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 Set 1.1: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 48 MET CE :methyl 177:sc= -0.171 (180deg=-0.218) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.006) 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=-0.012) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.449 USER MOD Single : A 66 MET CE :methyl -149:sc= 0 (180deg=-0.173) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -10.255 7.353 22.120 1.00 0.00 N ATOM 2 CA GLY A 19 -9.541 7.405 23.414 1.00 0.00 C ATOM 3 C GLY A 19 -8.048 7.632 23.228 1.00 0.00 C ATOM 4 O GLY A 19 -7.489 7.323 22.175 1.00 0.00 O ATOM 0 HA2 GLY A 19 -9.957 8.205 24.026 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.702 6.473 23.956 1.00 0.00 H new ATOM 10 N ASP A 20 -7.379 8.175 24.247 1.00 0.00 N ATOM 11 CA ASP A 20 -5.936 8.465 24.248 1.00 0.00 C ATOM 12 C ASP A 20 -5.078 7.210 24.536 1.00 0.00 C ATOM 13 O ASP A 20 -4.866 6.842 25.697 1.00 0.00 O ATOM 14 CB ASP A 20 -5.656 9.595 25.254 1.00 0.00 C ATOM 15 CG ASP A 20 -4.167 9.986 25.311 1.00 0.00 C ATOM 16 OD1 ASP A 20 -3.516 10.071 24.242 1.00 0.00 O ATOM 17 OD2 ASP A 20 -3.648 10.241 26.425 1.00 0.00 O ATOM 0 H ASP A 20 -7.836 8.434 25.122 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.646 8.791 23.249 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.247 10.470 24.984 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.983 9.282 26.246 1.00 0.00 H new ATOM 22 N LYS A 21 -4.580 6.553 23.479 1.00 0.00 N ATOM 23 CA LYS A 21 -3.560 5.484 23.531 1.00 0.00 C ATOM 24 C LYS A 21 -2.562 5.574 22.367 1.00 0.00 C ATOM 25 O LYS A 21 -2.788 6.292 21.391 1.00 0.00 O ATOM 26 CB LYS A 21 -4.221 4.089 23.612 1.00 0.00 C ATOM 27 CG LYS A 21 -5.026 3.657 22.366 1.00 0.00 C ATOM 28 CD LYS A 21 -6.538 3.916 22.483 1.00 0.00 C ATOM 29 CE LYS A 21 -7.264 2.939 23.422 1.00 0.00 C ATOM 30 NZ LYS A 21 -7.372 1.571 22.844 1.00 0.00 N ATOM 0 H LYS A 21 -4.885 6.755 22.527 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.983 5.633 24.444 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.442 3.348 23.794 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.886 4.072 24.476 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.642 4.188 21.495 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.862 2.594 22.189 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.696 4.934 22.840 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.986 3.853 21.491 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.731 2.888 24.372 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.263 3.320 23.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.913 0.962 23.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.859 1.619 21.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.420 1.174 22.710 1.00 0.00 H new ATOM 44 N GLU A 22 -1.471 4.813 22.452 1.00 0.00 N ATOM 45 CA GLU A 22 -0.521 4.607 21.348 1.00 0.00 C ATOM 46 C GLU A 22 -1.115 3.687 20.261 1.00 0.00 C ATOM 47 O GLU A 22 -1.750 2.674 20.563 1.00 0.00 O ATOM 48 CB GLU A 22 0.782 3.989 21.886 1.00 0.00 C ATOM 49 CG GLU A 22 1.570 4.899 22.842 1.00 0.00 C ATOM 50 CD GLU A 22 2.126 6.149 22.132 1.00 0.00 C ATOM 51 OE1 GLU A 22 3.187 6.055 21.470 1.00 0.00 O ATOM 52 OE2 GLU A 22 1.511 7.238 22.235 1.00 0.00 O ATOM 0 H GLU A 22 -1.214 4.312 23.302 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.312 5.578 20.900 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.542 3.060 22.403 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.421 3.728 21.043 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.923 5.208 23.663 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.394 4.336 23.280 1.00 0.00 H new ATOM 59 N GLU A 23 -0.880 4.017 18.988 1.00 0.00 N ATOM 60 CA GLU A 23 -1.222 3.202 17.809 1.00 0.00 C ATOM 61 C GLU A 23 -0.253 3.473 16.638 1.00 0.00 C ATOM 62 O GLU A 23 0.508 4.445 16.670 1.00 0.00 O ATOM 63 CB GLU A 23 -2.690 3.446 17.398 1.00 0.00 C ATOM 64 CG GLU A 23 -2.991 4.874 16.917 1.00 0.00 C ATOM 65 CD GLU A 23 -4.493 5.046 16.614 1.00 0.00 C ATOM 66 OE1 GLU A 23 -4.951 4.625 15.523 1.00 0.00 O ATOM 67 OE2 GLU A 23 -5.230 5.607 17.462 1.00 0.00 O ATOM 0 H GLU A 23 -0.427 4.895 18.735 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.114 2.151 18.075 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.952 2.747 16.604 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.334 3.220 18.248 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.685 5.591 17.679 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.408 5.091 16.022 1.00 0.00 H new ATOM 74 N CYS A 24 -0.270 2.633 15.595 1.00 0.00 N ATOM 75 CA CYS A 24 0.545 2.847 14.393 1.00 0.00 C ATOM 76 C CYS A 24 -0.022 3.988 13.525 1.00 0.00 C ATOM 77 O CYS A 24 -1.175 3.929 13.085 1.00 0.00 O ATOM 78 CB CYS A 24 0.681 1.543 13.594 1.00 0.00 C ATOM 79 SG CYS A 24 2.047 1.607 12.399 1.00 0.00 S ATOM 0 H CYS A 24 -0.845 1.791 15.561 1.00 0.00 H new ATOM 0 HA CYS A 24 1.543 3.152 14.709 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.842 0.713 14.282 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.252 1.344 13.066 1.00 0.00 H new ATOM 84 N THR A 25 0.786 5.020 13.271 1.00 0.00 N ATOM 85 CA THR A 25 0.441 6.209 12.466 1.00 0.00 C ATOM 86 C THR A 25 1.442 6.443 11.326 1.00 0.00 C ATOM 87 O THR A 25 2.526 5.855 11.300 1.00 0.00 O ATOM 88 CB THR A 25 0.328 7.469 13.352 1.00 0.00 C ATOM 89 OG1 THR A 25 1.506 7.691 14.105 1.00 0.00 O ATOM 90 CG2 THR A 25 -0.831 7.371 14.346 1.00 0.00 C ATOM 0 H THR A 25 1.739 5.058 13.632 1.00 0.00 H new ATOM 0 HA THR A 25 -0.532 6.014 12.016 1.00 0.00 H new ATOM 0 HB THR A 25 0.160 8.293 12.659 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.398 8.497 14.652 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.872 8.279 14.948 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.768 7.254 13.802 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.680 6.510 14.998 1.00 0.00 H new ATOM 98 N VAL A 26 1.083 7.312 10.374 1.00 0.00 N ATOM 99 CA VAL A 26 1.861 7.633 9.161 1.00 0.00 C ATOM 100 C VAL A 26 1.914 9.159 8.978 1.00 0.00 C ATOM 101 O VAL A 26 0.850 9.790 8.982 1.00 0.00 O ATOM 102 CB VAL A 26 1.239 6.970 7.912 1.00 0.00 C ATOM 103 CG1 VAL A 