USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 MET CE :methyl 180:sc= -0.059 (180deg=-0.0574) USER MOD Set 1.2: A 55 TYR OH : rot 30:sc=-0.000957 USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.433) 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=-0.017) 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 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -174:sc= 0 (180deg=-0.0511) USER MOD Single : A 72 ASN : amide:sc= 0.00714 X(o=0.0071,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 14.054 1.425 23.826 1.00 0.00 N ATOM 2 CA GLY A 19 13.768 2.238 22.625 1.00 0.00 C ATOM 3 C GLY A 19 12.860 1.472 21.680 1.00 0.00 C ATOM 4 O GLY A 19 13.333 0.616 20.933 1.00 0.00 O ATOM 0 HA2 GLY A 19 13.295 3.176 22.916 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.699 2.494 22.119 1.00 0.00 H new ATOM 10 N ASP A 20 11.553 1.744 21.729 1.00 0.00 N ATOM 11 CA ASP A 20 10.494 0.949 21.089 1.00 0.00 C ATOM 12 C ASP A 20 9.453 1.879 20.434 1.00 0.00 C ATOM 13 O ASP A 20 8.589 2.440 21.115 1.00 0.00 O ATOM 14 CB ASP A 20 9.846 0.014 22.130 1.00 0.00 C ATOM 15 CG ASP A 20 10.833 -1.010 22.721 1.00 0.00 C ATOM 16 OD1 ASP A 20 11.583 -0.658 23.667 1.00 0.00 O ATOM 17 OD2 ASP A 20 10.850 -2.177 22.262 1.00 0.00 O ATOM 0 H ASP A 20 11.187 2.552 22.233 1.00 0.00 H new ATOM 0 HA ASP A 20 10.925 0.331 20.301 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.428 0.614 22.938 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.016 -0.517 21.665 1.00 0.00 H new ATOM 22 N LYS A 21 9.570 2.086 19.116 1.00 0.00 N ATOM 23 CA LYS A 21 8.794 3.055 18.309 1.00 0.00 C ATOM 24 C LYS A 21 8.189 2.459 17.025 1.00 0.00 C ATOM 25 O LYS A 21 7.568 3.177 16.244 1.00 0.00 O ATOM 26 CB LYS A 21 9.667 4.291 18.008 1.00 0.00 C ATOM 27 CG LYS A 21 10.052 5.057 19.288 1.00 0.00 C ATOM 28 CD LYS A 21 10.661 6.449 19.043 1.00 0.00 C ATOM 29 CE LYS A 21 12.111 6.441 18.532 1.00 0.00 C ATOM 30 NZ LYS A 21 12.212 6.235 17.061 1.00 0.00 N ATOM 0 H LYS A 21 10.238 1.561 18.551 1.00 0.00 H new ATOM 0 HA LYS A 21 7.933 3.352 18.907 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.572 3.977 17.489 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.129 4.959 17.335 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.164 5.168 19.910 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.765 4.457 19.854 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.040 6.979 18.321 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.622 7.015 19.974 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.587 7.386 18.794 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.665 5.653 19.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.086 6.674 16.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.228 5.216 16.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.392 6.671 16.592 1.00 0.00 H new ATOM 44 N GLU A 22 8.324 1.151 16.814 1.00 0.00 N ATOM 45 CA GLU A 22 7.871 0.371 15.643 1.00 0.00 C ATOM 46 C GLU A 22 6.330 0.255 15.479 1.00 0.00 C ATOM 47 O GLU A 22 5.838 -0.591 14.731 1.00 0.00 O ATOM 48 CB GLU A 22 8.512 -1.034 15.674 1.00 0.00 C ATOM 49 CG GLU A 22 10.050 -1.040 15.701 1.00 0.00 C ATOM 50 CD GLU A 22 10.618 -0.987 17.133 1.00 0.00 C ATOM 51 OE1 GLU A 22 10.741 -2.053 17.782 1.00 0.00 O ATOM 52 OE2 GLU A 22 10.921 0.127 17.622 1.00 0.00 O ATOM 0 H GLU A 22 8.786 0.557 17.502 1.00 0.00 H new ATOM 0 HA GLU A 22 8.204 0.934 14.771 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.145 -1.566 16.552 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.176 -1.591 14.800 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.415 -1.938 15.202 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.423 -0.187 15.134 1.00 0.00 H new ATOM 59 N GLU A 23 5.547 1.074 16.184 1.00 0.00 N ATOM 60 CA GLU A 23 4.080 1.120 16.129 1.00 0.00 C ATOM 61 C GLU A 23 3.545 1.497 14.732 1.00 0.00 C ATOM 62 O GLU A 23 4.182 2.228 13.968 1.00 0.00 O ATOM 63 CB GLU A 23 3.549 2.133 17.159 1.00 0.00 C ATOM 64 CG GLU A 23 3.957 1.800 18.600 1.00 0.00 C ATOM 65 CD GLU A 23 3.274 2.755 19.599 1.00 0.00 C ATOM 66 OE1 GLU A 23 3.798 3.869 19.838 1.00 0.00 O ATOM 67 OE2 GLU A 23 2.207 2.394 20.156 1.00 0.00 O ATOM 0 H GLU A 23 5.933 1.754 16.839 1.00 0.00 H new ATOM 0 HA GLU A 23 3.726 0.115 16.358 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.917 3.127 16.905 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.461 2.170 17.095 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.685 0.770 18.831 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.040 1.874 18.702 1.00 0.00 H new ATOM 74 N CYS A 24 2.332 1.035 14.418 1.00 0.00 N ATOM 75 CA CYS A 24 1.634 1.341 13.167 1.00 0.00 C ATOM 76 C CYS A 24 1.093 2.785 13.154 1.00 0.00 C ATOM 77 O CYS A 24 0.079 3.087 13.791 1.00 0.00 O ATOM 78 CB CYS A 24 0.521 0.307 12.935 1.00 0.00 C ATOM 79 SG CYS A 24 -0.114 0.289 11.236 1.00 0.00 S ATOM 0 H CYS A 24 1.798 0.426 15.038 1.00 0.00 H new ATOM 0 HA CYS A 24 2.344 1.276 12.343 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.901 -0.684 13.182 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.302 0.513 13.619 1.00 0.00 H new ATOM 84 N THR A 25 1.771 3.688 12.440 1.00 0.00 N ATOM 85 CA THR A 25 1.352 5.087 12.227 1.00 0.00 C ATOM 86 C THR A 25 1.699 5.575 10.814 1.00 0.00 C ATOM 87 O THR A 25 2.608 5.045 10.172 1.00 0.00 O ATOM 88 CB THR A 25 1.951 6.006 13.307 1.00 0.00 C ATOM 89 OG1 THR A 25 1.433 7.313 13.171 1.00 0.00 O ATOM 90 CG2 THR A 25 3.481 6.096 13.287 1.00 0.00 C ATOM 0 H THR A 25 2.653 3.465 11.978 1.00 0.00 H new ATOM 0 HA THR A 25 0.266 5.127 12.317 1.00 0.00 H new ATOM 0 HB THR A 25 1.667 5.553 14.257 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.818 7.891 13.863 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.817 6.764 14.080 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.906 5.104 13.443 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.810 6.484 12.323 1.00 0.00 H new ATOM 98 N VAL A 26 0.962 6.579 10.325 1.00 0.00 N ATOM 99 CA VAL A 26 1.102 7.185 8.987 1.00 0.00 C ATOM 100 C VAL A 26 0.901 8.710 9.080 1.00 0.00 C ATOM 101 O VAL A 26 -0.240 9.182 9.013 1.00 0.00 O ATOM 102 CB VAL A 26 0.134 6.559 7.955 1.00 0.00 C ATOM 103 CG1 VAL A 26 