USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 726 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 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -125:sc= 0.174 USER MOD Single : A 9 SER OG : rot -34:sc= 1.22 USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.371) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 26:sc= 0.722 USER MOD Single : A 20 HIS : no HD1:sc= -15.5! C(o=-16!,f=-19!) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.31 F(o=-2.1,f=-1.3) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 40:sc= 1.09 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.05 USER MOD Single : A 57 THR OG1 : rot 136:sc= -3.81! USER MOD Single : A 58 THR OG1 : rot 175:sc= -4.69! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc=-0.00487 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.621 F(o=-1.9,f=-0.62) USER MOD Single : A 73 TYR OH : rot 90:sc= 0.0152 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -138:sc= -0.179 (180deg=-0.969) USER MOD Single : A 79 ASN :FLIP amide:sc= -1.28! C(o=-2.8!,f=-1.3!) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 21.162 1.734 1.709 1.00 0.00 N ATOM 2 CA LEU A 1 19.896 2.223 2.324 1.00 0.00 C ATOM 3 C LEU A 1 18.816 1.147 2.191 1.00 0.00 C ATOM 4 O LEU A 1 17.805 1.347 1.548 1.00 0.00 O ATOM 5 CB LEU A 1 19.441 3.496 1.608 1.00 0.00 C ATOM 6 CG LEU A 1 19.502 4.678 2.577 1.00 0.00 C ATOM 7 CD1 LEU A 1 18.521 4.447 3.727 1.00 0.00 C ATOM 8 CD2 LEU A 1 20.921 4.806 3.136 1.00 0.00 C ATOM 0 H1 LEU A 1 21.897 2.465 1.799 1.00 0.00 H new ATOM 0 H2 LEU A 1 21.473 0.869 2.195 1.00 0.00 H new ATOM 0 H3 LEU A 1 21.002 1.527 0.703 1.00 0.00 H new ATOM 0 HA LEU A 1 20.063 2.440 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 1 20.078 3.687 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 1 18.425 3.372 1.233 1.00 0.00 H new ATOM 0 HG LEU A 1 19.234 5.594 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 1 18.565 5.289 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 1 17.510 4.355 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 1 18.788 3.531 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 1 20.965 5.648 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 1 21.188 3.890 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 1 21.621 4.971 2.317 1.00 0.00 H new ATOM 22 N LYS A 2 19.023 0.007 2.791 1.00 0.00 N ATOM 23 CA LYS A 2 18.008 -1.080 2.696 1.00 0.00 C ATOM 24 C LYS A 2 16.715 -0.635 3.384 1.00 0.00 C ATOM 25 O LYS A 2 16.750 0.066 4.376 1.00 0.00 O ATOM 26 CB LYS A 2 18.544 -2.338 3.381 1.00 0.00 C ATOM 27 CG LYS A 2 19.059 -1.979 4.776 1.00 0.00 C ATOM 28 CD LYS A 2 18.342 -2.835 5.822 1.00 0.00 C ATOM 29 CE LYS A 2 19.158 -4.099 6.095 1.00 0.00 C ATOM 30 NZ LYS A 2 19.723 -4.037 7.473 1.00 0.00 N ATOM 0 H LYS A 2 19.851 -0.219 3.343 1.00 0.00 H new ATOM 0 HA LYS A 2 17.804 -1.296 1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.757 -3.088 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.347 -2.775 2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.135 -2.144 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.888 -0.921 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 2 18.211 -2.268 6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.346 -3.102 5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.528 -4.982 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.962 -4.191 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.278 -4.896 7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.337 -3.202 7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.948 -3.969 8.163 1.00 0.00 H new ATOM 44 N PRO A 3 15.611 -1.064 2.833 1.00 0.00 N ATOM 45 CA PRO A 3 14.318 -0.385 3.005 1.00 0.00 C ATOM 46 C PRO A 3 13.703 -0.769 4.353 1.00 0.00 C ATOM 47 O PRO A 3 13.273 -1.887 4.551 1.00 0.00 O ATOM 48 CB PRO A 3 13.477 -0.923 1.845 1.00 0.00 C ATOM 49 CG PRO A 3 14.112 -2.271 1.433 1.00 0.00 C ATOM 50 CD PRO A 3 15.550 -2.270 1.986 1.00 0.00 C ATOM 0 HA PRO A 3 14.392 0.702 2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.439 -1.059 2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.475 -0.223 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.542 -3.107 