26 2.110 7.188 6.668 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.047 5.456 8.084 1.00 0.00 C ATOM 0 H VAL A 26 0.208 7.834 10.425 1.00 0.00 H new ATOM 0 HA VAL A 26 2.872 7.243 9.281 1.00 0.00 H new ATOM 0 HB VAL A 26 0.267 7.447 7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.643 6.708 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.211 8.256 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.096 6.754 6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.607 5.040 7.178 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.013 4.985 8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.385 5.267 8.929 1.00 0.00 H new ATOM 114 N PRO A 27 3.100 9.785 8.836 1.00 0.00 N ATOM 115 CA PRO A 27 3.204 11.232 8.641 1.00 0.00 C ATOM 116 C PRO A 27 2.707 11.653 7.248 1.00 0.00 C ATOM 117 O PRO A 27 2.901 10.943 6.257 1.00 0.00 O ATOM 118 CB PRO A 27 4.687 11.558 8.850 1.00 0.00 C ATOM 119 CG PRO A 27 5.402 10.277 8.428 1.00 0.00 C ATOM 120 CD PRO A 27 4.424 9.175 8.839 1.00 0.00 C ATOM 0 HA PRO A 27 2.575 11.783 9.340 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.999 12.409 8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.899 11.811 9.889 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.599 10.261 7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.363 10.169 8.930 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.468 8.336 8.144 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.670 8.784 9.826 1.00 0.00 H new ATOM 128 N ILE A 28 2.105 12.844 7.152 1.00 0.00 N ATOM 129 CA ILE A 28 1.538 13.400 5.907 1.00 0.00 C ATOM 130 C ILE A 28 2.568 13.539 4.767 1.00 0.00 C ATOM 131 O ILE A 28 2.217 13.439 3.591 1.00 0.00 O ATOM 132 CB ILE A 28 0.812 14.734 6.210 1.00 0.00 C ATOM 133 CG1 ILE A 28 0.042 15.321 5.007 1.00 0.00 C ATOM 134 CG2 ILE A 28 1.774 15.814 6.740 1.00 0.00 C ATOM 135 CD1 ILE A 28 -1.077 14.411 4.483 1.00 0.00 C ATOM 0 H ILE A 28 1.993 13.466 7.953 1.00 0.00 H new ATOM 0 HA ILE A 28 0.809 12.681 5.532 1.00 0.00 H new ATOM 0 HB ILE A 28 0.087 14.466 6.979 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.388 16.280 5.296 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.746 15.518 4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.218 16.731 6.938 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.240 15.466 7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.546 16.011 5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.571 14.892 3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.652 13.460 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.803 14.234 5.276 1.00 0.00 H new ATOM 147 N GLY A 29 3.850 13.713 5.108 1.00 0.00 N ATOM 148 CA GLY A 29 4.957 13.864 4.159 1.00 0.00 C ATOM 149 C GLY A 29 5.550 12.551 3.619 1.00 0.00 C ATOM 150 O GLY A 29 6.517 12.603 2.855 1.00 0.00 O ATOM 0 H GLY A 29 4.154 13.754 6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.610 14.460 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.753 14.430 4.643 1.00 0.00 H new ATOM 154 N TRP A 30 5.023 11.379 4.004 1.00 0.00 N ATOM 155 CA TRP A 30 5.463 10.077 3.486 1.00 0.00 C ATOM 156 C TRP A 30 5.165 9.923 1.978 1.00 0.00 C ATOM 157 O TRP A 30 4.250 10.555 1.443 1.00 0.00 O ATOM 158 CB TRP A 30 4.788 8.969 4.308 1.00 0.00 C ATOM 159 CG TRP A 30 5.328 7.594 4.072 1.00 0.00 C ATOM 160 CD1 TRP A 30 4.873 6.732 3.137 1.00 0.00 C ATOM 161 CD2 TRP A 30 6.443 6.921 4.733 1.00 0.00 C ATOM 162 NE1 TRP A 30 5.631 5.575 3.163 1.00 0.00 N ATOM 163 CE2 TRP A 30 6.622 5.644 4.121 1.00 0.00 C ATOM 164 CE3 TRP A 30 7.336 7.270 5.771 1.00 0.00 C ATOM 165 CZ2 TRP A 30 7.641 4.761 4.510 1.00 0.00 C ATOM 166 CZ3 TRP A 30 8.363 6.390 6.171 1.00 0.00 C ATOM 167 CH2 TRP A 30 8.521 5.143 5.539 1.00 0.00 C ATOM 0 H TRP A 30 4.272 11.309 4.691 1.00 0.00 H new ATOM 0 HA TRP A 30 6.546 10.001 3.589 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.891 9.208 5.367 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.721 8.968 4.084 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.044 6.918 2.471 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.477 4.773 2.552 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.231 8.224 6.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.748 3.801 4.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 9.033 6.676 6.968 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.317 4.480 5.843 1.00 0.00 H new ATOM 178 N SER A 31 5.918 9.062 1.285 1.00 0.00 N ATOM 179 CA SER A 31 5.739 8.759 -0.145 1.00 0.00 C ATOM 180 C SER A 31 4.571 7.784 -0.379 1.00 0.00 C ATOM 181 O SER A 31 4.746 6.571 -0.522 1.00 0.00 O ATOM 182 CB SER A 31 7.057 8.241 -0.734 1.00 0.00 C ATOM 183 OG SER A 31 7.012 8.209 -2.154 1.00 0.00 O ATOM 0 H SER A 31 6.687 8.543 1.709 1.00 0.00 H new ATOM 0 HA SER A 31 5.472 9.678 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.879 8.879 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.260 7.240 -0.352 1.00 0.00 H new ATOM 0 HG SER A 31 7.866 7.876 -2.501 1.00 0.00 H new ATOM 189 N GLU A 32 3.348 8.314 -0.371 1.00 0.00 N ATOM 190 CA GLU A 32 2.114 7.590 -0.725 1.00 0.00 C ATOM 191 C GLU A 32 1.971 7.338 -2.250 1.00 0.00 C ATOM 192 O GLU A 32 2.516 8.100 -3.059 1.00 0.00 O ATOM 193 CB GLU A 32 0.871 8.305 -0.148 1.00 0.00 C ATOM 194 CG GLU A 32 0.882 9.843 -0.071 1.00 0.00 C ATOM 195 CD GLU A 32 1.025 10.550 -1.433 1.00 0.00 C ATOM 196 OE1 GLU A 32 0.026 10.623 -2.190 1.00 0.00 O ATOM 197 OE2 GLU A 32 2.114 11.102 -1.723 1.00 0.00 O ATOM 0 H GLU A 32 3.177 9.286 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 32 2.188 6.604 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.010 8.009 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.706 7.923 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.041 10.177 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.703 10.156 0.575 1.00 0.00 H new ATOM 204 N PRO A 33 1.238 6.285 -2.673 1.00 0.00 N ATOM 205 CA PRO A 33 0.968 6.003 -4.087 1.00 0.00 C ATOM 206 C PRO A 33 -0.119 6.918 -4.684 1.00 0.00 C ATOM 207 O PRO A 33 -0.854 7.597 -3.963 1.00 0.00 O ATOM 208 CB PRO A 33 0.533 4.536 -4.105 1.00 0.00 C ATOM 209 CG PRO A 33 -0.185 4.369 -2.769 1.00 0.00 C ATOM 210 CD PRO A 33 0.645 5.250 -1.834 1.00 0.00 C ATOM 0 