0.483 7.046 6.541 1.00 0.00 C ATOM 104 CG2 VAL A 26 0.173 5.024 7.948 1.00 0.00 C ATOM 0 H VAL A 26 0.218 7.013 10.871 1.00 0.00 H new ATOM 0 HA VAL A 26 2.111 6.978 8.631 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.867 6.876 8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.204 6.599 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.397 8.132 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.504 6.753 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.528 4.646 7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.180 4.687 7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.106 4.648 8.933 1.00 0.00 H new ATOM 114 N PRO A 27 1.970 9.504 9.281 1.00 0.00 N ATOM 115 CA PRO A 27 1.875 10.964 9.346 1.00 0.00 C ATOM 116 C PRO A 27 1.647 11.595 7.959 1.00 0.00 C ATOM 117 O PRO A 27 1.924 10.987 6.920 1.00 0.00 O ATOM 118 CB PRO A 27 3.204 11.413 9.963 1.00 0.00 C ATOM 119 CG PRO A 27 4.190 10.346 9.489 1.00 0.00 C ATOM 120 CD PRO A 27 3.346 9.071 9.475 1.00 0.00 C ATOM 0 HA PRO A 27 1.018 11.286 9.938 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.491 12.407 9.620 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.149 11.455 11.051 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.588 10.576 8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.042 10.257 10.163 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.662 8.403 8.674 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.454 8.521 10.410 1.00 0.00 H new ATOM 128 N ILE A 28 1.180 12.848 7.939 1.00 0.00 N ATOM 129 CA ILE A 28 1.082 13.664 6.718 1.00 0.00 C ATOM 130 C ILE A 28 2.476 13.926 6.113 1.00 0.00 C ATOM 131 O ILE A 28 3.475 14.038 6.830 1.00 0.00 O ATOM 132 CB ILE A 28 0.281 14.961 7.001 1.00 0.00 C ATOM 133 CG1 ILE A 28 -0.095 15.676 5.684 1.00 0.00 C ATOM 134 CG2 ILE A 28 1.020 15.909 7.964 1.00 0.00 C ATOM 135 CD1 ILE A 28 -1.172 16.756 5.851 1.00 0.00 C ATOM 0 H ILE A 28 0.856 13.331 8.777 1.00 0.00 H new ATOM 0 HA ILE A 28 0.527 13.111 5.960 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.641 14.665 7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.800 16.131 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.446 14.934 4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.417 16.802 8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.188 15.403 8.915 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.979 16.194 7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.382 17.213 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.082 16.304 6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.817 17.520 6.543 1.00 0.00 H new ATOM 147 N GLY A 29 2.552 14.017 4.783 1.00 0.00 N ATOM 148 CA GLY A 29 3.791 14.272 4.035 1.00 0.00 C ATOM 149 C GLY A 29 4.647 13.030 3.734 1.00 0.00 C ATOM 150 O GLY A 29 5.703 13.163 3.109 1.00 0.00 O ATOM 0 H GLY A 29 1.736 13.913 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.533 14.752 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.396 14.982 4.599 1.00 0.00 H new ATOM 154 N TRP A 30 4.219 11.828 4.142 1.00 0.00 N ATOM 155 CA TRP A 30 4.828 10.556 3.722 1.00 0.00 C ATOM 156 C TRP A 30 4.701 10.343 2.197 1.00 0.00 C ATOM 157 O TRP A 30 3.776 10.858 1.559 1.00 0.00 O ATOM 158 CB TRP A 30 4.177 9.403 4.505 1.00 0.00 C ATOM 159 CG TRP A 30 4.744 8.041 4.230 1.00 0.00 C ATOM 160 CD1 TRP A 30 4.317 7.203 3.258 1.00 0.00 C ATOM 161 CD2 TRP A 30 5.851 7.352 4.892 1.00 0.00 C ATOM 162 NE1 TRP A 30 5.093 6.059 3.251 1.00 0.00 N ATOM 163 CE2 TRP A 30 6.051 6.096 4.242 1.00 0.00 C ATOM 164 CE3 TRP A 30 6.713 7.660 5.967 1.00 0.00 C ATOM 165 CZ2 TRP A 30 7.051 5.193 4.636 1.00 0.00 C ATOM 166 CZ3 TRP A 30 7.718 6.760 6.375 1.00 0.00 C ATOM 167 CH2 TRP A 30 7.890 5.530 5.712 1.00 0.00 C ATOM 0 H TRP A 30 3.432 11.709 4.780 1.00 0.00 H new ATOM 0 HA TRP A 30 5.895 10.583 3.945 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.273 9.610 5.571 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.111 9.388 4.278 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.493 7.398 2.588 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.972 5.286 2.596 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.600 8.601 6.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.174 4.252 4.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.362 7.016 7.203 1.00 0.00 H new ATOM 0 HH2 TRP A 30 8.664 4.847 6.029 1.00 0.00 H new ATOM 178 N SER A 31 5.606 9.555 1.607 1.00 0.00 N ATOM 179 CA SER A 31 5.601 9.185 0.181 1.00 0.00 C ATOM 180 C SER A 31 4.552 8.098 -0.128 1.00 0.00 C ATOM 181 O SER A 31 4.859 6.939 -0.415 1.00 0.00 O ATOM 182 CB SER A 31 7.016 8.779 -0.248 1.00 0.00 C ATOM 183 OG SER A 31 7.146 8.762 -1.664 1.00 0.00 O ATOM 0 H SER A 31 6.386 9.143 2.120 1.00 0.00 H new ATOM 0 HA SER A 31 5.304 10.053 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.740 9.475 0.177 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.250 7.792 0.152 1.00 0.00 H new ATOM 0 HG SER A 31 8.059 8.501 -1.906 1.00 0.00 H new ATOM 189 N GLU A 32 3.277 8.474 -0.028 1.00 0.00 N ATOM 190 CA GLU A 32 2.117 7.657 -0.416 1.00 0.00 C ATOM 191 C GLU A 32 2.027 7.435 -1.948 1.00 0.00 C ATOM 192 O GLU A 32 2.537 8.257 -2.723 1.00 0.00 O ATOM 193 CB GLU A 32 0.824 8.300 0.130 1.00 0.00 C ATOM 194 CG GLU A 32 0.576 9.741 -0.349 1.00 0.00 C ATOM 195 CD GLU A 32 -0.790 10.288 0.119 1.00 0.00 C ATOM 196 OE1 GLU A 32 -1.119 10.191 1.326 1.00 0.00 O ATOM 197 OE2 GLU A 32 -1.538 10.853 -0.717 1.00 0.00 O ATOM 0 H GLU A 32 3.009 9.388 0.338 1.00 0.00 H new ATOM 0 HA GLU A 32 2.245 6.669 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.025 7.682 -0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.862 8.294 1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.371 10.387 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.624 9.773 -1.437 1.00 0.00 H new ATOM 204 N PRO A 33 1.366 6.356 -2.418 1.00 0.00 N ATOM 205 CA PRO A 33 1.120 6.123 -3.845 1.00 0.00 C ATOM 206 C PRO A 33 0.016 7.033 -4.421 1.00 0.00 C ATOM 207 O PRO A 33 -0.659 7.766 -3.691 1.00 0.00 O ATOM 208 CB PRO A 33 0.739 4.643 -3.928 1.00 0.00 C ATOM 209 CG PRO A 33 0.032 4.387 -2.599 1.00 0.00 C ATOM 210 CD PRO A 33 0.838 5.247 -1.628 1.00 0.00 C ATOM 0 HA PRO A 33 1.998 