USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 1.13 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -17:sc= 1.02 USER MOD Single : A 8 SER OG : rot -58:sc= 0.0944 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 20 TYR OH : rot 165:sc= -0.16 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 31 GLN : amide:sc= -0.0555 X(o=-0.056,f=-0.056) USER MOD Single : A 33 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.16) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0102 USER MOD Single : A 41 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.56) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-5.1!) USER MOD Single : A 50 ASN : amide:sc= -0.048 X(o=-0.048,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 10:sc= -2.49! USER MOD Single : A 61 THR OG1 : rot 66:sc= 0.00237 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.903 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 148:sc=0.000396 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.517 18.970 1.113 1.00 0.00 N ATOM 2 CA GLY A 1 17.989 19.190 2.468 1.00 0.00 C ATOM 3 C GLY A 1 17.364 18.233 3.463 1.00 0.00 C ATOM 4 O GLY A 1 16.306 18.515 4.025 1.00 0.00 O ATOM 0 H1 GLY A 1 17.974 19.649 0.472 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.752 18.001 0.816 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.486 19.102 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.073 19.079 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.766 20.215 2.765 1.00 0.00 H new ATOM 8 N SER A 2 18.017 17.096 3.679 1.00 0.00 N ATOM 9 CA SER A 2 17.516 16.091 4.609 1.00 0.00 C ATOM 10 C SER A 2 18.299 16.123 5.918 1.00 0.00 C ATOM 11 O SER A 2 19.229 15.342 6.117 1.00 0.00 O ATOM 12 CB SER A 2 17.604 14.698 3.983 1.00 0.00 C ATOM 13 OG SER A 2 18.952 14.284 3.846 1.00 0.00 O ATOM 0 H SER A 2 18.895 16.848 3.222 1.00 0.00 H new ATOM 0 HA SER A 2 16.472 16.320 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.062 13.983 4.602 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.121 14.704 3.006 1.00 0.00 H new ATOM 0 HG SER A 2 19.459 14.551 4.641 1.00 0.00 H new ATOM 19 N SER A 3 17.915 17.033 6.808 1.00 0.00 N ATOM 20 CA SER A 3 18.582 17.171 8.097 1.00 0.00 C ATOM 21 C SER A 3 17.654 16.759 9.236 1.00 0.00 C ATOM 22 O SER A 3 16.461 16.540 9.031 1.00 0.00 O ATOM 23 CB SER A 3 19.049 18.614 8.301 1.00 0.00 C ATOM 24 OG SER A 3 20.236 18.873 7.571 1.00 0.00 O ATOM 0 H SER A 3 17.145 17.686 6.660 1.00 0.00 H new ATOM 0 HA SER A 3 19.450 16.511 8.102 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.265 19.302 7.983 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.223 18.797 9.361 1.00 0.00 H new ATOM 0 HG SER A 3 20.513 19.802 7.716 1.00 0.00 H new ATOM 30 N GLY A 4 18.213 16.656 10.438 1.00 0.00 N ATOM 31 CA GLY A 4 17.423 16.270 11.593 1.00 0.00 C ATOM 32 C GLY A 4 16.430 17.341 12.000 1.00 0.00 C ATOM 33 O GLY A 4 16.746 18.216 12.806 1.00 0.00 O ATOM 0 H GLY A 4 19.199 16.833 10.633 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.887 15.347 11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.088 16.058 12.430 1.00 0.00 H new ATOM 37 N SER A 5 15.226 17.273 11.440 1.00 0.00 N ATOM 38 CA SER A 5 14.186 18.248 11.745 1.00 0.00 C ATOM 39 C SER A 5 12.799 17.641 11.553 1.00 0.00 C ATOM 40 O SER A 5 12.624 16.700 10.779 1.00 0.00 O ATOM 41 CB SER A 5 14.341 19.486 10.859 1.00 0.00 C ATOM 42 OG SER A 5 13.620 20.585 11.388 1.00 0.00 O ATOM 0 H SER A 5 14.947 16.553 10.773 1.00 0.00 H new ATOM 0 HA SER A 5 14.294 18.542 12.789 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.396 19.746 10.774 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.985 19.264 9.853 1.00 0.00 H new ATOM 0 HG SER A 5 13.737 21.364 10.805 1.00 0.00 H new ATOM 48 N SER A 6 11.817 18.188 12.262 1.00 0.00 N ATOM 49 CA SER A 6 10.446 17.699 12.173 1.00 0.00 C ATOM 50 C SER A 6 9.541 18.737 11.518 1.00 0.00 C ATOM 51 O SER A 6 9.275 19.794 12.088 1.00 0.00 O ATOM 52 CB SER A 6 9.916 17.349 13.565 1.00 0.00 C ATOM 53 OG SER A 6 9.380 18.492 14.209 1.00 0.00 O ATOM 0 H SER A 6 11.945 18.970 12.904 1.00 0.00 H new ATOM 0 HA SER A 6 10.446 16.801 11.555 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.147 16.580 13.482 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.721 16.931 14.170 1.00 0.00 H new ATOM 0 HG SER A 6 9.705 19.302 13.763 1.00 0.00 H new ATOM 59 N GLY A 7 9.068 18.426 10.314 1.00 0.00 N ATOM 60 CA GLY A 7 8.198 19.341 9.600 1.00 0.00 C ATOM 61 C GLY A 7 6.849 18.728 9.281 1.00 0.00 C ATOM 62 O GLY A 7 6.062 18.437 10.183 1.00 0.00 O ATOM 0 H GLY A 7 9.272 17.557 9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.053 20.241 10.198 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.682 19.649 8.673 1.00 0.00 H new ATOM 66 N SER A 8 6.578 18.531 7.994 1.00 0.00 N ATOM 67 CA SER A 8 5.312 17.954 7.559 1.00 0.00 C ATOM 68 C SER A 8 4.137 18.632 8.256 1.00 0.00 C ATOM 69 O SER A 8 3.180 17.975 8.663 1.00 0.00 O ATOM 70 CB SER A 8 5.289 16.450 7.842 1.00 0.00 C ATOM 71 OG SER A 8 4.266 15.808 7.101 1.00 0.00 O ATOM 0 H SER A 8 7.219 18.763 7.235 1.00 0.00 H new ATOM 0 HA SER A 8 5.217 18.116 6.485 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.255 16.014 7.588 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.133 16.279 8.907 1.00 0.00 H new ATOM 0 HG SER A 8 3.400 16.212 7.320 1.00 0.00 H new ATOM 77 N GLN A 9 4.218 19.952 8.389 1.00 0.00 N ATOM 78 CA GLN A 9 3.162 20.721 9.037 1.00 0.00 C ATOM 79 C GLN A 9 1.789 20.291 8.533 1.00 0.00 C ATOM 80 O GLN A 9 0.894 19.987 9.321 1.00 0.00 O ATOM 81 CB GLN A 9 3.365 22.216 8.790 1.00 0.00 C ATOM 82 CG GLN A 9 4.516 22.814 9.583 1.00 0.00 C ATOM 83 CD GLN A 9 4.498 24.330 9.586 1.00 0.00 C ATOM 84 OE1 GLN A 9 4.644 24.966 8.541 1.00 0.00 O ATOM 85 NE2 GLN A 9 4.318 24.918 10.763 1.00 0.00 N ATOM 0 H GLN A 9 5.004 20.511 8.057 1.00 0.00 H new ATOM 0 HA GLN A 9 3.212 20.528 10.109 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.544 22.379 7.727 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.447 22.745 9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.471 22.452 10.610 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.460 22.467 9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.201 24.352 11.603 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.296 25.936 10.827 1.00 0.00 H new ATOM 94 N GLY A 10 1.628 20.269 7.213 1.00 0.00 N ATOM 95 CA GLY A 10 0.361 19.876 6.626 1.00 0.00 C ATOM 96 C GLY A 10 0.269 20.229 5.155 1.00 0.00 C ATOM 97 O GLY A 10 -0.446 21.156 4.775 1.00 0.00 O ATOM 0 H GLY A 10 2.353 20.517 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.226 18.801 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.452 20.363 7.165 1.00 0.00 H new ATOM 101 N ASP A 11 0.996 19.489 4.325 1.00 0.00 N ATOM 102 CA ASP A 11 0.994 19.728 2.886 1.00 0.00 C ATOM 103 C ASP A 11 0.824 18.421 2.118 1.00 0.00 C ATOM 104 O ASP A 11 1.557 17.458 2.343 1.00 0.00 O ATOM 105 CB ASP A 11 2.290 20.420 2.461 1.00 0.00 C ATOM 106 CG ASP A 11 2.655 21.576 3.371 1.00 0.00 C ATOM 107 OD1 ASP A 11 3.013 21.321 4.539 1.00 0.00 O ATOM 108 OD2 ASP A 11 2.581 22.737 2.915 1.00 0.00 O ATOM 0 H ASP A 11 1.594 18.719 4.624 1.00 0.00 H new ATOM 0 HA ASP A 11 0.151 20.378 2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.102 19.693 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.185 20.785 1.439 1.00 0.00 H new ATOM 113 N CYS A 12 -0.146 18.396 1.211 1.00 0.00 N ATOM 114 CA CYS A 12 -0.414 17.207 0.410 1.00 0.00 C ATOM 115 C CYS A 12 -0.203 17.491 -1.073 1.00 0.00 C ATOM 116 O CYS A 12 -0.982 17.049 -1.917 1.00 0.00 O ATOM 117 CB CYS A 12 -1.842 16.716 0.650 1.00 0.00 C ATOM 118 SG CYS A 12 -2.112 15.999 2.288 1.00 0.00 S ATOM 0 H CYS A 12 -0.760 19.186 1.012 1.00 0.00 H new ATOM 0 HA CYS A 12 0.286 16.429 0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.529 17.551 0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.090 15.971 -0.106 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.350 15.616 2.395 1.00 0.00 H new ATOM 124 N SER A 13 0.855 18.233 -1.383 1.00 0.00 N ATOM 125 CA SER A 13 1.166 18.582 -2.765 1.00 0.00 C ATOM 126 C SER A 13 1.820 17.408 -3.487 1.00 0.00 C ATOM 127 O SER A 13 1.716 17.280 -4.708 1.00 0.00 O ATOM 128 CB SER A 13 2.089 19.802 -2.810 1.00 0.00 C ATOM 129 OG SER A 13 1.987 20.472 -4.055 1.00 0.00 O ATOM 0 H SER A 13 1.512 18.604 -0.696 1.00 0.00 H new ATOM 0 HA SER A 13 0.232 18.823 -3.272 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.831 20.487 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.120 19.489 -2.645 1.00 0.00 H new ATOM 0 HG SER A 13 2.585 21.248 -4.059 1.00 0.00 H new ATOM 135 N TYR A 14 2.493 16.554 -2.725 1.00 0.00 N ATOM 136 CA TYR A 14 3.166 15.391 -3.292 1.00 0.00 C ATOM 137 C TYR A 14 2.749 14.114 -2.569 1.00 0.00 C ATOM 138 O TYR A 14 2.728 13.033 -3.157 1.00 0.00 O ATOM 139 CB TYR A 14 4.684 15.564 -3.209 1.00 0.00 C ATOM 140 CG TYR A 14 5.172 15.987 -1.842 1.00 0.00 C ATOM 141 CD1 TYR A 14 4.876 17.247 -1.336 1.00 0.00 C ATOM 142 CD2 TYR A 14 5.929 15.127 -1.056 1.00 0.00 C ATOM 143 CE1 TYR A 14 5.320 17.638 -0.088 1.00 0.00 C ATOM 144 CE2 TYR A 14 6.376 15.509 0.194 1.00 0.00 C ATOM 145 CZ TYR A 14 6.069 16.765 0.674 1.00 0.00 C ATOM 146 OH TYR A 14 6.513 17.150 1.918 1.00 0.00 O ATOM 0 H TYR A 14 2.587 16.645 -1.713 1.00 0.00 H new ATOM 0 HA TYR A 14 2.872 15.307 -4.338 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.164 14.624 -3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.997 16.306 -3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.289 17.932 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.172 14.143 -1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.082 18.622 0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.963 14.828 0.792 1.00 0.00 H new ATOM 0 HH TYR A 14 7.025 16.419 2.323 1.00 0.00 H new ATOM 156 N SER A 15 2.416 14.248 -1.289 1.00 0.00 N ATOM 157 CA SER A 15 2.002 13.105 -0.483 1.00 0.00 C ATOM 158 C SER A 15 2.856 11.880 -0.798 1.00 0.00 C ATOM 159 O SER A 15 2.338 10.776 -0.965 1.00 0.00 O ATOM 160 CB SER A 15 0.526 12.788 -0.730 1.00 0.00 C ATOM 161 OG SER A 15 -0.294 13.899 -0.411 1.00 0.00 O ATOM 0 H SER A 15 2.425 15.136 -0.788 1.00 0.00 H new ATOM 0 HA SER A 15 2.141 13.363 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.380 12.512 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.230 11.929 -0.129 1.00 0.00 H new ATOM 0 HG SER A 15 -1.232 13.672 -0.579 1.00 0.00 H new ATOM 167 N ARG A 16 4.166 12.085 -0.877 1.00 0.00 N ATOM 168 CA ARG A 16 5.093 10.999 -1.173 1.00 0.00 C ATOM 169 C ARG A 16 5.327 10.133 0.062 1.00 0.00 C ATOM 170 O ARG A 16 5.190 8.910 0.011 1.00 0.00 O ATOM 171 CB ARG A 16 6.425 11.559 -1.676 1.00 0.00 C ATOM 172 CG ARG A 16 7.430 10.486 -2.061 1.00 0.00 C ATOM 173 CD ARG A 16 8.839 11.051 -2.156 1.00 0.00 C ATOM 174 NE ARG A 16 9.855 10.011 -2.027 1.00 0.00 N ATOM 175 CZ ARG A 16 11.117 10.254 -1.688 1.00 0.00 C ATOM 176 NH1 ARG A 16 11.514 11.495 -1.445 1.00 0.00 N ATOM 177 NH2 ARG A 16 11.983 9.254 -1.591 1.00 0.00 N ATOM 0 H ARG A 16 4.610 12.993 -0.740 1.00 0.00 H new ATOM 0 HA ARG A 16 4.650 10.379 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.238 12.197 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.860 12.191 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.408 9.683 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.147 10.048 -3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.961 11.561 -3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.984 11.798 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 16 9.582 9.045 -2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.850 12.266 -1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.483 11.679 -1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.681 8.298 -1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.951 9.441 -1.331 1.00 0.00 H new ATOM 191 N THR A 17 5.681 10.775 1.171 1.00 0.00 N ATOM 192 CA THR A 17 5.936 10.064 2.417 1.00 0.00 C ATOM 193 C THR A 17 4.639 9.548 3.030 1.00 0.00 C ATOM 194 O THR A 17 4.659 8.771 3.985 1.00 0.00 O ATOM 195 CB THR A 17 6.652 10.964 3.441 1.00 0.00 C ATOM 196 OG1 THR A 17 7.467 11.926 2.762 1.00 0.00 O ATOM 197 CG2 THR A 17 7.514 10.135 4.381 1.00 0.00 C ATOM 0 H THR A 17 5.798 11.787 1.231 1.00 0.00 H new ATOM 0 HA THR A 17 6.581 9.220 2.173 1.00 0.00 H new ATOM 0 HB THR A 17 5.894 11.481 4.030 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.918 12.496 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.010 10.793 5.095 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.886 9.424 4.918 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.264 9.594 3.805 1.00 0.00 H new ATOM 205 N ALA A 18 3.513 9.984 2.476 1.00 0.00 N ATOM 206 CA ALA A 18 2.207 9.563 2.967 1.00 0.00 C ATOM 207 C ALA A 18 2.048 8.049 2.877 1.00 0.00 C ATOM 208 O ALA A 18 1.739 7.387 3.869 1.00 0.00 O ATOM 209 CB ALA A 18 1.101 10.259 2.187 1.00 0.00 C ATOM 0 H ALA A 18 3.479 10.629 1.686 1.00 0.00 H new ATOM 0 HA ALA A 18 2.132 9.848 4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.131 9.935 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.195 11.338 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.184 10.002 1.131 1.00 0.00 H new ATOM 215 N LEU A 19 2.260 7.507 1.683 1.00 0.00 N ATOM 216 CA LEU A 19 2.140 6.069 1.464 1.00 0.00 C ATOM 217 C LEU A 19 2.907 5.290 2.527 1.00 0.00 C ATOM 218 O LEU A 19 2.656 4.105 2.745 1.00 0.00 O ATOM 219 CB LEU A 19 2.657 5.701 0.073 1.00 0.00 C ATOM 220 CG LEU A 19 2.272 6.653 -1.061 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.680 6.073 -2.406 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.778 6.940 -1.032 1.00 0.00 C ATOM 0 H LEU A 19 2.516 8.040 0.852 1.00 0.00 H new ATOM 0 HA LEU A 19 1.086 5.802 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.744 5.640 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.292 4.705 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 19 2.805 7.593 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.398 6.764 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.759 5.920 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.176 5.119 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.522 7.619 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.226 6.008 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.514 7.400 -0.079 1.00 0.00 H new ATOM 234 N TYR A 20 3.842 5.964 3.188 1.00 0.00 N ATOM 235 CA TYR A 20 4.646 5.335 4.229 1.00 0.00 C ATOM 236 C TYR A 20 3.970 5.462 5.591 1.00 0.00 C ATOM 237 O TYR A 20 3.803 4.475 6.307 1.00 0.00 O ATOM 238 CB TYR A 20 6.038 5.966 4.278 1.00 0.00 C ATOM 239 CG TYR A 20 6.795 5.864 2.973 1.00 0.00 C ATOM 240 CD1 TYR A 20 6.474 6.680 1.895 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.832 4.953 2.817 1.00 0.00 C ATOM 242 CE1 TYR A 20 7.162 6.590 0.701 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.527 4.857 1.627 1.00 0.00 C ATOM 244 CZ TYR A 20 8.188 5.677 0.572 1.00 0.00 C ATOM 245 OH TYR A 20 8.877 5.586 -0.616 1.00 0.00 O ATOM 0 H TYR A 20 4.062 6.946 3.021 1.00 0.00 H new ATOM 0 HA TYR A 20 4.742 4.276 3.988 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.942 7.017 4.552 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.619 5.484 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.672 7.397 1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.100 4.308 3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.898 7.231 -0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.331 4.144 1.524 1.00 0.00 H new ATOM 0 HH TYR A 20 9.706 5.083 -0.476 1.00 0.00 H new ATOM 255 N ASP A 21 3.583 6.683 5.940 1.00 0.00 N ATOM 256 CA ASP A 21 2.924 6.941 7.215 1.00 0.00 C ATOM 257 C ASP A 21 1.722 6.020 7.401 1.00 0.00 C ATOM 258 O ASP A 21 1.385 5.639 8.523 1.00 0.00 O ATOM 259 CB ASP A 21 2.480 8.403 7.298 1.00 0.00 C ATOM 260 CG ASP A 21 1.765 8.718 8.597 1.00 0.00 C ATOM 261 OD1 ASP A 21 0.699 8.117 8.849 1.00 0.00 O ATOM 262 OD2 ASP A 21 2.272 9.564 9.363 1.00 0.00 O ATOM 0 H ASP A 21 3.714 7.510 5.358 1.00 0.00 H new ATOM 0 HA ASP A 21 3.639 6.741 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.351 9.050 7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.820 8.627 6.460 1.00 0.00 H new ATOM 267 N LEU A 22 1.077 5.668 6.295 1.00 0.00 N ATOM 268 CA LEU A 22 -0.090 4.792 6.335 1.00 0.00 C ATOM 269 C LEU A 22 0.275 3.425 6.905 1.00 0.00 C ATOM 270 O LEU A 22 -0.479 2.846 7.688 1.00 0.00 O ATOM 271 CB LEU A 22 -0.680 4.632 4.933 1.00 0.00 C ATOM 272 CG LEU A 22 -1.654 5.722 4.486 1.00 0.00 C ATOM 273 CD1 LEU A 22 -0.906 6.868 3.824 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.699 5.149 3.540 1.00 0.00 C ATOM 0 H LEU A 22 1.342 5.975 5.359 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.835 5.249 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.141 4.591 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.193 3.672 4.884 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.164 6.109 5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.616 7.634 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.197 7.297 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.368 6.496 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.384 5.939 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.206 4.734 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.257 4.363 4.048 1.00 0.00 H new ATOM 286 N LEU A 23 1.437 2.916 6.509 1.00 0.00 N ATOM 287 CA LEU A 23 1.904 1.617 6.983 1.00 0.00 C ATOM 288 C LEU A 23 2.713 1.765 8.267 1.00 0.00 C ATOM 289 O LEU A 23 2.388 1.163 9.290 1.00 0.00 O ATOM 290 CB LEU A 23 2.752 0.935 5.908 1.00 0.00 C ATOM 291 CG LEU A 23 1.988 0.100 4.880 1.00 0.00 C ATOM 292 CD1 LEU A 23 1.003 0.968 4.112 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.954 -0.586 3.925 1.00 0.00 C ATOM 0 H LEU A 23 2.073 3.382 5.862 1.00 0.00 H new ATOM 0 HA LEU A 23 1.031 0.999 7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.315 1.702 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.479 0.290 6.402 1.00 0.00 H new ATOM 0 HG LEU A 23 1.426 -0.668 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.469 0.356 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.290 1.411 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.543 1.759 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.392 -1.176 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.544 0.166 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.619 -1.241 4.488 1.00 0.00 H new ATOM 305 N GLY A 24 3.768 2.571 8.206 1.00 0.00 N ATOM 306 CA GLY A 24 4.606 2.785 9.372 1.00 0.00 C ATOM 307 C GLY A 24 6.045 2.368 9.136 1.00 0.00 C ATOM 308 O GLY A 24 6.726 1.916 10.056 1.00 0.00 O ATOM 0 H GLY A 24 4.058 3.080 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.577 3.839 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.202 2.224 10.214 1.00 0.00 H new ATOM 312 N VAL A 25 6.508 2.520 7.899 1.00 0.00 N ATOM 313 CA VAL A 25 7.874 2.155 7.545 1.00 0.00 C ATOM 314 C VAL A 25 8.670 3.376 7.095 1.00 0.00 C ATOM 315 O VAL A 25 8.128 4.329 6.536 1.00 0.00 O ATOM 316 CB VAL A 25 7.900 1.098 6.424 1.00 0.00 C ATOM 317 CG1 VAL A 25 7.341 -0.225 6.925 1.00 0.00 C ATOM 318 CG2 VAL A 25 7.126 1.589 5.211 1.00 0.00 C ATOM 0 H VAL A 25 5.957 2.893 7.126 1.00 0.00 H new ATOM 0 HA VAL A 25 8.332 1.736 8.441 1.00 0.00 H new ATOM 0 HB VAL A 25 8.935 0.937 6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.367 -0.959 6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.943 -0.581 7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.311 -0.084 7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.155 0.830 4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.091 1.780 5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.577 2.509 4.840 1.00 0.00 H new ATOM 328 N PRO A 26 9.987 3.348 7.345 1.00 0.00 N ATOM 329 CA PRO A 26 10.886 4.444 6.973 1.00 0.00 C ATOM 330 C PRO A 26 11.075 4.553 5.464 1.00 0.00 C ATOM 331 O PRO A 26 10.889 3.580 4.734 1.00 0.00 O ATOM 332 CB PRO A 26 12.206 4.066 7.652 1.00 0.00 C ATOM 333 CG PRO A 26 12.149 2.584 7.791 1.00 0.00 C ATOM 334 CD PRO A 26 10.700 2.244 8.009 1.00 0.00 C ATOM 0 HA PRO A 26 10.495 5.414 7.280 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.062 4.375 7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.305 4.551 8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.535 2.093 6.898 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.759 2.247 8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.443 1.279 7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.456 2.188 9.070 1.00 0.00 H new ATOM 342 N SER A 27 11.447 5.743 5.003 1.00 0.00 N ATOM 343 CA SER A 27 11.657 5.980 3.580 1.00 0.00 C ATOM 344 C SER A 27 12.731 5.047 3.027 1.00 0.00 C ATOM 345 O SER A 27 12.871 4.890 1.814 1.00 0.00 O ATOM 346 CB SER A 27 12.057 7.436 3.337 1.00 0.00 C ATOM 347 OG SER A 27 12.057 7.741 1.953 1.00 0.00 O ATOM 0 H SER A 27 11.609 6.558 5.595 1.00 0.00 H new ATOM 0 HA SER A 27 10.720 5.777 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.366 8.098 3.858 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.048 7.618 3.753 1.00 0.00 H new ATOM 0 HG SER A 27 12.314 8.678 1.824 1.00 0.00 H new ATOM 353 N THR A 28 13.489 4.429 3.928 1.00 0.00 N ATOM 354 CA THR A 28 14.551 3.512 3.532 1.00 0.00 C ATOM 355 C THR A 28 14.261 2.095 4.012 1.00 0.00 C ATOM 356 O THR A 28 15.173 1.282 4.163 1.00 0.00 O ATOM 357 CB THR A 28 15.916 3.961 4.088 1.00 0.00 C ATOM 358 OG1 THR A 28 15.915 3.876 5.517 1.00 0.00 O ATOM 359 CG2 THR A 28 16.232 5.386 3.660 1.00 0.00 C ATOM 0 H THR A 28 13.387 4.547 4.936 1.00 0.00 H new ATOM 0 HA THR A 28 14.589 3.523 2.443 1.00 0.00 H new ATOM 0 HB THR A 28 16.683 3.299 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.787 4.161 5.862 