USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=13 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 Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0659) 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+ -179:sc= 0 (180deg=-0.000248) 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 48 MET CE :methyl -177:sc= -0.509 (180deg=-0.534) USER MOD Single : A 50 ASN : amide:sc= -0.0171 K(o=-0.017,f=-0.79) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot -174:sc= 0.488 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -11:sc= 0.132 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00685 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.713 K(o=0.71,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 12.377 3.794 25.774 1.00 0.00 N ATOM 2 CA GLY A 19 13.197 3.926 24.551 1.00 0.00 C ATOM 3 C GLY A 19 12.452 4.701 23.478 1.00 0.00 C ATOM 4 O GLY A 19 12.204 5.896 23.641 1.00 0.00 O ATOM 0 HA2 GLY A 19 14.132 4.434 24.789 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.458 2.937 24.175 1.00 0.00 H new ATOM 10 N ASP A 20 12.078 4.035 22.382 1.00 0.00 N ATOM 11 CA ASP A 20 11.332 4.605 21.247 1.00 0.00 C ATOM 12 C ASP A 20 10.223 3.646 20.753 1.00 0.00 C ATOM 13 O ASP A 20 10.239 2.451 21.069 1.00 0.00 O ATOM 14 CB ASP A 20 12.338 4.953 20.131 1.00 0.00 C ATOM 15 CG ASP A 20 11.723 5.732 18.954 1.00 0.00 C ATOM 16 OD1 ASP A 20 10.758 6.504 19.172 1.00 0.00 O ATOM 17 OD2 ASP A 20 12.205 5.571 17.809 1.00 0.00 O ATOM 0 H ASP A 20 12.293 3.046 22.252 1.00 0.00 H new ATOM 0 HA ASP A 20 10.818 5.513 21.564 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.150 5.542 20.558 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.778 4.031 19.752 1.00 0.00 H new ATOM 22 N LYS A 21 9.255 4.165 19.985 1.00 0.00 N ATOM 23 CA LYS A 21 8.071 3.452 19.476 1.00 0.00 C ATOM 24 C LYS A 21 7.869 3.721 17.982 1.00 0.00 C ATOM 25 O LYS A 21 7.490 4.825 17.588 1.00 0.00 O ATOM 26 CB LYS A 21 6.802 3.831 20.271 1.00 0.00 C ATOM 27 CG LYS A 21 6.763 3.295 21.716 1.00 0.00 C ATOM 28 CD LYS A 21 7.377 4.208 22.795 1.00 0.00 C ATOM 29 CE LYS A 21 6.378 5.185 23.439 1.00 0.00 C ATOM 30 NZ LYS A 21 5.979 6.300 22.539 1.00 0.00 N ATOM 0 H LYS A 21 9.276 5.140 19.686 1.00 0.00 H new ATOM 0 HA LYS A 21 8.247 2.385 19.612 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.718 4.917 20.299 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.929 3.457 19.736 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.724 3.101 21.982 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.283 2.337 21.741 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.814 3.585 23.576 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.192 4.780 22.350 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.487 4.635 23.741 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.819 5.600 24.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.387 6.975 23.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.830 6.785 22.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.441 5.921 21.734 1.00 0.00 H new ATOM 44 N GLU A 22 8.103 2.709 17.149 1.00 0.00 N ATOM 45 CA GLU A 22 7.812 2.721 15.705 1.00 0.00 C ATOM 46 C GLU A 22 6.295 2.594 15.440 1.00 0.00 C ATOM 47 O GLU A 22 5.798 1.578 14.947 1.00 0.00 O ATOM 48 CB GLU A 22 8.620 1.620 14.989 1.00 0.00 C ATOM 49 CG GLU A 22 10.135 1.851 15.086 1.00 0.00 C ATOM 50 CD GLU A 22 10.912 0.776 14.301 1.00 0.00 C ATOM 51 OE1 GLU A 22 11.139 -0.333 14.844 1.00 0.00 O ATOM 52 OE2 GLU A 22 11.315 1.039 13.141 1.00 0.00 O ATOM 0 H GLU A 22 8.512 1.829 17.463 1.00 0.00 H new ATOM 0 HA GLU A 22 8.123 3.681 15.294 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.374 0.651 15.424 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.327 1.582 13.940 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.381 2.839 14.697 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.442 1.835 16.132 1.00 0.00 H new ATOM 59 N GLU A 23 5.528 3.621 15.807 1.00 0.00 N ATOM 60 CA GLU A 23 4.092 3.712 15.544 1.00 0.00 C ATOM 61 C GLU A 23 3.811 4.027 14.063 1.00 0.00 C ATOM 62 O GLU A 23 4.507 4.834 13.439 1.00 0.00 O ATOM 63 CB GLU A 23 3.471 4.790 16.451 1.00 0.00 C ATOM 64 CG GLU A 23 2.132 4.324 17.025 1.00 0.00 C ATOM 65 CD GLU A 23 1.514 5.398 17.940 1.00 0.00 C ATOM 66 OE1 GLU A 23 1.890 5.475 19.136 1.00 0.00 O ATOM 67 OE2 GLU A 23 0.642 6.170 17.473 1.00 0.00 O ATOM 0 H GLU A 23 5.896 4.431 16.306 1.00 0.00 H new ATOM 0 HA GLU A 23 3.638 2.746 15.765 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.157 5.024 17.265 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.326 5.709 15.882 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.444 4.096 16.211 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.276 3.402 17.588 1.00 0.00 H new ATOM 74 N CYS A 24 2.745 3.442 13.516 1.00 0.00 N ATOM 75 CA CYS A 24 2.341 3.574 12.109 1.00 0.00 C ATOM 76 C CYS A 24 1.097 4.468 11.933 1.00 0.00 C ATOM 77 O CYS A 24 0.165 4.154 11.193 1.00 0.00 O ATOM 78 CB CYS A 24 2.250 2.182 11.470 1.00 0.00 C ATOM 79 SG CYS A 24 1.029 1.017 12.128 1.00 0.00 S ATOM 0 H CYS A 24 2.117 2.844 14.053 1.00 0.00 H new ATOM 0 HA CYS A 24 3.108 4.115 11.555 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.044 2.316 10.408 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.232 1.715 11.548 1.00 0.00 H new ATOM 84 N THR A 25 1.106 5.618 12.618 1.00 0.00 N ATOM 85 CA THR A 25 0.081 6.682 12.537 1.00 0.00 C ATOM 86 C THR A 25 -0.030 7.335 11.148 1.00 0.00 C ATOM 87 O THR A 25 -1.085 7.844 10.767 1.00 0.00 O ATOM 88 CB THR A 25 0.373 7.739 13.616 1.00 0.00 C ATOM 89 OG1 THR A 25 -0.756 8.555 13.840 1.00 0.00 O ATOM 90 CG2 THR A 25 1.570 8.650 13.322 1.00 0.00 C ATOM 0 H THR A 25 1.855 5.848 13.272 1.00 0.00 H new ATOM 0 HA THR A 25 -0.887 6.213 12.712 1.00 0.00 H new ATOM 0 HB THR A 25 0.625 7.154 14.501 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.548 9.219 14.531 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.696 9.361 14.139 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.472 8.046 13.225 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.395 9.192 12.393 1.00 0.00 H new ATOM 98 N VAL A 26 1.063 7.266 10.379 1.00 0.00 N ATOM 99 CA VAL A 26 1.296 7.882 9.055 1.00 0.00 