6.363 -4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.085 4.443 -4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.617 4.008 -4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.016 4.685 -2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.055 3.333 -2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.210 5.611 -0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.645 4.672 -1.174 1.00 0.00 H new ATOM 218 N VAL A 34 -0.200 6.956 -5.740 1.00 0.00 N ATOM 219 CA VAL A 34 -1.262 7.673 -6.475 1.00 0.00 C ATOM 220 C VAL A 34 -2.286 6.700 -7.070 1.00 0.00 C ATOM 221 O VAL A 34 -1.928 5.635 -7.582 1.00 0.00 O ATOM 222 CB VAL A 34 -0.658 8.615 -7.538 1.00 0.00 C ATOM 223 CG1 VAL A 34 -0.083 7.877 -8.754 1.00 0.00 C ATOM 224 CG2 VAL A 34 -1.675 9.652 -8.030 1.00 0.00 C ATOM 0 H VAL A 34 0.376 6.375 -6.349 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.804 8.298 -5.765 1.00 0.00 H new ATOM 0 HB VAL A 34 0.163 9.116 -7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.324 8.601 -9.460 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.709 7.202 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.873 7.303 -9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.208 10.294 -8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.530 9.141 -8.474 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.012 10.259 -7.189 1.00 0.00 H new ATOM 234 N LYS A 35 -3.570 7.067 -7.001 1.00 0.00 N ATOM 235 CA LYS A 35 -4.687 6.315 -7.597 1.00 0.00 C ATOM 236 C LYS A 35 -4.605 6.343 -9.133 1.00 0.00 C ATOM 237 O LYS A 35 -4.214 7.354 -9.718 1.00 0.00 O ATOM 238 CB LYS A 35 -6.009 6.921 -7.084 1.00 0.00 C ATOM 239 CG LYS A 35 -7.206 5.973 -7.268 1.00 0.00 C ATOM 240 CD LYS A 35 -8.565 6.663 -7.095 1.00 0.00 C ATOM 241 CE LYS A 35 -8.769 7.183 -5.665 1.00 0.00 C ATOM 242 NZ LYS A 35 -10.090 7.846 -5.504 1.00 0.00 N ATOM 0 H LYS A 35 -3.872 7.914 -6.519 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.635 5.267 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.905 7.168 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.205 7.854 -7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.157 5.528 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.127 5.157 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.642 7.493 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.362 5.962 -7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.690 6.354 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.975 7.888 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.192 8.184 -4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.156 8.652 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.848 7.166 -5.716 1.00 0.00 H new ATOM 256 N GLY A 36 -5.025 5.262 -9.793 1.00 0.00 N ATOM 257 CA GLY A 36 -5.049 5.158 -11.263 1.00 0.00 C ATOM 258 C GLY A 36 -6.307 5.718 -11.952 1.00 0.00 C ATOM 259 O GLY A 36 -6.340 5.780 -13.182 1.00 0.00 O ATOM 0 H GLY A 36 -5.363 4.423 -9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.178 5.679 -11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.945 4.108 -11.536 1.00 0.00 H new ATOM 263 N LEU A 37 -7.337 6.123 -11.190 1.00 0.00 N ATOM 264 CA LEU A 37 -8.639 6.662 -11.655 1.00 0.00 C ATOM 265 C LEU A 37 -9.436 5.713 -12.593 1.00 0.00 C ATOM 266 O LEU A 37 -10.365 6.139 -13.284 1.00 0.00 O ATOM 267 CB LEU A 37 -8.456 8.092 -12.238 1.00 0.00 C ATOM 268 CG LEU A 37 -8.299 9.269 -11.255 1.00 0.00 C ATOM 269 CD1 LEU A 37 -9.540 9.470 -10.381 1.00 0.00 C ATOM 270 CD2 LEU A 37 -7.072 9.165 -10.352 1.00 0.00 C ATOM 0 H LEU A 37 -7.286 6.083 -10.172 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.278 6.734 -10.775 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.577 8.078 -12.882 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.315 8.303 -12.875 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.164 10.135 -11.903 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.378 10.311 -9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.402 9.675 -11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.724 8.568 -9.798 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.033 10.030 -9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.135 8.255 -9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.171 9.136 -10.965 1.00 0.00 H new ATOM 282 N CYS A 38 -9.093 4.422 -12.619 1.00 0.00 N ATOM 283 CA CYS A 38 -9.720 3.412 -13.485 1.00 0.00 C ATOM 284 C CYS A 38 -11.143 3.023 -13.024 1.00 0.00 C ATOM 285 O CYS A 38 -11.550 3.302 -11.891 1.00 0.00 O ATOM 286 CB CYS A 38 -8.837 2.154 -13.520 1.00 0.00 C ATOM 287 SG CYS A 38 -7.060 2.436 -13.745 1.00 0.00 S ATOM 0 H CYS A 38 -8.356 4.039 -12.027 1.00 0.00 H new ATOM 0 HA CYS A 38 -9.812 3.852 -14.478 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.983 1.606 -12.589 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.188 1.511 -14.327 1.00 0.00 H new ATOM 292 N LYS A 39 -11.873 2.295 -13.881 1.00 0.00 N ATOM 293 CA LYS A 39 -13.147 1.631 -13.536 1.00 0.00 C ATOM 294 C LYS A 39 -12.950 0.463 -12.557 1.00 0.00 C ATOM 295 O LYS A 39 -13.723 0.312 -11.609 1.00 0.00 O ATOM 296 CB LYS A 39 -13.856 1.155 -14.818 1.00 0.00 C ATOM 297 CG LYS A 39 -14.319 2.334 -15.694 1.00 0.00 C ATOM 298 CD LYS A 39 -15.116 1.883 -16.931 1.00 0.00 C ATOM 299 CE LYS A 39 -14.288 1.123 -17.980 1.00 0.00 C ATOM 300 NZ LYS A 39 -13.323 2.004 -18.694 1.00 0.00 N ATOM 0 H LYS A 39 -11.594 2.146 -14.851 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.774 2.364 -13.029 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.180 0.521 -15.392 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.717 0.543 -14.550 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.935 3.005 -15.096 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.448 2.904 -16.017 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.939 1.247 -16.605 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.559 2.761 -17.402 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.744 0.314 -17.492 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.960 0.663 -18.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.790 1.444 -19.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.841 2.761 -19.