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 -179:sc= -0.176 (180deg=-0.18) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0.652 (180deg=0.652) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 47:sc= 0.0824 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= -0.0492 K(o=-0.049,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 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 -173:sc= 0 (180deg=-0.0733) USER MOD Single : A 72 ASN : amide:sc= 0.963 K(o=0.96,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -11.920 -0.089 22.449 1.00 0.00 N ATOM 2 CA GLY A 19 -11.035 -1.217 22.812 1.00 0.00 C ATOM 3 C GLY A 19 -9.598 -0.934 22.411 1.00 0.00 C ATOM 4 O GLY A 19 -9.293 -0.871 21.219 1.00 0.00 O ATOM 0 HA2 GLY A 19 -11.088 -1.394 23.886 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.380 -2.127 22.321 1.00 0.00 H new ATOM 10 N ASP A 20 -8.715 -0.743 23.395 1.00 0.00 N ATOM 11 CA ASP A 20 -7.302 -0.353 23.240 1.00 0.00 C ATOM 12 C ASP A 20 -6.484 -1.339 22.378 1.00 0.00 C ATOM 13 O ASP A 20 -6.311 -2.506 22.745 1.00 0.00 O ATOM 14 CB ASP A 20 -6.658 -0.203 24.629 1.00 0.00 C ATOM 15 CG ASP A 20 -7.281 0.946 25.438 1.00 0.00 C ATOM 16 OD1 ASP A 20 -6.817 2.103 25.305 1.00 0.00 O ATOM 17 OD2 ASP A 20 -8.240 0.694 26.209 1.00 0.00 O ATOM 0 H ASP A 20 -8.975 -0.861 24.374 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.290 0.599 22.709 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.769 -1.136 25.182 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.589 -0.026 24.514 1.00 0.00 H new ATOM 22 N LYS A 21 -5.970 -0.860 21.235 1.00 0.00 N ATOM 23 CA LYS A 21 -5.111 -1.591 20.280 1.00 0.00 C ATOM 24 C LYS A 21 -3.959 -0.714 19.768 1.00 0.00 C ATOM 25 O LYS A 21 -4.016 0.516 19.842 1.00 0.00 O ATOM 26 CB LYS A 21 -5.963 -2.097 19.099 1.00 0.00 C ATOM 27 CG LYS A 21 -6.964 -3.194 19.504 1.00 0.00 C ATOM 28 CD LYS A 21 -7.805 -3.700 18.320 1.00 0.00 C ATOM 29 CE LYS A 21 -8.697 -2.625 17.676 1.00 0.00 C ATOM 30 NZ LYS A 21 -9.733 -2.108 18.611 1.00 0.00 N ATOM 0 H LYS A 21 -6.149 0.097 20.933 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.669 -2.440 20.802 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.508 -1.258 18.666 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.303 -2.484 18.322 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.421 -4.031 19.942 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.628 -2.806 20.276 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.136 -4.104 17.560 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.434 -4.522 18.661 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.075 -1.798 17.335 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.184 -3.042 16.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.307 -1.387 18.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.346 -2.890 18.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.271 -1.685 19.441 1.00 0.00 H new ATOM 44 N GLU A 22 -2.923 -1.342 19.214 1.00 0.00 N ATOM 45 CA GLU A 22 -1.709 -0.687 18.697 1.00 0.00 C ATOM 46 C GLU A 22 -1.827 -0.379 17.187 1.00 0.00 C ATOM 47 O GLU A 22 -1.151 -0.977 16.345 1.00 0.00 O ATOM 48 CB GLU A 22 -0.471 -1.544 19.030 1.00 0.00 C ATOM 49 CG GLU A 22 -0.228 -1.657 20.542 1.00 0.00 C ATOM 50 CD GLU A 22 1.057 -2.453 20.837 1.00 0.00 C ATOM 51 OE1 GLU A 22 0.989 -3.700 20.974 1.00 0.00 O ATOM 52 OE2 GLU A 22 2.148 -1.839 20.946 1.00 0.00 O ATOM 0 H GLU A 22 -2.899 -2.356 19.106 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.591 0.278 19.191 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.599 -2.541 18.610 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.408 -1.108 18.555 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.151 -0.661 20.977 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.080 -2.146 21.015 1.00 0.00 H new ATOM 59 N GLU A 23 -2.710 0.557 16.828 1.00 0.00 N ATOM 60 CA GLU A 23 -2.914 1.025 15.447 1.00 0.00 C ATOM 61 C GLU A 23 -1.712 1.838 14.923 1.00 0.00 C ATOM 62 O GLU A 23 -1.374 2.894 15.466 1.00 0.00 O ATOM 63 CB GLU A 23 -4.196 1.866 15.347 1.00 0.00 C ATOM 64 CG GLU A 23 -5.453 1.009 15.533 1.00 0.00 C ATOM 65 CD GLU A 23 -6.730 1.853 15.360 1.00 0.00 C ATOM 66 OE1 GLU A 23 -7.214 2.445 16.356 1.00 0.00 O ATOM 67 OE2 GLU A 23 -7.267 1.925 14.228 1.00 0.00 O ATOM 0 H GLU A 23 -3.318 1.023 17.501 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.012 0.138 14.822 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.176 2.651 16.103 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.233 2.359 14.376 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.451 0.194 14.810 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.444 0.556 16.524 1.00 0.00 H new ATOM 74 N CYS A 24 -1.064 1.350 13.861 1.00 0.00 N ATOM 75 CA CYS A 24 0.048 2.039 13.195 1.00 0.00 C ATOM 76 C CYS A 24 -0.426 3.248 12.354 1.00 0.00 C ATOM 77 O CYS A 24 -1.525 3.240 11.791 1.00 0.00 O ATOM 78 CB CYS A 24 0.828 1.023 12.345 1.00 0.00 C ATOM 79 SG CYS A 24 -0.019 0.393 10.865 1.00 0.00 S ATOM 0 H CYS A 24 -1.299 0.454 13.434 1.00 0.00 H new ATOM 0 HA CYS A 24 0.708 2.453 13.957 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.764 1.485 12.033 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.087 0.174 12.978 1.00 0.00 H new ATOM 84 N THR A 25 0.415 4.285 12.243 1.00 0.00 N ATOM 85 CA THR A 25 0.168 5.521 11.464 1.00 0.00 C ATOM 86 C THR A 25 1.465 6.098 10.863 1.00 0.00 C ATOM 87 O THR A 25 2.569 5.673 11.218 1.00 0.00 O ATOM 88 CB THR A 25 -0.516 6.612 12.322 1.00 0.00 C ATOM 89 OG1 THR A 25 0.251 6.923 13.468 1.00 0.00 O ATOM 90 CG2 THR A 25 -1.924 6.244 12.794 1.00 0.00 C ATOM 0 H THR A 25 1.323 4.293 12.708 1.00 0.00 H new ATOM 0 HA THR A 25 -0.498 5.232 10.651 1.00 0.00 H new ATOM 0 HB THR A 25 -0.592 7.470 11.654 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.206 7.616 13.989 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.333 7.061 13.389 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.564 6.069 11.929 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.879 5.340 13.401 1.00 0.00 H new ATOM 98 N VAL A 26 1.338 7.081 9.961 1.00 0.00 N ATOM 99 CA VAL A 26 2.435 7.870 9.353 1.00 0.00 C ATOM 100 C VAL A 26 2.062 9.363 9.251 1.00 0.00 C ATOM 