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.200 5.681 4.064 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.261 5.441 2.572 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.461 6.058 4.037 1.00 0.00 H new ATOM 367 N ALA A 29 12.986 1.805 4.251 1.00 0.00 N ATOM 368 CA ALA A 29 12.577 0.484 4.711 1.00 0.00 C ATOM 369 C ALA A 29 12.990 -0.596 3.717 1.00 0.00 C ATOM 370 O ALA A 29 13.615 -0.310 2.696 1.00 0.00 O ATOM 371 CB ALA A 29 11.072 0.447 4.939 1.00 0.00 C ATOM 0 H ALA A 29 12.219 2.467 4.134 1.00 0.00 H new ATOM 0 HA ALA A 29 13.082 0.283 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.780 -0.546 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.800 1.186 5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.557 0.674 4.006 1.00 0.00 H new ATOM 377 N THR A 30 12.637 -1.841 4.023 1.00 0.00 N ATOM 378 CA THR A 30 12.973 -2.965 3.158 1.00 0.00 C ATOM 379 C THR A 30 11.729 -3.766 2.790 1.00 0.00 C ATOM 380 O THR A 30 10.779 -3.845 3.567 1.00 0.00 O ATOM 381 CB THR A 30 13.995 -3.903 3.827 1.00 0.00 C ATOM 382 OG1 THR A 30 14.033 -5.158 3.137 1.00 0.00 O ATOM 383 CG2 THR A 30 13.642 -4.134 5.289 1.00 0.00 C ATOM 0 H THR A 30 12.118 -2.096 4.864 1.00 0.00 H new ATOM 0 HA THR A 30 13.414 -2.547 2.253 1.00 0.00 H new ATOM 0 HB THR A 30 14.976 -3.430 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.686 -5.748 3.567 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.378 -4.799 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.642 -3.181 5.818 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.653 -4.587 5.357 1.00 0.00 H new ATOM 391 N GLN A 31 11.744 -4.360 1.601 1.00 0.00 N ATOM 392 CA GLN A 31 10.616 -5.155 1.131 1.00 0.00 C ATOM 393 C GLN A 31 9.965 -5.912 2.284 1.00 0.00 C ATOM 394 O GLN A 31 8.744 -6.059 2.332 1.00 0.00 O ATOM 395 CB GLN A 31 11.073 -6.140 0.053 1.00 0.00 C ATOM 396 CG GLN A 31 9.926 -6.780 -0.712 1.00 0.00 C ATOM 397 CD GLN A 31 9.217 -5.802 -1.628 1.00 0.00 C ATOM 398 OE1 GLN A 31 8.102 -5.362 -1.342 1.00 0.00 O ATOM 399 NE2 GLN A 31 9.860 -5.455 -2.736 1.00 0.00 N ATOM 0 H GLN A 31 12.524 -4.306 0.946 1.00 0.00 H new ATOM 0 HA GLN A 31 9.878 -4.476 0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.723 -5.620 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.670 -6.924 0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.308 -7.613 -1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.208 -7.194 -0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.782 -5.844 -2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.432 -4.800 -3.390 1.00 0.00 H new ATOM 408 N ALA A 32 10.789 -6.390 3.211 1.00 0.00 N ATOM 409 CA ALA A 32 10.293 -7.130 4.365 1.00 0.00 C ATOM 410 C ALA A 32 9.334 -6.280 5.191 1.00 0.00 C ATOM 411 O ALA A 32 8.248 -6.731 5.555 1.00 0.00 O ATOM 412 CB ALA A 32 11.454 -7.607 5.224 1.00 0.00 C ATOM 0 H ALA A 32 11.803 -6.278 3.185 1.00 0.00 H new ATOM 0 HA ALA A 32 9.744 -7.999 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.069 -8.158 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.099 -8.258 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.026 -6.747 5.572 1.00 0.00 H new ATOM 418 N GLN A 33 9.744 -5.051 5.485 1.00 0.00 N ATOM 419 CA GLN A 33 8.920 -4.139 6.270 1.00 0.00 C ATOM 420 C GLN A 33 7.696 -3.692 5.479 1.00 0.00 C ATOM 421 O GLN A 33 6.559 -3.939 5.882 1.00 0.00 O ATOM 422 CB GLN A 33 9.738 -2.920 6.699 1.00 0.00 C ATOM 423 CG GLN A 33 10.856 -3.250 7.675 1.00 0.00 C ATOM 424 CD GLN A 33 11.581 -2.014 8.172 1.00 0.00 C ATOM 425 OE1 GLN A 33 12.810 -1.946 8.141 1.00 0.00 O ATOM 426 NE2 GLN A 33 10.821 -1.028 8.634 1.00 0.00 N ATOM 0 H GLN A 33 10.641 -4.664 5.192 1.00 0.00 H new ATOM 0 HA GLN A 33 8.580 -4.671 7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.167 -2.451 5.814 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.072 -2.189 7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.442 -3.791 8.526 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.571 -3.916 7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.806 -1.127 8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.252 -0.172 8.982 1.00 0.00 H new ATOM 435 N ILE A 34 7.936 -3.032 4.350 1.00 0.00 N ATOM 436 CA ILE A 34 6.852 -2.551 3.502 1.00 0.00 C ATOM 437 C ILE A 34 5.731 -3.580 3.406 1.00 0.00 C ATOM 438 O ILE A 34 4.554 -3.227 3.332 1.00 0.00 O ATOM 439 CB ILE A 34 7.353 -2.221 2.083 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.335 -1.048 2.126 1.00 0.00 C ATOM 441 CG2 ILE A 34 6.179 -1.903 1.169 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.951 -0.728 0.782 1.00 0.00 C ATOM 0 H ILE A 34 8.871 -2.819 4.002 1.00 0.00 H new ATOM 0 HA ILE A 34 6.468 -1.642 3.965 1.00 0.00 H new ATOM 0 HB ILE A 34 7.874 -3.092 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.817 -0.164 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.130 -1.276 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.548 -1.672 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.513 -2.764 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.634 -1.045 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.636 0.113 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.497 -1.597 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.164 -0.469 0.074 1.00 0.00 H new ATOM 454 N LYS A 35 6.104 -4.856 3.411 1.00 0.00 N ATOM 455 CA LYS A 35 5.130 -5.938 3.328 1.00 0.00 C ATOM 456 C LYS A 35 4.516 -6.223 4.695 1.00 0.00 C ATOM 457 O LYS A 35 3.298 -6.163 4.862 1.00 0.00 O ATOM 458 CB LYS A 35 5.791 -7.205 2.780 1.00 0.00 C ATOM 459 CG LYS A 35 4.812 -8.335 2.514 1.00 0.00 C ATOM 460 CD LYS A 35 5.524 -9.673 2.393 1.00 0.00 C ATOM 461 CE LYS A 35 4.704 -10.669 1.587 1.00 0.00 C ATOM 462 NZ LYS A 35 5.170 -12.068 1.796 1.00 0.00 N ATOM 0 H LYS A 35 7.074 -5.166 3.472 1.00 0.00 H new ATOM 0 HA LYS A 35 4.335 -5.627 2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.312 -6.962 1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.544 -7.548 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.081 -8.382 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.260 -8.131 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.494 -9.529 1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.714 -10.077 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.655 -10.589 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.768 -10.419 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.586 -12.717 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.164 -12.150 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.085 -12.315 2.803 1.00 0.00 H new ATOM 476 N ALA A 36 5.366 -6.531 5.668 1.00 0.00 N ATOM 477 CA ALA A 36 4.906 -6.821 7.021 1.00 0.00 C ATOM 478 C ALA A 36 3.861 -5.807 7.475 1.00 0.00 C ATOM 479 O ALA A 36 2.895 -6.159 8.151 1.00 0.00 O ATOM 480 CB ALA A 36 6.082 -6.838 7.986 1.00 0.00 C ATOM 0 H ALA A 36 6.377 -6.586 5.545 1.00 0.00 H new ATOM 0 HA ALA A 36 4.440 -7.806 7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.724 -7.056 8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.793 -7.606 7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.573 -5.865 7.978 1.00 0.00 H new ATOM 486 N ALA A 37 4.062 -4.549 7.098 1.00 0.00 N ATOM 487 CA ALA A 37 3.136 -3.485 7.465 1.00 0.00 C ATOM 488 C ALA A 37 1.777 -3.686 6.803 1.00 0.00 C ATOM 489 O ALA A 37 0.766 -3.869 7.481 1.00 0.00 O ATOM 490 CB ALA A 37 3.714 -2.129 7.088 1.00 0.00 C ATOM 0 H ALA A 37 4.858 -4.242 6.539 1.00 0.00 H new ATOM 0 HA ALA A 37 2.992 -3.519 8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.012 -1.344 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.657 -1.977 7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.888 -2.094 6.013 1.00 0.00 H new ATOM 496 N TYR A 38 1.761 -3.650 5.475 1.00 0.00 N ATOM 497 CA TYR A 38 0.525 -3.825 4.721 1.00 0.00 C ATOM 498 C TYR A 38 -0.317 -4.952 5.310 1.00 0.00 C ATOM 499 O TYR A 38 -1.531 -4.820 5.464 1.00 0.00 O ATOM 500 CB TYR A 38 0.837 -4.120 3.253 1.00 0.00 C ATOM 501 CG TYR A 38 -0.379 -4.506 2.441 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.332 -3.558 2.088 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.576 -5.818 2.029 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.445 -3.906 1.348 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.685 -6.175 1.287 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.617 -5.215 0.949 1.00 0.00 C ATOM 507 OH TYR A 38 -3.724 -5.567 0.211 1.00 0.00 O ATOM 0 H TYR A 38 2.589 -3.501 4.899 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.045 -2.898 4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.299 -3.240 2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.569 -4.926 3.201 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.200 -2.532 2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.151 -6.572 2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.177 -3.157 1.083 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.822 -7.199 0.973 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.692 -6.526 0.011 1.00 0.00 H new ATOM 517 N TYR A 39 0.337 -6.061 5.638 1.00 0.00 N ATOM 518 CA TYR A 39 -0.351 -7.213 6.209 1.00 0.00 C ATOM 519 C TYR A 39 -1.013 -6.851 7.535 1.00 0.00 C ATOM 520 O TYR A 39 -2.174 -7.183 7.773 1.00 0.00 O ATOM 521 CB TYR A 39 0.630 -8.368 6.415 1.00 0.00 C ATOM 522 CG TYR A 39 0.816 -9.231 5.188 1.00 0.00 C ATOM 523 CD1 TYR A 39 1.147 -8.667 3.962 1.00 0.00 C ATOM 524 CD2 TYR A 39 0.663 -10.611 5.255 1.00 0.00 C ATOM 525 CE1 TYR A 39 1.317 -9.452 2.837 1.00 0.00 C ATOM 526 CE2 TYR A 39 0.832 -11.403 4.136 1.00 0.00 C ATOM 527 CZ TYR A 39 1.159 -10.819 2.930 1.00 0.00 C ATOM 528 OH TYR A 39 1.329 -11.604 1.812 1.00 0.00 O ATOM 0 H TYR A 39 1.342 -6.187 5.518 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.127 -7.524 5.510 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.597 -7.963 6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.277 -8.991 7.237 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.274 -7.597 3.887 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.408 -11.072 6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.572 -8.998 1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.709 -12.474 4.205 1.00 0.00 H new ATOM 0 HH TYR A 39 1.183 -12.544 2.047 1.00 0.00 H new ATOM 538 N ARG A 40 -0.265 -6.166 8.394 1.00 0.00 N ATOM 539 CA ARG A 40 -0.778 -5.758 9.697 1.00 0.00 C ATOM 540 C ARG A 40 -2.091 -4.994 9.549 1.00 0.00 C ATOM 541 O ARG A 40 -3.062 -5.270 10.253 1.00 0.00 O ATOM 542 CB ARG A 40 0.250 -4.889 10.424 1.00 0.00 C ATOM 543 CG ARG A 40 1.284 -5.690 11.200 1.00 0.00 C ATOM 544 CD ARG A 40 1.979 -4.835 12.247 1.00 0.00 C ATOM 545 NE ARG A 40 1.256 -4.827 13.516 1.00 0.00 N ATOM 546 CZ ARG A 40 1.588 -4.057 14.546 1.00 0.00 C ATOM 547 NH1 ARG A 40 2.626 -3.236 14.457 1.00 0.00 N ATOM 548 NH2 ARG A 40 0.881 -4.106 15.668 1.00 0.00 N ATOM 0 H ARG A 40 0.698 -5.882 8.212 