C ATOM 100 C VAL A 26 1.065 9.408 9.086 1.00 0.00 C ATOM 101 O VAL A 26 -0.015 9.886 8.718 1.00 0.00 O ATOM 102 CB VAL A 26 0.513 7.191 7.915 1.00 0.00 C ATOM 103 CG1 VAL A 26 1.110 7.578 6.554 1.00 0.00 C ATOM 104 CG2 VAL A 26 0.545 5.660 8.020 1.00 0.00 C ATOM 0 H VAL A 26 1.878 6.736 10.687 1.00 0.00 H new ATOM 0 HA VAL A 26 2.349 7.720 8.825 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.520 7.528 8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.551 7.086 5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.050 8.659 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.153 7.265 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.020 5.227 7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.577 5.314 7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.100 5.351 8.966 1.00 0.00 H new ATOM 114 N PRO A 27 2.056 10.200 9.544 1.00 0.00 N ATOM 115 CA PRO A 27 1.928 11.654 9.634 1.00 0.00 C ATOM 116 C PRO A 27 1.877 12.310 8.244 1.00 0.00 C ATOM 117 O PRO A 27 2.336 11.743 7.245 1.00 0.00 O ATOM 118 CB PRO A 27 3.146 12.111 10.445 1.00 0.00 C ATOM 119 CG PRO A 27 4.204 11.059 10.119 1.00 0.00 C ATOM 120 CD PRO A 27 3.385 9.778 9.964 1.00 0.00 C ATOM 0 HA PRO A 27 0.995 11.950 10.114 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.470 13.110 10.154 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.928 12.144 11.513 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.747 11.303 9.206 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.943 10.971 10.915 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.835 9.114 9.226 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.341 9.227 10.903 1.00 0.00 H new ATOM 128 N ILE A 28 1.338 13.532 8.176 1.00 0.00 N ATOM 129 CA ILE A 28 1.290 14.324 6.938 1.00 0.00 C ATOM 130 C ILE A 28 2.707 14.595 6.398 1.00 0.00 C ATOM 131 O ILE A 28 3.641 14.869 7.158 1.00 0.00 O ATOM 132 CB ILE A 28 0.445 15.605 7.138 1.00 0.00 C ATOM 133 CG1 ILE A 28 0.116 16.253 5.775 1.00 0.00 C ATOM 134 CG2 ILE A 28 1.115 16.611 8.093 1.00 0.00 C ATOM 135 CD1 ILE A 28 -0.989 17.315 5.849 1.00 0.00 C ATOM 0 H ILE A 28 0.921 14.003 8.979 1.00 0.00 H new ATOM 0 HA ILE A 28 0.784 13.745 6.165 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.489 15.307 7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.020 16.709 5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.187 15.474 5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.480 17.491 8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.257 16.147 9.069 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.083 16.908 7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.166 17.726 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.907 16.860 6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.681 18.115 6.523 1.00 0.00 H new ATOM 147 N GLY A 29 2.876 14.486 5.077 1.00 0.00 N ATOM 148 CA GLY A 29 4.161 14.649 4.386 1.00 0.00 C ATOM 149 C GLY A 29 4.946 13.349 4.142 1.00 0.00 C ATOM 150 O GLY A 29 6.014 13.404 3.525 1.00 0.00 O ATOM 0 H GLY A 29 2.105 14.277 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.979 15.130 3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.785 15.327 4.969 1.00 0.00 H new ATOM 154 N TRP A 30 4.451 12.183 4.585 1.00 0.00 N ATOM 155 CA TRP A 30 5.006 10.875 4.214 1.00 0.00 C ATOM 156 C TRP A 30 4.828 10.601 2.705 1.00 0.00 C ATOM 157 O TRP A 30 3.880 11.087 2.084 1.00 0.00 O ATOM 158 CB TRP A 30 4.336 9.782 5.067 1.00 0.00 C ATOM 159 CG TRP A 30 4.960 8.425 4.942 1.00 0.00 C ATOM 160 CD1 TRP A 30 4.652 7.507 4.000 1.00 0.00 C ATOM 161 CD2 TRP A 30 6.019 7.827 5.748 1.00 0.00 C ATOM 162 NE1 TRP A 30 5.494 6.416 4.119 1.00 0.00 N ATOM 163 CE2 TRP A 30 6.356 6.560 5.186 1.00 0.00 C ATOM 164 CE3 TRP A 30 6.738 8.232 6.894 1.00 0.00 C ATOM 165 CZ2 TRP A 30 7.376 5.752 5.711 1.00 0.00 C ATOM 166 CZ3 TRP A 30 7.753 7.423 7.441 1.00 0.00 C ATOM 167 CH2 TRP A 30 8.079 6.189 6.848 1.00 0.00 C ATOM 0 H TRP A 30 3.650 12.122 5.214 1.00 0.00 H new ATOM 0 HA TRP A 30 6.078 10.871 4.411 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.366 10.086 6.113 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.285 9.712 4.785 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.867 7.609 3.265 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.479 5.608 3.497 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.506 9.179 7.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.618 4.807 5.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.285 7.752 8.322 1.00 0.00 H new ATOM 0 HH2 TRP A 30 8.867 5.579 7.265 1.00 0.00 H new ATOM 178 N SER A 31 5.721 9.807 2.105 1.00 0.00 N ATOM 179 CA SER A 31 5.700 9.433 0.679 1.00 0.00 C ATOM 180 C SER A 31 4.664 8.333 0.372 1.00 0.00 C ATOM 181 O SER A 31 5.007 7.174 0.127 1.00 0.00 O ATOM 182 CB SER A 31 7.106 9.006 0.228 1.00 0.00 C ATOM 183 OG SER A 31 8.053 10.047 0.436 1.00 0.00 O ATOM 0 H SER A 31 6.504 9.392 2.610 1.00 0.00 H new ATOM 0 HA SER A 31 5.393 10.313 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.413 8.117 0.779 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.085 8.736 -0.828 1.00 0.00 H new ATOM 0 HG SER A 31 8.938 9.747 0.142 1.00 0.00 H new ATOM 189 N GLU A 32 3.375 8.679 0.405 1.00 0.00 N ATOM 190 CA GLU A 32 2.255 7.793 0.039 1.00 0.00 C ATOM 191 C GLU A 32 2.115 7.546 -1.489 1.00 0.00 C ATOM 192 O GLU A 32 2.536 8.387 -2.295 1.00 0.00 O ATOM 193 CB GLU A 32 0.926 8.306 0.643 1.00 0.00 C ATOM 194 CG GLU A 32 0.715 9.824 0.786 1.00 0.00 C ATOM 195 CD GLU A 32 0.744 10.607 -0.543 1.00 0.00 C ATOM 196 OE1 GLU A 32 -0.295 10.652 -1.245 1.00 0.00 O ATOM 197 OE2 GLU A 32 1.775 11.251 -0.854 1.00 0.00 O ATOM 0 H GLU A 32 3.068 9.608 0.694 1.00 0.00 H new ATOM 0 HA GLU A 32 2.493 6.821 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.113 7.916 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.821 7.863 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.244 9.999 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.486 10.224 1.444 1.00 0.00 H new ATOM 204 N PRO A 33 1.506 6.417 -1.914 1.00 0.00 N ATOM 205 CA PRO A 33 1.128 6.166 -3.311 1.00 0.00 C ATOM 206 C PRO A 33 -0.140 6.950 -3.721 1.00 0.00 C ATOM 207 O PRO A 33 -0.796 7.576 -2.885 1.00 0.00 O ATOM 208 CB PRO A 33 