HA PRO A 33 1.847 6.191 -4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.126 4.322 -4.946 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.387 3.864 -4.190 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.223 4.699 -2.822 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.197 3.329 -2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.020 5.689 -1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.416 4.666 -1.332 1.00 0.00 H new ATOM 218 N VAL A 34 -0.263 6.891 -6.016 1.00 0.00 N ATOM 219 CA VAL A 34 -1.253 7.675 -6.779 1.00 0.00 C ATOM 220 C VAL A 34 -2.321 6.777 -7.416 1.00 0.00 C ATOM 221 O VAL A 34 -2.015 5.727 -7.989 1.00 0.00 O ATOM 222 CB VAL A 34 -0.558 8.598 -7.801 1.00 0.00 C ATOM 223 CG1 VAL A 34 0.120 7.848 -8.953 1.00 0.00 C ATOM 224 CG2 VAL A 34 -1.527 9.629 -8.390 1.00 0.00 C ATOM 0 H VAL A 34 0.322 6.307 -6.613 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.783 8.322 -6.080 1.00 0.00 H new ATOM 0 HB VAL A 34 0.219 9.102 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.586 8.565 -9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.881 7.178 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.625 7.267 -9.497 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.998 10.259 -9.105 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.344 9.114 -8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.930 10.249 -7.589 1.00 0.00 H new ATOM 234 N LYS A 35 -3.588 7.185 -7.296 1.00 0.00 N ATOM 235 CA LYS A 35 -4.757 6.506 -7.878 1.00 0.00 C ATOM 236 C LYS A 35 -4.880 6.814 -9.379 1.00 0.00 C ATOM 237 O LYS A 35 -4.689 7.956 -9.798 1.00 0.00 O ATOM 238 CB LYS A 35 -6.014 6.974 -7.118 1.00 0.00 C ATOM 239 CG LYS A 35 -7.207 6.014 -7.271 1.00 0.00 C ATOM 240 CD LYS A 35 -8.548 6.678 -6.921 1.00 0.00 C ATOM 241 CE LYS A 35 -8.599 7.158 -5.462 1.00 0.00 C ATOM 242 NZ LYS A 35 -9.890 7.825 -5.149 1.00 0.00 N ATOM 0 H LYS A 35 -3.840 8.025 -6.774 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.644 5.426 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.773 7.078 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.302 7.962 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.244 5.647 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.056 5.147 -6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.716 7.525 -7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.358 5.970 -7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.457 6.309 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.777 7.850 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.889 8.136 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.014 8.650 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.672 7.157 -5.301 1.00 0.00 H new ATOM 256 N GLY A 36 -5.276 5.824 -10.179 1.00 0.00 N ATOM 257 CA GLY A 36 -5.554 5.971 -11.618 1.00 0.00 C ATOM 258 C GLY A 36 -6.974 6.448 -11.984 1.00 0.00 C ATOM 259 O GLY A 36 -7.236 6.700 -13.160 1.00 0.00 O ATOM 0 H GLY A 36 -5.417 4.872 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.836 6.676 -12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.378 5.010 -12.102 1.00 0.00 H new ATOM 263 N LEU A 37 -7.894 6.563 -11.010 1.00 0.00 N ATOM 264 CA LEU A 37 -9.317 6.956 -11.160 1.00 0.00 C ATOM 265 C LEU A 37 -10.143 6.057 -12.123 1.00 0.00 C ATOM 266 O LEU A 37 -11.219 6.435 -12.592 1.00 0.00 O ATOM 267 CB LEU A 37 -9.431 8.464 -11.495 1.00 0.00 C ATOM 268 CG LEU A 37 -9.194 9.430 -10.319 1.00 0.00 C ATOM 269 CD1 LEU A 37 -7.725 9.578 -9.921 1.00 0.00 C ATOM 270 CD2 LEU A 37 -9.700 10.815 -10.718 1.00 0.00 C ATOM 0 H LEU A 37 -7.655 6.374 -10.036 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.784 6.784 -10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.715 8.697 -12.283 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.425 8.653 -11.902 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.725 9.010 -9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.642 10.274 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.329 8.607 -9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.155 9.958 -10.769 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.540 11.512 -9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.158 11.161 -11.598 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.765 10.762 -10.946 1.00 0.00 H new ATOM 282 N CYS A 38 -9.639 4.859 -12.416 1.00 0.00 N ATOM 283 CA CYS A 38 -10.197 3.893 -13.373 1.00 0.00 C ATOM 284 C CYS A 38 -11.568 3.318 -12.948 1.00 0.00 C ATOM 285 O CYS A 38 -11.984 3.424 -11.790 1.00 0.00 O ATOM 286 CB CYS A 38 -9.189 2.744 -13.568 1.00 0.00 C ATOM 287 SG CYS A 38 -7.439 3.228 -13.585 1.00 0.00 S ATOM 0 H CYS A 38 -8.788 4.515 -11.972 1.00 0.00 H new ATOM 0 HA CYS A 38 -10.369 4.430 -14.306 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.338 2.015 -12.771 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.417 2.240 -14.507 1.00 0.00 H new ATOM 292 N LYS A 39 -12.245 2.630 -13.880 1.00 0.00 N ATOM 293 CA LYS A 39 -13.523 1.919 -13.652 1.00 0.00 C ATOM 294 C LYS A 39 -13.432 0.710 -12.702 1.00 0.00 C ATOM 295 O LYS A 39 -14.443 0.328 -12.109 1.00 0.00 O ATOM 296 CB LYS A 39 -14.143 1.526 -15.009 1.00 0.00 C ATOM 297 CG LYS A 39 -13.320 0.504 -15.815 1.00 0.00 C ATOM 298 CD LYS A 39 -13.954 0.256 -17.193 1.00 0.00 C ATOM 299 CE LYS A 39 -13.106 -0.670 -18.080 1.00 0.00 C ATOM 300 NZ LYS A 39 -13.109 -2.079 -17.602 1.00 0.00 N ATOM 0 H LYS A 39 -11.914 2.548 -14.841 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.175 2.619 -13.130 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.138 1.116 -14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.270 2.426 -15.610 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.300 0.869 -15.939 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.258 -0.435 -15.264 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.943 -0.182 -17.059 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.094 1.210 -17.701 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.485 -0.636 -19.101 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.081 -0.302 -18.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.523 -2.661 -18.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.723 -2.119 -16.