1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.114 -2.382 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.756 -3.172 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.286 -2.230 1.183 1.00 0.00 H new ATOM 58 N LYS A 4 13.660 0.143 5.284 1.00 0.00 N ATOM 59 CA LYS A 4 13.073 -0.187 6.611 1.00 0.00 C ATOM 60 C LYS A 4 11.617 0.275 6.645 1.00 0.00 C ATOM 61 O LYS A 4 11.315 1.366 7.085 1.00 0.00 O ATOM 62 CB LYS A 4 13.863 0.521 7.714 1.00 0.00 C ATOM 63 CG LYS A 4 14.903 -0.441 8.292 1.00 0.00 C ATOM 64 CD LYS A 4 15.293 0.014 9.699 1.00 0.00 C ATOM 65 CE LYS A 4 15.894 -1.163 10.468 1.00 0.00 C ATOM 66 NZ LYS A 4 15.753 -0.923 11.932 1.00 0.00 N ATOM 0 H LYS A 4 14.004 1.098 5.184 1.00 0.00 H new ATOM 0 HA LYS A 4 13.119 -1.264 6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.355 1.407 7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.188 0.859 8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.499 -1.453 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.784 -0.470 7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.013 0.830 9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.418 0.397 10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.390 -2.088 10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.946 -1.282 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.162 -1.723 12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.253 -0.049 12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.746 -0.830 12.173 1.00 0.00 H new ATOM 80 N ILE A 5 10.716 -0.551 6.178 1.00 0.00 N ATOM 81 CA ILE A 5 9.274 -0.173 6.174 1.00 0.00 C ATOM 82 C ILE A 5 8.718 -0.288 7.598 1.00 0.00 C ATOM 83 O ILE A 5 8.702 -1.351 8.185 1.00 0.00 O ATOM 84 CB ILE A 5 8.513 -1.106 5.218 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.218 -0.436 4.761 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.178 -2.425 5.911 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.146 -0.464 3.234 1.00 0.00 C ATOM 0 H ILE A 5 10.920 -1.475 5.798 1.00 0.00 H new ATOM 0 HA ILE A 5 9.153 0.855 5.833 1.00 0.00 H new ATOM 0 HB ILE A 5 9.148 -1.308 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.358 -0.953 5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.181 0.593 5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.639 -3.073 5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.099 -2.915 6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.556 -2.229 6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.223 0.013 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.000 0.072 2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.164 -1.497 2.888 1.00 0.00 H new ATOM 99 N LEU A 6 8.276 0.805 8.162 1.00 0.00 N ATOM 100 CA LEU A 6 7.740 0.759 9.551 1.00 0.00 C ATOM 101 C LEU A 6 6.222 0.964 9.544 1.00 0.00 C ATOM 102 O LEU A 6 5.575 0.826 10.562 1.00 0.00 O ATOM 103 CB LEU A 6 8.397 1.861 10.384 1.00 0.00 C ATOM 104 CG LEU A 6 9.173 1.231 11.542 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.315 0.377 10.988 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.749 2.337 12.430 1.00 0.00 C ATOM 0 H LEU A 6 8.264 1.725 7.721 1.00 0.00 H new ATOM 0 HA LEU A 6 7.962 -0.216 9.984 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.069 2.451 9.761 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.638 2.542 10.769 1.00 0.00 H new ATOM 0 HG LEU A 6 8.503 0.603 12.129 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.867 -0.072 11.814 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.906 -0.410 10.355 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.986 1.004 10.400 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.302 1.890 13.256 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.419 2.964 11.842 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.936 2.946 12.826 1.00 0.00 H new ATOM 118 N THR A 7 5.649 1.297 8.412 1.00 0.00 N ATOM 119 CA THR A 7 4.169 1.510 8.358 1.00 0.00 C ATOM 120 C THR A 7 3.462 0.466 9.231 1.00 0.00 C ATOM 121 O THR A 7 3.641 -0.724 9.063 1.00 0.00 O ATOM 122 CB THR A 7 3.683 1.373 6.914 1.00 0.00 C ATOM 123 OG1 THR A 7 2.275 1.180 6.907 1.00 0.00 O ATOM 124 CG2 THR A 7 4.367 0.177 6.255 1.00 0.00 C ATOM 0 H THR A 7 6.140 1.430 7.528 1.00 0.00 H new ATOM 0 