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.964 -6.657 10.284 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.762 -4.260 9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.271 -4.222 11.111 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.800 -6.538 11.684 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.024 -6.096 10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.990 -5.210 12.408 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.073 -3.814 11.877 1.00 0.00 H new ATOM 0 HE ARG A 40 0.452 -5.447 13.617 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.171 -3.195 13.596 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.879 -2.646 15.250 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.082 -4.736 15.740 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.137 -3.514 16.458 1.00 0.00 H new ATOM 562 N GLN A 41 -2.111 -4.034 8.630 1.00 0.00 N ATOM 563 CA GLN A 41 -3.305 -3.230 8.392 1.00 0.00 C ATOM 564 C GLN A 41 -4.517 -4.119 8.133 1.00 0.00 C ATOM 565 O GLN A 41 -5.523 -4.033 8.837 1.00 0.00 O ATOM 566 CB GLN A 41 -3.084 -2.291 7.206 1.00 0.00 C ATOM 567 CG GLN A 41 -1.917 -1.334 7.396 1.00 0.00 C ATOM 568 CD GLN A 41 -2.003 -0.562 8.697 1.00 0.00 C ATOM 569 OE1 GLN A 41 -3.082 -0.137 9.111 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.862 -0.375 9.351 1.00 0.00 N ATOM 0 H GLN A 41 -1.315 -3.794 8.039 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.497 -2.636 9.286 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.913 -2.886 6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.993 -1.713 7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.983 -1.896 7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.888 -0.632 6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.010 -0.745 8.972 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.858 0.138 10.233 1.00 0.00 H new ATOM 579 N CYS A 42 -4.413 -4.971 7.119 1.00 0.00 N ATOM 580 CA CYS A 42 -5.502 -5.876 6.767 1.00 0.00 C ATOM 581 C CYS A 42 -6.229 -6.364 8.015 1.00 0.00 C ATOM 582 O CYS A 42 -7.459 -6.365 8.070 1.00 0.00 O ATOM 583 CB CYS A 42 -4.965 -7.069 5.974 1.00 0.00 C ATOM 584 SG CYS A 42 -4.819 -6.769 4.197 1.00 0.00 S ATOM 0 H CYS A 42 -3.587 -5.054 6.527 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.212 -5.327 6.148 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.986 -7.342 6.367 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.622 -7.924 6.134 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.355 -7.834 3.614 1.00 0.00 H new ATOM 590 N PHE A 43 -5.461 -6.782 9.016 1.00 0.00 N ATOM 591 CA PHE A 43 -6.032 -7.276 10.263 1.00 0.00 C ATOM 592 C PHE A 43 -6.617 -6.131 11.085 1.00 0.00 C ATOM 593 O PHE A 43 -7.736 -6.224 11.592 1.00 0.00 O ATOM 594 CB PHE A 43 -4.967 -8.011 11.080 1.00 0.00 C ATOM 595 CG PHE A 43 -5.350 -8.217 12.518 1.00 0.00 C ATOM 596 CD1 PHE A 43 -5.190 -7.198 13.444 1.00 0.00 C ATOM 597 CD2 PHE A 43 -5.870 -9.429 12.943 1.00 0.00 C ATOM 598 CE1 PHE A 43 -5.542 -7.384 14.767 1.00 0.00 C ATOM 599 CE2 PHE A 43 -6.224 -9.620 14.266 1.00 0.00 C ATOM 600 CZ PHE A 43 -6.059 -8.597 15.179 1.00 0.00 C ATOM 0 H PHE A 43 -4.441 -6.788 8.988 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.835 -7.970 10.015 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.774 -8.981 10.621 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.035 -7.447 11.038 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.786 -6.248 13.128 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.000 -10.233 12.234 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.413 -6.582 15.478 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.629 -10.569 14.585 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.334 -8.745 16.213 1.00 0.00 H new ATOM 610 N LEU A 44 -5.854 -5.051 11.211 1.00 0.00 N ATOM 611 CA LEU A 44 -6.296 -3.887 11.971 1.00 0.00 C ATOM 612 C LEU A 44 -7.738 -3.528 11.628 1.00 0.00 C ATOM 613 O LEU A 44 -8.580 -3.380 12.515 1.00 0.00 O ATOM 614 CB LEU A 44 -5.381 -2.693 11.691 1.00 0.00 C ATOM 615 CG LEU A 44 -4.099 -2.621 12.522 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.073 -1.728 11.842 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.401 -2.117 13.925 1.00 0.00 C ATOM 0 H LEU A 44 -4.927 -4.957 10.797 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.245 -4.136 13.031 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.106 -2.711 10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.950 -1.778 11.857 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.682 -3.625 12.600 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.167 -1.688 12.447 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.835 -2.132 10.858 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.481 -0.723 11.733 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.477 -2.072 14.502 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.841 -1.122 13.867 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.101 -2.796 14.413 1.00 0.00 H new ATOM 629 N TYR A 45 -8.017 -3.391 10.337 1.00 0.00 N ATOM 630 CA TYR A 45 -9.358 -3.049 9.876 1.00 0.00 C ATOM 631 C TYR A 45 -10.087 -4.285 9.359 1.00 0.00 C ATOM 632 O TYR A 45 -10.677 -4.265 8.278 1.00 0.00 O ATOM 633 CB TYR A 45 -9.287 -1.987 8.777 1.00 0.00 C ATOM 634 CG TYR A 45 -8.767 -0.652 9.258 1.00 0.00 C ATOM 635 CD1 TYR A 45 -7.498 -0.536 9.811 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.546 0.495 9.159 1.00 0.00 C ATOM 637 CE1 TYR A 45 -7.020 0.683 10.252 1.00 0.00 C ATOM 638 CE2 TYR A 45 -9.075 1.718 9.596 1.00 0.00 C ATOM 639 CZ TYR A 45 -7.812 1.807 10.143 1.00 0.00 C ATOM 640 OH TYR A 45 -7.338 3.022 10.580 1.00 0.00 O ATOM 0 H TYR A 45 -7.333 -3.511 9.590 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.915 -2.648 10.723 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.645 -2.350 7.974 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.281 -1.849 8.352 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.874 -1.414 9.898 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.536 0.429 8.733 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.031 0.755 10.680 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.693 2.600 9.510 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.018 3.711 10.431 1.00 0.00 H new ATOM 650 N HIS A 46 -10.043 -5.360 10.139 1.00 0.00 N ATOM 651 CA HIS A 46 -10.701 -6.606 9.762 1.00 0.00 C ATOM 652 C HIS A 46 -12.104 -6.339 9.227 1.00 0.00 C ATOM 653 O HIS A 46 -12.836 -5.488 9.732 1.00 0.00 O ATOM 654 CB HIS A 46 -10.770 -7.554 10.959 1.00 0.00 C ATOM 655 CG HIS A 46 -10.737 -9.002 10.580 1.00 0.00 C ATOM 656 ND1 HIS A 46 -11.805 -9.854 10.767 1.00 0.00 N ATOM 657 CD2 HIS A 46 -9.756 -9.748 10.020 1.00 0.00 C ATOM 658 CE1 HIS A 46 -11.482 -11.062 10.340 1.00 0.00 C ATOM 659 NE2 HIS A 46 -10.244 -11.024 9.881 1.00 0.00 N ATOM 0 H HIS A 46 -9.559 -5.394 11.036 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.113 -7.074 8.972 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.935 -7.343 11.627 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -11.684 -7.354 11.518 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.773 -9.404 9.736 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -12.121 -11.932 10.362 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.733 -11.814 9.487 1.00 0.00 H new ATOM 667 N PRO A 47 -12.490 -7.083 8.179 1.00 0.00 N ATOM 668 CA PRO A 47 -13.809 -6.945 7.553 1.00 0.00 C ATOM 669 C PRO A 47 -14.933 -7.450 8.451 1.00 0.00 C ATOM 670 O PRO A 47 -16.107 -7.172 8.207 1.00 0.00 O ATOM 671 CB PRO A 47 -13.697 -7.812 6.297 1.00 0.00 C ATOM 672 CG PRO A 47 -12.647 -8.816 6.622 1.00 0.00 C ATOM 673 CD PRO A 47 -11.670 -8.117 7.526 1.00 0.00 C ATOM 0 HA PRO A 47 -14.056 -5.903 7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.646 -8.294 6.063 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.419 -7.216 5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.079 -9.687 7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -12.155 -9.173 5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.234 -8.802 8.253 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.844 -7.680 6.964 1.00 0.00 H new ATOM 681 N ASP A 48 -14.566 -8.191 9.490 1.00 0.00 N ATOM 682 CA ASP A 48 -15.544 -8.734 10.426 1.00 0.00 C ATOM 683 C ASP A 48 -15.870 -7.721 11.519 1.00 0.00 C ATOM 684 O ASP A 48 -17.037 -7.421 11.772 1.00 0.00 O ATOM 685 CB ASP A 48 -15.020 -10.027 11.052 1.00 0.00 C ATOM 686 CG ASP A 48 -16.125 -10.859 11.673 1.00 0.00 C ATOM 687 OD1 ASP A 48 -17.031 -10.269 12.297 1.00 0.00 O ATOM 688 OD2 ASP A 48 -16.082 -12.100 11.537 1.00 0.00 O ATOM 0 H ASP A 48 -13.598 -8.430 9.706 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.458 -8.952 9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.511 -10.616 10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.280 -9.784 11.814 1.00 0.00 H new ATOM 693 N ARG A 49 -14.832 -7.198 12.163 1.00 0.00 N ATOM 694 CA ARG A 49 -15.009 -6.221 13.230 1.00 0.00 C ATOM 695 C ARG A 49 -15.880 -5.058 12.764 1.00 0.00 C ATOM 696 O ARG A 49 -16.898 -4.746 13.380 1.00 0.00 O ATOM 697 CB ARG A 49 -13.651 -5.698 13.702 1.00 0.00 C ATOM 698 CG ARG A 49 -12.726 -6.786 14.223 1.00 0.00 C ATOM 699 CD ARG A 49 -13.112 -7.219 15.628 1.00 0.00 C ATOM 700 NE ARG A 49 -12.776 -6.205 16.625 1.00 0.00 N ATOM 701 CZ ARG A 49 -13.070 -6.318 17.915 1.00 0.00 C ATOM 702 NH1 ARG A 49 -13.702 -7.394 18.364 1.00 0.00 N ATOM 703 NH2 ARG A 49 -12.731 -5.353 18.761 1.00 0.00 N ATOM 0 H ARG A 49 -13.860 -7.435 11.964 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.509 -6.716 14.062 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.162 -5.183 12.875 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.809 -4.960 14.488 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.760 -7.646 13.554 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.698 -6.423 14.222 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.182 -7.422 15.664 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.603 -8.151 15.873 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.289 -5.365 16.313 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.964 -8.138 17.718 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.926 -7.477 19.356 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.244 -4.524 18.420 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.957 -5.441 19.752 1.00 0.00 H new ATOM 717 N ASN A 50 -15.471 -4.420 11.672 1.00 0.00 N ATOM 718 CA ASN A 50 -16.214 -3.291 11.124 1.00 0.00 C ATOM 719 C ASN A 50 -17.492 -3.762 10.437 1.00 0.00 C ATOM 720 O ASN A 50 -17.469 -4.185 9.281 1.00 0.00 O ATOM 721 CB ASN A 50 -15.345 -2.516 10.131 1.00 0.00 C ATOM 722 CG ASN A 50 -14.111 -1.923 10.784 1.00 0.00 C ATOM 723 OD1 ASN A 50 -14.071 -0.734 11.098 1.00 0.00 O ATOM 724 ND2 ASN A 50 -13.095 -2.753 10.990 1.00 0.00 N ATOM 0 H ASN A 50 -14.630 -4.665 11.150 