 -4.711 2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.451 -5.341 1.325 1.00 0.00 H new ATOM 761 N ALA A 70 5.953 -8.002 4.197 1.00 0.00 N ATOM 762 CA ALA A 70 6.420 -8.501 5.493 1.00 0.00 C ATOM 763 C ALA A 70 7.725 -9.341 5.450 1.00 0.00 C ATOM 764 O ALA A 70 8.245 -9.719 6.503 1.00 0.00 O ATOM 765 CB ALA A 70 5.267 -9.289 6.130 1.00 0.00 C ATOM 0 H ALA A 70 5.078 -8.435 3.901 1.00 0.00 H new ATOM 0 HA ALA A 70 6.698 -7.636 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.582 -9.676 7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.407 -8.632 6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.991 -10.120 5.480 1.00 0.00 H new ATOM 771 N ARG A 71 8.292 -9.623 4.263 1.00 0.00 N ATOM 772 CA ARG A 71 9.662 -10.169 4.112 1.00 0.00 C ATOM 773 C ARG A 71 10.730 -9.158 4.540 1.00 0.00 C ATOM 774 O ARG A 71 11.706 -9.514 5.202 1.00 0.00 O ATOM 775 CB ARG A 71 9.933 -10.601 2.659 1.00 0.00 C ATOM 776 CG ARG A 71 8.929 -11.645 2.149 1.00 0.00 C ATOM 777 CD ARG A 71 9.320 -12.241 0.790 1.00 0.00 C ATOM 778 NE ARG A 71 10.438 -13.202 0.903 1.00 0.00 N ATOM 779 CZ ARG A 71 11.713 -13.035 0.597 1.00 0.00 C ATOM 780 NH1 ARG A 71 12.186 -11.912 0.133 1.00 0.00 N ATOM 781 NH2 ARG A 71 12.555 -14.015 0.760 1.00 0.00 N ATOM 0 H ARG A 71 7.814 -9.479 3.374 1.00 0.00 H new ATOM 0 HA ARG A 71 9.721 -11.039 4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.898 -9.724 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.941 -11.009 2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.846 -12.448 2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.944 -11.184 2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.456 -12.741 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.601 -11.437 0.110 1.00 0.00 H new ATOM 0 HE ARG A 71 10.191 -14.122 1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.564 -11.116 -0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.178 -11.830 -0.089 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.231 -14.911 1.124 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.539 -13.887 0.524 1.00 0.00 H new ATOM 795 N ASN A 72 10.534 -7.900 4.142 1.00 0.00 N ATOM 796 CA ASN A 72 11.397 -6.753 4.438 1.00 0.00 C ATOM 797 C ASN A 72 10.921 -6.000 5.694 1.00 0.00 C ATOM 798 O ASN A 72 11.698 -5.754 6.619 1.00 0.00 O ATOM 799 CB ASN A 72 11.414 -5.826 3.207 1.00 0.00 C ATOM 800 CG ASN A 72 12.249 -6.397 2.073 1.00 0.00 C ATOM 801 OD1 ASN A 72 13.466 -6.275 2.050 1.00 0.00 O ATOM 802 ND2 ASN A 72 11.640 -7.045 1.104 1.00 0.00 N ATOM 0 H ASN A 72 9.727 -7.639 3.575 1.00 0.00 H new ATOM 0 HA ASN A 72 12.407 -7.104 4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.393 -5.666 2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.810 -4.851 3.493 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.182 -7.443 0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.625 -7.149 1.119 1.00 0.00 H new ATOM 809 N CYS A 73 9.644 -5.618 5.710 1.00 0.00 N ATOM 810 CA CYS A 73 8.989 -4.844 6.766 1.00 0.00 C ATOM 811 C CYS A 73 8.665 -5.727 7.997 1.00 0.00 C ATOM 812 O CYS A 73 8.559 -6.948 7.855 1.00 0.00 O ATOM 813 CB CYS A 73 7.738 -4.220 6.123 1.00 0.00 C ATOM 814 SG CYS A 73 8.113 -3.361 4.560 1.00 0.00 S ATOM 0 H CYS A 73 9.006 -5.851 4.949 1.00 0.00 H new ATOM 0 HA CYS A 73 9.639 -4.060 7.156 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.001 -5.001 5.937 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.287 -3.516 6.822 1.00 0.00 H new ATOM 819 N PRO A 74 8.479 -5.159 9.207 1.00 0.00 N ATOM 820 CA PRO A 74 8.338 -5.952 10.440 1.00 0.00 C ATOM 821 C PRO A 74 6.977 -6.663 10.605 1.00 0.00 C ATOM 822 O PRO A 74 6.851 -7.531 11.474 1.00 0.00 O ATOM 823 CB PRO A 74 8.601 -4.962 11.580 1.00 0.00 C ATOM 824 CG PRO A 74 8.121 -3.637 10.997 1.00 0.00 C ATOM 825 CD PRO A 74 8.540 -3.737 9.531 1.00 0.00 C ATOM 0 HA PRO A 74 9.043 -6.783 10.425 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.051 -5.229 12.482 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.657 -4.926 11.849 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.043 -3.517 11.102 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.586 -2.785 11.493 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.873 -3.159 8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.545 -3.343 9.382 1.00 0.00 H new ATOM 833 N GLY A 75 5.973 -6.334 9.778 1.00 0.00 N ATOM 834 CA GLY A 75 4.619 -6.918 9.790 1.00 0.00 C ATOM 835 C GLY A 75 3.767 -6.454 10.976 1.00 0.00 C ATOM 836 O GLY A 75 3.555 -5.229 11.110 1.00 0.00 O ATOM 837 OXT GLY A 75 3.294 -7.322 11.744 1.00 0.00 O ATOM 0 H GLY A 75 6.085 -5.626 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.110 -6.656 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.700 -8.005 9.814 1.00 0.00 H new TER 841 GLY A 75