101 O VAL A 26 0.867 9.685 9.234 1.00 0.00 O ATOM 102 CB VAL A 26 2.817 7.340 7.950 1.00 0.00 C ATOM 103 CG1 VAL A 26 3.642 6.056 8.051 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.614 7.099 7.027 1.00 0.00 C ATOM 0 H VAL A 26 0.423 7.367 9.613 1.00 0.00 H new ATOM 0 HA VAL A 26 3.296 7.761 10.012 1.00 0.00 H new ATOM 0 HB VAL A 26 3.413 8.134 7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.896 5.707 7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.557 6.254 8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.062 5.290 8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.963 6.729 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.950 6.363 7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.074 8.034 6.882 1.00 0.00 H new ATOM 114 N PRO A 27 3.041 10.289 9.167 1.00 0.00 N ATOM 115 CA PRO A 27 2.770 11.722 9.016 1.00 0.00 C ATOM 116 C PRO A 27 2.251 12.083 7.613 1.00 0.00 C ATOM 117 O PRO A 27 2.491 11.372 6.634 1.00 0.00 O ATOM 118 CB PRO A 27 4.106 12.413 9.317 1.00 0.00 C ATOM 119 CG PRO A 27 5.144 11.377 8.890 1.00 0.00 C ATOM 120 CD PRO A 27 4.478 10.059 9.281 1.00 0.00 C ATOM 0 HA PRO A 27 1.978 12.044 9.691 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.213 13.343 8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.200 12.664 10.374 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.350 11.426 7.821 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.094 11.519 9.404 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.798 9.250 8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.748 9.771 10.297 1.00 0.00 H new ATOM 128 N ILE A 28 1.598 13.245 7.499 1.00 0.00 N ATOM 129 CA ILE A 28 1.054 13.796 6.241 1.00 0.00 C ATOM 130 C ILE A 28 2.120 14.010 5.148 1.00 0.00 C ATOM 131 O ILE A 28 1.823 13.921 3.957 1.00 0.00 O ATOM 132 CB ILE A 28 0.254 15.090 6.535 1.00 0.00 C ATOM 133 CG1 ILE A 28 -0.490 15.670 5.311 1.00 0.00 C ATOM 134 CG2 ILE A 28 1.142 16.201 7.126 1.00 0.00 C ATOM 135 CD1 ILE A 28 -1.533 14.720 4.708 1.00 0.00 C ATOM 0 H ILE A 28 1.425 13.851 8.301 1.00 0.00 H new ATOM 0 HA ILE A 28 0.378 13.048 5.827 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.491 14.771 7.264 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.984 16.597 5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.240 15.927 4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.537 17.088 7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.583 15.856 8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.935 16.447 6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.011 15.200 3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.044 13.802 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.286 14.482 5.459 1.00 0.00 H new ATOM 147 N GLY A 29 3.376 14.244 5.544 1.00 0.00 N ATOM 148 CA GLY A 29 4.506 14.464 4.636 1.00 0.00 C ATOM 149 C GLY A 29 5.116 13.190 4.028 1.00 0.00 C ATOM 150 O GLY A 29 6.036 13.297 3.213 1.00 0.00 O ATOM 0 H GLY A 29 3.641 14.287 6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.178 15.113 3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.287 14.999 5.177 1.00 0.00 H new ATOM 154 N TRP A 30 4.649 11.992 4.405 1.00 0.00 N ATOM 155 CA TRP A 30 5.126 10.725 3.845 1.00 0.00 C ATOM 156 C TRP A 30 4.704 10.557 2.372 1.00 0.00 C ATOM 157 O TRP A 30 3.585 10.910 1.994 1.00 0.00 O ATOM 158 CB TRP A 30 4.610 9.565 4.707 1.00 0.00 C ATOM 159 CG TRP A 30 5.298 8.271 4.414 1.00 0.00 C ATOM 160 CD1 TRP A 30 4.985 7.439 3.399 1.00 0.00 C ATOM 161 CD2 TRP A 30 6.489 7.712 5.044 1.00 0.00 C ATOM 162 NE1 TRP A 30 5.907 6.411 3.341 1.00 0.00 N ATOM 163 CE2 TRP A 30 6.884 6.557 4.305 1.00 0.00 C ATOM 164 CE3 TRP A 30 7.302 8.096 6.131 1.00 0.00 C ATOM 165 CZ2 TRP A 30 8.056 5.847 4.601 1.00 0.00 C ATOM 166 CZ3 TRP A 30 8.470 7.376 6.452 1.00 0.00 C ATOM 167 CH2 TRP A 30 8.855 6.265 5.681 1.00 0.00 C ATOM 0 H TRP A 30 3.924 11.877 5.113 1.00 0.00 H new ATOM 0 HA TRP A 30 6.216 10.725 3.859 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.746 9.813 5.760 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.539 9.446 4.544 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.143 7.558 2.734 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.870 5.643 2.671 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.025 8.954 6.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 8.342 4.991 4.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 9.073 7.679 7.295 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.764 5.732 5.918 1.00 0.00 H new ATOM 178 N SER A 31 5.588 9.998 1.539 1.00 0.00 N ATOM 179 CA SER A 31 5.353 9.698 0.118 1.00 0.00 C ATOM 180 C SER A 31 4.385 8.519 -0.083 1.00 0.00 C ATOM 181 O SER A 31 4.785 7.352 -0.093 1.00 0.00 O ATOM 182 CB SER A 31 6.693 9.460 -0.599 1.00 0.00 C ATOM 183 OG SER A 31 7.504 8.509 0.078 1.00 0.00 O ATOM 0 H SER A 31 6.524 9.731 1.845 1.00 0.00 H new ATOM 0 HA SER A 31 4.867 10.565 -0.329 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.503 9.115 -1.615 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.233 10.404 -0.679 1.00 0.00 H new ATOM 0 HG SER A 31 6.963 7.726 0.313 1.00 0.00 H new ATOM 189 N GLU A 32 3.091 8.810 -0.220 1.00 0.00 N ATOM 190 CA GLU A 32 2.032 7.838 -0.526 1.00 0.00 C ATOM 191 C GLU A 32 1.921 7.538 -2.044 1.00 0.00 C ATOM 192 O GLU A 32 2.380 8.345 -2.866 1.00 0.00 O ATOM 193 CB GLU A 32 0.702 8.337 0.083 1.00 0.00 C ATOM 194 CG GLU A 32 -0.005 9.500 -0.631 1.00 0.00 C ATOM 195 CD GLU A 32 0.617 10.882 -0.344 1.00 0.00 C ATOM 196 OE1 GLU A 32 1.683 11.213 -0.919 1.00 0.00 O ATOM 197 OE2 GLU A 32 0.017 11.664 0.435 1.00 0.00 O ATOM 0 H GLU A 32 2.735 9.761 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 32 2.288 6.881 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.011 7.495 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.894 8.639 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.016 9.320 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.053 9.515 -0.330 1.00 0.00 H new ATOM 204 N PRO A 33 1.322 6.402 -2.459 1.00 0.00 N ATOM 205 CA PRO A 33 1.155 6.065 -3.878 1.00 0.00 C ATOM 206 C PRO A 33 0.044 6.878 -4.569 1.00 0.00 C ATOM 207 O PRO A 33 -0.857 7.419 -3.920 1.00 0.00 O ATOM 208 CB PRO A 33 0.845 4.567 -3.885 1.00 