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.487 -2.633 11.949 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.041 -3.181 9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.935 -1.717 9.682 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.238 -2.412 11.425 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.172 -3.732 10.714 1.00 0.00 H new ATOM 731 N SER A 51 -18.607 -3.687 11.157 1.00 0.00 N ATOM 732 CA SER A 51 -19.895 -4.108 10.619 1.00 0.00 C ATOM 733 C SER A 51 -20.410 -3.104 9.593 1.00 0.00 C ATOM 734 O SER A 51 -20.923 -2.043 9.948 1.00 0.00 O ATOM 735 CB SER A 51 -20.915 -4.270 11.747 1.00 0.00 C ATOM 736 OG SER A 51 -22.139 -4.788 11.258 1.00 0.00 O ATOM 0 H SER A 51 -18.644 -3.338 12.115 1.00 0.00 H new ATOM 0 HA SER A 51 -19.757 -5.069 10.123 1.00 0.00 H new ATOM 0 HB2 SER A 51 -20.514 -4.936 12.511 1.00 0.00 H new ATOM 0 HB3 SER A 51 -21.090 -3.306 12.225 1.00 0.00 H new ATOM 0 HG SER A 51 -22.773 -4.883 11.999 1.00 0.00 H new ATOM 742 N GLY A 52 -20.269 -3.446 8.316 1.00 0.00 N ATOM 743 CA GLY A 52 -20.725 -2.565 7.256 1.00 0.00 C ATOM 744 C GLY A 52 -20.407 -1.109 7.537 1.00 0.00 C ATOM 745 O GLY A 52 -21.280 -0.247 7.443 1.00 0.00 O ATOM 0 H GLY A 52 -19.847 -4.318 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -20.259 -2.861 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -21.801 -2.681 7.129 1.00 0.00 H new ATOM 749 N SER A 53 -19.153 -0.835 7.884 1.00 0.00 N ATOM 750 CA SER A 53 -18.724 0.525 8.185 1.00 0.00 C ATOM 751 C SER A 53 -18.776 1.400 6.936 1.00 0.00 C ATOM 752 O SER A 53 -18.919 0.901 5.821 1.00 0.00 O ATOM 753 CB SER A 53 -17.306 0.520 8.758 1.00 0.00 C ATOM 754 OG SER A 53 -16.417 -0.192 7.915 1.00 0.00 O ATOM 0 H SER A 53 -18.417 -1.537 7.963 1.00 0.00 H new ATOM 0 HA SER A 53 -19.407 0.939 8.927 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.955 1.545 8.878 1.00 0.00 H new ATOM 0 HB3 SER A 53 -17.313 0.067 9.749 1.00 0.00 H new ATOM 0 HG SER A 53 -16.863 -0.396 7.067 1.00 0.00 H new ATOM 760 N ALA A 54 -18.660 2.710 7.133 1.00 0.00 N ATOM 761 CA ALA A 54 -18.692 3.655 6.024 1.00 0.00 C ATOM 762 C ALA A 54 -17.368 4.401 5.900 1.00 0.00 C ATOM 763 O ALA A 54 -16.836 4.560 4.803 1.00 0.00 O ATOM 764 CB ALA A 54 -19.840 4.638 6.201 1.00 0.00 C ATOM 0 H ALA A 54 -18.543 3.140 8.050 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.849 3.092 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -19.852 5.338 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -20.784 4.094 6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -19.708 5.188 7.133 1.00 0.00 H new ATOM 770 N GLU A 55 -16.843 4.857 7.033 1.00 0.00 N ATOM 771 CA GLU A 55 -15.582 5.588 7.050 1.00 0.00 C ATOM 772 C GLU A 55 -14.405 4.650 6.799 1.00 0.00 C ATOM 773 O GLU A 55 -13.504 4.962 6.022 1.00 0.00 O ATOM 774 CB GLU A 55 -15.400 6.305 8.389 1.00 0.00 C ATOM 775 CG GLU A 55 -16.485 7.326 8.686 1.00 0.00 C ATOM 776 CD GLU A 55 -16.644 7.593 10.170 1.00 0.00 C ATOM 777 OE1 GLU A 55 -15.799 8.316 10.738 1.00 0.00 O ATOM 778 OE2 GLU A 55 -17.616 7.080 10.764 1.00 0.00 O ATOM 0 H GLU A 55 -17.271 4.733 7.950 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.611 6.328 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.382 5.564 9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.431 6.805 8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.249 8.260 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.433 6.972 8.281 1.00 0.00 H new ATOM 785 N ALA A 56 -14.423 3.498 7.462 1.00 0.00 N ATOM 786 CA ALA A 56 -13.359 2.513 7.310 1.00 0.00 C ATOM 787 C ALA A 56 -13.029 2.284 5.839 1.00 0.00 C ATOM 788 O ALA A 56 -11.860 2.242 5.455 1.00 0.00 O ATOM 789 CB ALA A 56 -13.755 1.203 7.974 1.00 0.00 C ATOM 0 H ALA A 56 -15.162 3.224 8.109 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.466 2.901 7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.952 0.476 7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.934 1.373 9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.664 0.820 7.510 1.00 0.00 H new ATOM 795 N ALA A 57 -14.065 2.137 5.021 1.00 0.00 N ATOM 796 CA ALA A 57 -13.884 1.914 3.592 1.00 0.00 C ATOM 797 C ALA A 57 -12.785 2.810 3.031 1.00 0.00 C ATOM 798 O ALA A 57 -11.780 2.324 2.513 1.00 0.00 O ATOM 799 CB ALA A 57 -15.192 2.152 2.851 1.00 0.00 C ATOM 0 H ALA A 57 -15.039 2.168 5.323 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.580 0.877 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.042 1.982 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.952 1.466 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.520 3.179 3.012 1.00 0.00 H new ATOM 805 N GLU A 58 -12.985 4.120 3.137 1.00 0.00 N ATOM 806 CA GLU A 58 -12.010 5.083 2.638 1.00 0.00 C ATOM 807 C GLU A 58 -10.587 4.618 2.930 1.00 0.00 C ATOM 808 O GLU A 58 -9.811 4.345 2.014 1.00 0.00 O ATOM 809 CB GLU A 58 -12.249 6.457 3.269 1.00 0.00 C ATOM 810 CG GLU A 58 -13.279 7.295 2.531 1.00 0.00 C ATOM 811 CD GLU A 58 -14.494 6.490 2.112 1.00 0.00 C ATOM 812 OE1 GLU A 58 -14.351 5.609 1.239 1.00 0.00 O ATOM 813 OE2 GLU A 58 -15.589 6.743 2.659 1.00 0.00 O ATOM 0 H GLU A 58 -13.812 4.538 3.563 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.134 5.160 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.574 6.322 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.305 7.002 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.596 8.119 3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.818 7.736 1.647 1.00 0.00 H new ATOM 820 N ARG A 59 -10.250 4.530 4.213 1.00 0.00 N ATOM 821 CA ARG A 59 -8.920 4.100 4.627 1.00 0.00 C ATOM 822 C ARG A 59 -8.503 2.834 3.884 1.00 0.00 C ATOM 823 O ARG A 59 -7.479 2.811 3.202 1.00 0.00 O ATOM 824 CB ARG A 59 -8.887 3.853 6.136 1.00 0.00 C ATOM 825 CG ARG A 59 -7.520 4.076 6.760 1.00 0.00 C ATOM 826 CD ARG A 59 -7.192 5.557 6.869 1.00 0.00 C ATOM 827 NE ARG A 59 -7.724 6.146 8.095 1.00 0.00 N ATOM 828 CZ ARG A 59 -7.547 7.418 8.436 1.00 0.00 C ATOM 829 NH1 ARG A 59 -6.857 8.230 7.646 1.00 0.00 N ATOM 830 NH2 ARG A 59 -8.062 7.881 9.568 1.00 0.00 N ATOM 0 H ARG A 59 -10.880 4.751 4.984 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.215 4.894 4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.609 4.511 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.205 2.830 6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.493 3.622 7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.759 3.577 6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.111 5.692 6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.601 6.083 6.007 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.261 5.548 8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.461 7.878 6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.723 9.206 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.594 7.260 10.178 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.925 8.858 9.829 1.00 0.00 H new ATOM 844 N PHE A 60 -9.304 1.782 4.023 1.00 0.00 N ATOM 845 CA PHE A 60 -9.017 0.512 3.366 1.00 0.00 C ATOM 846 C PHE A 60 -8.510 0.736 1.945 1.00 0.00 C ATOM 847 O PHE A 60 -7.591 0.057 1.485 1.00 0.00 O ATOM 848 CB PHE A 60 -10.269 -0.367 3.340 1.00 0.00 C ATOM 849 CG PHE A 60 -9.969 -1.836 3.257 1.00 0.00 C ATOM 850 CD1 PHE A 60 -9.269 -2.472 4.270 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.386 -2.582 2.166 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.991 -3.824 4.197 1.00 0.00 C ATOM 853 CE2 PHE A 60 -10.111 -3.934 2.088 1.00 0.00 C ATOM 854 CZ PHE A 60 -9.412 -4.556 3.104 1.00 0.00 C ATOM 0 H PHE A 60 -10.156 1.784 4.584 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.237 0.006 3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.857 -0.175 4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.886 -0.082 2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.937 -1.904 5.127 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.932 -2.101 1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.445 -4.307 4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.443 -4.504 1.233 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.195 -5.612 3.044 1.00 0.00 H new ATOM 864 N THR A 61 -9.116 1.695 1.251 1.00 0.00 N ATOM 865 CA THR A 61 -8.729 2.009 -0.119 1.00 0.00 C ATOM 866 C THR A 61 -7.324 2.598 -0.171 1.00 0.00 C ATOM 867 O THR A 61 -6.491 2.170 -0.970 1.00 0.00 O ATOM 868 CB THR A 61 -9.714 2.999 -0.768 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.039 2.456 -0.749 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.306 3.307 -2.201 1.00 0.00 C ATOM 0 H THR A 61 -9.877 2.268 1.616 1.00 0.00 H new ATOM 0 HA THR A 61 -8.748 1.072 -0.676 1.00 0.00 H new ATOM 0 HB THR A 61 -9.694 3.926 -0.195 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.347 2.377 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.016 4.008 -2.639 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.309 3.748 -2.209 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.300 2.386 -2.784 1.00 0.00 H new ATOM 878 N ARG A 62 -7.068 3.583 0.684 1.00 0.00 N ATOM 879 CA ARG A 62 -5.763 4.231 0.734 1.00 0.00 C ATOM 880 C ARG A 62 -4.677 3.237 1.134 1.00 0.00 C ATOM 881 O ARG A 62 -3.674 3.085 0.436 1.00 0.00 O ATOM 882 CB ARG A 62 -5.788 5.399 1.721 1.00 0.00 C ATOM 883 CG ARG A 62 -6.531 6.620 1.202 1.00 0.00 C ATOM 884 CD ARG A 62 -6.651 7.695 2.271 1.00 0.00 C ATOM 885 NE ARG A 62 -7.780 8.588 2.023 1.00 0.00 N ATOM 886 CZ ARG A 62 -8.206 9.493 2.898 1.00 0.00 C ATOM 887 NH1 ARG A 62 -7.601 9.624 4.070 1.00 0.00 N ATOM 888 NH2 ARG A 62 -9.240 10.270 2.599 1.00 0.00 N ATOM 0 H ARG A 62 -7.747 3.950 1.351 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.535 4.610 -0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.253 5.069 2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.763 5.683 1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.008 7.024 0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.526 6.327 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.768 7.224 3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.730 8.276 2.306 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.268 8.513 1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.806 9.029 4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.931 10.320 4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.707 10.172 1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.567 10.965 3.271 1.00 0.00 H new ATOM 902 N ILE A 63 -4.884 2.563 2.260 1.00 0.00 N ATOM 903 CA ILE A 63 -3.923 1.583 2.751 1.00 0.00 C ATOM 904 C ILE A 63 -3.378 0.728 1.612 1.00 0.00 C ATOM 905 O ILE A 63 -2.170 0.520 1.501 1.00 0.00 O ATOM 906 CB ILE A 63 -4.551 0.663 3.814 1.00 0.00 C ATOM 907 CG1 ILE A 63 -4.991 1.479 5.031 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.565 -0.421 4.225 1.00 0.00 C ATOM 909 CD1 ILE A 63 -6.050 0.794 5.867 1.00 0.00 C ATOM 0 H ILE A 63 -5.708 2.677 2.850 