0.905 4.652 -3.376 1.00 0.00 C ATOM 209 CG PRO A 33 0.339 4.329 -1.995 1.00 0.00 C ATOM 210 CD PRO A 33 1.121 5.277 -1.085 1.00 0.00 C ATOM 0 HA PRO A 33 1.895 6.502 -4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.210 4.380 -4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.834 4.115 -3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.734 4.511 -1.944 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.498 3.285 -1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.510 5.598 -0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.000 4.782 -0.672 1.00 0.00 H new ATOM 218 N VAL A 34 -0.517 6.892 -5.007 1.00 0.00 N ATOM 219 CA VAL A 34 -1.692 7.593 -5.571 1.00 0.00 C ATOM 220 C VAL A 34 -2.628 6.651 -6.341 1.00 0.00 C ATOM 221 O VAL A 34 -2.179 5.735 -7.035 1.00 0.00 O ATOM 222 CB VAL A 34 -1.244 8.800 -6.424 1.00 0.00 C ATOM 223 CG1 VAL A 34 -0.657 8.401 -7.783 1.00 0.00 C ATOM 224 CG2 VAL A 34 -2.383 9.799 -6.657 1.00 0.00 C ATOM 0 H VAL A 34 -0.007 6.347 -5.702 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.281 7.973 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.457 9.272 -5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.363 9.297 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.216 7.767 -7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.406 7.855 -8.357 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.020 10.630 -7.261 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.202 9.302 -7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.738 10.176 -5.698 1.00 0.00 H new ATOM 234 N LYS A 35 -3.940 6.894 -6.230 1.00 0.00 N ATOM 235 CA LYS A 35 -5.003 6.198 -6.974 1.00 0.00 C ATOM 236 C LYS A 35 -4.890 6.471 -8.483 1.00 0.00 C ATOM 237 O LYS A 35 -4.539 7.580 -8.893 1.00 0.00 O ATOM 238 CB LYS A 35 -6.361 6.664 -6.409 1.00 0.00 C ATOM 239 CG LYS A 35 -7.529 5.762 -6.841 1.00 0.00 C ATOM 240 CD LYS A 35 -8.911 6.322 -6.482 1.00 0.00 C ATOM 241 CE LYS A 35 -9.156 6.321 -4.966 1.00 0.00 C ATOM 242 NZ LYS A 35 -10.500 6.859 -4.627 1.00 0.00 N ATOM 0 H LYS A 35 -4.306 7.606 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.907 5.119 -6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.308 6.685 -5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.555 7.685 -6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.478 5.610 -7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.412 4.784 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.000 7.339 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.682 5.729 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.063 5.305 -4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.389 6.919 -4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.630 6.843 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.579 7.837 -4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.232 6.273 -5.077 1.00 0.00 H new ATOM 256 N GLY A 36 -5.244 5.490 -9.316 1.00 0.00 N ATOM 257 CA GLY A 36 -5.238 5.610 -10.784 1.00 0.00 C ATOM 258 C GLY A 36 -6.519 6.192 -11.415 1.00 0.00 C ATOM 259 O GLY A 36 -6.535 6.444 -12.620 1.00 0.00 O ATOM 0 H GLY A 36 -5.549 4.573 -8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.395 6.237 -11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.062 4.622 -11.210 1.00 0.00 H new ATOM 263 N LEU A 37 -7.584 6.409 -10.627 1.00 0.00 N ATOM 264 CA LEU A 37 -8.912 6.926 -11.035 1.00 0.00 C ATOM 265 C LEU A 37 -9.604 6.101 -12.154 1.00 0.00 C ATOM 266 O LEU A 37 -10.481 6.598 -12.867 1.00 0.00 O ATOM 267 CB LEU A 37 -8.828 8.449 -11.340 1.00 0.00 C ATOM 268 CG LEU A 37 -8.789 9.428 -10.148 1.00 0.00 C ATOM 269 CD1 LEU A 37 -10.058 9.361 -9.294 1.00 0.00 C ATOM 270 CD2 LEU A 37 -7.574 9.251 -9.239 1.00 0.00 C ATOM 0 H LEU A 37 -7.545 6.218 -9.626 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.581 6.795 -10.184 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.935 8.620 -11.941 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.685 8.713 -11.960 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.716 10.409 -10.618 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.979 10.069 -8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.923 9.613 -9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.176 8.353 -8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.620 9.975 -8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.572 8.242 -8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.662 9.409 -9.815 1.00 0.00 H new ATOM 282 N CYS A 38 -9.226 4.829 -12.308 1.00 0.00 N ATOM 283 CA CYS A 38 -9.772 3.908 -13.316 1.00 0.00 C ATOM 284 C CYS A 38 -11.189 3.404 -12.959 1.00 0.00 C ATOM 285 O CYS A 38 -11.677 3.588 -11.839 1.00 0.00 O ATOM 286 CB CYS A 38 -8.816 2.714 -13.474 1.00 0.00 C ATOM 287 SG CYS A 38 -7.060 3.134 -13.649 1.00 0.00 S ATOM 0 H CYS A 38 -8.513 4.397 -11.721 1.00 0.00 H new ATOM 0 HA CYS A 38 -9.860 4.457 -14.254 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.931 2.063 -12.608 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.123 2.139 -14.348 1.00 0.00 H new ATOM 292 N LYS A 39 -11.829 2.689 -13.896 1.00 0.00 N ATOM 293 CA LYS A 39 -13.132 2.012 -13.718 1.00 0.00 C ATOM 294 C LYS A 39 -13.074 0.697 -12.913 1.00 0.00 C ATOM 295 O LYS A 39 -14.119 0.091 -12.668 1.00 0.00 O ATOM 296 CB LYS A 39 -13.779 1.790 -15.102 1.00 0.00 C ATOM 297 CG LYS A 39 -14.161 3.120 -15.774 1.00 0.00 C ATOM 298 CD LYS A 39 -14.889 2.885 -17.105 1.00 0.00 C ATOM 299 CE LYS A 39 -15.271 4.198 -17.806 1.00 0.00 C ATOM 300 NZ LYS A 39 -16.343 4.939 -17.086 1.00 0.00 N ATOM 0 H LYS A 39 -11.445 2.559 -14.832 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.747 2.675 -13.109 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.087 1.244 -15.743 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.668 1.170 -14.992 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.799 3.697 -15.105 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.263 3.713 -15.948 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.252 2.296 -17.765 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.789 2.298 -16.924 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.388 4.832 -17.888 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.603 3.981 -18.