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.083 -2.443 -17.600 1.00 0.00 H new ATOM 314 N ALA A 40 -12.245 0.118 -12.548 1.00 0.00 N ATOM 315 CA ALA A 40 -11.973 -1.037 -11.683 1.00 0.00 C ATOM 316 C ALA A 40 -11.323 -0.641 -10.338 1.00 0.00 C ATOM 317 O ALA A 40 -10.760 0.448 -10.196 1.00 0.00 O ATOM 318 CB ALA A 40 -11.085 -2.012 -12.469 1.00 0.00 C ATOM 0 H ALA A 40 -11.413 0.442 -13.041 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.918 -1.510 -11.415 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.865 -2.883 -11.851 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.605 -2.330 -13.373 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.153 -1.516 -12.742 1.00 0.00 H new ATOM 324 N ARG A 41 -11.368 -1.557 -9.357 1.00 0.00 N ATOM 325 CA ARG A 41 -10.796 -1.409 -8.005 1.00 0.00 C ATOM 326 C ARG A 41 -9.967 -2.643 -7.626 1.00 0.00 C ATOM 327 O ARG A 41 -10.511 -3.661 -7.195 1.00 0.00 O ATOM 328 CB ARG A 41 -11.900 -1.127 -6.964 1.00 0.00 C ATOM 329 CG ARG A 41 -12.724 0.138 -7.264 1.00 0.00 C ATOM 330 CD ARG A 41 -13.646 0.530 -6.097 1.00 0.00 C ATOM 331 NE ARG A 41 -14.550 -0.564 -5.679 1.00 0.00 N ATOM 332 CZ ARG A 41 -15.669 -0.971 -6.254 1.00 0.00 C ATOM 333 NH1 ARG A 41 -16.144 -0.412 -7.331 1.00 0.00 N ATOM 334 NH2 ARG A 41 -16.340 -1.966 -5.748 1.00 0.00 N ATOM 0 H ARG A 41 -11.823 -2.460 -9.488 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.126 -0.549 -8.011 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.571 -1.985 -6.918 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.442 -1.027 -5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.048 0.965 -7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.325 -0.027 -8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.036 0.834 -5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.242 1.395 -6.388 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.274 -1.070 -4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.649 0.369 -7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.011 -0.756 -7.744 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.003 -2.433 -4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.203 -2.278 -6.193 1.00 0.00 H new ATOM 348 N PHE A 42 -8.656 -2.563 -7.836 1.00 0.00 N ATOM 349 CA PHE A 42 -7.676 -3.590 -7.463 1.00 0.00 C ATOM 350 C PHE A 42 -7.312 -3.512 -5.965 1.00 0.00 C ATOM 351 O PHE A 42 -7.729 -2.589 -5.259 1.00 0.00 O ATOM 352 CB PHE A 42 -6.428 -3.428 -8.353 1.00 0.00 C ATOM 353 CG PHE A 42 -6.714 -3.262 -9.839 1.00 0.00 C ATOM 354 CD1 PHE A 42 -7.559 -4.167 -10.512 1.00 0.00 C ATOM 355 CD2 PHE A 42 -6.149 -2.185 -10.551 1.00 0.00 C ATOM 356 CE1 PHE A 42 -7.854 -3.985 -11.875 1.00 0.00 C ATOM 357 CE2 PHE A 42 -6.442 -2.003 -11.915 1.00 0.00 C ATOM 358 CZ PHE A 42 -7.297 -2.901 -12.575 1.00 0.00 C ATOM 0 H PHE A 42 -8.227 -1.754 -8.286 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.112 -4.576 -7.623 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.864 -2.561 -8.008 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.788 -4.299 -8.217 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.982 -5.005 -9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.488 -1.496 -10.047 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.508 -4.678 -12.383 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.010 -1.173 -12.454 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.526 -2.758 -13.621 1.00 0.00 H new ATOM 368 N THR A 43 -6.500 -4.463 -5.487 1.00 0.00 N ATOM 369 CA THR A 43 -5.957 -4.503 -4.113 1.00 0.00 C ATOM 370 C THR A 43 -4.434 -4.590 -4.159 1.00 0.00 C ATOM 371 O THR A 43 -3.890 -5.510 -4.777 1.00 0.00 O ATOM 372 CB THR A 43 -6.501 -5.691 -3.298 1.00 0.00 C ATOM 373 OG1 THR A 43 -7.903 -5.823 -3.445 1.00 0.00 O ATOM 374 CG2 THR A 43 -6.241 -5.505 -1.805 1.00 0.00 C ATOM 0 H THR A 43 -6.191 -5.250 -6.057 1.00 0.00 H new ATOM 0 HA THR A 43 -6.275 -3.585 -3.620 1.00 0.00 H new ATOM 0 HB THR A 43 -5.986 -6.573 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.217 -6.587 -2.917 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.637 -6.360 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.168 -5.427 -1.629 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.732 -4.595 -1.461 1.00 0.00 H new ATOM 382 N ARG A 44 -3.737 -3.643 -3.525 1.00 0.00 N ATOM 383 CA ARG A 44 -2.267 -3.577 -3.391 1.00 0.00 C ATOM 384 C ARG A 44 -1.858 -3.433 -1.923 1.00 0.00 C ATOM 385 O ARG A 44 -2.672 -3.026 -1.094 1.00 0.00 O ATOM 386 CB ARG A 44 -1.729 -2.389 -4.206 1.00 0.00 C ATOM 387 CG ARG A 44 -1.892 -2.483 -5.731 1.00 0.00 C ATOM 388 CD ARG A 44 -1.031 -3.568 -6.392 1.00 0.00 C ATOM 389 NE ARG A 44 -1.592 -4.922 -6.262 1.00 0.00 N ATOM 390 CZ ARG A 44 -0.992 -6.063 -6.533 1.00 0.00 C ATOM 391 NH1 ARG A 44 0.206 -6.112 -7.044 1.00 0.00 N ATOM 392 NH2 ARG A 44 -1.598 -7.184 -6.274 1.00 0.00 N ATOM 0 H ARG A 44 -4.200 -2.859 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.841 -4.505 -3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.230 -1.484 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.669 -2.272 -3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.940 -2.676 -5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.641 -1.518 -6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.912 -3.332 -7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.036 -3.551 -5.948 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.553 -4.984 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.710 -5.249 -7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.640 -7.014 -7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.532 -7.176 -5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.140 -8.071 -6.481 1.00 0.00 H new ATOM 406 N TYR A 45 -0.595 -3.712 -1.612 1.00 0.00 N ATOM 407 CA TYR A 45 -0.049 -3.697 -0.250 1.00 0.00 C ATOM 408 C TYR A 45 1.237 -2.854 -0.199 1.00 0.00 C ATOM 409 O TYR A 45 2.172 -3.089 -0.962 1.00 0.00 O ATOM 410 CB TYR A 45 0.159 -5.149 0.216 1.00 0.00 C ATOM 411 CG TYR A 45 -1.100 -6.006 0.153 1.00 0.00 C ATOM 412 CD1 TYR A 45 -2.115 -5.835 1.116 1.00 0.00 C ATOM 413 CD2 TYR A 45 -1.280 -6.944 -0.884 1.00 0.00 C ATOM 414 CE1 TYR A 45 -3.296 -6.603 1.048 1.00 0.00 C ATOM 415 CE2 TYR