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.105 2.143 3.204 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.431 0.184 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.121 1.682 5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.373 2.443 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.023 -1.063 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.296 -1.017 3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.669 0.041 4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.314 1.430 6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.936 0.615 5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.665 -0.157 6.235 1.00 0.00 H new ATOM 921 N SER A 64 -4.278 0.237 0.766 1.00 0.00 N ATOM 922 CA SER A 64 -3.888 -0.597 -0.365 1.00 0.00 C ATOM 923 C SER A 64 -2.967 0.166 -1.311 1.00 0.00 C ATOM 924 O SER A 64 -1.941 -0.354 -1.748 1.00 0.00 O ATOM 925 CB SER A 64 -5.128 -1.080 -1.121 1.00 0.00 C ATOM 926 OG SER A 64 -4.844 -2.248 -1.872 1.00 0.00 O ATOM 0 H SER A 64 -5.282 0.402 0.842 1.00 0.00 H new ATOM 0 HA SER A 64 -3.347 -1.461 0.022 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.932 -1.285 -0.414 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.482 -0.293 -1.787 1.00 0.00 H new ATOM 0 HG SER A 64 -5.652 -2.538 -2.344 1.00 0.00 H new ATOM 932 N GLN A 65 -3.342 1.402 -1.623 1.00 0.00 N ATOM 933 CA GLN A 65 -2.550 2.237 -2.518 1.00 0.00 C ATOM 934 C GLN A 65 -1.086 2.257 -2.091 1.00 0.00 C ATOM 935 O GLN A 65 -0.185 2.200 -2.927 1.00 0.00 O ATOM 936 CB GLN A 65 -3.105 3.663 -2.545 1.00 0.00 C ATOM 937 CG GLN A 65 -4.567 3.739 -2.956 1.00 0.00 C ATOM 938 CD GLN A 65 -4.913 5.046 -3.641 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.513 5.287 -4.781 1.00 0.00 O ATOM 940 NE2 GLN A 65 -5.660 5.898 -2.949 1.00 0.00 N ATOM 0 H GLN A 65 -4.189 1.847 -1.269 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.612 1.812 -3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.991 4.107 -1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.511 4.262 -3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.796 2.910 -3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.195 3.618 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.969 5.657 -2.007 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.925 6.794 -3.359 1.00 0.00 H new ATOM 949 N ALA A 66 -0.857 2.339 -0.785 1.00 0.00 N ATOM 950 CA ALA A 66 0.498 2.365 -0.247 1.00 0.00 C ATOM 951 C ALA A 66 1.266 1.106 -0.633 1.00 0.00 C ATOM 952 O ALA A 66 2.479 1.147 -0.844 1.00 0.00 O ATOM 953 CB ALA A 66 0.462 2.520 1.267 1.00 0.00 C ATOM 0 H ALA A 66 -1.592 2.389 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 66 1.017 3.222 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.480 2.538 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.041 3.452 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.079 1.682 1.706 1.00 0.00 H new ATOM 959 N TYR A 67 0.554 -0.011 -0.725 1.00 0.00 N ATOM 960 CA TYR A 67 1.170 -1.283 -1.084 1.00 0.00 C ATOM 961 C TYR A 67 1.295 -1.420 -2.598 1.00 0.00 C ATOM 962 O TYR A 67 1.438 -2.524 -3.124 1.00 0.00 O ATOM 963 CB TYR A 67 0.352 -2.447 -0.521 1.00 0.00 C ATOM 964 CG TYR A 67 1.121 -3.746 -0.444 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.393 -3.791 0.113 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.576 -4.929 -0.929 1.00 0.00 C ATOM 967 CE1 TYR A 67 3.100 -4.976 0.185 1.00 0.00 C ATOM 968 CE2 TYR A 67 1.275 -6.118 -0.860 1.00 0.00 C ATOM 969 CZ TYR A 67 2.536 -6.137 -0.302 1.00 0.00 C ATOM 970 OH TYR A 67 3.236 -7.319 -0.233 1.00 0.00 O ATOM 0 H TYR A 67 -0.451 -0.062 -0.556 1.00 0.00 H new ATOM 0 HA TYR A 67 2.170 -1.308 -0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.000 -2.184 0.476 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.531 -2.594 -1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.837 -2.884 0.496 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.411 -4.918 -1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.088 -4.993 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.836 -7.028 -1.241 1.00 0.00 H new ATOM 0 HH TYR A 67 2.697 -8.041 -0.618 1.00 0.00 H new ATOM 980 N VAL A 68 1.240 -0.289 -3.295 1.00 0.00 N ATOM 981 CA VAL A 68 1.349 -0.281 -4.748 1.00 0.00 C ATOM 982 C VAL A 68 2.604 0.457 -5.201 1.00 0.00 C ATOM 983 O VAL A 68 3.544 -0.152 -5.713 1.00 0.00 O ATOM 984 CB VAL A 68 0.118 0.377 -5.399 1.00 0.00 C ATOM 985 CG1 VAL A 68 0.265 0.406 -6.913 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.153 -0.353 -4.993 1.00 0.00 C ATOM 0 H VAL A 68 1.121 0.633 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 68 1.408 -1.322 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 68 0.048 1.406 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.614 0.874 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.154 0.977 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.361 -0.613 -7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.013 0.125 -5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.095 -1.392 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.264 -0.316 -3.909 1.00 0.00 H new ATOM 996 N VAL A 69 2.613 1.772 -5.009 1.00 0.00 N ATOM 997 CA VAL A 69 3.754 2.593 -5.396 1.00 0.00 C ATOM 998 C VAL A 69 5.031 2.119 -4.711 1.00 0.00 C ATOM 999 O VAL A 69 6.128 2.262 -5.251 1.00 0.00 O ATOM 1000 CB VAL A 69 3.520 4.076 -5.052 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.651 4.935 -5.597 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.177 4.543 -5.593 1.00 0.00 C ATOM 0 H VAL A 69 1.843 2.292 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 69 3.866 2.491 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 69 3.505 4.182 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.469 5.980 -5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.596 4.615 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.700 4.827 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.028 5.593 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.160 4.424 -6.676 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.379 3.947 -5.150 1.00 0.00 H new ATOM 1012 N LEU A 70 4.880 1.554 -3.518 1.00 0.00 N ATOM 1013 CA LEU A 70 6.021 1.057 -2.757 1.00 0.00 C ATOM 1014 C LEU A 70 6.144 -0.458 -2.886 1.00 0.00 C ATOM 1015 O LEU A 70 7.225 -1.020 -2.719 1.00 0.00 O ATOM 1016 CB LEU A 70 5.885 1.445 -1.284 1.00 0.00 C ATOM 1017 CG LEU A 70 5.430 2.878 -1.007 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.872 2.998 0.403 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.582 3.852 -1.211 1.00 0.00 C ATOM 0 H LEU A 70 3.979 1.429 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 70 6.924 1.512 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.177 0.763 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.848 1.290 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 70 4.638 3.130 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.553 4.025 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.019 2.329 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.643 2.727 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.240 4.867 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.395 3.601 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.936 3.786 -2.240 1.00 0.00 H new ATOM 1031 N GLY A 71 5.027 -1.114 -3.188 1.00 0.00 N ATOM 1032 CA GLY A 71 5.031 -2.557 -3.337 1.00 0.00 C ATOM 1033 C GLY A 71 6.192 -3.050 -4.179 1.00 0.00 C ATOM 1034 O GLY A 71 6.597 -4.207 -4.073 1.00 0.00 O ATOM 0 H GLY A 71 4.120 -0.671 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.078 -3.021 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.094 -2.875 -3.794 1.00 0.00 H new ATOM 1038 N SER A 72 6.727 -2.169 -5.018 1.00 0.00 N ATOM 1039 CA SER A 72 7.845 -2.523 -5.886 1.00 0.00 C ATOM 1040 C SER A 72 8.875 -1.398 -5.929 1.00 0.00 C ATOM 1041 O SER A 72 8.548 -0.253 -6.238 1.00 0.00 O ATOM 1042 CB SER A 72 7.344 -2.826 -7.299 1.00 0.00 C ATOM 1043 OG SER A 72 6.574 -4.015 -7.323 1.00 0.00 O ATOM 0 H SER A 72 6.405 -1.206 -5.115 1.00 0.00 H new ATOM 0 HA SER A 72 8.322 -3.414 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.743 -1.992 -7.662 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.193 -2.925 -7.976 1.00 0.00 H new ATOM 0 HG SER A 72 6.264 -4.186 -8.237 1.00 0.00 H new ATOM 1049 N ALA A 73 10.123 -1.735 -5.618 1.00 0.00 N ATOM 1050 CA ALA A 73 11.202 -0.756 -5.623 1.00 0.00 C ATOM 1051 C ALA A 73 11.124 0.141 -6.854 1.00 0.00 C ATOM 1052 O ALA A 73 11.006 1.361 -6.740 1.00 0.00 O ATOM 1053 CB ALA A 73 12.551 -1.457 -5.563 1.00 0.00 C ATOM 0 H ALA A 73 10.411 -2.679 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 73 11.092 -0.127 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.348 -0.713 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.613 -2.050 -4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.660 -2.111 -6.428 1.00 0.00 H new ATOM 1059 N THR A 74 11.192 -0.472 -8.032 1.00 0.00 N ATOM 1060 CA THR A 74 11.131 0.271 -9.284 1.00 0.00 C ATOM 1061 C THR A 74 10.209 1.479 -9.163 1.00 0.00 C ATOM 1062 O THR A 74 10.660 2.625 -9.207 1.00 0.00 O ATOM 1063 CB THR A 74 10.642 -0.619 -10.442 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.535 -1.723 -10.622 1.00 0.00 O ATOM 1065 CG2 THR A 74 10.547 0.178 -11.734 1.00 0.00 C ATOM 0 H THR A 74 11.289 -1.481 -8.145 1.00 0.00 H new ATOM 0 HA THR A 74 12.144 0.611 -9.499 1.00 0.00 H new ATOM 0 HB THR A 74 9.649 -0.992 -10.190 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.216 -2.285 -11.359 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.200 -0.472 -12.537 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.844 1.001 -11.603 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.529 0.577 -11.989 1.00 0.00 H new ATOM 1073 N LEU A 75 8.916 1.217 -9.008 1.00 0.00 N ATOM 1074 CA LEU A 75 7.929 2.284 -8.879 1.00 0.00 C ATOM 1075 C LEU A 75 8.482 3.439 -8.050 1.00 0.00 C ATOM 1076 O LEU A 75 8.641 4.553 -8.548 1.00 0.00 O ATOM 1077 CB LEU A 75 6.649 1.747 -8.237 1.00 0.00 C ATOM 1078 CG LEU A 75 6.039 0.507 -8.892 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.866 -0.007 -8.072 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.602 0.817 -10.316 1.00 0.00 C ATOM 0 H LEU A 75 8.526 0.275 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 75 7.698 2.655 -9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.859 1.515 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.902 2.541 -8.243 1.00 0.00 H new ATOM 0 HG LEU A 75 6.800 -0.273 -8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.445 -0.890 -8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.209 -0.268 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.103 0.768 -8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.170 -0.077 -10.767 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.857 1.613 -10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.465 1.137 -10.900 