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.576 5.808 -17.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.191 4.341 -17.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.013 5.187 -16.132 1.00 0.00 H new ATOM 314 N ALA A 40 -11.886 0.256 -12.487 1.00 0.00 N ATOM 315 CA ALA A 40 -11.645 -0.988 -11.742 1.00 0.00 C ATOM 316 C ALA A 40 -10.898 -0.760 -10.409 1.00 0.00 C ATOM 317 O ALA A 40 -10.222 0.256 -10.217 1.00 0.00 O ATOM 318 CB ALA A 40 -10.875 -1.949 -12.661 1.00 0.00 C ATOM 0 H ALA A 40 -11.027 0.778 -12.659 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.605 -1.419 -11.459 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.682 -2.882 -12.132 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.468 -2.153 -13.553 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.928 -1.494 -12.951 1.00 0.00 H new ATOM 324 N ARG A 41 -10.989 -1.744 -9.500 1.00 0.00 N ATOM 325 CA ARG A 41 -10.383 -1.754 -8.153 1.00 0.00 C ATOM 326 C ARG A 41 -9.621 -3.057 -7.863 1.00 0.00 C ATOM 327 O ARG A 41 -10.148 -3.998 -7.268 1.00 0.00 O ATOM 328 CB ARG A 41 -11.425 -1.411 -7.066 1.00 0.00 C ATOM 329 CG ARG A 41 -12.743 -2.211 -7.143 1.00 0.00 C ATOM 330 CD ARG A 41 -13.444 -2.315 -5.782 1.00 0.00 C ATOM 331 NE ARG A 41 -13.911 -1.007 -5.278 1.00 0.00 N ATOM 332 CZ ARG A 41 -14.291 -0.727 -4.042 1.00 0.00 C ATOM 333 NH1 ARG A 41 -14.239 -1.608 -3.084 1.00 0.00 N ATOM 334 NH2 ARG A 41 -14.743 0.457 -3.743 1.00 0.00 N ATOM 0 H ARG A 41 -11.513 -2.598 -9.691 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.632 -0.965 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.974 -1.578 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.659 -0.349 -7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.413 -1.734 -7.858 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.535 -3.213 -7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.295 -2.991 -5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.758 -2.755 -5.058 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.944 -0.242 -5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.897 -2.550 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.541 -1.356 -2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.806 1.176 -4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.034 0.666 -2.788 1.00 0.00 H new ATOM 348 N PHE A 42 -8.361 -3.100 -8.290 1.00 0.00 N ATOM 349 CA PHE A 42 -7.393 -4.143 -7.911 1.00 0.00 C ATOM 350 C PHE A 42 -7.054 -4.073 -6.408 1.00 0.00 C ATOM 351 O PHE A 42 -7.407 -3.100 -5.740 1.00 0.00 O ATOM 352 CB PHE A 42 -6.115 -3.993 -8.756 1.00 0.00 C ATOM 353 CG PHE A 42 -6.334 -3.707 -10.234 1.00 0.00 C ATOM 354 CD1 PHE A 42 -7.252 -4.466 -10.986 1.00 0.00 C ATOM 355 CD2 PHE A 42 -5.632 -2.653 -10.850 1.00 0.00 C ATOM 356 CE1 PHE A 42 -7.488 -4.154 -12.337 1.00 0.00 C ATOM 357 CE2 PHE A 42 -5.864 -2.344 -12.203 1.00 0.00 C ATOM 358 CZ PHE A 42 -6.798 -3.091 -12.944 1.00 0.00 C ATOM 0 H PHE A 42 -7.971 -2.400 -8.921 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.842 -5.117 -8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.514 -3.188 -8.334 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.531 -4.909 -8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.776 -5.290 -10.524 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.914 -2.080 -10.282 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.200 -4.732 -12.908 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.325 -1.534 -12.672 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.985 -2.847 -13.979 1.00 0.00 H new ATOM 368 N THR A 43 -6.315 -5.057 -5.884 1.00 0.00 N ATOM 369 CA THR A 43 -5.860 -5.099 -4.477 1.00 0.00 C ATOM 370 C THR A 43 -4.335 -5.161 -4.409 1.00 0.00 C ATOM 371 O THR A 43 -3.734 -6.147 -4.841 1.00 0.00 O ATOM 372 CB THR A 43 -6.462 -6.288 -3.704 1.00 0.00 C ATOM 373 OG1 THR A 43 -7.858 -6.385 -3.916 1.00 0.00 O ATOM 374 CG2 THR A 43 -6.270 -6.125 -2.196 1.00 0.00 C ATOM 0 H THR A 43 -6.008 -5.863 -6.429 1.00 0.00 H new ATOM 0 HA THR A 43 -6.211 -4.182 -4.003 1.00 0.00 H new ATOM 0 HB THR A 43 -5.947 -7.176 -4.071 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.213 -7.149 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.706 -6.980 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.205 -6.068 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.762 -5.211 -1.863 1.00 0.00 H new ATOM 382 N ARG A 44 -3.704 -4.107 -3.880 1.00 0.00 N ATOM 383 CA ARG A 44 -2.254 -4.003 -3.626 1.00 0.00 C ATOM 384 C ARG A 44 -1.980 -3.816 -2.134 1.00 0.00 C ATOM 385 O ARG A 44 -2.888 -3.495 -1.369 1.00 0.00 O ATOM 386 CB ARG A 44 -1.652 -2.826 -4.421 1.00 0.00 C ATOM 387 CG ARG A 44 -1.937 -2.838 -5.930 1.00 0.00 C ATOM 388 CD ARG A 44 -1.485 -4.115 -6.654 1.00 0.00 C ATOM 389 NE ARG A 44 -0.020 -4.244 -6.641 1.00 0.00 N ATOM 390 CZ ARG A 44 0.721 -5.213 -7.139 1.00 0.00 C ATOM 391 NH1 ARG A 44 0.205 -6.256 -7.725 1.00 0.00 N ATOM 392 NH2 ARG A 44 2.014 -5.129 -7.050 1.00 0.00 N ATOM 0 H ARG A 44 -4.207 -3.264 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.784 -4.930 -3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.034 -1.894 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.572 -2.823 -4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.008 -2.707 -6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.441 -1.982 -6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.934 -4.986 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.842 -4.098 -7.684 1.00 0.00 H new ATOM 0 HE ARG A 44 0.488 -3.485 -6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.808 -6.344 -7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.814 -6.985 -8.098 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.443 -4.321 -6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.601 -5.871 -7.431 1.00 0.00 H new ATOM 406 N TYR A 45 -0.722 -3.950 -1.731 1.00 0.00 N ATOM 407 CA TYR A 45 -0.256 -3.697 -0.365 1.00 0.00 C ATOM 408 C TYR A 45 0.994 -2.810 -0.379 1.00 0.00 C ATOM 409 O TYR A 45 1.851 -2.940 -1.254 1.00 0.00 O ATOM 410 CB TYR A 45 -0.006 -5.036 0.345 1.00 0.00 C ATOM 411 CG TYR A 45 -1.251 -5.893 0.521 1.00 0.00 C ATOM 412 CD1 TYR A 45 -2.054 -5.742 1.670 1.00 0.00 C ATOM 413 CD2 TYR A 45 -1.611 -6.840 -0.462 1.00 0.00 C ATOM 414 