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.663 2.423 -18.008 1.00 0.00 H new ATOM 314 N ALA A 40 -11.919 -0.356 -12.780 1.00 0.00 N ATOM 315 CA ALA A 40 -11.548 -1.490 -11.927 1.00 0.00 C ATOM 316 C ALA A 40 -10.927 -1.057 -10.580 1.00 0.00 C ATOM 317 O ALA A 40 -10.351 0.029 -10.460 1.00 0.00 O ATOM 318 CB ALA A 40 -10.574 -2.379 -12.714 1.00 0.00 C ATOM 0 H ALA A 40 -11.300 -0.246 -13.583 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.454 -2.039 -11.670 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.282 -3.231 -12.100 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.060 -2.735 -13.622 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.688 -1.802 -12.979 1.00 0.00 H new ATOM 324 N ARG A 41 -10.991 -1.948 -9.578 1.00 0.00 N ATOM 325 CA ARG A 41 -10.431 -1.774 -8.223 1.00 0.00 C ATOM 326 C ARG A 41 -9.626 -3.008 -7.792 1.00 0.00 C ATOM 327 O ARG A 41 -10.172 -3.959 -7.228 1.00 0.00 O ATOM 328 CB ARG A 41 -11.542 -1.437 -7.209 1.00 0.00 C ATOM 329 CG ARG A 41 -12.298 -0.148 -7.537 1.00 0.00 C ATOM 330 CD ARG A 41 -13.225 0.221 -6.375 1.00 0.00 C ATOM 331 NE ARG A 41 -14.123 1.319 -6.762 1.00 0.00 N ATOM 332 CZ ARG A 41 -14.922 2.025 -5.981 1.00 0.00 C ATOM 333 NH1 ARG A 41 -14.988 1.825 -4.694 1.00 0.00 N ATOM 334 NH2 ARG A 41 -15.683 2.955 -6.485 1.00 0.00 N ATOM 0 H ARG A 41 -11.454 -2.850 -9.692 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.741 -0.931 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.251 -2.264 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.102 -1.348 -6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.592 0.661 -7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.879 -0.279 -8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.811 -0.649 -6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.633 0.516 -5.509 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.130 1.565 -7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.411 1.105 -4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.616 2.389 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.664 3.142 -7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.297 3.496 -5.877 1.00 0.00 H new ATOM 348 N PHE A 42 -8.325 -2.991 -8.080 1.00 0.00 N ATOM 349 CA PHE A 42 -7.349 -3.973 -7.577 1.00 0.00 C ATOM 350 C PHE A 42 -7.161 -3.858 -6.051 1.00 0.00 C ATOM 351 O PHE A 42 -7.643 -2.908 -5.431 1.00 0.00 O ATOM 352 CB PHE A 42 -5.994 -3.766 -8.285 1.00 0.00 C ATOM 353 CG PHE A 42 -6.016 -3.622 -9.799 1.00 0.00 C ATOM 354 CD1 PHE A 42 -6.896 -4.381 -10.597 1.00 0.00 C ATOM 355 CD2 PHE A 42 -5.127 -2.720 -10.416 1.00 0.00 C ATOM 356 CE1 PHE A 42 -6.907 -4.212 -11.994 1.00 0.00 C ATOM 357 CE2 PHE A 42 -5.136 -2.552 -11.811 1.00 0.00 C ATOM 358 CZ PHE A 42 -6.031 -3.295 -12.600 1.00 0.00 C ATOM 0 H PHE A 42 -7.906 -2.282 -8.681 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.734 -4.970 -7.793 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.527 -2.874 -7.867 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.350 -4.609 -8.035 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.563 -5.094 -10.135 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.433 -2.153 -9.812 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.590 -4.788 -12.601 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.456 -1.853 -12.276 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.046 -3.161 -13.672 1.00 0.00 H new ATOM 368 N THR A 43 -6.393 -4.777 -5.457 1.00 0.00 N ATOM 369 CA THR A 43 -5.956 -4.729 -4.047 1.00 0.00 C ATOM 370 C THR A 43 -4.432 -4.827 -3.975 1.00 0.00 C ATOM 371 O THR A 43 -3.858 -5.850 -4.356 1.00 0.00 O ATOM 372 CB THR A 43 -6.596 -5.851 -3.205 1.00 0.00 C ATOM 373 OG1 THR A 43 -7.995 -5.908 -3.405 1.00 0.00 O ATOM 374 CG2 THR A 43 -6.388 -5.620 -1.708 1.00 0.00 C ATOM 0 H THR A 43 -6.046 -5.599 -5.952 1.00 0.00 H new ATOM 0 HA THR A 43 -6.286 -3.778 -3.630 1.00 0.00 H new ATOM 0 HB THR A 43 -6.114 -6.774 -3.526 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.374 -6.629 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.853 -6.431 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.321 -5.592 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.842 -4.672 -1.420 1.00 0.00 H new ATOM 382 N ARG A 44 -3.767 -3.766 -3.504 1.00 0.00 N ATOM 383 CA ARG A 44 -2.322 -3.727 -3.207 1.00 0.00 C ATOM 384 C ARG A 44 -2.077 -3.432 -1.731 1.00 0.00 C ATOM 385 O ARG A 44 -2.964 -2.947 -1.034 1.00 0.00 O ATOM 386 CB ARG A 44 -1.620 -2.665 -4.075 1.00 0.00 C ATOM 387 CG ARG A 44 -1.556 -3.011 -5.564 1.00 0.00 C ATOM 388 CD ARG A 44 -0.987 -4.416 -5.795 1.00 0.00 C ATOM 389 NE ARG A 44 -0.139 -4.475 -6.985 1.00 0.00 N ATOM 390 CZ ARG A 44 -0.492 -4.743 -8.230 1.00 0.00 C ATOM 391 NH1 ARG A 44 -1.736 -4.920 -8.573 1.00 0.00 N ATOM 392 NH2 ARG A 44 0.407 -4.826 -9.166 1.00 0.00 N ATOM 0 H ARG A 44 -4.231 -2.879 -3.311 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.906 -4.707 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.140 -1.714 -3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.605 -2.522 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.555 -2.947 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.937 -2.278 -6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.409 -4.721 -4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.807 -5.127 -5.899 1.00 0.00 H new ATOM 0 HE ARG A 44 0.852 -4.285 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.473 -4.853 -7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.973 -5.125 -9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.392 -4.684 -8.941 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.127 -5.033 -10.125 1.00 0.00 H new ATOM 406 N TYR A 45 -0.849 -3.660 -1.280 1.00 0.00 N ATOM 407 CA TYR A 45 -0.366 -3.330 0.057 1.00 0.00 C ATOM 408 C TYR A 45 0.946 -2.547 -0.057 1.00 0.00 C ATOM 409 O TYR A 45 1.822 -2.887 -0.854 1.00 0.00 O ATOM 410 CB TYR A 45 -0.205 -4.615 0.882 1.00 0.00 C ATOM 411 CG TYR A 45 -1.488 -5.415 1.042 1.00 0.00 C ATOM 412 CD1 TYR A 45 -1.844 -6.374 0.071 1.00 0.00 C ATOM 413 CD2 TYR A 45 -2.335 -5.193 2.147 1.00 0.00 C ATOM 414 CE1 TYR A 45 -3.029 -7.120 0.210 1.00 0.00 C ATOM 415 CE2 TYR A 45 -3.516 -5.947 2.294 