1.00 0.00 H new ATOM 1092 N ARG A 76 8.774 3.164 -6.783 1.00 0.00 N ATOM 1093 CA ARG A 76 9.310 4.180 -5.885 1.00 0.00 C ATOM 1094 C ARG A 76 10.345 5.045 -6.598 1.00 0.00 C ATOM 1095 O ARG A 76 10.347 6.268 -6.461 1.00 0.00 O ATOM 1096 CB ARG A 76 9.938 3.523 -4.654 1.00 0.00 C ATOM 1097 CG ARG A 76 8.963 3.324 -3.506 1.00 0.00 C ATOM 1098 CD ARG A 76 9.455 2.262 -2.535 1.00 0.00 C ATOM 1099 NE ARG A 76 10.346 2.818 -1.521 1.00 0.00 N ATOM 1100 CZ ARG A 76 11.648 3.000 -1.706 1.00 0.00 C ATOM 1101 NH1 ARG A 76 12.209 2.672 -2.862 1.00 0.00 N ATOM 1102 NH2 ARG A 76 12.393 3.512 -0.735 1.00 0.00 N ATOM 0 H ARG A 76 8.649 2.247 -6.355 1.00 0.00 H new ATOM 0 HA ARG A 76 8.486 4.819 -5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.352 2.556 -4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.771 4.137 -4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.825 4.267 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.989 3.035 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.600 1.792 -2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.977 1.480 -3.087 1.00 0.00 H new ATOM 0 HE ARG A 76 9.946 3.081 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.640 2.279 -3.612 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.210 2.813 -3.001 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.966 3.767 0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.393 3.651 -0.879 1.00 0.00 H new ATOM 1116 N ARG A 77 11.224 4.400 -7.358 1.00 0.00 N ATOM 1117 CA ARG A 77 12.266 5.109 -8.091 1.00 0.00 C ATOM 1118 C ARG A 77 11.672 5.895 -9.256 1.00 0.00 C ATOM 1119 O ARG A 77 12.177 6.955 -9.627 1.00 0.00 O ATOM 1120 CB ARG A 77 13.315 4.124 -8.609 1.00 0.00 C ATOM 1121 CG ARG A 77 14.370 3.760 -7.577 1.00 0.00 C ATOM 1122 CD ARG A 77 13.927 2.586 -6.719 1.00 0.00 C ATOM 1123 NE ARG A 77 15.061 1.883 -6.124 1.00 0.00 N ATOM 1124 CZ ARG A 77 15.696 2.303 -5.036 1.00 0.00 C ATOM 1125 NH1 ARG A 77 15.310 3.415 -4.426 1.00 0.00 N ATOM 1126 NH2 ARG A 77 16.720 1.609 -4.554 1.00 0.00 N ATOM 0 H ARG A 77 11.235 3.388 -7.482 1.00 0.00 H new ATOM 0 HA ARG A 77 12.743 5.811 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.814 3.214 -8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.806 4.555 -9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 77 15.304 3.512 -8.081 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.571 4.622 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.267 2.944 -5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.348 1.891 -7.327 1.00 0.00 H new ATOM 0 HE ARG A 77 15.382 1.023 -6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.523 3.951 -4.792 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.800 3.735 -3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.020 0.752 -5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.207 1.933 -3.718 1.00 0.00 H new ATOM 1140 N LYS A 78 10.595 5.369 -9.831 1.00 0.00 N ATOM 1141 CA LYS A 78 9.931 6.020 -10.953 1.00 0.00 C ATOM 1142 C LYS A 78 9.317 7.349 -10.525 1.00 0.00 C ATOM 1143 O LYS A 78 9.688 8.408 -11.034 1.00 0.00 O ATOM 1144 CB LYS A 78 8.846 5.108 -11.530 1.00 0.00 C ATOM 1145 CG LYS A 78 9.369 3.759 -11.993 1.00 0.00 C ATOM 1146 CD LYS A 78 8.468 3.145 -13.051 1.00 0.00 C ATOM 1147 CE LYS A 78 8.779 3.693 -14.436 1.00 0.00 C ATOM 1148 NZ LYS A 78 9.929 2.987 -15.065 1.00 0.00 N ATOM 0 H LYS A 78 10.164 4.493 -9.537 1.00 0.00 H new ATOM 0 HA LYS A 78 10.679 6.215 -11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.076 4.950 -10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.369 5.612 -12.371 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.376 3.876 -12.395 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.443 3.084 -11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.591 2.062 -13.051 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.426 3.347 -12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.899 3.593 -15.072 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.001 4.758 -14.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.110 3.389 -16.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.775 3.103 -14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.707 1.975 -15.157 1.00 0.00 H new ATOM 1162 N TYR A 79 8.378 7.287 -9.588 1.00 0.00 N ATOM 1163 CA TYR A 79 7.712 8.486 -9.092 1.00 0.00 C ATOM 1164 C TYR A 79 8.731 9.552 -8.698 1.00 0.00 C ATOM 1165 O TYR A 79 8.458 10.749 -8.782 1.00 0.00 O ATOM 1166 CB TYR A 79 6.826 8.144 -7.894 1.00 0.00 C ATOM 1167 CG TYR A 79 5.902 9.269 -7.484 1.00 0.00 C ATOM 1168 CD1 TYR A 79 4.842 9.654 -8.296 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.088 9.946 -6.285 1.00 0.00 C ATOM 1170 CE1 TYR A 79 3.996 10.682 -7.926 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.246 10.973 -5.906 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.201 11.337 -6.730 1.00 0.00 C ATOM 1173 OH TYR A 79 3.361 12.361 -6.357 1.00 0.00 O ATOM 0 H TYR A 79 8.060 6.419 -9.156 1.00 0.00 H new ATOM 0 HA TYR A 79 7.090 8.883 -9.894 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.229 7.264 -8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.460 7.879 -7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.677 9.141 -9.232 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.905 9.664 -5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.179 10.971 -8.570 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.405 11.488 -4.970 1.00 0.00 H new ATOM 0 HH TYR A 79 3.279 12.378 -5.381 1.00 0.00 H new ATOM 1183 N ASP A 80 9.906 9.106 -8.268 1.00 0.00 N ATOM 1184 CA ASP A 80 10.968 10.020 -7.862 1.00 0.00 C ATOM 1185 C ASP A 80 11.372 10.931 -9.017 1.00 0.00 C ATOM 1186 O ASP A 80 11.473 12.147 -8.855 1.00 0.00 O ATOM 1187 CB ASP A 80 12.184 9.235 -7.366 1.00 0.00 C ATOM 1188 CG ASP A 80 13.101 10.074 -6.499 1.00 0.00 C ATOM 1189 OD1 ASP A 80 12.620 10.622 -5.485 1.00 0.00 O ATOM 1190 OD2 ASP A 80 14.299 10.185 -6.834 1.00 0.00 O ATOM 0 H ASP A 80 10.147 8.118 -8.191 1.00 0.00 H new ATOM 0 HA ASP A 80 10.589 10.640 -7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.846 8.368 -6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.743 8.858 -8.222 1.00 0.00 H new ATOM 1195 N ARG A 81 11.603 10.334 -10.182 1.00 0.00 N ATOM 1196 CA ARG A 81 11.999 11.092 -11.363 1.00 0.00 C ATOM 1197 C ARG A 81 10.775 11.534 -12.160 1.00 0.00 C ATOM 1198 O ARG A 81 10.897 12.216 -13.177 1.00 0.00 O ATOM 1199 CB ARG A 81 12.921 10.252 -12.249 1.00 0.00 C ATOM 1200 CG ARG A 81 13.861 9.350 -11.466 1.00 0.00 C ATOM 1201 CD ARG A 81 14.674 10.139 -10.451 1.00 0.00 C ATOM 1202 NE ARG A 81 15.420 11.228 -11.074 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.518 11.046 -11.799 1.00 0.00 C ATOM 1204 NH1 ARG A 81 16.995 9.824 -11.991 1.00 0.00 N ATOM 1205 NH2 ARG A 81 17.142 12.088 -12.334 1.00 0.00 N ATOM 0 H ARG A 81 11.523 9.328 -10.333 1.00 0.00 H new ATOM 0 HA ARG A 81 12.536 11.980 -11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.313 9.639 -12.914 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.511 10.918 -12.879 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.285 8.580 -10.953 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.534 8.839 -12.154 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.008 10.545 -9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.367 9.469 -9.943 1.00 0.00 H new ATOM 0 HE ARG A 81 15.080 12.181 -10.946 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.519 9.020 -11.582 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.838 9.687 -12.548 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.779 13.030 -12.189 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.985 11.947 -12.891 1.00 0.00 H new ATOM 1219 N GLY A 82 9.595 11.140 -11.691 1.00 0.00 N ATOM 1220 CA GLY A 82 8.367 11.504 -12.372 1.00 0.00 C ATOM 1221 C GLY A 82 8.046 10.575 -13.526 1.00 0.00 C ATOM 1222 O GLY A 82 7.371 10.966 -14.479 1.00 0.00 O ATOM 0 H GLY A 82 9.468 10.575 -10.851 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.542 11.491 -11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.451 12.525 -12.744 1.00 0.00 H new ATOM 1226 N LEU A 83 8.533 9.341 -13.443 1.00 0.00 N ATOM 1227 CA LEU A 83 8.296 8.354 -14.490 1.00 0.00 C ATOM 1228 C LEU A 83 7.000 7.591 -14.236 1.00 0.00 C ATOM 1229 O LEU A 83 6.414 7.017 -15.155 1.00 0.00 O ATOM 1230 CB LEU A 83 9.469 7.376 -14.571 1.00 0.00 C ATOM 1231 CG LEU A 83 10.860 8.003 -14.676 1.00 0.00 C ATOM 1232 CD1 LEU A 83 11.904 7.097 -14.043 1.00 0.00 C ATOM 1233 CD2 LEU A 83 11.208 8.287 -16.130 1.00 0.00 C ATOM 0 H LEU A 83 9.094 9.001 -12.662 1.00 0.00 H new ATOM 0 HA LEU A 83 8.205 8.882 -15.439 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.446 6.738 -13.688 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.318 6.729 -15.435 1.00 0.00 H new ATOM 0 HG LEU A 83 10.853 8.948 -14.133 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.887 7.560 -14.128 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.664 6.945 -12.991 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.911 6.135 -14.556 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.201 8.733 -16.186 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.196 7.355 -16.696 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.476 8.976 -16.551 1.00 0.00 H new ATOM 1245 N LEU A 84 6.557 7.589 -12.984 1.00 0.00 N ATOM 1246 CA LEU A 84 5.328 6.898 -12.608 1.00 0.00 C ATOM 1247 C LEU A 84 4.104 7.631 -13.148 1.00 0.00 C ATOM 1248 O LEU A 84 4.042 8.860 -13.121 1.00 0.00 O ATOM 1249 CB LEU A 84 5.233 6.777 -11.086 1.00 0.00 C ATOM 1250 CG LEU A 84 4.091 5.912 -10.552 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.393 4.437 -10.766 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.848 6.199 -9.077 1.00 0.00 C ATOM 0 H LEU A 84 7.030 8.058 -12.212 1.00 0.00 H new ATOM 0 HA LEU A 84 5.353 5.900 -13.045 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.174 6.371 -10.714 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.130 7.778 -10.668 1.00 0.00 H new ATOM 0 HG LEU A 84 3.185 6.161 -11.104 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.569 3.837 -10.380 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.516 4.242 -11.831 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.311 4.174 -10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.032 5.574 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.753 5.980 -8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.585 7.249 -8.949 1.00 0.00 H new ATOM 1264 N SER A 85 3.132 6.868 -13.637 1.00 0.00 N ATOM 1265 CA SER A 85 1.910 7.445 -14.185 1.00 0.00 C ATOM 1266 C SER A 85 0.692 7.006 -13.378 1.00 0.00 C ATOM 1267 O SER A 85 0.754 6.041 -12.616 1.00 0.00 O ATOM 1268 CB SER A 85 1.740 7.036 -15.650 1.00 0.00 C ATOM 1269 OG SER A 85 1.911 5.639 -15.812 1.00 0.00 O ATOM 0 H SER A 85 3.167 5.849 -13.665 1.00 0.00 H new ATOM 0 HA SER A 85 1.992 