0.00 C ATOM 209 CG PRO A 33 0.119 4.348 -2.559 1.00 0.00 C ATOM 210 CD PRO A 33 0.851 5.303 -1.621 1.00 0.00 C ATOM 0 HA PRO A 33 2.052 6.311 -4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.221 4.290 -4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.754 3.969 -3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.942 4.586 -2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.191 3.314 -2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.187 5.666 -0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.684 4.803 -1.127 1.00 0.00 H new ATOM 218 N VAL A 34 0.074 6.925 -5.908 1.00 0.00 N ATOM 219 CA VAL A 34 -0.936 7.600 -6.750 1.00 0.00 C ATOM 220 C VAL A 34 -2.060 6.645 -7.171 1.00 0.00 C ATOM 221 O VAL A 34 -1.809 5.518 -7.608 1.00 0.00 O ATOM 222 CB VAL A 34 -0.276 8.292 -7.960 1.00 0.00 C ATOM 223 CG1 VAL A 34 0.262 7.323 -9.019 1.00 0.00 C ATOM 224 CG2 VAL A 34 -1.225 9.284 -8.641 1.00 0.00 C ATOM 0 H VAL A 34 0.816 6.486 -6.453 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.403 8.378 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 34 0.575 8.822 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.710 7.889 -9.836 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.015 6.675 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.556 6.715 -9.405 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.720 9.748 -9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.112 8.756 -8.993 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.520 10.054 -7.928 1.00 0.00 H new ATOM 234 N LYS A 35 -3.313 7.095 -7.037 1.00 0.00 N ATOM 235 CA LYS A 35 -4.511 6.371 -7.503 1.00 0.00 C ATOM 236 C LYS A 35 -4.600 6.404 -9.038 1.00 0.00 C ATOM 237 O LYS A 35 -4.274 7.418 -9.657 1.00 0.00 O ATOM 238 CB LYS A 35 -5.758 7.001 -6.850 1.00 0.00 C ATOM 239 CG LYS A 35 -6.981 6.070 -6.924 1.00 0.00 C ATOM 240 CD LYS A 35 -8.311 6.764 -6.613 1.00 0.00 C ATOM 241 CE LYS A 35 -8.395 7.204 -5.145 1.00 0.00 C ATOM 242 NZ LYS A 35 -9.687 7.878 -4.846 1.00 0.00 N ATOM 0 H LYS A 35 -3.531 7.988 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.449 5.323 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.542 7.234 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.990 7.944 -7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.034 5.635 -7.922 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.841 5.246 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.427 7.633 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.135 6.087 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.279 6.335 -4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.571 7.881 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.708 8.161 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.786 8.721 -5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.472 7.223 -5.037 1.00 0.00 H new ATOM 256 N GLY A 36 -5.089 5.328 -9.659 1.00 0.00 N ATOM 257 CA GLY A 36 -5.250 5.229 -11.121 1.00 0.00 C ATOM 258 C GLY A 36 -6.567 5.788 -11.694 1.00 0.00 C ATOM 259 O GLY A 36 -6.706 5.857 -12.915 1.00 0.00 O ATOM 0 H GLY A 36 -5.389 4.490 -9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.419 5.753 -11.595 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.169 4.180 -11.405 1.00 0.00 H new ATOM 263 N LEU A 37 -7.526 6.190 -10.843 1.00 0.00 N ATOM 264 CA LEU A 37 -8.856 6.744 -11.195 1.00 0.00 C ATOM 265 C LEU A 37 -9.726 5.822 -12.093 1.00 0.00 C ATOM 266 O LEU A 37 -10.674 6.275 -12.741 1.00 0.00 O ATOM 267 CB LEU A 37 -8.710 8.189 -11.752 1.00 0.00 C ATOM 268 CG LEU A 37 -8.487 9.339 -10.750 1.00 0.00 C ATOM 269 CD1 LEU A 37 -9.657 9.503 -9.776 1.00 0.00 C ATOM 270 CD2 LEU A 37 -7.191 9.221 -9.951 1.00 0.00 C ATOM 0 H LEU A 37 -7.392 6.136 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.427 6.794 -10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.875 8.192 -12.453 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.609 8.417 -12.325 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.413 10.225 -11.380 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.449 10.326 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.568 9.717 -10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.788 8.583 -9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.106 10.067 -9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.199 8.293 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.341 9.219 -10.634 1.00 0.00 H new ATOM 282 N CYS A 38 -9.427 4.520 -12.131 1.00 0.00 N ATOM 283 CA CYS A 38 -10.156 3.525 -12.935 1.00 0.00 C ATOM 284 C CYS A 38 -11.536 3.175 -12.331 1.00 0.00 C ATOM 285 O CYS A 38 -11.829 3.496 -11.174 1.00 0.00 O ATOM 286 CB CYS A 38 -9.310 2.248 -13.061 1.00 0.00 C ATOM 287 SG CYS A 38 -7.561 2.496 -13.474 1.00 0.00 S ATOM 0 H CYS A 38 -8.658 4.117 -11.595 1.00 0.00 H new ATOM 0 HA CYS A 38 -10.332 3.963 -13.917 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.367 1.703 -12.119 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.758 1.612 -13.825 1.00 0.00 H new ATOM 292 N LYS A 39 -12.368 2.448 -13.093 1.00 0.00 N ATOM 293 CA LYS A 39 -13.644 1.878 -12.610 1.00 0.00 C ATOM 294 C LYS A 39 -13.439 0.747 -11.586 1.00 0.00 C ATOM 295 O LYS A 39 -14.179 0.665 -10.605 1.00 0.00 O ATOM 296 CB LYS A 39 -14.496 1.389 -13.796 1.00 0.00 C ATOM 297 CG LYS A 39 -14.916 2.544 -14.721 1.00 0.00 C ATOM 298 CD LYS A 39 -15.918 2.074 -15.785 1.00 0.00 C ATOM 299 CE LYS A 39 -16.311 3.251 -16.689 1.00 0.00 C ATOM 300 NZ LYS A 39 -17.342 2.857 -17.685 1.00 0.00 N ATOM 0 H LYS A 39 -12.176 2.235 -14.072 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.175 2.677 -12.093 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.931 0.653 -14.369 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.386 0.885 -13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.361 3.343 -14.128 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.035 2.961 -15.208 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.479 1.276 -16.383 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.805 1.661 -15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.690 4.070 -16.077 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.427 3.623 -17.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.583 3.677 -18.