A 45 -2.458 -7.713 -0.955 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.469 -7.546 0.012 1.00 0.00 C ATOM 417 OH TYR A 45 -4.603 -8.296 -0.064 1.00 0.00 O ATOM 0 H TYR A 45 0.099 -3.962 -2.317 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.747 -3.224 0.440 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.931 -5.610 -0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.530 -5.141 1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.988 -5.113 1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.509 -7.074 -1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.069 -6.469 1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.586 -8.431 -1.751 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.550 -8.891 -0.841 1.00 0.00 H new ATOM 427 N TYR A 46 1.284 -1.842 0.670 1.00 0.00 N ATOM 428 CA TYR A 46 2.365 -0.849 0.734 1.00 0.00 C ATOM 429 C TYR A 46 2.888 -0.682 2.168 1.00 0.00 C ATOM 430 O TYR A 46 2.120 -0.401 3.088 1.00 0.00 O ATOM 431 CB TYR A 46 1.850 0.505 0.212 1.00 0.00 C ATOM 432 CG TYR A 46 1.601 0.610 -1.285 1.00 0.00 C ATOM 433 CD1 TYR A 46 0.351 0.255 -1.830 1.00 0.00 C ATOM 434 CD2 TYR A 46 2.594 1.161 -2.121 1.00 0.00 C ATOM 435 CE1 TYR A 46 0.079 0.488 -3.194 1.00 0.00 C ATOM 436 CE2 TYR A 46 2.331 1.383 -3.487 1.00 0.00 C ATOM 437 CZ TYR A 46 1.064 1.062 -4.024 1.00 0.00 C ATOM 438 OH TYR A 46 0.774 1.339 -5.325 1.00 0.00 O ATOM 0 H TYR A 46 0.556 -1.684 1.366 1.00 0.00 H new ATOM 0 HA TYR A 46 3.188 -1.201 0.112 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.919 0.737 0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.570 1.274 0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.401 -0.197 -1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.561 1.414 -1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.885 0.226 -3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.098 1.799 -4.124 1.00 0.00 H new ATOM 0 HH TYR A 46 1.560 1.732 -5.759 1.00 0.00 H new ATOM 448 N CYS A 47 4.200 -0.829 2.379 1.00 0.00 N ATOM 449 CA CYS A 47 4.836 -0.483 3.654 1.00 0.00 C ATOM 450 C CYS A 47 4.846 1.041 3.890 1.00 0.00 C ATOM 451 O CYS A 47 5.413 1.797 3.097 1.00 0.00 O ATOM 452 CB CYS A 47 6.253 -1.060 3.711 1.00 0.00 C ATOM 453 SG CYS A 47 7.085 -0.659 5.268 1.00 0.00 S ATOM 0 H CYS A 47 4.847 -1.188 1.677 1.00 0.00 H new ATOM 0 HA CYS A 47 4.247 -0.927 4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.209 -2.143 3.592 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.837 -0.671 2.877 1.00 0.00 H new ATOM 458 N MET A 48 4.248 1.485 5.001 1.00 0.00 N ATOM 459 CA MET A 48 4.141 2.903 5.390 1.00 0.00 C ATOM 460 C MET A 48 5.144 3.314 6.498 1.00 0.00 C ATOM 461 O MET A 48 5.024 4.393 7.081 1.00 0.00 O ATOM 462 CB MET A 48 2.688 3.223 5.782 1.00 0.00 C ATOM 463 CG MET A 48 1.646 2.824 4.724 1.00 0.00 C ATOM 464 SD MET A 48 1.894 3.456 3.035 1.00 0.00 S ATOM 465 CE MET A 48 1.744 5.240 3.315 1.00 0.00 C ATOM 0 H MET A 48 3.813 0.855 5.675 1.00 0.00 H new ATOM 0 HA MET A 48 4.417 3.503 4.523 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.455 2.712 6.716 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.603 4.293 5.974 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.612 1.736 4.676 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.668 3.158 5.070 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.925 5.771 2.381 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.741 5.469 3.674 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.476 5.554 4.059 1.00 0.00 H new ATOM 475 N GLY A 49 6.120 2.450 6.804 1.00 0.00 N ATOM 476 CA GLY A 49 7.198 2.655 7.783 1.00 0.00 C ATOM 477 C GLY A 49 7.521 1.372 8.552 1.00 0.00 C ATOM 478 O GLY A 49 8.506 0.695 8.260 1.00 0.00 O ATOM 0 H GLY A 49 6.183 1.538 6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.093 3.006 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.907 3.436 8.485 1.00 0.00 H new ATOM 482 N ASN A 50 6.656 1.021 9.505 1.00 0.00 N ATOM 483 CA ASN A 50 6.698 -0.217 10.300 1.00 0.00 C ATOM 484 C ASN A 50 5.375 -1.019 10.258 1.00 0.00 C ATOM 485 O ASN A 50 5.227 -2.008 10.978 1.00 0.00 O ATOM 486 CB ASN A 50 7.135 0.131 11.738 1.00 0.00 C ATOM 487 CG ASN A 50 6.076 0.900 12.513 1.00 0.00 C ATOM 488 OD1 ASN A 50 5.812 2.067 12.262 1.00 0.00 O ATOM 489 ND2 ASN A 50 5.436 0.282 13.478 1.00 0.00 N ATOM 0 H ASN A 50 5.868 1.617 9.759 1.00 0.00 H new ATOM 0 HA ASN A 50 7.432 -0.888 9.854 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.371 -0.789 12.272 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.050 0.722 11.700 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.722 0.775 14.014 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.652 -0.692 13.692 1.00 0.00 H new ATOM 496 N CYS A 51 4.422 -0.584 9.426 1.00 0.00 N ATOM 497 CA CYS A 51 3.092 -1.163 9.231 1.00 0.00 C ATOM 498 C CYS A 51 2.767 -1.205 7.728 1.00 0.00 C ATOM 499 O CYS A 51 2.732 -0.163 7.064 1.00 0.00 O ATOM 500 CB CYS A 51 2.062 -0.334 10.019 1.00 0.00 C ATOM 501 SG CYS A 51 2.342 -0.324 11.815 1.00 0.00 S ATOM 0 H CYS A 51 4.571 0.234 8.834 1.00 0.00 H new ATOM 0 HA CYS A 51 3.060 -2.186 9.605 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.080 0.692 9.653 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.065 -0.726 9.819 1.00 0.00 H new ATOM 506 N CYS A 52 2.567 -2.400 7.169 1.00 0.00 N ATOM 507 CA CYS A 52 2.090 -2.579 5.797 1.00 0.00 C ATOM 508 C CYS A 52 0.569 -2.348 5.713 1.00 0.00 C ATOM 509 O CYS A 52 -0.208 -2.990 6.424 1.00 0.00 O ATOM 510 CB CYS A 52 2.525 -3.954 5.281 1.00 0.00 C ATOM 511 SG CYS A 52 2.296 -4.187 3.498 1.00 0.00 S ATOM 0 H CYS A 52 2.733 -3.278 7.660 1.00 0.00 H new ATOM 0 HA CYS A 52 2.541 -1.831 5.144 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.577 -4.104 5.523 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.963 -4.723 5.811 1.00 0.00 H new ATOM 516 N LYS A 53 0.152 -1.395 4.871 1.00 0.00 N ATOM 517 CA LYS A 53 -1.231 -0.931 4.689 1.00 0.00 C ATOM 518 C LYS A 53 -1.766 -1.346 3.315 1.00 0.00 C ATOM 519 O LYS A 53 -1.068 -1.233 2.305 1.00 0.00 O ATOM 520 CB LYS A 53 -1.260 0.598 4.888 1.00 0.00 C ATOM 521 CG LYS A 53 -2.687 1.163 4.926 1.00 0.00 C ATOM 522 CD LYS A 53 -2.699 2.658 5.272 1.00 0.00 C ATOM 523 CE LYS A 