HA THR A 7 3.939 2.509 8.729 1.00 0.00 H new ATOM 0 HB THR A 7 3.929 2.279 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.059 0.365 6.407 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.020 0.081 5.226 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.447 0.327 6.261 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.123 -0.731 6.807 1.00 0.00 H new ATOM 132 N ALA A 8 2.669 0.909 10.168 1.00 0.00 N ATOM 133 CA ALA A 8 1.954 -0.046 11.064 1.00 0.00 C ATOM 134 C ALA A 8 1.355 -1.185 10.248 1.00 0.00 C ATOM 135 O ALA A 8 1.594 -2.348 10.506 1.00 0.00 O ATOM 136 CB ALA A 8 0.838 0.691 11.805 1.00 0.00 C ATOM 0 H ALA A 8 2.484 1.895 10.353 1.00 0.00 H new ATOM 0 HA ALA A 8 2.663 -0.459 11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.315 -0.005 12.460 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.267 1.497 12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.136 1.108 11.083 1.00 0.00 H new ATOM 142 N SER A 9 0.580 -0.855 9.268 1.00 0.00 N ATOM 143 CA SER A 9 -0.048 -1.905 8.420 1.00 0.00 C ATOM 144 C SER A 9 -1.041 -2.717 9.257 1.00 0.00 C ATOM 145 O SER A 9 -0.729 -3.176 10.338 1.00 0.00 O ATOM 146 CB SER A 9 1.040 -2.826 7.878 1.00 0.00 C ATOM 147 OG SER A 9 1.194 -3.937 8.752 1.00 0.00 O ATOM 0 H SER A 9 0.348 0.104 9.010 1.00 0.00 H new ATOM 0 HA SER A 9 -0.579 -1.438 7.591 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.777 -3.169 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.982 -2.284 7.791 1.00 0.00 H new ATOM 0 HG SER A 9 1.039 -3.650 9.676 1.00 0.00 H new ATOM 153 N ARG A 10 -2.235 -2.896 8.762 1.00 0.00 N ATOM 154 CA ARG A 10 -3.255 -3.676 9.520 1.00 0.00 C ATOM 155 C ARG A 10 -4.508 -3.824 8.664 1.00 0.00 C ATOM 156 O ARG A 10 -4.674 -4.785 7.941 1.00 0.00 O ATOM 157 CB ARG A 10 -3.603 -2.944 10.818 1.00 0.00 C ATOM 158 CG ARG A 10 -3.018 -3.708 12.007 1.00 0.00 C ATOM 159 CD ARG A 10 -2.456 -2.717 13.027 1.00 0.00 C ATOM 160 NE ARG A 10 -3.563 -2.205 13.884 1.00 0.00 N ATOM 161 CZ ARG A 10 -3.574 -2.471 15.162 1.00 0.00 C ATOM 162 NH1 ARG A 10 -2.451 -2.564 15.819 1.00 0.00 N ATOM 163 NH2 ARG A 10 -4.710 -2.642 15.783 1.00 0.00 N ATOM 0 H ARG A 10 -2.550 -2.534 7.862 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.857 -4.662 9.761 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.206 -1.929 10.793 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.685 -2.861 10.922 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.788 -4.325 12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.231 -4.382 11.668 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.699 -3.203 13.643 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.966 -1.889 12.514 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.311 -1.647 13.472 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.564 -2.429 15.334 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.460 -2.772 16.818 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.588 -2.568 15.269 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.719 -2.850 16.782 1.00 0.00 H new ATOM 177 N LYS A 11 -5.383 -2.871 8.738 1.00 0.00 N ATOM 178 CA LYS A 11 -6.630 -2.930 7.925 1.00 0.00 C ATOM 179 C LYS A 11 -6.997 -1.522 7.460 1.00 0.00 C ATOM 180 O LYS A 11 -6.293 -0.567 7.722 1.00 0.00 O ATOM 181 CB LYS A 11 -7.778 -3.497 8.763 1.00 0.00 C ATOM 182 CG LYS A 11 -7.947 -2.659 10.032 1.00 0.00 C ATOM 183 CD LYS A 11 -8.160 -3.584 11.232 1.00 0.00 C ATOM 184 CE LYS A 11 -7.340 -3.077 12.419 1.00 0.00 C ATOM 185 NZ LYS A 11 -7.736 -1.676 12.734 1.00 0.00 N ATOM 0 H LYS A 11 -5.292 -2.045 9.330 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.462 -3.576 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.702 -3.491 8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.573 -4.535 9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.065 -2.038 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.796 -1.985 9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.217 -3.618 11.495 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.861 -4.601 10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.503 -3.716 13.287 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.276 -3.122 12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.483 -1.457 13.