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.867 -6.912 1.324 1.00 0.00 C ATOM 417 OH TYR A 45 -5.010 -7.641 1.454 1.00 0.00 O ATOM 0 H TYR A 45 -0.133 -4.098 -1.859 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.087 -2.698 0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.547 -5.246 0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.174 -4.354 1.870 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.204 -6.537 -0.784 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.078 -4.444 2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.297 -7.852 -0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.154 -5.787 3.150 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.474 -7.378 2.276 1.00 0.00 H new ATOM 427 N TYR A 46 1.084 -1.487 0.734 1.00 0.00 N ATOM 428 CA TYR A 46 2.255 -0.608 0.742 1.00 0.00 C ATOM 429 C TYR A 46 2.742 -0.420 2.182 1.00 0.00 C ATOM 430 O TYR A 46 1.927 -0.226 3.085 1.00 0.00 O ATOM 431 CB TYR A 46 1.882 0.753 0.128 1.00 0.00 C ATOM 432 CG TYR A 46 1.644 0.791 -1.376 1.00 0.00 C ATOM 433 CD1 TYR A 46 0.418 0.358 -1.926 1.00 0.00 C ATOM 434 CD2 TYR A 46 2.626 1.344 -2.223 1.00 0.00 C ATOM 435 CE1 TYR A 46 0.157 0.519 -3.302 1.00 0.00 C ATOM 436 CE2 TYR A 46 2.372 1.500 -3.600 1.00 0.00 C ATOM 437 CZ TYR A 46 1.125 1.113 -4.138 1.00 0.00 C ATOM 438 OH TYR A 46 0.860 1.303 -5.460 1.00 0.00 O ATOM 0 H TYR A 46 0.369 -1.206 1.405 1.00 0.00 H new ATOM 0 HA TYR A 46 3.054 -1.057 0.151 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.980 1.112 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.677 1.460 0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.324 -0.099 -1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.578 1.650 -1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.784 0.188 -3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.132 1.916 -4.245 1.00 0.00 H new ATOM 0 HH TYR A 46 1.633 1.725 -5.891 1.00 0.00 H new ATOM 448 N CYS A 47 4.059 -0.461 2.413 1.00 0.00 N ATOM 449 CA CYS A 47 4.644 -0.072 3.698 1.00 0.00 C ATOM 450 C CYS A 47 4.593 1.459 3.879 1.00 0.00 C ATOM 451 O CYS A 47 4.991 2.213 2.987 1.00 0.00 O ATOM 452 CB CYS A 47 6.076 -0.601 3.811 1.00 0.00 C ATOM 453 SG CYS A 47 6.866 -0.176 5.387 1.00 0.00 S ATOM 0 H CYS A 47 4.743 -0.763 1.719 1.00 0.00 H new ATOM 0 HA CYS A 47 4.056 -0.518 4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.067 -1.685 3.696 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.672 -0.198 2.992 1.00 0.00 H new ATOM 458 N MET A 48 4.112 1.912 5.042 1.00 0.00 N ATOM 459 CA MET A 48 3.820 3.319 5.359 1.00 0.00 C ATOM 460 C MET A 48 4.568 3.849 6.604 1.00 0.00 C ATOM 461 O MET A 48 4.317 4.974 7.039 1.00 0.00 O ATOM 462 CB MET A 48 2.299 3.504 5.504 1.00 0.00 C ATOM 463 CG MET A 48 1.488 3.119 4.260 1.00 0.00 C ATOM 464 SD MET A 48 1.882 4.007 2.724 1.00 0.00 S ATOM 465 CE MET A 48 1.273 5.661 3.151 1.00 0.00 C ATOM 0 H MET A 48 3.907 1.286 5.820 1.00 0.00 H new ATOM 0 HA MET A 48 4.192 3.918 4.528 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.952 2.906 6.347 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.094 4.547 5.747 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.624 2.052 4.081 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.432 3.273 4.481 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.438 6.337 2.312 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.207 5.610 3.372 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.808 6.031 4.026 1.00 0.00 H new ATOM 475 N GLY A 49 5.480 3.052 7.176 1.00 0.00 N ATOM 476 CA GLY A 49 6.279 3.382 8.366 1.00 0.00 C ATOM 477 C GLY A 49 6.154 2.313 9.455 1.00 0.00 C ATOM 478 O GLY A 49 5.231 2.363 10.268 1.00 0.00 O ATOM 0 H GLY A 49 5.690 2.124 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.326 3.489 8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.957 4.344 8.764 1.00 0.00 H new ATOM 482 N ASN A 50 7.055 1.318 9.441 1.00 0.00 N ATOM 483 CA ASN A 50 7.100 0.150 10.347 1.00 0.00 C ATOM 484 C ASN A 50 5.826 -0.737 10.335 1.00 0.00 C ATOM 485 O ASN A 50 5.669 -1.627 11.172 1.00 0.00 O ATOM 486 CB ASN A 50 7.489 0.596 11.773 1.00 0.00 C ATOM 487 CG ASN A 50 8.792 1.376 11.849 1.00 0.00 C ATOM 488 OD1 ASN A 50 8.866 2.561 11.556 1.00 0.00 O ATOM 489 ND2 ASN A 50 9.868 0.748 12.270 1.00 0.00 N ATOM 0 H ASN A 50 7.815 1.302 8.761 1.00 0.00 H new ATOM 0 HA ASN A 50 7.876 -0.507 9.954 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.686 1.211 12.181 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.569 -0.286 12.408 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.753 1.249 12.349 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.818 -0.240 12.517 1.00 0.00 H new ATOM 496 N CYS A 51 4.915 -0.484 9.395 1.00 0.00 N ATOM 497 CA CYS A 51 3.617 -1.122 9.206 1.00 0.00 C ATOM 498 C CYS A 51 3.198 -0.976 7.733 1.00 0.00 C ATOM 499 O CYS A 51 3.736 -0.117 7.024 1.00 0.00 O ATOM 500 CB CYS A 51 2.624 -0.401 10.128 1.00 0.00 C ATOM 501 SG CYS A 51 0.988 -1.156 10.309 1.00 0.00 S ATOM 0 H CYS A 51 5.083 0.233 8.689 1.00 0.00 H new ATOM 0 HA CYS A 51 3.648 -2.185 9.447 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.074 -0.322 11.118 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.491 0.615 9.757 1.00 0.00 H new ATOM 506 N CYS A 52 2.198 -1.737 7.281 1.00 0.00 N ATOM 507 CA CYS A 52 1.618 -1.606 5.939 1.00 0.00 C ATOM 508 C CYS A 52 0.136 -1.203 5.968 1.00 0.00 C ATOM 509 O CYS A 52 -0.570 -1.418 6.958 1.00 0.00 O ATOM 510 CB CYS A 52 1.809 -2.907 5.146 1.00 0.00 C ATOM 511 SG CYS A 52 3.497 -3.556 5.042 1.00 0.00 S ATOM 0 H CYS A 52 1.763 -2.470 7.841 1.00 0.00 H new ATOM 0 HA CYS A 52 2.152 -0.798 5.439 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.177 -3.674 5.593 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.444 -2.744 4.132 1.00 0.00 H new ATOM 516 N LYS A 53 -0.345 -0.668 4.841 1.00 0.00 N ATOM 517 CA LYS A 53 -1.737 -0.280 4.576 1.00 0.00 C ATOM 518 C LYS A 53 -2.192 -0.842 3.226 1.00 0.00 C ATOM 519 O LYS A 53 -1.409 -0.887 2.275 1.00 0.00 O ATOM 520 CB LYS A 53 -1.827 1.257 4.651 1.00 0.00 C ATOM 521 CG LYS A 53 -3.237 1.801 4.375 1.00 0.00 C ATOM 522 CD LYS A 53 -3.372 3.310 4.632 1.00 0.00 C ATOM 523 CE LYS A 53 -3.365 3.637 6.133 1.00 0.00 