8.530 -14.125 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.750 7.327 -16.000 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.465 7.568 -16.266 1.00 0.00 H new ATOM 0 HG SER A 85 1.796 5.403 -16.756 1.00 0.00 H new ATOM 1275 N ASP A 86 -0.414 7.721 -13.552 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.648 7.406 -12.841 1.00 0.00 C ATOM 1277 C ASP A 86 -2.097 5.979 -13.139 1.00 0.00 C ATOM 1278 O ASP A 86 -2.579 5.273 -12.254 1.00 0.00 O ATOM 1279 CB ASP A 86 -2.751 8.392 -13.228 1.00 0.00 C ATOM 1280 CG ASP A 86 -2.543 9.763 -12.616 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -1.531 10.414 -12.951 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -3.391 10.185 -11.802 1.00 0.00 O ATOM 0 H ASP A 86 -0.482 8.523 -14.179 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.454 7.491 -11.772 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.788 8.484 -14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.716 7.997 -12.909 1.00 0.00 H new ATOM 1287 N GLU A 87 -1.936 5.562 -14.391 1.00 0.00 N ATOM 1288 CA GLU A 87 -2.327 4.219 -14.804 1.00 0.00 C ATOM 1289 C GLU A 87 -1.836 3.177 -13.804 1.00 0.00 C ATOM 1290 O GLU A 87 -2.613 2.360 -13.310 1.00 0.00 O ATOM 1291 CB GLU A 87 -1.771 3.908 -16.196 1.00 0.00 C ATOM 1292 CG GLU A 87 -2.558 4.554 -17.324 1.00 0.00 C ATOM 1293 CD GLU A 87 -2.274 6.037 -17.458 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -2.694 6.804 -16.567 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -1.632 6.431 -18.455 1.00 0.00 O ATOM 0 H GLU A 87 -1.538 6.134 -15.136 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.416 4.179 -14.838 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.735 4.244 -16.248 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.763 2.828 -16.342 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.316 4.055 -18.263 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.624 4.406 -17.150 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.540 3.211 -13.510 1.00 0.00 N ATOM 1303 CA ASP A 88 0.056 2.271 -12.569 1.00 0.00 C ATOM 1304 C ASP A 88 -0.863 2.044 -11.372 1.00 0.00 C ATOM 1305 O ASP A 88 -1.149 0.904 -11.003 1.00 0.00 O ATOM 1306 CB ASP A 88 1.415 2.785 -12.093 1.00 0.00 C ATOM 1307 CG ASP A 88 2.414 2.915 -13.226 1.00 0.00 C ATOM 1308 OD1 ASP A 88 2.786 1.876 -13.811 1.00 0.00 O ATOM 1309 OD2 ASP A 88 2.823 4.055 -13.527 1.00 0.00 O ATOM 0 H ASP A 88 0.117 3.880 -13.911 1.00 0.00 H new ATOM 0 HA ASP A 88 0.196 1.320 -13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.286 3.755 -11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.813 2.107 -11.338 1.00 0.00 H new ATOM 1314 N LEU A 89 -1.322 3.135 -10.770 1.00 0.00 N ATOM 1315 CA LEU A 89 -2.209 3.055 -9.614 1.00 0.00 C ATOM 1316 C LEU A 89 -3.401 2.148 -9.903 1.00 0.00 C ATOM 1317 O LEU A 89 -3.793 1.336 -9.065 1.00 0.00 O ATOM 1318 CB LEU A 89 -2.698 4.451 -9.225 1.00 0.00 C ATOM 1319 CG LEU A 89 -1.624 5.433 -8.757 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -2.057 6.866 -9.024 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -1.324 5.232 -7.278 1.00 0.00 C ATOM 0 H LEU A 89 -1.095 4.085 -11.063 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.646 2.629 -8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.211 4.886 -10.083 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.437 4.347 -8.431 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.712 5.239 -9.322 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.280 7.550 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.220 7.004 -10.093 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.983 7.073 -8.487 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.557 5.940 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.231 5.397 -6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.968 4.215 -7.114 1.00 0.00 H new ATOM 1333 N ARG A 90 -3.971 2.291 -11.095 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.117 1.484 -11.495 1.00 0.00 C ATOM 1335 C ARG A 90 -4.993 0.060 -10.961 1.00 0.00 C ATOM 1336 O ARG A 90 -5.879 -0.432 -10.264 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.243 1.459 -13.019 1.00 0.00 C ATOM 1338 CG ARG A 90 -5.406 2.837 -13.640 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.842 3.326 -13.541 1.00 0.00 C ATOM 1340 NE ARG A 90 -7.122 3.948 -12.250 1.00 0.00 N ATOM 1341 CZ ARG A 90 -8.330 4.356 -11.876 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -9.365 4.207 -12.691 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -8.504 4.912 -10.684 1.00 0.00 N ATOM 0 H ARG A 90 -3.658 2.958 -11.800 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.013 1.936 -11.070 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.358 0.982 -13.440 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.099 0.842 -13.294 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.744 3.544 -13.139 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.103 2.804 -14.687 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.036 4.043 -14.338 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.522 2.488 -13.694 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.347 4.076 -11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.235 3.778 -13.607 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.291 4.521 -12.402 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.710 5.027 -10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.432 5.225 -10.398 1.00 0.00 H new ATOM 1357 N GLY A 91 -3.886 -0.597 -11.293 1.00 0.00 N ATOM 1358 CA GLY A 91 -3.666 -1.957 -10.839 1.00 0.00 C ATOM 1359 C GLY A 91 -2.681 -2.708 -11.714 1.00 0.00 C ATOM 1360 O GLY A 91 -2.590 -2.480 -12.921 1.00 0.00 O ATOM 0 H GLY A 91 -3.137 -0.211 -11.869 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.296 -1.939 -9.814 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.616 -2.491 -10.826 1.00 0.00 H new ATOM 1364 N PRO A 92 -1.921 -3.628 -11.102 1.00 0.00 N ATOM 1365 CA PRO A 92 -0.924 -4.433 -11.814 1.00 0.00 C ATOM 1366 C PRO A 92 -1.564 -5.447 -12.756 1.00 0.00 C ATOM 1367 O PRO A 92 -2.779 -5.635 -12.749 1.00 0.00 O ATOM 1368 CB PRO A 92 -0.175 -5.148 -10.687 1.00 0.00 C ATOM 1369 CG PRO A 92 -1.148 -5.204 -9.560 1.00 0.00 C ATOM 1370 CD PRO A 92 -1.976 -3.953 -9.666 1.00 0.00 C ATOM 0 HA PRO A 92 -0.283 -3.821 -12.448 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.137 -6.147 -10.991 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.727 -4.605 -10.405 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.774 -6.094 -9.629 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.632 -5.251 -8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.000 -4.119 -9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.567 -3.148 -9.056 1.00 0.00 H new ATOM 1378 N GLY A 93 -0.736 -6.100 -13.566 1.00 0.00 N ATOM 1379 CA GLY A 93 -1.239 -7.087 -14.502 1.00 0.00 C ATOM 1380 C GLY A 93 -1.136 -8.501 -13.965 1.00 0.00 C ATOM 1381 O GLY A 93 -1.998 -8.949 -13.209 1.00 0.00 O ATOM 0 H GLY A 93 0.274 -5.963 -13.590 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.281 -6.865 -14.735 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.682 -7.015 -15.436 1.00 0.00 H new ATOM 1385 N SER A 94 -0.080 -9.206 -14.357 1.00 0.00 N ATOM 1386 CA SER A 94 0.130 -10.579 -13.914 1.00 0.00 C ATOM 1387 C SER A 94 1.384 -10.687 -13.052 1.00 0.00 C ATOM 1388 O SER A 94 1.339 -11.188 -11.930 1.00 0.00 O ATOM 1389 CB SER A 94 0.244 -11.515 -15.119 1.00 0.00 C ATOM 1390 OG SER A 94 -0.888 -11.398 -15.964 1.00 0.00 O ATOM 0 H SER A 94 0.644 -8.849 -14.981 1.00 0.00 H new ATOM 0 HA SER A 94 -0.730 -10.875 -13.313 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.148 -11.280 -15.682 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.341 -12.545 -14.776 1.00 0.00 H new ATOM 0 HG SER A 94 -0.790 -12.005 -16.727 1.00 0.00 H new ATOM 1396 N GLY A 95 2.505 -10.212 -13.587 1.00 0.00 N ATOM 1397 CA GLY A 95 3.757 -10.263 -12.855 1.00 0.00 C ATOM 1398 C GLY A 95 4.910 -9.666 -13.636 1.00 0.00 C ATOM 1399 O GLY A 95 4.948 -9.717 -14.866 1.00 0.00 O ATOM 0 H GLY A 95 2.568 -9.793 -14.515 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.645 -9.728 -11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.988 -11.299 -12.608 1.00 0.00 H new ATOM 1403 N PRO A 96 5.880 -9.083 -12.915 1.00 0.00 N ATOM 1404 CA PRO A 96 7.057 -8.462 -13.528 1.00 0.00 C ATOM 1405 C PRO A 96 8.000 -9.489 -14.145 1.00 0.00 C ATOM 1406 O PRO A 96 9.034 -9.136 -14.712 1.00 0.00 O ATOM 1407 CB PRO A 96 7.735 -7.752 -12.353 1.00 0.00 C ATOM 1408 CG PRO A 96 7.295 -8.509 -11.148 1.00 0.00 C ATOM 1409 CD PRO A 96 5.900 -8.987 -11.446 1.00 0.00 C ATOM 0 HA PRO A 96 6.786 -7.797 -14.348 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.820 -7.766 -12.455 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.434 -6.706 -12.295 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.961 -9.349 -10.950 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.309 -7.875 -10.262 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.696 -9.950 -10.977 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.148 -8.288 -11.078 1.00 0.00 H new ATOM 1417 N SER A 97 7.636 -10.763 -14.032 1.00 0.00 N ATOM 1418 CA SER A 97 8.451 -11.842 -14.577 1.00 0.00 C ATOM 1419 C SER A 97 7.608 -12.778 -15.437 1.00 0.00 C ATOM 1420 O SER A 97 6.508 -13.173 -15.051 1.00 0.00 O ATOM 1421 CB SER A 97 9.114 -12.630 -13.445 1.00 0.00 C ATOM 1422 OG SER A 97 8.189 -13.503 -12.821 1.00 0.00 O ATOM 0 H SER A 97 6.782 -11.073 -13.568 1.00 0.00 H new ATOM 0 HA SER A 97 9.225 -11.399 -15.204 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.952 -13.205 -13.840 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.521 -11.939 -12.707 1.00 0.00 H new ATOM 0 HG SER A 97 8.638 -13.996 -12.103 1.00 0.00 H new ATOM 1428 N SER A 98 8.133 -13.130 -16.607 1.00 0.00 N ATOM 1429 CA SER A 98 7.428 -14.016 -17.525 1.00 0.00 C ATOM 1430 C SER A 98 7.579 -15.473 -17.097 1.00 0.00 C ATOM 1431 O SER A 98 6.593 -16.195 -16.957 1.00 0.00 O ATOM 1432 CB SER A 98 7.957 -13.835 -18.950 1.00 0.00 C ATOM 1433 OG SER A 98 7.238 -12.825 -19.636 1.00 0.00 O ATOM 0 H SER A 98 9.044 -12.815 -16.941 1.00 0.00 H new ATOM 0 HA SER A 98 6.370 -13.755 -17.501 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.015 -13.575 -18.918 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.876 -14.776 -19.494 1.00 0.00 H new ATOM 0 HG SER A 98 7.596 -12.727 -20.543 1.00 0.00 H new ATOM 1439 N GLY A 99 8.822 -15.897 -16.890 1.00 0.00 N ATOM 1440 CA GLY A 99 9.080 -17.265 -16.480 1.00 0.00 C ATOM 1441 C GLY A 99 8.826 -17.485 -15.001 1.00 0.00 C ATOM 1442 O GLY A 99 8.589 -16.533 -14.257 1.00 0.00 O ATOM 0 H GLY A 99 9.655 -15.318 -16.999 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.449 -17.940 -17.058 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.114 -17.521 -16.710 1.00 0.00 H new TER 1446 GLY A 99