53 -4.147 3.167 5.307 1.00 0.00 C ATOM 524 NZ LYS A 53 -4.221 4.600 5.693 1.00 0.00 N ATOM 0 H LYS A 53 0.805 -0.899 4.265 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.887 -1.394 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.749 0.849 5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.706 1.076 4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.164 1.010 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.275 0.615 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.222 2.822 6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.124 3.217 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.603 3.031 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.725 2.570 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.215 4.905 5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.809 4.726 6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.691 5.173 5.005 1.00 0.00 H new ATOM 538 N VAL A 54 -3.006 -1.831 3.274 1.00 0.00 N ATOM 539 CA VAL A 54 -3.719 -2.141 2.024 1.00 0.00 C ATOM 540 C VAL A 54 -4.216 -0.863 1.331 1.00 0.00 C ATOM 541 O VAL A 54 -4.645 0.089 1.986 1.00 0.00 O ATOM 542 CB VAL A 54 -4.861 -3.145 2.289 1.00 0.00 C ATOM 543 CG1 VAL A 54 -6.015 -2.580 3.124 1.00 0.00 C ATOM 544 CG2 VAL A 54 -5.439 -3.710 0.991 1.00 0.00 C ATOM 0 H VAL A 54 -3.554 -2.024 4.113 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.019 -2.615 1.335 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.385 -3.936 2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.774 -3.350 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.639 -2.261 4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.454 -1.727 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.240 -4.412 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.836 -2.896 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.654 -4.226 0.437 1.00 0.00 H new ATOM 554 N TYR A 55 -4.192 -0.858 -0.001 1.00 0.00 N ATOM 555 CA TYR A 55 -4.758 0.174 -0.873 1.00 0.00 C ATOM 556 C TYR A 55 -5.768 -0.462 -1.837 1.00 0.00 C ATOM 557 O TYR A 55 -5.505 -1.510 -2.431 1.00 0.00 O ATOM 558 CB TYR A 55 -3.638 0.916 -1.618 1.00 0.00 C ATOM 559 CG TYR A 55 -2.984 2.024 -0.808 1.00 0.00 C ATOM 560 CD1 TYR A 55 -2.067 1.718 0.218 1.00 0.00 C ATOM 561 CD2 TYR A 55 -3.309 3.369 -1.073 1.00 0.00 C ATOM 562 CE1 TYR A 55 -1.466 2.748 0.967 1.00 0.00 C ATOM 563 CE2 TYR A 55 -2.716 4.404 -0.323 1.00 0.00 C ATOM 564 CZ TYR A 55 -1.789 4.095 0.696 1.00 0.00 C ATOM 565 OH TYR A 55 -1.215 5.100 1.411 1.00 0.00 O ATOM 0 H TYR A 55 -3.755 -1.613 -0.530 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.289 0.912 -0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.874 0.197 -1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.046 1.342 -2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.824 0.687 0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.016 3.608 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.759 2.508 1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.971 5.433 -0.528 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.551 5.963 1.090 1.00 0.00 H new ATOM 575 N GLU A 56 -6.936 0.169 -1.970 1.00 0.00 N ATOM 576 CA GLU A 56 -8.120 -0.347 -2.671 1.00 0.00 C ATOM 577 C GLU A 56 -8.605 0.667 -3.719 1.00 0.00 C ATOM 578 O GLU A 56 -9.085 1.750 -3.378 1.00 0.00 O ATOM 579 CB GLU A 56 -9.239 -0.672 -1.666 1.00 0.00 C ATOM 580 CG GLU A 56 -8.877 -1.810 -0.701 1.00 0.00 C ATOM 581 CD GLU A 56 -10.058 -2.119 0.238 1.00 0.00 C ATOM 582 OE1 GLU A 56 -10.156 -1.496 1.325 1.00 0.00 O ATOM 583 OE2 GLU A 56 -10.904 -2.982 -0.102 1.00 0.00 O ATOM 0 H GLU A 56 -7.093 1.096 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.847 -1.268 -3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.472 0.223 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.142 -0.942 -2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.611 -2.703 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.002 -1.532 -0.114 1.00 0.00 H new ATOM 590 N GLY A 57 -8.435 0.340 -5.003 1.00 0.00 N ATOM 591 CA GLY A 57 -8.663 1.252 -6.129 1.00 0.00 C ATOM 592 C GLY A 57 -7.779 0.916 -7.330 1.00 0.00 C ATOM 593 O GLY A 57 -7.153 -0.143 -7.377 1.00 0.00 O ATOM 0 H GLY A 57 -8.128 -0.587 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.711 1.205 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.467 2.276 -5.811 1.00 0.00 H new ATOM 597 N CYS A 58 -7.725 1.800 -8.324 1.00 0.00 N ATOM 598 CA CYS A 58 -6.825 1.642 -9.468 1.00 0.00 C ATOM 599 C CYS A 58 -5.369 1.968 -9.081 1.00 0.00 C ATOM 600 O CYS A 58 -4.903 3.096 -9.259 1.00 0.00 O ATOM 601 CB CYS A 58 -7.332 2.473 -10.651 1.00 0.00 C ATOM 602 SG CYS A 58 -6.606 1.959 -12.233 1.00 0.00 S ATOM 0 H CYS A 58 -8.300 2.642 -8.361 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.824 0.599 -9.783 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -8.417 2.389 -10.710 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -7.103 3.524 -10.476 1.00 0.00 H new ATOM 607 N TYR A 59 -4.665 0.974 -8.533 1.00 0.00 N ATOM 608 CA TYR A 59 -3.256 1.022 -8.125 1.00 0.00 C ATOM 609 C TYR A 59 -2.490 -0.175 -8.713 1.00 0.00 C ATOM 610 O TYR A 59 -2.997 -1.300 -8.718 1.00 0.00 O ATOM 611 CB TYR A 59 -3.158 1.012 -6.589 1.00 0.00 C ATOM 612 CG TYR A 59 -3.793 2.200 -5.886 1.00 0.00 C ATOM 613 CD1 TYR A 59 -3.055 3.386 -5.701 1.00 0.00 C ATOM 614 CD2 TYR A 59 -5.108 2.108 -5.389 1.00 0.00 C ATOM 615 CE1 TYR A 59 -3.625 4.474 -5.011 1.00 0.00 C ATOM 616 CE2 TYR A 59 -5.686 3.199 -4.713 1.00 0.00 C ATOM 617 CZ TYR A 59 -4.944 4.382 -4.516 1.00 0.00 C ATOM 618 OH TYR A 59 -5.504 5.424 -3.842 1.00 0.00 O ATOM 0 H TYR A 59 -5.085 0.063 -8.351 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.808 1.941 -8.504 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.626 0.100 -6.218 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.105 0.967 -6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.050 3.461 -6.089 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.674 1.198 -5.527 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.053 5.378 -4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.699 3.130 -4.345 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.417 5.188 -3.575 1.00 