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.971 2.093 -18.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.194 2.526 -17.190 1.00 0.00 H new ATOM 314 N ALA A 40 -12.444 -0.115 -11.809 1.00 0.00 N ATOM 315 CA ALA A 40 -12.066 -1.208 -10.908 1.00 0.00 C ATOM 316 C ALA A 40 -11.255 -0.730 -9.680 1.00 0.00 C ATOM 317 O ALA A 40 -10.604 0.320 -9.714 1.00 0.00 O ATOM 318 CB ALA A 40 -11.262 -2.234 -11.722 1.00 0.00 C ATOM 0 H ALA A 40 -11.862 -0.071 -12.645 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.975 -1.653 -10.504 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.967 -3.060 -11.076 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.877 -2.613 -12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.371 -1.757 -12.131 1.00 0.00 H new ATOM 324 N ARG A 41 -11.231 -1.552 -8.619 1.00 0.00 N ATOM 325 CA ARG A 41 -10.418 -1.370 -7.400 1.00 0.00 C ATOM 326 C ARG A 41 -9.663 -2.655 -7.023 1.00 0.00 C ATOM 327 O ARG A 41 -10.171 -3.510 -6.297 1.00 0.00 O ATOM 328 CB ARG A 41 -11.238 -0.732 -6.254 1.00 0.00 C ATOM 329 CG ARG A 41 -12.506 -1.489 -5.815 1.00 0.00 C ATOM 330 CD ARG A 41 -13.335 -0.706 -4.786 1.00 0.00 C ATOM 331 NE ARG A 41 -12.727 -0.670 -3.435 1.00 0.00 N ATOM 332 CZ ARG A 41 -13.253 -0.093 -2.365 1.00 0.00 C ATOM 333 NH1 ARG A 41 -14.380 0.561 -2.425 1.00 0.00 N ATOM 334 NH2 ARG A 41 -12.678 -0.150 -1.198 1.00 0.00 N ATOM 0 H ARG A 41 -11.800 -2.398 -8.583 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.634 -0.643 -7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.587 -0.625 -5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.529 0.273 -6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.122 -1.697 -6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.221 -2.451 -5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.469 0.316 -5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.327 -1.152 -4.717 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.824 -1.130 -3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.879 0.638 -3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.763 0.996 -1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.796 -0.650 -1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.110 0.305 -0.394 1.00 0.00 H new ATOM 348 N PHE A 42 -8.444 -2.793 -7.549 1.00 0.00 N ATOM 349 CA PHE A 42 -7.479 -3.836 -7.164 1.00 0.00 C ATOM 350 C PHE A 42 -7.083 -3.734 -5.678 1.00 0.00 C ATOM 351 O PHE A 42 -7.421 -2.757 -5.008 1.00 0.00 O ATOM 352 CB PHE A 42 -6.214 -3.727 -8.037 1.00 0.00 C ATOM 353 CG PHE A 42 -6.412 -3.550 -9.533 1.00 0.00 C ATOM 354 CD1 PHE A 42 -7.426 -4.245 -10.224 1.00 0.00 C ATOM 355 CD2 PHE A 42 -5.554 -2.688 -10.244 1.00 0.00 C ATOM 356 CE1 PHE A 42 -7.599 -4.051 -11.606 1.00 0.00 C ATOM 357 CE2 PHE A 42 -5.724 -2.498 -11.626 1.00 0.00 C ATOM 358 CZ PHE A 42 -6.751 -3.175 -12.306 1.00 0.00 C ATOM 0 H PHE A 42 -8.088 -2.169 -8.273 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.961 -4.801 -7.319 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.625 -2.885 -7.673 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.617 -4.626 -7.880 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.071 -4.928 -9.691 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.761 -2.170 -9.724 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.384 -4.576 -12.130 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.066 -1.832 -12.165 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.889 -3.022 -13.366 1.00 0.00 H new ATOM 368 N THR A 43 -6.302 -4.693 -5.173 1.00 0.00 N ATOM 369 CA THR A 43 -5.799 -4.716 -3.787 1.00 0.00 C ATOM 370 C THR A 43 -4.272 -4.786 -3.777 1.00 0.00 C ATOM 371 O THR A 43 -3.691 -5.816 -4.132 1.00 0.00 O ATOM 372 CB THR A 43 -6.405 -5.886 -2.986 1.00 0.00 C ATOM 373 OG1 THR A 43 -7.809 -5.954 -3.156 1.00 0.00 O ATOM 374 CG2 THR A 43 -6.148 -5.733 -1.487 1.00 0.00 C ATOM 0 H THR A 43 -5.992 -5.494 -5.724 1.00 0.00 H new ATOM 0 HA THR A 43 -6.110 -3.791 -3.302 1.00 0.00 H new ATOM 0 HB THR A 43 -5.926 -6.788 -3.366 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.165 -6.706 -2.638 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.589 -6.575 -0.954 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.074 -5.709 -1.303 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.597 -4.805 -1.134 1.00 0.00 H new ATOM 382 N ARG A 44 -3.610 -3.685 -3.406 1.00 0.00 N ATOM 383 CA ARG A 44 -2.151 -3.603 -3.199 1.00 0.00 C ATOM 384 C ARG A 44 -1.818 -3.404 -1.726 1.00 0.00 C ATOM 385 O ARG A 44 -2.617 -2.845 -0.975 1.00 0.00 O ATOM 386 CB ARG A 44 -1.563 -2.426 -3.992 1.00 0.00 C ATOM 387 CG ARG A 44 -1.657 -2.525 -5.517 1.00 0.00 C ATOM 388 CD ARG A 44 -0.966 -3.743 -6.131 1.00 0.00 C ATOM 389 NE ARG A 44 -1.894 -4.876 -6.257 1.00 0.00 N ATOM 390 CZ ARG A 44 -2.637 -5.206 -7.295 1.00 0.00 C ATOM 391 NH1 ARG A 44 -2.751 -4.446 -8.348 1.00 0.00 N ATOM 392 NH2 ARG A 44 -3.305 -6.323 -7.280 1.00 0.00 N ATOM 0 H ARG A 44 -4.084 -2.798 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.719 -4.542 -3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.068 -1.513 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.513 -2.320 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.709 -2.542 -5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.225 -1.624 -5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.571 -3.483 -7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.117 -4.033 -5.512 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.973 -5.482 -5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.254 -3.556 -8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.337 -4.741 -9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.252 -6.938 -6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.881 -6.583 -8.080 1.00 0.00 H new ATOM 406 N TYR A 45 -0.598 -3.769 -1.348 1.00 0.00 N ATOM 407 CA TYR A 45 -0.043 -3.545 -0.014 1.00 0.00 C ATOM 408 C TYR A 45 1.230 -2.697 -0.107 1.00 0.00 C ATOM 409 O TYR A 45 2.051 -2.879 -1.006 1.00 0.00 O ATOM 410 CB TYR A 45 0.192 -4.894 0.679 1.00 0.00 C ATOM 411 CG TYR A 45 -1.072 -5.728 0.819 1.00 0.00 C ATOM 412 CD1 TYR A 45 -1.914 -5.558 1.937 1.00 0.00 C ATOM 413 CD2 TYR A 45 -1.428 -6.644 -0.191 1.00 0.00 C ATOM 414 CE1 