CE1 TYR A 45 -3.189 -6.557 1.850 1.00 0.00 C ATOM 415 CE2 TYR A 45 -2.753 -7.645 -0.291 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.543 -7.509 0.871 1.00 0.00 C ATOM 417 OH TYR A 45 -4.642 -8.290 1.055 1.00 0.00 O ATOM 0 H TYR A 45 0.025 -4.245 -2.359 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.022 -3.157 0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.733 -5.602 -0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.427 -4.839 1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.799 -5.001 2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.007 -6.948 -1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.790 -6.453 2.741 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.025 -8.366 -1.048 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.747 -8.892 0.289 1.00 0.00 H new ATOM 427 N TYR A 46 1.100 -1.904 0.592 1.00 0.00 N ATOM 428 CA TYR A 46 2.205 -0.952 0.743 1.00 0.00 C ATOM 429 C TYR A 46 2.588 -0.824 2.222 1.00 0.00 C ATOM 430 O TYR A 46 1.721 -0.635 3.076 1.00 0.00 O ATOM 431 CB TYR A 46 1.786 0.426 0.203 1.00 0.00 C ATOM 432 CG TYR A 46 1.663 0.554 -1.307 1.00 0.00 C ATOM 433 CD1 TYR A 46 0.494 0.130 -1.972 1.00 0.00 C ATOM 434 CD2 TYR A 46 2.699 1.167 -2.041 1.00 0.00 C ATOM 435 CE1 TYR A 46 0.344 0.336 -3.358 1.00 0.00 C ATOM 436 CE2 TYR A 46 2.553 1.380 -3.425 1.00 0.00 C ATOM 437 CZ TYR A 46 1.372 0.980 -4.081 1.00 0.00 C ATOM 438 OH TYR A 46 1.229 1.229 -5.410 1.00 0.00 O ATOM 0 H TYR A 46 0.395 -1.807 1.322 1.00 0.00 H new ATOM 0 HA TYR A 46 3.063 -1.317 0.178 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.826 0.689 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.510 1.163 0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.293 -0.357 -1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.606 1.474 -1.541 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.551 0.004 -3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.348 1.851 -3.985 1.00 0.00 H new ATOM 0 HH TYR A 46 2.032 1.679 -5.747 1.00 0.00 H new ATOM 448 N CYS A 47 3.881 -0.899 2.544 1.00 0.00 N ATOM 449 CA CYS A 47 4.366 -0.498 3.867 1.00 0.00 C ATOM 450 C CYS A 47 4.307 1.036 4.031 1.00 0.00 C ATOM 451 O CYS A 47 4.646 1.781 3.108 1.00 0.00 O ATOM 452 CB CYS A 47 5.788 -1.025 4.074 1.00 0.00 C ATOM 453 SG CYS A 47 6.456 -0.629 5.708 1.00 0.00 S ATOM 0 H CYS A 47 4.608 -1.232 1.911 1.00 0.00 H new ATOM 0 HA CYS A 47 3.720 -0.931 4.630 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.792 -2.106 3.938 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.441 -0.605 3.309 1.00 0.00 H new ATOM 458 N MET A 48 3.922 1.510 5.220 1.00 0.00 N ATOM 459 CA MET A 48 3.806 2.939 5.577 1.00 0.00 C ATOM 460 C MET A 48 4.806 3.359 6.680 1.00 0.00 C ATOM 461 O MET A 48 4.569 4.304 7.431 1.00 0.00 O ATOM 462 CB MET A 48 2.345 3.254 5.944 1.00 0.00 C ATOM 463 CG MET A 48 1.353 3.008 4.794 1.00 0.00 C ATOM 464 SD MET A 48 0.707 4.501 3.992 1.00 0.00 S ATOM 465 CE MET A 48 2.240 5.236 3.366 1.00 0.00 C ATOM 0 H MET A 48 3.672 0.892 5.992 1.00 0.00 H new ATOM 0 HA MET A 48 4.080 3.539 4.709 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.055 2.644 6.799 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.274 4.296 6.257 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.843 2.394 4.039 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.513 2.430 5.179 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.018 6.192 2.892 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.932 5.394 4.193 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.693 4.565 2.636 1.00 0.00 H new ATOM 475 N GLY A 49 5.919 2.624 6.791 1.00 0.00 N ATOM 476 CA GLY A 49 7.029 2.828 7.735 1.00 0.00 C ATOM 477 C GLY A 49 7.409 1.544 8.479 1.00 0.00 C ATOM 478 O GLY A 49 8.592 1.243 8.648 1.00 0.00 O ATOM 0 H GLY A 49 6.081 1.819 6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.898 3.201 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.751 3.594 8.458 1.00 0.00 H new ATOM 482 N ASN A 50 6.402 0.763 8.879 1.00 0.00 N ATOM 483 CA ASN A 50 6.537 -0.579 9.457 1.00 0.00 C ATOM 484 C ASN A 50 5.301 -1.457 9.186 1.00 0.00 C ATOM 485 O ASN A 50 5.445 -2.587 8.723 1.00 0.00 O ATOM 486 CB ASN A 50 6.891 -0.487 10.957 1.00 0.00 C ATOM 487 CG ASN A 50 5.920 0.310 11.813 1.00 0.00 C ATOM 488 OD1 ASN A 50 5.748 1.509 11.656 1.00 0.00 O ATOM 489 ND2 ASN A 50 5.270 -0.317 12.762 1.00 0.00 N ATOM 0 H ASN A 50 5.429 1.060 8.806 1.00 0.00 H new ATOM 0 HA ASN A 50 7.365 -1.082 8.957 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.957 -1.498 11.359 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.881 -0.041 11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.626 0.196 13.364 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.408 -1.318 12.899 1.00 0.00 H new ATOM 496 N CYS A 51 4.093 -0.940 9.436 1.00 0.00 N ATOM 497 CA CYS A 51 2.829 -1.615 9.125 1.00 0.00 C ATOM 498 C CYS A 51 2.564 -1.665 7.608 1.00 0.00 C ATOM 499 O CYS A 51 2.687 -0.651 6.913 1.00 0.00 O ATOM 500 CB CYS A 51 1.684 -0.875 9.833 1.00 0.00 C ATOM 501 SG CYS A 51 1.863 -0.776 11.637 1.00 0.00 S ATOM 0 H CYS A 51 3.965 -0.025 9.868 1.00 0.00 H new ATOM 0 HA CYS A 51 2.892 -2.644 9.478 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.616 0.136 9.430 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.744 -1.375 9.600 1.00 0.00 H new ATOM 506 N CYS A 52 2.146 -2.829 7.105 1.00 0.00 N ATOM 507 CA CYS A 52 1.513 -2.974 5.792 1.00 0.00 C ATOM 508 C CYS A 52 0.070 -2.430 5.818 1.00 0.00 C ATOM 509 O CYS A 52 -0.705 -2.764 6.719 1.00 0.00 O ATOM 510 CB CYS A 52 1.486 -4.458 5.407 1.00 0.00 C ATOM 511 SG CYS A 52 3.095 -5.243 5.120 1.00 0.00 S ATOM 0 H CYS A 52 2.239 -3.712 7.607 1.00 0.00 H new ATOM 0 HA CYS A 52 2.088 -2.405 5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.974 -5.007 6.197 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.887 -4.566 4.503 1.00 0.00 H new ATOM 516 N LYS A 53 -0.312 -1.652 4.799 1.00 0.00 N ATOM 517 CA LYS A 53 -1.682 -1.184 4.533 1.00 0.00 C ATOM 518 C LYS A 53 -2.121 -1.639 3.136 1.00 0.00 C ATOM 519 O LYS A 53 -1.358 -1.521 2.174 1.00 0.00 O ATOM 520 CB LYS A 53 -1.729 0.348 4.691 1.00 0.00 C ATOM 521 CG LYS A 53 -3.172 0.881 4.761 1.00 0.00 C ATOM 522 CD LYS A 53 -3.264 