0.00 H new ATOM 628 N THR A 60 -1.264 0.055 -9.190 1.00 0.00 N ATOM 629 CA THR A 60 -0.426 -0.942 -9.898 1.00 0.00 C ATOM 630 C THR A 60 0.991 -1.102 -9.326 1.00 0.00 C ATOM 631 O THR A 60 1.696 -2.047 -9.691 1.00 0.00 O ATOM 632 CB THR A 60 -0.326 -0.602 -11.397 1.00 0.00 C ATOM 633 OG1 THR A 60 0.167 0.715 -11.561 1.00 0.00 O ATOM 634 CG2 THR A 60 -1.678 -0.690 -12.109 1.00 0.00 C ATOM 0 H THR A 60 -0.806 0.961 -9.097 1.00 0.00 H new ATOM 0 HA THR A 60 -0.935 -1.894 -9.749 1.00 0.00 H new ATOM 0 HB THR A 60 0.349 -1.335 -11.838 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.230 0.924 -12.516 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.551 -0.441 -13.163 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.071 -1.703 -12.020 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.376 0.011 -11.652 1.00 0.00 H new ATOM 642 N GLY A 61 1.407 -0.227 -8.404 1.00 0.00 N ATOM 643 CA GLY A 61 2.681 -0.293 -7.677 1.00 0.00 C ATOM 644 C GLY A 61 2.587 -1.093 -6.370 1.00 0.00 C ATOM 645 O GLY A 61 1.585 -1.761 -6.102 1.00 0.00 O ATOM 0 H GLY A 61 0.844 0.579 -8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.436 -0.745 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.018 0.719 -7.453 1.00 0.00 H new ATOM 649 N GLY A 62 3.635 -1.028 -5.546 1.00 0.00 N ATOM 650 CA GLY A 62 3.685 -1.703 -4.244 1.00 0.00 C ATOM 651 C GLY A 62 3.867 -3.224 -4.336 1.00 0.00 C ATOM 652 O GLY A 62 4.159 -3.784 -5.398 1.00 0.00 O ATOM 0 H GLY A 62 4.481 -0.501 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.505 -1.284 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.765 -1.490 -3.700 1.00 0.00 H new ATOM 656 N TYR A 63 3.733 -3.894 -3.194 1.00 0.00 N ATOM 657 CA TYR A 63 3.831 -5.347 -3.046 1.00 0.00 C ATOM 658 C TYR A 63 2.499 -6.043 -3.381 1.00 0.00 C ATOM 659 O TYR A 63 1.413 -5.493 -3.168 1.00 0.00 O ATOM 660 CB TYR A 63 4.282 -5.663 -1.610 1.00 0.00 C ATOM 661 CG TYR A 63 5.672 -5.143 -1.285 1.00 0.00 C ATOM 662 CD1 TYR A 63 6.805 -5.917 -1.605 1.00 0.00 C ATOM 663 CD2 TYR A 63 5.836 -3.877 -0.689 1.00 0.00 C ATOM 664 CE1 TYR A 63 8.097 -5.438 -1.315 1.00 0.00 C ATOM 665 CE2 TYR A 63 7.126 -3.396 -0.389 1.00 0.00 C ATOM 666 CZ TYR A 63 8.260 -4.175 -0.703 1.00 0.00 C ATOM 667 OH TYR A 63 9.505 -3.700 -0.423 1.00 0.00 O ATOM 0 H TYR A 63 3.546 -3.422 -2.310 1.00 0.00 H new ATOM 0 HA TYR A 63 4.565 -5.732 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.568 -5.231 -0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.262 -6.742 -1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.682 -6.882 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.970 -3.273 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.963 -6.036 -1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.247 -2.431 0.081 1.00 0.00 H new ATOM 0 HH TYR A 63 9.432 -2.817 -0.004 1.00 0.00 H new ATOM 677 N SER A 64 2.580 -7.280 -3.885 1.00 0.00 N ATOM 678 CA SER A 64 1.402 -8.073 -4.280 1.00 0.00 C ATOM 679 C SER A 64 0.739 -8.844 -3.135 1.00 0.00 C ATOM 680 O SER A 64 -0.403 -9.281 -3.293 1.00 0.00 O ATOM 681 CB SER A 64 1.751 -9.043 -5.417 1.00 0.00 C ATOM 682 OG SER A 64 2.039 -8.316 -6.604 1.00 0.00 O ATOM 0 H SER A 64 3.466 -7.764 -4.032 1.00 0.00 H new ATOM 0 HA SER A 64 0.672 -7.338 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.610 -9.652 -5.136 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.920 -9.726 -5.592 1.00 0.00 H new ATOM 0 HG SER A 64 2.262 -8.941 -7.325 1.00 0.00 H new ATOM 688 N ARG A 65 1.402 -8.990 -1.976 1.00 0.00 N ATOM 689 CA ARG A 65 0.874 -9.649 -0.764 1.00 0.00 C ATOM 690 C ARG A 65 1.305 -8.925 0.515 1.00 0.00 C ATOM 691 O ARG A 65 2.391 -8.346 0.571 1.00 0.00 O ATOM 692 CB ARG A 65 1.373 -11.108 -0.721 1.00 0.00 C ATOM 693 CG ARG A 65 0.807 -12.009 -1.830 1.00 0.00 C ATOM 694 CD ARG A 65 -0.643 -12.437 -1.571 1.00 0.00 C ATOM 695 NE ARG A 65 -1.111 -13.370 -2.615 1.00 0.00 N ATOM 696 CZ ARG A 65 -2.106 -14.237 -2.535 1.00 0.00 C ATOM 697 NH1 ARG A 65 -2.839 -14.360 -1.465 1.00 0.00 N ATOM 698 NH2 ARG A 65 -2.386 -15.013 -3.545 1.00 0.00 N ATOM 0 H ARG A 65 2.352 -8.642 -1.850 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.215 -9.618 -0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.461 -11.109 -0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.115 -11.539 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.860 -11.481 -2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.431 -12.898 -1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.717 -12.912 -0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.287 -11.558 -1.548 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.608 -13.343 -3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.654 -13.775 -0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.598 -15.041 -1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.836 -14.953 -4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.155 -15.680 -3.478 1.00 0.00 H new ATOM 712 N MET A 66 0.505 -9.066 1.573 1.00 0.00 N ATOM 713 CA MET A 66 0.785 -8.560 2.927 1.00 0.00 C ATOM 714 C MET A 66 2.054 -9.175 3.561 1.00 0.00 C ATOM 715 O MET A 66 2.691 -8.561 4.417 1.00 0.00 O ATOM 716 CB MET A 66 -0.448 -8.834 3.808 1.00 0.00 C ATOM 717 CG MET A 66 -0.465 -8.015 5.105 1.00 0.00 C ATOM 718 SD MET A 66 -0.697 -6.226 4.885 1.00 0.00 S ATOM 719 CE MET A 66 -2.496 -6.170 4.657 1.00 0.00 C ATOM 0 H MET A 66 -0.389 -9.553 1.513 1.00 0.00 H new ATOM 0 HA MET A 66 0.983 -7.491 2.854 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.350 -8.614 3.236 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.479 -9.895 4.057 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.263 -8.393 5.745 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.473 -8.182 5.634 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.754 -5.339 4.000 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.835 -7.105 4.211 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.981 -6.032 5.623 1.00 0.00 H new ATOM 729 N GLY A 67 2.458 -10.374 3.123 1.00 0.00 N ATOM 730 CA GLY A 67 3.696 -11.031 3.559 1.00 0.00 C ATOM 731 C GLY A 67 4.962 -10.558 2.828 1.00 0.00 C ATOM 732 O GLY A 67 6.060 -10.688 3.368 1.00 0.00 O ATOM 0 H GLY A 67 1.927 -10.922 