TYR A 45 -3.093 -6.321 2.057 1.00 0.00 C ATOM 415 CE2 TYR A 45 -2.610 -7.400 -0.080 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.444 -7.244 1.047 1.00 0.00 C ATOM 417 OH TYR A 45 -4.584 -7.981 1.148 1.00 0.00 O ATOM 0 H TYR A 45 0.052 -4.242 -1.976 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.751 -2.984 0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.932 -5.461 0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.614 -4.717 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.655 -4.842 2.703 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.791 -6.766 -1.054 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.728 -6.200 2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.879 -8.100 -0.858 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.668 -8.563 0.364 1.00 0.00 H new ATOM 427 N TYR A 46 1.389 -1.753 0.816 1.00 0.00 N ATOM 428 CA TYR A 46 2.485 -0.785 0.841 1.00 0.00 C ATOM 429 C TYR A 46 3.032 -0.654 2.266 1.00 0.00 C ATOM 430 O TYR A 46 2.295 -0.287 3.185 1.00 0.00 O ATOM 431 CB TYR A 46 1.991 0.582 0.333 1.00 0.00 C ATOM 432 CG TYR A 46 1.712 0.686 -1.159 1.00 0.00 C ATOM 433 CD1 TYR A 46 0.431 0.391 -1.671 1.00 0.00 C ATOM 434 CD2 TYR A 46 2.715 1.159 -2.028 1.00 0.00 C ATOM 435 CE1 TYR A 46 0.144 0.606 -3.034 1.00 0.00 C ATOM 436 CE2 TYR A 46 2.436 1.363 -3.394 1.00 0.00 C ATOM 437 CZ TYR A 46 1.142 1.103 -3.897 1.00 0.00 C ATOM 438 OH TYR A 46 0.851 1.336 -5.207 1.00 0.00 O ATOM 0 H TYR A 46 0.739 -1.636 1.593 1.00 0.00 H new ATOM 0 HA TYR A 46 3.284 -1.134 0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.078 0.837 0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.735 1.334 0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.333 -0.001 -1.016 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.703 1.366 -1.645 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.842 0.390 -3.418 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.212 1.718 -4.056 1.00 0.00 H new ATOM 0 HH TYR A 46 1.648 1.678 -5.663 1.00 0.00 H new ATOM 448 N CYS A 47 4.322 -0.942 2.464 1.00 0.00 N ATOM 449 CA CYS A 47 5.012 -0.597 3.706 1.00 0.00 C ATOM 450 C CYS A 47 5.186 0.930 3.823 1.00 0.00 C ATOM 451 O CYS A 47 6.120 1.520 3.273 1.00 0.00 O ATOM 452 CB CYS A 47 6.351 -1.325 3.826 1.00 0.00 C ATOM 453 SG CYS A 47 7.196 -0.902 5.372 1.00 0.00 S ATOM 0 H CYS A 47 4.909 -1.415 1.777 1.00 0.00 H new ATOM 0 HA CYS A 47 4.393 -0.931 4.539 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.187 -2.402 3.782 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.986 -1.064 2.979 1.00 0.00 H new ATOM 458 N MET A 48 4.271 1.575 4.544 1.00 0.00 N ATOM 459 CA MET A 48 4.342 2.979 4.940 1.00 0.00 C ATOM 460 C MET A 48 5.295 3.106 6.144 1.00 0.00 C ATOM 461 O MET A 48 4.882 3.083 7.305 1.00 0.00 O ATOM 462 CB MET A 48 2.920 3.510 5.209 1.00 0.00 C ATOM 463 CG MET A 48 2.002 3.396 3.977 1.00 0.00 C ATOM 464 SD MET A 48 2.474 4.366 2.514 1.00 0.00 S ATOM 465 CE MET A 48 1.897 6.007 3.032 1.00 0.00 C ATOM 0 H MET A 48 3.426 1.115 4.882 1.00 0.00 H new ATOM 0 HA MET A 48 4.752 3.600 4.144 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.480 2.956 6.038 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.978 4.553 5.519 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.950 2.347 3.687 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.996 3.695 4.273 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.092 6.729 2.239 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.826 5.970 3.233 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.425 6.310 3.936 1.00 0.00 H new ATOM 475 N GLY A 49 6.601 3.150 5.860 1.00 0.00 N ATOM 476 CA GLY A 49 7.700 3.301 6.824 1.00 0.00 C ATOM 477 C GLY A 49 8.025 2.034 7.622 1.00 0.00 C ATOM 478 O GLY A 49 9.102 1.455 7.465 1.00 0.00 O ATOM 0 H GLY A 49 6.940 3.077 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.595 3.617 6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.447 4.099 7.522 1.00 0.00 H new ATOM 482 N ASN A 50 7.102 1.615 8.488 1.00 0.00 N ATOM 483 CA ASN A 50 7.231 0.454 9.381 1.00 0.00 C ATOM 484 C ASN A 50 6.002 -0.482 9.379 1.00 0.00 C ATOM 485 O ASN A 50 6.049 -1.544 10.003 1.00 0.00 O ATOM 486 CB ASN A 50 7.585 0.958 10.796 1.00 0.00 C ATOM 487 CG ASN A 50 6.517 1.847 11.419 1.00 0.00 C ATOM 488 OD1 ASN A 50 5.362 1.474 11.573 1.00 0.00 O ATOM 489 ND2 ASN A 50 6.858 3.056 11.803 1.00 0.00 N ATOM 0 H ASN A 50 6.206 2.092 8.594 1.00 0.00 H new ATOM 0 HA ASN A 50 8.036 -0.175 9.001 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.753 0.099 11.446 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.523 1.511 10.750 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.163 3.672 12.224 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.818 3.378 11.680 1.00 0.00 H new ATOM 496 N CYS A 51 4.920 -0.126 8.673 1.00 0.00 N ATOM 497 CA CYS A 51 3.649 -0.858 8.677 1.00 0.00 C ATOM 498 C CYS A 51 3.093 -1.051 7.262 1.00 0.00 C ATOM 499 O CYS A 51 3.043 -0.114 6.464 1.00 0.00 O ATOM 500 CB CYS A 51 2.644 -0.085 9.532 1.00 0.00 C ATOM 501 SG CYS A 51 1.234 -1.042 10.143 1.00 0.00 S ATOM 0 H CYS A 51 4.905 0.697 8.071 1.00 0.00 H new ATOM 0 HA CYS A 51 3.822 -1.851 9.092 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.171 0.337 10.388 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.265 0.753 8.946 1.00 0.00 H new ATOM 506 N CYS A 52 2.644 -2.266 6.962 1.00 0.00 N ATOM 507 CA CYS A 52 2.007 -2.631 5.695 1.00 0.00 C ATOM 508 C CYS A 52 0.518 -2.245 5.686 1.00 0.00 C ATOM 509 O CYS A 52 -0.330 -3.003 6.166 1.00 0.00 O ATOM 510 CB CYS A 52 2.191 -4.127 5.430 1.00 0.00 C ATOM 511 SG CYS A 52 3.838 -4.617 4.865 1.00 0.00 S ATOM 0 H CYS A 52 2.714 -3.049 7.612 1.00 0.00 H new ATOM 0 HA CYS A 52 2.490 -2.073 4.893 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.962 -4.672 6.346 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.461 -4.439 4.683 1.00 0.00 H new ATOM 516 N LYS A 53 0.193 -1.073 5.134 1.00 0.00 N ATOM 517 CA LYS A 53 -1.191 -0.661 4.841 1.00 0.00 C ATOM 518 C LYS A 53 -1.669 -1.251 3.510 1.00 0.00 C ATOM 519 O LYS A 53 -0.863 -1.558 2.630 1.00 0.00 O ATOM 520 CB LYS A 53 -1.285 0.875 4.848 1.00 0.00 C ATOM 521 CG LYS A 53 -1.284 1.388 6.296 1.00 0.00 C ATOM 522 CD LYS A 53 -1.279 2.921 6.421 1.00 0.00 C ATOM 523 CE LYS A 53 -2.520 3.621 5.845 1.00 0.00 C ATOM 524 NZ LYS A 53 -3.745 3.354 6.648 1.00 0.00 N ATOM 0 H LYS A 53 0.888 -0.373 4.873 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.851 -1.050 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.445 1.303 4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.194 1.196 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.162 0.996 6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.409 0.990 6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.187 3.185 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.394 3.309 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.342 4.696 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.680 3.286 4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.555 3.847 6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.932 2.331 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.605 3.697 7.620 1.00 0.00 H new ATOM 538 N VAL A 54 -2.988 -1.377 3.352 1.00 0.00 N ATOM 539 CA VAL A 54 -3.646 -1.798 2.102 1.00 0.00 C ATOM 540 C VAL A 54 -4.218 -0.582 1.361 1.00 0.00 C ATOM 541 O VAL A 54 -4.667 0.382 1.986 1.00 0.00 O ATOM 542 CB VAL A 54 -4.701 -2.890 2.383 1.00 0.00 C ATOM 543 CG1 VAL A 54 -5.980 -2.377 3.047 1.00 0.00 C ATOM 544 CG2 VAL A 54 -5.104 -3.637 1.111 1.00 0.00 C ATOM 0 H VAL A 54 -3.649 -1.186 4.105 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.907 -2.248 1.439 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.199 -3.558 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.665 -3.209 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.734 -1.919 4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.453 -1.637 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.848 -4.396 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.526 -2.933 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.226 -4.116 0.677 1.00 0.00 H new ATOM 554 N TYR A 55 -4.181 -0.623 0.029 1.00 0.00 N ATOM 555 CA TYR A 55 -4.619 0.444 -0.876 1.00 0.00 C ATOM 556 C TYR A 55 -5.432 -0.141 -2.038 1.00 0.00 C ATOM 557 O TYR A 55 -5.013 -1.109 -2.679 1.00 0.00 O ATOM 558 CB TYR A 55 -3.392 1.215 -1.391 1.00 0.00 C ATOM 559 CG TYR A 55 -2.842 2.253 -0.426 1.00 0.00 C ATOM 560 CD1 TYR A 55 -1.962 1.888 0.616 1.00 0.00 C ATOM 561 CD2 TYR A 55 -3.223 3.602 -0.575 1.00 0.00 C ATOM 562 CE1 TYR A 55 -1.469 2.867 1.500 1.00 0.00 C ATOM 563 CE2 TYR A 55 -2.739 4.582 0.312 1.00 0.00 C ATOM 564 CZ TYR A 55 -1.863 4.215 1.357 1.00 0.00 C ATOM 565 OH TYR A 55 -1.415 5.149 2.240 1.00 0.00 O ATOM 0 H TYR A 55 -3.829 -1.438 -0.473 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.264 1.136 -0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.602 0.500 -1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.657 1.711 -2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.666 0.856 0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.891 3.886 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.788 2.586 2.289 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.037 5.613 0.193 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.778 6.027 2.000 1.00 0.00 H new ATOM 575 N GLU A 56 -6.601 0.450 -2.308 1.00 0.00 N ATOM 576 CA GLU A 56 -7.546 -0.003 -3.338 1.00 0.00 C ATOM 577 C GLU A 56 -8.024 1.173 -4.211 1.00 0.00 C ATOM 578 O GLU A 56 -8.543 2.167 -3.698 1.00 0.00 O ATOM 579 CB GLU A 56 -8.757 -0.741 -2.734 1.00 0.00 C ATOM 580 CG GLU A 56 -8.482 -1.714 -1.569 1.00 0.00 C ATOM 581 CD GLU A 56 -9.104 -1.166 -0.275 1.00 0.00 C ATOM 582 OE1 GLU A 56 -10.349 -1.259 -0.138 1.00 0.00 O ATOM 583 OE2 GLU A 56 -8.372 -0.618 0.583 1.00 0.00 O ATOM 0 H GLU A 56 -6.925 1.276 -1.805 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.005 -0.711 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.470 0.007 -2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.244 -1.300 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.899 -2.695 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.408 -1.846 -1.439 1.00 0.00 H new ATOM 590 N GLY A 57 -7.812 1.081 -5.529 1.00 0.00 N ATOM 591 CA GLY A 57 -8.009 2.198 -6.470 1.00 0.00 C ATOM 592 C GLY A 57 -7.089 2.142 -7.694 1.00 0.00 C ATOM 593 O GLY A 57 -6.397 3.110 -8.013 1.00 0.00 O ATOM 0 H GLY A 57 -7.496 0.222 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.046 2.200 -6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.843 3.138 -5.944 1.00 0.00 H new ATOM 597 N CYS A 58 -7.076 0.997 -8.383 1.00 0.00 N ATOM 598 CA CYS A 58 -6.293 0.742 -9.602 1.00 0.00 C ATOM 599 C CYS A 58 -4.759 0.857 -9.415 1.00 0.00 C ATOM 600 O CYS A 58 -4.019 1.115 -10.364 1.00 0.00 O ATOM 601 CB CYS A 58 -6.852 1.633 -10.717 1.00 0.00 C ATOM 602 SG CYS A 58 -6.649 1.026 -12.411 1.00 0.00 S ATOM 0 H CYS A 58 -7.631 0.190 -8.098 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.410 -0.305 -9.882 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -7.916 1.783 -10.533 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.375 2.610 -10.645 1.00 0.00 H new ATOM 607 N TYR A 59 -4.274 0.685 -8.180 1.00 0.00 N ATOM 608 CA TYR A 59 -2.856 0.759 -7.811 1.00 0.00 C ATOM 609 C TYR A 59 -2.050 -0.408 -8.417 1.00 0.00 C ATOM 610 O TYR A 59 -2.474 -1.567 -8.368 1.00 0.00 O ATOM 611 CB TYR A 59 -2.727 0.770 -6.277 1.00 0.00 C ATOM 612 CG TYR A 59 -3.271 2.014 -5.593 1.00 0.00 C ATOM 613 CD1 TYR A 59 -2.458 3.155 -5.459 1.00 0.00 C ATOM 614 CD2 TYR A 59 -4.578 2.026 -5.073 1.00 0.00 C ATOM 615 CE1 TYR A 59 -2.951 4.306 -4.812 1.00 0.00 C ATOM 616 CE2 TYR A 59 -5.085 3.186 -4.452 1.00 0.00 C ATOM 617 CZ TYR A 59 -4.271 4.328 -4.316 1.00 0.00 C ATOM 618 OH TYR A 59 -4.761 5.439 -3.701 1.00 0.00 O ATOM 0 H TYR A 59 -4.878 0.484 -7.383 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.441 1.681 -8.217 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.246 -0.101 -5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.674 0.661 -6.016 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.453 3.149 -5.853 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.196 1.143 -5.150 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.317 5.173 -4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.099 3.199 -4.080 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.687 