2.414 4.683 1.00 0.00 C ATOM 523 CE LYS A 53 -2.571 3.174 5.825 1.00 0.00 C ATOM 524 NZ LYS A 53 -3.239 2.961 7.139 1.00 0.00 N ATOM 0 H LYS A 53 0.354 -1.315 4.104 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.382 -1.617 5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.193 0.635 5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.211 0.814 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.751 0.448 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.631 0.544 5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.831 2.740 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.316 2.698 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.532 2.853 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.561 4.239 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.734 3.494 7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.224 3.292 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.226 1.948 7.375 1.00 0.00 H new ATOM 538 N VAL A 54 -3.332 -2.185 3.022 1.00 0.00 N ATOM 539 CA VAL A 54 -3.952 -2.522 1.727 1.00 0.00 C ATOM 540 C VAL A 54 -4.396 -1.251 0.986 1.00 0.00 C ATOM 541 O VAL A 54 -4.823 -0.274 1.607 1.00 0.00 O ATOM 542 CB VAL A 54 -5.110 -3.524 1.925 1.00 0.00 C ATOM 543 CG1 VAL A 54 -6.363 -2.915 2.556 1.00 0.00 C ATOM 544 CG2 VAL A 54 -5.514 -4.212 0.620 1.00 0.00 C ATOM 0 H VAL A 54 -3.919 -2.410 3.826 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.209 -3.011 1.097 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.701 -4.256 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.128 -3.684 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.117 -2.512 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.738 -2.114 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.332 -4.907 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.838 -3.462 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.661 -4.759 0.218 1.00 0.00 H new ATOM 554 N TYR A 55 -4.320 -1.268 -0.343 1.00 0.00 N ATOM 555 CA TYR A 55 -4.722 -0.184 -1.242 1.00 0.00 C ATOM 556 C TYR A 55 -5.543 -0.729 -2.417 1.00 0.00 C ATOM 557 O TYR A 55 -5.195 -1.748 -3.020 1.00 0.00 O ATOM 558 CB TYR A 55 -3.477 0.579 -1.721 1.00 0.00 C ATOM 559 CG TYR A 55 -3.030 1.672 -0.765 1.00 0.00 C ATOM 560 CD1 TYR A 55 -3.624 2.944 -0.860 1.00 0.00 C ATOM 561 CD2 TYR A 55 -2.049 1.430 0.218 1.00 0.00 C ATOM 562 CE1 TYR A 55 -3.223 3.986 -0.005 1.00 0.00 C ATOM 563 CE2 TYR A 55 -1.640 2.471 1.076 1.00 0.00 C ATOM 564 CZ TYR A 55 -2.224 3.752 0.963 1.00 0.00 C ATOM 565 OH TYR A 55 -1.839 4.755 1.797 1.00 0.00 O ATOM 0 H TYR A 55 -3.959 -2.077 -0.849 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.362 0.514 -0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.659 -0.128 -1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.685 1.022 -2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.394 3.122 -1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.611 0.447 0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.678 4.962 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.879 2.289 1.821 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.082 4.455 2.342 1.00 0.00 H new ATOM 575 N GLU A 56 -6.649 -0.052 -2.732 1.00 0.00 N ATOM 576 CA GLU A 56 -7.658 -0.485 -3.708 1.00 0.00 C ATOM 577 C GLU A 56 -8.100 0.688 -4.602 1.00 0.00 C ATOM 578 O GLU A 56 -8.692 1.654 -4.111 1.00 0.00 O ATOM 579 CB GLU A 56 -8.871 -1.113 -2.996 1.00 0.00 C ATOM 580 CG GLU A 56 -8.546 -2.343 -2.132 1.00 0.00 C ATOM 581 CD GLU A 56 -9.832 -2.922 -1.508 1.00 0.00 C ATOM 582 OE1 GLU A 56 -10.664 -3.511 -2.242 1.00 0.00 O ATOM 583 OE2 GLU A 56 -10.029 -2.784 -0.276 1.00 0.00 O ATOM 0 H GLU A 56 -6.877 0.844 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.205 -1.244 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.336 -0.356 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.608 -1.398 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.057 -3.103 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.846 -2.066 -1.344 1.00 0.00 H new ATOM 590 N GLY A 57 -7.785 0.635 -5.903 1.00 0.00 N ATOM 591 CA GLY A 57 -8.060 1.730 -6.854 1.00 0.00 C ATOM 592 C GLY A 57 -7.003 1.924 -7.949 1.00 0.00 C ATOM 593 O GLY A 57 -6.406 2.996 -8.062 1.00 0.00 O ATOM 0 H GLY A 57 -7.330 -0.171 -6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.023 1.544 -7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.156 2.661 -6.294 1.00 0.00 H new ATOM 597 N CYS A 58 -6.781 0.899 -8.779 1.00 0.00 N ATOM 598 CA CYS A 58 -5.907 0.946 -9.965 1.00 0.00 C ATOM 599 C CYS A 58 -4.427 1.299 -9.663 1.00 0.00 C ATOM 600 O CYS A 58 -3.737 1.921 -10.473 1.00 0.00 O ATOM 601 CB CYS A 58 -6.571 1.866 -10.996 1.00 0.00 C ATOM 602 SG CYS A 58 -6.136 1.574 -12.731 1.00 0.00 S ATOM 0 H CYS A 58 -7.215 -0.014 -8.644 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.816 -0.059 -10.378 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -7.652 1.771 -10.894 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.317 2.897 -10.748 1.00 0.00 H new ATOM 607 N TYR A 59 -3.940 0.921 -8.475 1.00 0.00 N ATOM 608 CA TYR A 59 -2.612 1.287 -7.957 1.00 0.00 C ATOM 609 C TYR A 59 -1.449 0.595 -8.694 1.00 0.00 C ATOM 610 O TYR A 59 -0.452 1.247 -9.000 1.00 0.00 O ATOM 611 CB TYR A 59 -2.549 0.983 -6.449 1.00 0.00 C ATOM 612 CG TYR A 59 -3.223 2.034 -5.587 1.00 0.00 C ATOM 613 CD1 TYR A 59 -4.608 1.977 -5.355 1.00 0.00 C ATOM 614 CD2 TYR A 59 -2.465 3.086 -5.041 1.00 0.00 C ATOM 615 CE1 TYR A 59 -5.250 2.992 -4.619 1.00 0.00 C ATOM 616 CE2 TYR A 59 -3.095 4.089 -4.279 1.00 0.00 C ATOM 617 CZ TYR A 59 -4.492 4.058 -4.085 1.00 0.00 C ATOM 618 OH TYR A 59 -5.095 5.046 -3.370 1.00 0.00 O ATOM 0 H TYR A 59 -4.471 0.337 -7.829 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.485 2.355 -8.135 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.018 0.017 -6.262 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.505 0.894 -6.148 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.184 1.150 -5.743 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.398 3.124 -5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.318 2.955 -4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.508 4.883 -3.842 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.422 