C ATOM 524 NZ LYS A 53 -3.684 5.069 6.380 1.00 0.00 N ATOM 0 H LYS A 53 0.261 -0.483 4.042 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.413 -0.698 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.507 1.584 5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.132 1.690 3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.502 1.592 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.953 1.268 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.553 3.837 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.298 3.673 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.091 3.007 6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.387 3.403 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.671 5.256 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.976 5.668 5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.628 5.285 6.001 1.00 0.00 H new ATOM 538 N VAL A 54 -3.449 -1.282 3.147 1.00 0.00 N ATOM 539 CA VAL A 54 -4.087 -1.733 1.898 1.00 0.00 C ATOM 540 C VAL A 54 -4.547 -0.536 1.051 1.00 0.00 C ATOM 541 O VAL A 54 -5.015 0.474 1.580 1.00 0.00 O ATOM 542 CB VAL A 54 -5.235 -2.719 2.198 1.00 0.00 C ATOM 543 CG1 VAL A 54 -6.483 -2.066 2.799 1.00 0.00 C ATOM 544 CG2 VAL A 54 -5.658 -3.504 0.955 1.00 0.00 C ATOM 0 H VAL A 54 -4.066 -1.338 3.958 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.349 -2.272 1.304 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.813 -3.391 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.241 -2.828 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.223 -1.583 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.874 -1.322 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.468 -4.186 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.998 -2.811 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.809 -4.075 0.579 1.00 0.00 H new ATOM 554 N TYR A 55 -4.431 -0.656 -0.270 1.00 0.00 N ATOM 555 CA TYR A 55 -4.767 0.362 -1.265 1.00 0.00 C ATOM 556 C TYR A 55 -5.618 -0.243 -2.391 1.00 0.00 C ATOM 557 O TYR A 55 -5.258 -1.264 -2.986 1.00 0.00 O ATOM 558 CB TYR A 55 -3.478 1.012 -1.788 1.00 0.00 C ATOM 559 CG TYR A 55 -2.948 2.116 -0.889 1.00 0.00 C ATOM 560 CD1 TYR A 55 -3.400 3.437 -1.080 1.00 0.00 C ATOM 561 CD2 TYR A 55 -2.034 1.835 0.145 1.00 0.00 C ATOM 562 CE1 TYR A 55 -2.942 4.474 -0.249 1.00 0.00 C ATOM 563 CE2 TYR A 55 -1.563 2.873 0.974 1.00 0.00 C ATOM 564 CZ TYR A 55 -2.022 4.194 0.782 1.00 0.00 C ATOM 565 OH TYR A 55 -1.590 5.191 1.601 1.00 0.00 O ATOM 0 H TYR A 55 -4.081 -1.513 -0.699 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.371 1.143 -0.804 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.712 0.244 -1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.664 1.421 -2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.103 3.654 -1.870 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.693 0.822 0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.294 5.484 -0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.851 2.658 1.757 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.292 5.869 1.689 1.00 0.00 H new ATOM 575 N GLU A 56 -6.769 0.378 -2.660 1.00 0.00 N ATOM 576 CA GLU A 56 -7.822 -0.114 -3.559 1.00 0.00 C ATOM 577 C GLU A 56 -8.289 1.006 -4.510 1.00 0.00 C ATOM 578 O GLU A 56 -8.906 1.981 -4.075 1.00 0.00 O ATOM 579 CB GLU A 56 -9.005 -0.678 -2.747 1.00 0.00 C ATOM 580 CG GLU A 56 -8.640 -1.860 -1.838 1.00 0.00 C ATOM 581 CD GLU A 56 -9.886 -2.367 -1.085 1.00 0.00 C ATOM 582 OE1 GLU A 56 -10.716 -3.096 -1.682 1.00 0.00 O ATOM 583 OE2 GLU A 56 -10.056 -2.029 0.113 1.00 0.00 O ATOM 0 H GLU A 56 -7.005 1.277 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.411 -0.922 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.424 0.121 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.787 -0.994 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.215 -2.667 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.875 -1.555 -1.124 1.00 0.00 H new ATOM 590 N GLY A 57 -7.942 0.907 -5.801 1.00 0.00 N ATOM 591 CA GLY A 57 -8.122 1.996 -6.781 1.00 0.00 C ATOM 592 C GLY A 57 -7.099 1.991 -7.922 1.00 0.00 C ATOM 593 O GLY A 57 -6.417 2.986 -8.167 1.00 0.00 O ATOM 0 H GLY A 57 -7.526 0.066 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.123 1.925 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.063 2.952 -6.260 1.00 0.00 H new ATOM 597 N CYS A 58 -6.994 0.863 -8.631 1.00 0.00 N ATOM 598 CA CYS A 58 -6.109 0.661 -9.792 1.00 0.00 C ATOM 599 C CYS A 58 -4.597 0.836 -9.498 1.00 0.00 C ATOM 600 O CYS A 58 -3.798 1.113 -10.394 1.00 0.00 O ATOM 601 CB CYS A 58 -6.625 1.537 -10.938 1.00 0.00 C ATOM 602 SG CYS A 58 -6.237 0.966 -12.613 1.00 0.00 S ATOM 0 H CYS A 58 -7.542 0.032 -8.407 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.158 -0.388 -10.085 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -7.708 1.620 -10.846 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.217 2.540 -10.814 1.00 0.00 H new ATOM 607 N TYR A 59 -4.193 0.678 -8.233 1.00 0.00 N ATOM 608 CA TYR A 59 -2.799 0.733 -7.777 1.00 0.00 C ATOM 609 C TYR A 59 -1.983 -0.443 -8.338 1.00 0.00 C ATOM 610 O TYR A 59 -2.440 -1.587 -8.309 1.00 0.00 O ATOM 611 CB TYR A 59 -2.766 0.724 -6.240 1.00 0.00 C ATOM 612 CG TYR A 59 -3.364 1.967 -5.606 1.00 0.00 C ATOM 613 CD1 TYR A 59 -2.565 3.108 -5.408 1.00 0.00 C ATOM 614 CD2 TYR A 59 -4.719 1.989 -5.224 1.00 0.00 C ATOM 615 CE1 TYR A 59 -3.119 4.269 -4.833 1.00 0.00 C ATOM 616 CE2 TYR A 59 -5.286 3.157 -4.675 1.00 0.00 C ATOM 617 CZ TYR A 59 -4.484 4.302 -4.479 1.00 0.00 C ATOM 618 OH TYR A 59 -5.012 5.429 -3.931 1.00 0.00 O ATOM 0 H TYR A 59 -4.849 0.502 -7.472 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.346 1.653 -8.146 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.306 -0.152 -5.880 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.733 0.620 -5.909 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.525 3.094 -5.697 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.327 1.106 -5.352 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.497 5.135 -4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.332 3.176 -4.405 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.964 5.288 -3.746 1.00 0.00 H new