5.278 -3.423 1.00 0.00 H new ATOM 628 N THR A 60 -0.864 -0.114 -8.957 1.00 0.00 N ATOM 629 CA THR A 60 0.013 -1.085 -9.651 1.00 0.00 C ATOM 630 C THR A 60 1.473 -1.084 -9.172 1.00 0.00 C ATOM 631 O THR A 60 2.242 -1.964 -9.561 1.00 0.00 O ATOM 632 CB THR A 60 -0.028 -0.867 -11.178 1.00 0.00 C ATOM 633 OG1 THR A 60 0.281 0.476 -11.508 1.00 0.00 O ATOM 634 CG2 THR A 60 -1.405 -1.178 -11.768 1.00 0.00 C ATOM 0 H THR A 60 -0.470 0.826 -8.928 1.00 0.00 H new ATOM 0 HA THR A 60 -0.394 -2.063 -9.394 1.00 0.00 H new ATOM 0 HB THR A 60 0.712 -1.548 -11.597 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.250 0.589 -12.481 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.386 -1.010 -12.845 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.660 -2.219 -11.567 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.151 -0.527 -11.313 1.00 0.00 H new ATOM 642 N GLY A 61 1.868 -0.139 -8.308 1.00 0.00 N ATOM 643 CA GLY A 61 3.248 0.012 -7.812 1.00 0.00 C ATOM 644 C GLY A 61 3.553 -0.702 -6.485 1.00 0.00 C ATOM 645 O GLY A 61 4.718 -0.782 -6.090 1.00 0.00 O ATOM 0 H GLY A 61 1.227 0.556 -7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.933 -0.363 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.458 1.075 -7.690 1.00 0.00 H new ATOM 649 N GLY A 62 2.530 -1.210 -5.792 1.00 0.00 N ATOM 650 CA GLY A 62 2.646 -1.860 -4.480 1.00 0.00 C ATOM 651 C GLY A 62 2.935 -3.361 -4.550 1.00 0.00 C ATOM 652 O GLY A 62 2.929 -3.977 -5.621 1.00 0.00 O ATOM 0 H GLY A 62 1.570 -1.180 -6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.441 -1.374 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.720 -1.705 -3.926 1.00 0.00 H new ATOM 656 N TYR A 63 3.168 -3.958 -3.383 1.00 0.00 N ATOM 657 CA TYR A 63 3.364 -5.397 -3.203 1.00 0.00 C ATOM 658 C TYR A 63 2.054 -6.182 -3.393 1.00 0.00 C ATOM 659 O TYR A 63 0.958 -5.692 -3.092 1.00 0.00 O ATOM 660 CB TYR A 63 3.951 -5.647 -1.805 1.00 0.00 C ATOM 661 CG TYR A 63 5.396 -5.204 -1.644 1.00 0.00 C ATOM 662 CD1 TYR A 63 6.439 -6.109 -1.919 1.00 0.00 C ATOM 663 CD2 TYR A 63 5.700 -3.902 -1.195 1.00 0.00 C ATOM 664 CE1 TYR A 63 7.781 -5.735 -1.708 1.00 0.00 C ATOM 665 CE2 TYR A 63 7.040 -3.525 -0.979 1.00 0.00 C ATOM 666 CZ TYR A 63 8.085 -4.442 -1.229 1.00 0.00 C ATOM 667 OH TYR A 63 9.377 -4.074 -1.012 1.00 0.00 O ATOM 0 H TYR A 63 3.228 -3.438 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 63 4.057 -5.754 -3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.339 -5.126 -1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.883 -6.711 -1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.209 -7.095 -2.294 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.905 -3.193 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.576 -6.437 -1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.269 -2.532 -0.621 1.00 0.00 H new ATOM 0 HH TYR A 63 9.404 -3.151 -0.684 1.00 0.00 H new ATOM 677 N SER A 64 2.177 -7.423 -3.870 1.00 0.00 N ATOM 678 CA SER A 64 1.054 -8.322 -4.188 1.00 0.00 C ATOM 679 C SER A 64 0.309 -8.842 -2.951 1.00 0.00 C ATOM 680 O SER A 64 -0.897 -9.086 -3.018 1.00 0.00 O ATOM 681 CB SER A 64 1.568 -9.532 -4.983 1.00 0.00 C ATOM 682 OG SER A 64 2.312 -9.121 -6.122 1.00 0.00 O ATOM 0 H SER A 64 3.086 -7.847 -4.053 1.00 0.00 H new ATOM 0 HA SER A 64 0.349 -7.727 -4.769 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.194 -10.153 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.726 -10.147 -5.299 1.00 0.00 H new ATOM 0 HG SER A 64 2.628 -9.911 -6.608 1.00 0.00 H new ATOM 688 N ARG A 65 1.014 -9.012 -1.821 1.00 0.00 N ATOM 689 CA ARG A 65 0.494 -9.483 -0.525 1.00 0.00 C ATOM 690 C ARG A 65 1.125 -8.709 0.635 1.00 0.00 C ATOM 691 O ARG A 65 2.224 -8.170 0.500 1.00 0.00 O ATOM 692 CB ARG A 65 0.782 -10.988 -0.357 1.00 0.00 C ATOM 693 CG ARG A 65 0.198 -11.870 -1.471 1.00 0.00 C ATOM 694 CD ARG A 65 0.388 -13.356 -1.138 1.00 0.00 C ATOM 695 NE ARG A 65 -0.053 -14.222 -2.250 1.00 0.00 N ATOM 696 CZ ARG A 65 -0.181 -15.538 -2.234 1.00 0.00 C ATOM 697 NH1 ARG A 65 0.055 -16.247 -1.165 1.00 0.00 N ATOM 698 NH2 ARG A 65 -0.552 -16.179 -3.307 1.00 0.00 N ATOM 0 H ARG A 65 2.014 -8.815 -1.784 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.582 -9.312 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.861 -11.138 -0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.380 -11.319 0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.863 -11.652 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.685 -11.639 -2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.438 -13.549 -0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.175 -13.603 -0.238 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.284 -13.754 -3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.349 -15.788 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.055 -17.261 -1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.746 -15.665 -4.167 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.648 -17.194 -3.287 1.00 0.00 H new ATOM 712 N MET A 66 0.479 -8.732 1.802 1.00 0.00 N ATOM 713 CA MET A 66 1.006 -8.132 3.036 1.00 0.00 C ATOM 714 C MET A 66 2.319 -8.794 3.497 1.00 0.00 C ATOM 715 O MET A 66 3.232 -8.107 3.948 1.00 0.00 O ATOM 716 CB MET A 66 -0.073 -8.191 4.127 1.00 0.00 C ATOM 717 CG MET A 66 0.324 -7.368 5.359 1.00 0.00 C ATOM 718 SD MET A 66 -0.937 -7.252 6.661 1.00 0.00 S ATOM 719 CE MET A 66 -2.148 -6.168 5.852 1.00 0.00 C ATOM 0 H MET A 66 -0.434 -9.171 1.922 1.00 0.00 H new ATOM 0 HA MET A 66 1.255 -7.090 2.834 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.016 -7.817 3.728 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.239 -9.228 4.419 1.00 0.00 H new ATOM 0 HG2 MET A 66 1.226 -7.802 5.789 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.579 -6.359 5.034 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.927 -5.897 6.565 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.649 -5.266 5.498 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.596 -6.690 5.006 1.00 0.00 H new ATOM 729 N GLY A 67 2.457 -10.115 3.333 1.00 0.00 N ATOM 730 CA GLY A 67 3.688 -10.844 3.669 1.00 0.00 C ATOM 731 C GLY A 67 4.912 -10.390 2.862 1.00 0.00 C ATOM 732 O GLY A 67 6.020 -10.329 3.396 1.00 0.00 O ATOM 0 H GLY A 67 1.717 -10.711 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.897 -10.717 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.527 -11.909 3.501 1.00 0.00 H new ATOM 736 N GLU A 68 4.720 -10.033 1.588 1.00 0.00 N ATOM 737 CA GLU A 68 5.794 -9.607 0.680 1.00 0.00 C ATOM 738 C GLU A 68 6.406 -8.252 1.080 1.00 0.00 C ATOM 739 O GLU A 68 7.626 -8.092 1.011 1.00 0.00 O ATOM 740 CB GLU A 68 5.278 -9.551 -0.768 1.00 0.00 C ATOM 741 CG GLU A 68 4.822 -10.903 -1.334 1.00 0.00 C ATOM 742 CD GLU A 68 6.005 -11.865 -1.549 1.00 0.00 C ATOM 743 OE1 GLU A 68 6.755 -11.690 -2.540 1.00 0.00 O ATOM 744 OE2 GLU A 68 6.189 -12.797 -0.731 1.00 0.00 O ATOM 0 H GLU A 68 3.799 -10.031 1.150 1.00 0.00 H new ATOM 0 HA GLU A 68 6.588 -10.350 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.444 -8.851 -0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.066 -9.152 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.104 -11.358 -0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.306 -10.745 -2.281 1.00 0.00 H new ATOM 751 N CYS A 69 5.597 -7.290 1.544 1.00 0.00 N ATOM 752 CA CYS A 69 6.116 -6.048 2.133 1.00 0.00 C ATOM 753 C CYS A 69 6.662 -6.269 3.557 1.00 0.00 C ATOM 754 O CYS A 69 7.730 -5.751 3.893 1.00 0.00 O ATOM 755 CB CYS A 69 5.058 -4.935 2.057 1.00 0.00 C ATOM 756 SG CYS A 69 3.490 -5.166 2.932 1.00 0.00 S ATOM 0 H CYS A 69 4.579 -7.348 1.523 1.00 0.00 H new ATOM 0 HA CYS A 69 6.971 -5.718 1.543 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.514 -4.019 2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.828 -4.769 1.005 1.00 0.00 H new ATOM 761 N ALA A 70 5.981 -7.072 4.384 1.00 0.00 N ATOM 762 CA ALA A 70 6.339 -7.298 5.787 1.00 0.00 C ATOM 763 C ALA A 70 7.705 -7.986 5.975 1.00 0.00 C ATOM 764 O ALA A 70 8.443 -7.628 6.895 1.00 0.00 O ATOM 765 CB ALA A 70 5.219 -8.097 6.462 1.00 0.00 C ATOM 0 H ALA A 70 5.153 -7.590 4.091 1.00 0.00 H new ATOM 0 HA ALA A 70 6.445 -6.322 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.475 -8.271 7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.287 -7.535 6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.098 -9.054 5.954 1.00 0.00 H new ATOM 771 N ARG A 71 8.074 -8.941 5.103 1.00 0.00 N ATOM 772 CA ARG A 71 9.393 -9.608 5.134 1.00 0.00 C ATOM 773 C ARG A 71 10.566 -8.689 4.756 1.00 0.00 C ATOM 774 O ARG A 71 11.691 -8.920 5.198 1.00 0.00 O ATOM 775 CB ARG A 71 9.369 -10.884 4.269 1.00 0.00 C ATOM 776 CG ARG A 71 9.357 -10.621 2.754 1.00 0.00 C ATOM 777 CD ARG A 71 9.241 -11.930 1.968 1.00 0.00 C ATOM 778 NE ARG A 71 9.362 -11.695 0.515 1.00 0.00 N ATOM 779 CZ ARG A 71 9.663 -12.589 -0.413 1.00 0.00 C ATOM 780 NH1 ARG A 71 9.872 -13.844 -0.127 1.00 0.00 N ATOM 781 NH2 ARG A 71 9.780 -12.236 -1.659 1.00 0.00 N ATOM 0 H ARG A 71 7.467 -9.274 4.355 1.00 0.00 H new ATOM 0 HA ARG A 71 9.575 -9.886 6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.240 -11.491 4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.488 -11.470 4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.522 -9.967 2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.269 -10.099 2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.018 -12.622 2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.283 -12.403 2.184 1.00 0.00 H new ATOM 0 HE ARG A 71 9.196 -10.742 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.805 -14.165 0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.102 -14.505 -0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.639 -11.262 -1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.012 -12.933 -2.367 1.00 0.00 H new ATOM 795 N ASN A 72 10.309 -7.658 3.944 1.00 0.00 N ATOM 796 CA ASN A 72 11.298 -6.664 3.515 1.00 0.00 C ATOM 797 C ASN A 72 11.485 -5.543 4.556 1.00 0.00 C ATOM 798 O ASN A 72 12.619 -5.199 4.900 1.00 0.00 O ATOM 799 CB ASN A 72 10.882 -6.097 2.143 1.00 0.00 C ATOM 800 CG ASN A 72 11.294 -7.013 1.003 1.00 0.00 C ATOM 801 OD1 ASN A 72 12.461 -7.101 0.644 1.00 0.00 O ATOM 802 ND2 ASN A 72 10.378 -7.721 0.386 1.00 0.00 N ATOM 0 H ASN A 72 9.381 -7.487 3.556 1.00 0.00 H new ATOM 0 HA ASN A 72 12.267 -7.155 3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.802 -5.954 2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.336 -5.116 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.642 -8.336 -0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.402 -7.656 0.676 1.00 0.00 H new ATOM 809 N CYS A 73 10.387 -4.963 5.050 1.00 0.00 N ATOM 810 CA CYS A 73 10.396 -3.894 6.056 1.00 0.00 C ATOM 811 C CYS A 73 10.803 -4.365 7.478 1.00 0.00 C ATOM 812 O CYS A 73 10.822 -5.570 7.753 1.00 0.00 O ATOM 813 CB CYS A 73 9.020 -3.211 6.039 1.00 0.00 C ATOM 814 SG CYS A 73 9.055 -1.658 5.113 1.00 0.00 S ATOM 0 H CYS A 73 9.447 -5.228 4.756 1.00 0.00 H new ATOM 0 HA CYS A 73 11.174 -3.179 5.789 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.286 -3.883 5.595 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.697 -3.017 7.062 1.00 0.00 H new ATOM 819 N PRO A 74 11.122 -3.433 8.406 1.00 0.00 N ATOM 820 CA PRO A 74 11.592 -3.772 9.757 1.00 0.00 C ATOM 821 C PRO A 74 10.497 -4.316 10.697 1.00 0.00 C ATOM 822 O PRO A 74 10.814 -5.055 11.635 1.00 0.00 O ATOM 823 CB PRO A 74 12.193 -2.473 10.309 1.00 0.00 C ATOM 824 CG PRO A 74 11.431 -1.375 9.573 1.00 0.00 C ATOM 825 CD PRO A 74 11.205 -1.990 8.195 1.00 0.00 C ATOM 0 HA PRO A 74 12.311 -4.589 9.700 1.00 0.00 H new ATOM 0 HB2 PRO A 74 12.059 -2.398 11.388 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.264 -2.415 10.116 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.490 -1.133 10.068 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.007 -0.451 9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.289 -1.609 7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 74 12.022 -1.741 7.518 1.00 0.00 H new ATOM 833 N GLY A 75 9.222 -3.978 10.449 1.00 0.00 N ATOM 834 CA GLY A 75 8.058 -4.329 11.284 1.00 0.00 C ATOM 835 C GLY A 75 8.158 -3.844 12.737 1.00 0.00 C ATOM 836 O GLY A 75 7.809 -4.632 13.644 1.00 0.00 O ATOM 837 OXT GLY A 75 8.557 -2.678 12.960 1.00 0.00 O ATOM 0 H GLY A 75 8.961 -3.431 9.629 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.160 -3.907 10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.936 -5.412 11.282 1.00 0.00 H new TER 841 GLY A 75