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.825 -10.862 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.591 -12.107 3.417 1.00 0.00 H new ATOM 736 N GLU A 68 4.839 -9.997 1.620 1.00 0.00 N ATOM 737 CA GLU A 68 5.985 -9.577 0.795 1.00 0.00 C ATOM 738 C GLU A 68 6.584 -8.236 1.253 1.00 0.00 C ATOM 739 O GLU A 68 7.806 -8.099 1.315 1.00 0.00 O ATOM 740 CB GLU A 68 5.586 -9.519 -0.689 1.00 0.00 C ATOM 741 CG GLU A 68 5.377 -10.904 -1.317 1.00 0.00 C ATOM 742 CD GLU A 68 6.706 -11.663 -1.509 1.00 0.00 C ATOM 743 OE1 GLU A 68 7.400 -11.427 -2.528 1.00 0.00 O ATOM 744 OE2 GLU A 68 7.059 -12.504 -0.649 1.00 0.00 O ATOM 0 H GLU A 68 3.936 -9.819 1.181 1.00 0.00 H new ATOM 0 HA GLU A 68 6.764 -10.328 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.668 -8.940 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.359 -8.989 -1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.713 -11.492 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.881 -10.793 -2.281 1.00 0.00 H new ATOM 751 N CYS A 69 5.752 -7.266 1.655 1.00 0.00 N ATOM 752 CA CYS A 69 6.224 -6.031 2.295 1.00 0.00 C ATOM 753 C CYS A 69 7.017 -6.309 3.589 1.00 0.00 C ATOM 754 O CYS A 69 8.059 -5.692 3.828 1.00 0.00 O ATOM 755 CB CYS A 69 5.048 -5.068 2.538 1.00 0.00 C ATOM 756 SG CYS A 69 3.475 -5.792 3.076 1.00 0.00 S ATOM 0 H CYS A 69 4.739 -7.314 1.547 1.00 0.00 H new ATOM 0 HA CYS A 69 6.921 -5.548 1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.358 -4.340 3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.867 -4.517 1.615 1.00 0.00 H new ATOM 761 N ALA A 70 6.576 -7.284 4.392 1.00 0.00 N ATOM 762 CA ALA A 70 7.225 -7.709 5.637 1.00 0.00 C ATOM 763 C ALA A 70 8.585 -8.432 5.453 1.00 0.00 C ATOM 764 O ALA A 70 9.299 -8.644 6.437 1.00 0.00 O ATOM 765 CB ALA A 70 6.231 -8.588 6.406 1.00 0.00 C ATOM 0 H ALA A 70 5.730 -7.816 4.186 1.00 0.00 H new ATOM 0 HA ALA A 70 7.482 -6.809 6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.686 -8.921 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.331 -8.013 6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.969 -9.456 5.801 1.00 0.00 H new ATOM 771 N ARG A 71 8.983 -8.793 4.219 1.00 0.00 N ATOM 772 CA ARG A 71 10.349 -9.273 3.903 1.00 0.00 C ATOM 773 C ARG A 71 11.391 -8.161 4.061 1.00 0.00 C ATOM 774 O ARG A 71 12.494 -8.400 4.550 1.00 0.00 O ATOM 775 CB ARG A 71 10.430 -9.809 2.460 1.00 0.00 C ATOM 776 CG ARG A 71 9.464 -10.959 2.133 1.00 0.00 C ATOM 777 CD ARG A 71 9.742 -12.261 2.893 1.00 0.00 C ATOM 778 NE ARG A 71 11.054 -12.843 2.540 1.00 0.00 N ATOM 779 CZ ARG A 71 11.673 -13.847 3.135 1.00 0.00 C ATOM 780 NH1 ARG A 71 11.159 -14.473 4.157 1.00 0.00 N ATOM 781 NH2 ARG A 71 12.836 -14.250 2.709 1.00 0.00 N ATOM 0 H ARG A 71 8.367 -8.761 3.407 1.00 0.00 H new ATOM 0 HA ARG A 71 10.565 -10.074 4.610 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.235 -8.986 1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.449 -10.147 2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.447 -10.635 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.510 -11.161 1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.708 -12.068 3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.955 -12.983 2.674 1.00 0.00 H new ATOM 0 HE ARG A 71 11.537 -12.421 1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.249 -14.192 4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.667 -15.244 4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.274 -13.790 1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.308 -15.026 3.173 1.00 0.00 H new ATOM 795 N ASN A 72 11.031 -6.956 3.616 1.00 0.00 N ATOM 796 CA ASN A 72 11.886 -5.768 3.576 1.00 0.00 C ATOM 797 C ASN A 72 11.706 -4.888 4.825 1.00 0.00 C ATOM 798 O ASN A 72 12.688 -4.542 5.487 1.00 0.00 O ATOM 799 CB ASN A 72 11.588 -4.993 2.280 1.00 0.00 C ATOM 800 CG ASN A 72 12.068 -5.740 1.047 1.00 0.00 C ATOM 801 OD1 ASN A 72 13.233 -5.684 0.676 1.00 0.00 O ATOM 802 ND2 ASN A 72 11.205 -6.470 0.375 1.00 0.00 N ATOM 0 H ASN A 72 10.094 -6.773 3.258 1.00 0.00 H new ATOM 0 HA ASN A 72 12.931 -6.077 3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.515 -4.816 2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.070 -4.016 2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.508 -6.986 -0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.233 -6.520 0.680 1.00 0.00 H new ATOM 809 N CYS A 73 10.465 -4.514 5.146 1.00 0.00 N ATOM 810 CA CYS A 73 10.133 -3.693 6.314 1.00 0.00 C ATOM 811 C CYS A 73 10.179 -4.478 7.647 1.00 0.00 C ATOM 812 O CYS A 73 10.074 -5.709 7.643 1.00 0.00 O ATOM 813 CB CYS A 73 8.761 -3.051 6.067 1.00 0.00 C ATOM 814 SG CYS A 73 8.908 -1.526 5.100 1.00 0.00 S ATOM 0 H CYS A 73 9.649 -4.777 4.593 1.00 0.00 H new ATOM 0 HA CYS A 73 10.893 -2.920 6.429 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.117 -3.756 5.541 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.282 -2.833 7.022 1.00 0.00 H new ATOM 819 N PRO A 74 10.306 -3.788 8.803 1.00 0.00 N ATOM 820 CA PRO A 74 10.416 -4.424 10.123 1.00 0.00 C ATOM 821 C PRO A 74 9.089 -4.999 10.662 1.00 0.00 C ATOM 822 O PRO A 74 9.091 -5.713 11.670 1.00 0.00 O ATOM 823 CB PRO A 74 10.967 -3.324 11.039 1.00 0.00 C ATOM 824 CG PRO A 74 10.403 -2.045 10.429 1.00 0.00 C ATOM 825 CD PRO A 74 10.457 -2.341 8.932 1.00 0.00 C ATOM 0 HA PRO A 74 11.064 -5.299 10.069 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.639 -3.457 12.070 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.057 -3.318 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.386 -1.848 10.767 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.001 -1.172 10.692 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.662 -1.817 8.402 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.401 -2.007 8.502 1.00 0.00 H new ATOM 833 N GLY A 75 7.960 -4.710 10.001 1.00 0.00 N ATOM 834 CA GLY A 75 6.599 -5.170 10.314 1.00 0.00 C ATOM 835 C GLY A 75 5.590 -4.852 9.206 1.00 0.00 C ATOM 836 O GLY A 75 4.447 -5.349 9.302 1.00 0.00 O ATOM 837 OXT GLY A 75 5.951 -4.123 8.253 1.00 0.00 O ATOM 0 H GLY A 75 7.974 -4.108 9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.616 -6.246 10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.269 -4.705 11.243 1.00 0.00 H new TER 841 GLY A 75