ATOM 628 N THR A 60 -0.770 -0.173 -8.832 1.00 0.00 N ATOM 629 CA THR A 60 0.109 -1.183 -9.470 1.00 0.00 C ATOM 630 C THR A 60 1.564 -1.181 -8.982 1.00 0.00 C ATOM 631 O THR A 60 2.279 -2.158 -9.210 1.00 0.00 O ATOM 632 CB THR A 60 0.095 -1.053 -11.006 1.00 0.00 C ATOM 633 OG1 THR A 60 0.412 0.264 -11.407 1.00 0.00 O ATOM 634 CG2 THR A 60 -1.258 -1.428 -11.615 1.00 0.00 C ATOM 0 H THR A 60 -0.358 0.760 -8.804 1.00 0.00 H new ATOM 0 HA THR A 60 -0.321 -2.136 -9.161 1.00 0.00 H new ATOM 0 HB THR A 60 0.849 -1.751 -11.370 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.398 0.320 -12.385 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.212 -1.319 -12.699 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.496 -2.462 -11.364 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.031 -0.771 -11.216 1.00 0.00 H new ATOM 642 N GLY A 61 2.006 -0.140 -8.264 1.00 0.00 N ATOM 643 CA GLY A 61 3.393 0.010 -7.793 1.00 0.00 C ATOM 644 C GLY A 61 3.715 -0.689 -6.462 1.00 0.00 C ATOM 645 O GLY A 61 4.884 -0.757 -6.077 1.00 0.00 O ATOM 0 H GLY A 61 1.402 0.635 -7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.063 -0.378 -8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.611 1.073 -7.688 1.00 0.00 H new ATOM 649 N GLY A 62 2.700 -1.200 -5.755 1.00 0.00 N ATOM 650 CA GLY A 62 2.816 -1.816 -4.427 1.00 0.00 C ATOM 651 C GLY A 62 2.803 -3.345 -4.442 1.00 0.00 C ATOM 652 O GLY A 62 2.510 -3.986 -5.457 1.00 0.00 O ATOM 0 H GLY A 62 1.741 -1.196 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.741 -1.476 -3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.996 -1.463 -3.802 1.00 0.00 H new ATOM 656 N TYR A 63 3.101 -3.922 -3.278 1.00 0.00 N ATOM 657 CA TYR A 63 3.171 -5.361 -3.030 1.00 0.00 C ATOM 658 C TYR A 63 1.797 -6.035 -3.183 1.00 0.00 C ATOM 659 O TYR A 63 0.763 -5.477 -2.810 1.00 0.00 O ATOM 660 CB TYR A 63 3.721 -5.598 -1.614 1.00 0.00 C ATOM 661 CG TYR A 63 5.129 -5.079 -1.381 1.00 0.00 C ATOM 662 CD1 TYR A 63 6.239 -5.868 -1.735 1.00 0.00 C ATOM 663 CD2 TYR A 63 5.329 -3.810 -0.799 1.00 0.00 C ATOM 664 CE1 TYR A 63 7.546 -5.400 -1.497 1.00 0.00 C ATOM 665 CE2 TYR A 63 6.635 -3.338 -0.559 1.00 0.00 C ATOM 666 CZ TYR A 63 7.748 -4.133 -0.907 1.00 0.00 C ATOM 667 OH TYR A 63 9.013 -3.682 -0.684 1.00 0.00 O ATOM 0 H TYR A 63 3.310 -3.373 -2.444 1.00 0.00 H new ATOM 0 HA TYR A 63 3.834 -5.807 -3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.051 -5.125 -0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.705 -6.668 -1.408 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.088 -6.836 -2.191 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.479 -3.198 -0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.395 -6.011 -1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.784 -2.368 -0.109 1.00 0.00 H new ATOM 0 HH TYR A 63 8.976 -2.793 -0.273 1.00 0.00 H new ATOM 677 N SER A 64 1.786 -7.265 -3.698 1.00 0.00 N ATOM 678 CA SER A 64 0.556 -8.041 -3.929 1.00 0.00 C ATOM 679 C SER A 64 -0.101 -8.559 -2.640 1.00 0.00 C ATOM 680 O SER A 64 -1.302 -8.837 -2.640 1.00 0.00 O ATOM 681 CB SER A 64 0.852 -9.232 -4.848 1.00 0.00 C ATOM 682 OG SER A 64 1.421 -8.784 -6.070 1.00 0.00 O ATOM 0 H SER A 64 2.635 -7.760 -3.971 1.00 0.00 H new ATOM 0 HA SER A 64 -0.149 -7.352 -4.394 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.535 -9.921 -4.352 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.067 -9.783 -5.048 1.00 0.00 H new ATOM 0 HG SER A 64 1.607 -9.555 -6.646 1.00 0.00 H new ATOM 688 N ARG A 65 0.663 -8.691 -1.541 1.00 0.00 N ATOM 689 CA ARG A 65 0.211 -9.208 -0.235 1.00 0.00 C ATOM 690 C ARG A 65 0.828 -8.419 0.921 1.00 0.00 C ATOM 691 O ARG A 65 1.962 -7.950 0.817 1.00 0.00 O ATOM 692 CB ARG A 65 0.593 -10.697 -0.113 1.00 0.00 C ATOM 693 CG ARG A 65 -0.013 -11.583 -1.216 1.00 0.00 C ATOM 694 CD ARG A 65 0.336 -13.061 -1.010 1.00 0.00 C ATOM 695 NE ARG A 65 -0.158 -13.882 -2.134 1.00 0.00 N ATOM 696 CZ ARG A 65 0.027 -15.178 -2.323 1.00 0.00 C ATOM 697 NH1 ARG A 65 0.676 -15.916 -1.468 1.00 0.00 N ATOM 698 NH2 ARG A 65 -0.442 -15.762 -3.389 1.00 0.00 N ATOM 0 H ARG A 65 1.649 -8.431 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.872 -9.096 -0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.679 -10.788 -0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.268 -11.068 0.859 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.096 -11.463 -1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.353 -11.255 -2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.416 -13.174 -0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.101 -13.415 -0.076 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.703 -13.395 -2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.060 -15.497 -0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.800 -16.913 -1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.955 -15.219 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.296 -16.762 -3.529 1.00 0.00 H new ATOM 712 N MET A 66 0.140 -8.366 2.064 1.00 0.00 N ATOM 713 CA MET A 66 0.688 -7.809 3.313 1.00 0.00 C ATOM 714 C MET A 66 1.907 -8.608 3.820 1.00 0.00 C ATOM 715 O MET A 66 2.839 -8.042 4.388 1.00 0.00 O ATOM 716 CB MET A 66 -0.425 -7.746 4.370 1.00 0.00 C ATOM 717 CG MET A 66 -0.004 -6.925 5.597 1.00 0.00 C ATOM 718 SD MET A 66 -1.282 -6.726 6.873 1.00 0.00 S ATOM 719 CE MET A 66 -2.430 -5.599 6.033 1.00 0.00 C ATOM 0 H MET A 66 -0.817 -8.708 2.154 1.00 0.00 H new ATOM 0 HA MET A 66 1.050 -6.800 3.114 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.320 -7.307 3.929 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.687 -8.757 4.682 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.867 -7.399 6.049 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.309 -5.936 5.262 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.215 -5.296 6.726 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.889 -4.717 5.690 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.877 -6.106 5.178 1.00 0.00 H new ATOM 729 N GLY A 67 1.951 -9.917 3.547 1.00 0.00 N ATOM 730 CA GLY A 67 3.111 -10.766 3.841 1.00 0.00 C ATOM 731 C GLY A 67 4.380 -10.392 3.059 1.00 0.00 C ATOM 732 O GLY A 67 5.481 -10.643 3.540 1.00 0.00 O ATOM 0 H GLY A 67 1.177 -10.420 