5.696 -3.078 1.00 0.00 H new ATOM 628 N THR A 60 -1.571 -0.721 -8.926 1.00 0.00 N ATOM 629 CA THR A 60 -0.642 -1.694 -9.574 1.00 0.00 C ATOM 630 C THR A 60 0.822 -1.749 -9.085 1.00 0.00 C ATOM 631 O THR A 60 1.548 -2.683 -9.434 1.00 0.00 O ATOM 632 CB THR A 60 -0.696 -1.632 -11.115 1.00 0.00 C ATOM 633 OG1 THR A 60 -0.182 -0.415 -11.614 1.00 0.00 O ATOM 634 CG2 THR A 60 -2.120 -1.798 -11.655 1.00 0.00 C ATOM 0 H THR A 60 -2.423 -1.198 -8.632 1.00 0.00 H new ATOM 0 HA THR A 60 -1.059 -2.636 -9.218 1.00 0.00 H new ATOM 0 HB THR A 60 -0.078 -2.463 -11.456 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.055 0.215 -10.874 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.105 -1.747 -12.744 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.517 -2.764 -11.343 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.753 -1.002 -11.263 1.00 0.00 H new ATOM 642 N GLY A 61 1.252 -0.822 -8.229 1.00 0.00 N ATOM 643 CA GLY A 61 2.590 -0.716 -7.630 1.00 0.00 C ATOM 644 C GLY A 61 2.736 -1.459 -6.295 1.00 0.00 C ATOM 645 O GLY A 61 1.959 -2.363 -5.979 1.00 0.00 O ATOM 0 H GLY A 61 0.636 -0.073 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.324 -1.107 -8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.826 0.337 -7.476 1.00 0.00 H new ATOM 649 N GLY A 62 3.763 -1.104 -5.517 1.00 0.00 N ATOM 650 CA GLY A 62 4.036 -1.669 -4.189 1.00 0.00 C ATOM 651 C GLY A 62 4.236 -3.187 -4.214 1.00 0.00 C ATOM 652 O GLY A 62 5.097 -3.694 -4.939 1.00 0.00 O ATOM 0 H GLY A 62 4.445 -0.399 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.928 -1.197 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.209 -1.428 -3.521 1.00 0.00 H new ATOM 656 N TYR A 63 3.429 -3.912 -3.436 1.00 0.00 N ATOM 657 CA TYR A 63 3.504 -5.362 -3.240 1.00 0.00 C ATOM 658 C TYR A 63 2.173 -6.056 -3.571 1.00 0.00 C ATOM 659 O TYR A 63 1.093 -5.469 -3.452 1.00 0.00 O ATOM 660 CB TYR A 63 3.923 -5.645 -1.787 1.00 0.00 C ATOM 661 CG TYR A 63 5.264 -5.058 -1.382 1.00 0.00 C ATOM 662 CD1 TYR A 63 6.447 -5.796 -1.582 1.00 0.00 C ATOM 663 CD2 TYR A 63 5.330 -3.774 -0.804 1.00 0.00 C ATOM 664 CE1 TYR A 63 7.687 -5.264 -1.181 1.00 0.00 C ATOM 665 CE2 TYR A 63 6.569 -3.239 -0.399 1.00 0.00 C ATOM 666 CZ TYR A 63 7.752 -3.988 -0.582 1.00 0.00 C ATOM 667 OH TYR A 63 8.955 -3.485 -0.190 1.00 0.00 O ATOM 0 H TYR A 63 2.672 -3.486 -2.902 1.00 0.00 H new ATOM 0 HA TYR A 63 4.247 -5.770 -3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.155 -5.253 -1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.955 -6.724 -1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.403 -6.771 -2.044 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.426 -3.198 -0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.592 -5.834 -1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.614 -2.258 0.051 1.00 0.00 H new ATOM 0 HH TYR A 63 8.826 -2.596 0.203 1.00 0.00 H new ATOM 677 N SER A 64 2.249 -7.327 -3.971 1.00 0.00 N ATOM 678 CA SER A 64 1.095 -8.165 -4.335 1.00 0.00 C ATOM 679 C SER A 64 0.374 -8.800 -3.136 1.00 0.00 C ATOM 680 O SER A 64 -0.813 -9.120 -3.248 1.00 0.00 O ATOM 681 CB SER A 64 1.556 -9.274 -5.286 1.00 0.00 C ATOM 682 OG SER A 64 2.615 -10.019 -4.703 1.00 0.00 O ATOM 0 H SER A 64 3.138 -7.819 -4.054 1.00 0.00 H new ATOM 0 HA SER A 64 0.374 -7.500 -4.811 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.721 -9.936 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.886 -8.839 -6.229 1.00 0.00 H new ATOM 0 HG SER A 64 2.898 -10.725 -5.321 1.00 0.00 H new ATOM 688 N ARG A 65 1.052 -8.970 -1.988 1.00 0.00 N ATOM 689 CA ARG A 65 0.510 -9.593 -0.766 1.00 0.00 C ATOM 690 C ARG A 65 0.906 -8.834 0.500 1.00 0.00 C ATOM 691 O ARG A 65 1.965 -8.206 0.553 1.00 0.00 O ATOM 692 CB ARG A 65 0.995 -11.053 -0.660 1.00 0.00 C ATOM 693 CG ARG A 65 0.632 -11.922 -1.874 1.00 0.00 C ATOM 694 CD ARG A 65 0.970 -13.402 -1.639 1.00 0.00 C ATOM 695 NE ARG A 65 2.427 -13.664 -1.591 1.00 0.00 N ATOM 696 CZ ARG A 65 3.015 -14.780 -1.193 1.00 0.00 C ATOM 697 NH1 ARG A 65 2.336 -15.801 -0.750 1.00 0.00 N ATOM 698 NH2 ARG A 65 4.309 -14.903 -1.229 1.00 0.00 N ATOM 0 H ARG A 65 2.021 -8.669 -1.881 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.577 -9.561 -0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.078 -11.057 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.568 -11.503 0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.432 -11.822 -2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.168 -11.562 -2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.517 -13.728 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.525 -14.001 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 65 3.039 -12.907 -1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.318 -15.755 -0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.823 -16.646 -0.451 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.885 -14.133 -1.568 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.748 -15.770 -0.919 1.00 0.00 H new ATOM 712 N MET A 66 0.106 -8.995 1.555 1.00 0.00 N ATOM 713 CA MET A 66 0.368 -8.456 2.899 1.00 0.00 C ATOM 714 C MET A 66 1.595 -9.098 3.581 1.00 0.00 C ATOM 715 O MET A 66 2.178 -8.515 4.493 1.00 0.00 O ATOM 716 CB MET A 66 -0.893 -8.642 3.759 1.00 0.00 C ATOM 717 CG MET A 66 -0.988 -7.605 4.879 1.00 0.00 C ATOM 718 SD MET A 66 -2.543 -7.708 5.807 1.00 0.00 S ATOM 719 CE MET A 66 -2.864 -5.942 6.050 1.00 0.00 C ATOM 0 H MET A 66 -0.768 -9.518 1.501 1.00 0.00 H new ATOM 0 HA MET A 66 0.606 -7.397 2.796 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.777 -8.571 3.125 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.891 -9.642 4.192 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.152 -7.741 5.565 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.891 -6.607 4.452 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.791 -5.814 6.609 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.040 -5.496 6.607 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.954 -5.452 5.081 1.00 0.00 H new ATOM 729 N GLY A 67 2.020 -10.282 3.122 1.00 0.00 N ATOM 730 CA GLY A 67 3.255 -10.935 3.565 1.00 0.00 C ATOM 731 C GLY A 67 4.520 -10.344 2.932 1.00 0.00 C ATOM 732 O GLY A 67 5.533 -10.203 3.611 1.00 0.00 O ATOM 0 H GLY A 67 1.507 -10.819 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.330 -10.856 4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.201 -11.997 3.326 1.00 0.00 H new ATOM 736 N GLU A 68 4.484 -9.973 1.647 1.00 0.00 N ATOM 737 CA GLU A 68 5.660 -9.502 0.891 1.00 0.00 C ATOM 738 C GLU A 68 6.227 -8.181 1.436 1.00 0.00 C ATOM 739 O GLU A 68 7.434 -8.063 1.662 1.00 0.00 O ATOM 740 CB GLU A 68 5.310 -9.347 -0.599 1.00 0.00 C ATOM 741 CG GLU A 68 5.017 -10.671 -1.323 1.00 0.00 C ATOM 742 CD GLU A 68 6.224 -11.615 -1.461 1.00 0.00 C ATOM 743 OE1 GLU A 68 7.382 -11.212 -1.201 1.00 0.00 O ATOM 744 OE2 GLU A 68 5.998 -12.795 -1.817 1.00 0.00 O ATOM 0 H GLU A 68 3.628 -9.990 1.092 1.00 0.00 H new ATOM 0 HA GLU A 68 6.435 -10.259 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.440 -8.697 -0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.136 -8.846 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.225 -11.194 -0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.634 -10.447 -2.319 1.00 0.00 H new ATOM 751 N CYS A 69 5.363 -7.201 1.720 1.00 0.00 N ATOM 752 CA CYS A 69 5.757 -5.956 2.389 1.00 0.00 C ATOM 753 C CYS A 69 6.369 -6.212 3.783 1.00 0.00 C ATOM 754 O CYS A 69 7.335 -5.548 4.161 1.00 0.00 O ATOM 755 CB CYS A 69 4.552 -5.001 2.433 1.00 0.00 C ATOM 756 SG CYS A 69 3.032 -5.693 3.134 1.00 0.00 S ATOM 0 H CYS A 69 4.370 -7.248 1.492 1.00 0.00 H new ATOM 0 HA CYS A 69 6.551 -5.480 1.813 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.830 -4.120 3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.342 -4.662 1.418 1.00 0.00 H new ATOM 761 N ALA A 70 5.884 -7.219 4.518 1.00 0.00 N ATOM 762 CA ALA A 70 6.406 -7.629 5.825 1.00 0.00 C ATOM 763 C ALA A 70 7.741 -8.416 5.767 1.00 0.00 C ATOM 764 O ALA A 70 8.420 -8.533 6.790 1.00 0.00 O ATOM 765 CB ALA A 70 5.314 -8.428 6.546 1.00 0.00 C ATOM 0 H ALA A 70 5.095 -7.787 4.210 1.00 0.00 H new ATOM 0 HA ALA A 70 6.657 -6.724 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.680 -8.745 7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.430 -7.803 6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.054 -9.306 5.954 1.00 0.00 H new ATOM 771 N ARG A 71 8.171 -8.915 4.593 1.00 0.00 N ATOM 772 CA ARG A 71 9.547 -9.430 4.377 1.00 0.00 C ATOM 773 C ARG A 71 10.590 -8.310 4.270 1.00 0.00 C ATOM 774 O ARG A 71 11.780 -8.548 4.468 1.00 0.00 O ATOM 775 CB ARG A 71 9.639 -10.311 3.115 1.00 0.00 C ATOM 776 CG ARG A 71 8.613 -11.452 3.103 1.00 0.00 C ATOM 777 CD ARG A 71 9.005 -12.623 2.196 1.00 0.00 C ATOM 778 NE ARG A 71 9.145 -12.225 0.782 1.00 0.00 N ATOM 779 CZ ARG A 71 10.143 -12.448 -0.051 1.00 0.00 C ATOM 780 NH1 ARG A 71 11.251 -13.038 0.301 1.00 0.00 N ATOM 781 NH2 ARG A 71 10.013 -12.068 -1.284 1.00 0.00 N ATOM 0 H ARG A 71 7.579 -8.975 3.765 1.00 0.00 H new ATOM 0 HA ARG A 71 9.769 -10.030 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.492 -9.688 2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.642 -10.731 3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.481 -11.820 4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.650 -11.059 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.946 -13.048 2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.252 -13.407 2.276 1.00 0.00 H new ATOM 0 HE ARG A 71 8.359 -11.704 0.394 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.378 -13.353 1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.991 -13.185 -0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.154 -11.609 -1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.769 -12.228 -1.949 1.00 0.00 H new ATOM 795 N ASN A 72 10.134 -7.099 3.948 1.00 0.00 N ATOM 796 CA ASN A 72 10.952 -5.918 3.666 1.00 0.00 C ATOM 797 C ASN A 72 10.955 -4.933 4.850 1.00 0.00 C ATOM 798 O ASN A 72 12.021 -4.584 5.363 1.00 0.00 O ATOM 799 CB ASN A 72 10.452 -5.284 2.354 1.00 0.00 C ATOM 800 CG ASN A 72 10.827 -6.125 1.142 1.00 0.00 C ATOM 801 OD1 ASN A 72 11.888 -5.963 0.557 1.00 0.00 O ATOM 802 ND2 ASN A 72 10.004 -7.068 0.735 1.00 0.00 N ATOM 0 H ASN A 72 9.135 -6.905 3.873 1.00 0.00 H new ATOM 0 HA ASN A 72 11.995 -6.207 3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.369 -5.169 2.396 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.875 -4.285 2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.254 -7.655 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.116 -7.212 1.216 1.00 0.00 H new ATOM 809 N CYS A 73 9.777 -4.495 5.299 1.00 0.00 N ATOM 810 CA CYS A 73 9.598 -3.671 6.499 1.00 0.00 C ATOM 811 C CYS A 73 9.738 -4.473 7.818 1.00 0.00 C ATOM 812 O CYS A 73 9.607 -5.700 7.813 1.00 0.00 O ATOM 813 CB CYS A 73 8.232 -2.974 6.401 1.00 0.00 C ATOM 814 SG CYS A 73 8.355 -1.332 5.649 1.00 0.00 S ATOM 0 H CYS A 73 8.898 -4.708 4.827 1.00 0.00 H new ATOM 0 HA CYS A 73 10.398 -2.931 6.536 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.552 -3.591 5.813 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.800 -2.884 7.397 1.00 0.00 H new ATOM 819 N PRO A 74 9.974 -3.798 8.965 1.00 0.00 N ATOM 820 CA PRO A 74 10.203 -4.446 10.266 1.00 0.00 C ATOM 821 C PRO A 74 8.935 -4.959 10.984 1.00 0.00 C ATOM 822 O PRO A 74 9.055 -5.633 12.011 1.00 0.00 O ATOM 823 CB PRO A 74 10.912 -3.379 11.109 1.00 0.00 C ATOM 824 CG PRO A 74 10.347 -2.071 10.567 1.00 0.00 C ATOM 825 CD PRO A 74 10.230 -2.364 9.074 1.00 0.00 C ATOM 0 HA PRO A 74 10.785 -5.356 10.119 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.700 -3.499 12.171 1.00 0.00 H new ATOM 0 HB3 PRO A 74 11.995 -3.428 10.993 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.381 -1.830 11.011 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.009 -1.228 10.766 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.421 -1.788 8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.145 -2.090 8.549 1.00 0.00 H new ATOM 833 N GLY A 75 7.733 -4.638 10.479 1.00 0.00 N ATOM 834 CA GLY A 75 6.422 -5.011 11.045 1.00 0.00 C ATOM 835 C GLY A 75 6.212 -6.518 11.238 1.00 0.00 C ATOM 836 O GLY A 75 6.362 -7.276 10.254 1.00 0.00 O ATOM 837 OXT GLY A 75 5.855 -6.926 12.367 1.00 0.00 O ATOM 0 H GLY A 75 7.642 -4.086 9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.303 -4.515 12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.638 -4.630 10.391 1.00 0.00 H new TER 841 GLY A 75