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.326 -10.711 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.854 -11.802 3.620 1.00 0.00 H new ATOM 736 N GLU A 68 4.254 -9.775 1.877 1.00 0.00 N ATOM 737 CA GLU A 68 5.390 -9.363 1.036 1.00 0.00 C ATOM 738 C GLU A 68 6.006 -8.025 1.477 1.00 0.00 C ATOM 739 O GLU A 68 7.231 -7.916 1.592 1.00 0.00 O ATOM 740 CB GLU A 68 4.963 -9.306 -0.440 1.00 0.00 C ATOM 741 CG GLU A 68 4.712 -10.683 -1.071 1.00 0.00 C ATOM 742 CD GLU A 68 6.029 -11.418 -1.391 1.00 0.00 C ATOM 743 OE1 GLU A 68 6.676 -11.941 -0.452 1.00 0.00 O ATOM 744 OE2 GLU A 68 6.418 -11.484 -2.582 1.00 0.00 O ATOM 0 H GLU A 68 3.348 -9.544 1.470 1.00 0.00 H new ATOM 0 HA GLU A 68 6.169 -10.116 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.055 -8.709 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.735 -8.791 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.113 -11.290 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.132 -10.563 -1.986 1.00 0.00 H new ATOM 751 N CYS A 69 5.185 -7.012 1.786 1.00 0.00 N ATOM 752 CA CYS A 69 5.687 -5.740 2.325 1.00 0.00 C ATOM 753 C CYS A 69 6.409 -5.934 3.678 1.00 0.00 C ATOM 754 O CYS A 69 7.443 -5.310 3.929 1.00 0.00 O ATOM 755 CB CYS A 69 4.542 -4.716 2.413 1.00 0.00 C ATOM 756 SG CYS A 69 3.295 -5.056 3.683 1.00 0.00 S ATOM 0 H CYS A 69 4.172 -7.048 1.672 1.00 0.00 H new ATOM 0 HA CYS A 69 6.437 -5.346 1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.971 -3.732 2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.046 -4.666 1.444 1.00 0.00 H new ATOM 761 N ALA A 70 5.920 -6.862 4.513 1.00 0.00 N ATOM 762 CA ALA A 70 6.478 -7.225 5.819 1.00 0.00 C ATOM 763 C ALA A 70 7.795 -8.041 5.772 1.00 0.00 C ATOM 764 O ALA A 70 8.409 -8.261 6.820 1.00 0.00 O ATOM 765 CB ALA A 70 5.391 -7.983 6.591 1.00 0.00 C ATOM 0 H ALA A 70 5.087 -7.403 4.284 1.00 0.00 H new ATOM 0 HA ALA A 70 6.765 -6.300 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.773 -8.269 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.518 -7.342 6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.108 -8.878 6.036 1.00 0.00 H new ATOM 771 N ARG A 71 8.260 -8.487 4.591 1.00 0.00 N ATOM 772 CA ARG A 71 9.637 -8.999 4.399 1.00 0.00 C ATOM 773 C ARG A 71 10.663 -7.868 4.333 1.00 0.00 C ATOM 774 O ARG A 71 11.756 -7.971 4.890 1.00 0.00 O ATOM 775 CB ARG A 71 9.731 -9.858 3.123 1.00 0.00 C ATOM 776 CG ARG A 71 9.022 -11.199 3.323 1.00 0.00 C ATOM 777 CD ARG A 71 9.245 -12.167 2.154 1.00 0.00 C ATOM 778 NE ARG A 71 8.925 -13.551 2.559 1.00 0.00 N ATOM 779 CZ ARG A 71 7.844 -14.266 2.303 1.00 0.00 C ATOM 780 NH1 ARG A 71 6.897 -13.873 1.501 1.00 0.00 N ATOM 781 NH2 ARG A 71 7.690 -15.430 2.870 1.00 0.00 N ATOM 0 H ARG A 71 7.696 -8.504 3.741 1.00 0.00 H new ATOM 0 HA ARG A 71 9.868 -9.617 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.282 -9.325 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.777 -10.028 2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.379 -11.660 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.953 -11.025 3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.621 -11.876 1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.281 -12.110 1.820 1.00 0.00 H new ATOM 0 HE ARG A 71 9.640 -14.021 3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.968 -12.970 1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.084 -14.468 1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.402 -15.785 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.857 -15.986 2.676 1.00 0.00 H new ATOM 795 N ASN A 72 10.301 -6.806 3.621 1.00 0.00 N ATOM 796 CA ASN A 72 11.136 -5.640 3.334 1.00 0.00 C ATOM 797 C ASN A 72 11.150 -4.639 4.506 1.00 0.00 C ATOM 798 O ASN A 72 12.221 -4.291 5.011 1.00 0.00 O ATOM 799 CB ASN A 72 10.652 -5.013 2.015 1.00 0.00 C ATOM 800 CG ASN A 72 11.001 -5.894 0.823 1.00 0.00 C ATOM 801 OD1 ASN A 72 12.079 -5.799 0.252 1.00 0.00 O ATOM 802 ND2 ASN A 72 10.139 -6.808 0.428 1.00 0.00 N ATOM 0 H ASN A 72 9.372 -6.729 3.207 1.00 0.00 H new ATOM 0 HA ASN A 72 12.175 -5.948 3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.573 -4.863 2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.106 -4.030 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.373 -7.428 -0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.238 -6.896 0.897 1.00 0.00 H new ATOM 809 N CYS A 73 9.976 -4.189 4.957 1.00 0.00 N ATOM 810 CA CYS A 73 9.813 -3.413 6.192 1.00 0.00 C ATOM 811 C CYS A 73 9.882 -4.304 7.457 1.00 0.00 C ATOM 812 O CYS A 73 9.683 -5.518 7.362 1.00 0.00 O ATOM 813 CB CYS A 73 8.490 -2.638 6.100 1.00 0.00 C ATOM 814 SG CYS A 73 8.695 -1.044 5.262 1.00 0.00 S ATOM 0 H CYS A 73 9.097 -4.356 4.467 1.00 0.00 H new ATOM 0 HA CYS A 73 10.640 -2.710 6.291 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.755 -3.238 5.564 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.096 -2.473 7.103 1.00 0.00 H new ATOM 819 N PRO A 74 10.140 -3.732 8.655 1.00 0.00 N ATOM 820 CA PRO A 74 10.276 -4.498 9.903 1.00 0.00 C ATOM 821 C PRO A 74 8.936 -4.977 10.502 1.00 0.00 C ATOM 822 O PRO A 74 8.931 -5.755 11.461 1.00 0.00 O ATOM 823 CB PRO A 74 11.013 -3.553 10.859 1.00 0.00 C ATOM 824 CG PRO A 74 10.539 -2.172 10.415 1.00 0.00 C ATOM 825 CD PRO A 74 10.422 -2.321 8.899 1.00 0.00 C ATOM 0 HA PRO A 74 10.815 -5.428 9.720 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.757 -3.752 11.900 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.095 -3.655 10.772 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.584 -1.907 10.870 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.250 -1.393 10.691 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.625 -1.690 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.344 -2.016 8.404 1.00 0.00 H new ATOM 833 N GLY A 75 7.806 -4.531 9.944 1.00 0.00 N ATOM 834 CA GLY A 75 6.425 -4.878 10.309 1.00 0.00 C ATOM 835 C GLY A 75 5.412 -4.445 9.246 1.00 0.00 C ATOM 836 O GLY A 75 4.237 -4.854 9.368 1.00 0.00 O ATOM 837 OXT GLY A 75 5.805 -3.715 8.308 1.00 0.00 O ATOM 0 H GLY A 75 7.833 -3.869 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.352 -5.955 10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.174 -4.406 11.259 1.00 0.00 H new TER 841 GLY A 75