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.239 -1.023 12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.763 -1.569 12.608 1.00 0.00 H new ATOM 199 N ILE A 12 -8.094 -1.389 6.773 1.00 0.00 N ATOM 200 CA ILE A 12 -8.516 -0.050 6.286 1.00 0.00 C ATOM 201 C ILE A 12 -10.033 -0.049 6.094 1.00 0.00 C ATOM 202 O ILE A 12 -10.537 -0.419 5.051 1.00 0.00 O ATOM 203 CB ILE A 12 -7.824 0.243 4.954 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.338 0.521 5.199 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.464 1.464 4.299 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.190 1.752 6.095 1.00 0.00 C ATOM 0 H ILE A 12 -8.720 -2.155 6.526 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.239 0.717 7.010 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.932 -0.620 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.868 -0.343 5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.827 0.685 4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.968 1.670 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.522 1.269 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.360 2.327 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.132 1.950 6.269 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.645 2.614 5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.687 1.570 7.048 1.00 0.00 H new ATOM 218 N LYS A 13 -10.765 0.351 7.097 1.00 0.00 N ATOM 219 CA LYS A 13 -12.250 0.363 6.978 1.00 0.00 C ATOM 220 C LYS A 13 -12.693 1.555 6.128 1.00 0.00 C ATOM 221 O LYS A 13 -12.858 2.654 6.620 1.00 0.00 O ATOM 222 CB LYS A 13 -12.873 0.472 8.372 1.00 0.00 C ATOM 223 CG LYS A 13 -12.333 1.717 9.079 1.00 0.00 C ATOM 224 CD LYS A 13 -13.501 2.551 9.607 1.00 0.00 C ATOM 225 CE LYS A 13 -13.253 2.909 11.073 1.00 0.00 C ATOM 226 NZ LYS A 13 -14.460 3.583 11.632 1.00 0.00 N ATOM 0 H LYS A 13 -10.399 0.670 7.994 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.579 -0.560 6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.959 0.528 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.642 -0.419 8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.679 1.426 9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.733 2.309 8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.610 3.459 9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.432 1.993 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.028 2.009 11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.386 3.564 11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.291 3.826 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.655 4.450 11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.277 2.943 11.565 1.00 0.00 H new ATOM 240 N ILE A 14 -12.893 1.345 4.856 1.00 0.00 N ATOM 241 CA ILE A 14 -13.334 2.463 3.976 1.00 0.00 C ATOM 242 C ILE A 14 -14.828 2.296 3.666 1.00 0.00 C ATOM 243 O ILE A 14 -15.350 1.198 3.652 1.00 0.00 O ATOM 244 CB ILE A 14 -12.525 2.438 2.672 1.00 0.00 C ATOM 245 CG1 ILE A 14 -11.072 2.054 2.978 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.567 3.820 2.015 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.200 2.246 1.731 1.00 0.00 C ATOM 0 H ILE A 14 -12.770 0.447 4.388 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.170 3.417 4.478 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.956 1.704 1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.691 2.666 3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.024 1.016 3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.992 3.800 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.601 4.087 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.138 4.558 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.171 1.970 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.574 1.614 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.235 3.290 1.420 1.00 0.00 H new ATOM 259 N LYS A 15 -15.524 3.370 3.420 1.00 0.00 N ATOM 260 CA LYS A 15 -16.979 3.253 3.109 1.00 0.00 C ATOM 261 C LYS A 15 -17.150 3.162 1.592 1.00 0.00 C ATOM 262 O LYS A 15 -16.286 3.565 0.840 1.00 0.00 O ATOM 263 CB LYS A 15 -17.722 4.483 3.636 1.00 0.00 C ATOM 264 CG LYS A 15 -19.162 4.107 3.990 1.00 0.00 C ATOM 265 CD LYS A 15 -19.240 3.719 5.469 1.00 0.00 C ATOM 266 CE LYS A 15 -20.563 4.214 6.058 1.00 0.00 C ATOM 267 NZ LYS A 15 -20.755 3.623 7.413 1.00 0.00 N ATOM 0 H LYS A 15 -15.153 4.320 3.420 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.388 2.362 3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.213 4.877 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.717 5.272 2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.828 4.946 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.496 3.277 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.164 2.637 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.402 4.153 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.561 5.302 6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.391 3.934 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.654 3.959 7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.775 2.586 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.971 3.911 8.032 1.00 0.00 H new ATOM 281 N ALA A 16 -18.250 2.635 1.131 1.00 0.00 N ATOM 282 CA ALA A 16 -18.447 2.528 -0.341 1.00 0.00 C ATOM 283 C ALA A 16 -18.633 3.926 -0.932 1.00 0.00 C ATOM 284 O ALA A 16 -19.226 4.790 -0.323 1.00 0.00 O ATOM 285 CB ALA A 16 -19.680 1.681 -0.643 1.00 0.00 C ATOM 0 H ALA A 16 -19.014 2.277 1.704 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.571 2.055 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.816 1.608 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.547 0.683 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.559 2.146 -0.197 1.00 0.00 H new ATOM 291 N GLY A 17 -18.132 4.150 -2.115 1.00 0.00 N ATOM 292 CA GLY A 17 -18.271 5.491 -2.751 1.00 0.00 C ATOM 293 C GLY A 17 -17.589 6.545 -1.874 1.00 0.00 C ATOM 294 O GLY A 17 -18.047 7.665 -1.769 1.00 0.00 O ATOM 0 H GLY A 17 -17.630 3.459 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.822 5.483 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.325 5.737 -2.880 1.00 0.00 H new ATOM 298 N PHE A 18 -16.504 6.195 -1.230 1.00 0.00 N ATOM 299 CA PHE A 18 -15.812 7.188 -0.348 1.00 0.00 C ATOM 300 C PHE A 18 -14.382 7.447 -0.819 1.00 0.00 C ATOM 301 O PHE A 18 -13.918 6.908 -1.810 1.00 0.00 O ATOM 302 CB PHE A 18 -15.746 6.655 1.082 1.00 0.00 C ATOM 303 CG PHE A 18 -16.956 7.115 1.847 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.223 6.941 1.295 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.813 7.697 3.111 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.359 7.349 2.004 1.00 0.00 C ATOM 307 CE2 PHE A 18 -17.947 8.109 3.822 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.220 7.934 3.268 1.00 0.00 C ATOM 0 H PHE A 18 -16.069 5.273 -1.275 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.382 8.116 -0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.701 5.566 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.838 7.008 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.329 6.491 0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.830 7.828 3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.341 7.213 1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -17.839 8.561 4.797 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.095 8.250 3.816 1.00 0.00 H new ATOM 318 N THR A 19 -13.680 8.271 -0.082 1.00 0.00 N ATOM 319 CA THR A 19 -12.270 8.595 -0.425 1.00 0.00 C ATOM 320 C THR A 19 -11.369 8.209 0.751 1.00 0.00 C ATOM 321 O THR A 19 -11.590 8.618 1.873 1.00 0.00 O ATOM 322 CB THR A 19 -12.141 10.097 -0.691 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.467 10.814 0.492 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.094 10.505 -1.815 1.00 0.00 C ATOM 0 H THR A 19 -14.033 8.737 0.754 1.00 0.00 H new ATOM 0 HA THR A 19 -11.972 8.043 -1.316 1.00 0.00 H new ATOM 0 HB THR A 19 -11.117 10.326 -0.987 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.290 10.252 1.275 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.000 11.575 -2.002 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.844 9.955 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.119 10.277 -1.524 1.00 0.00 H new ATOM 332 N HIS A 20 -10.362 7.419 0.506 1.00 0.00 N ATOM 333 CA HIS A 20 -9.455 7.001 1.616 1.00 0.00 C ATOM 334 C HIS A 20 -8.052 7.566 1.383 1.00 0.00 C ATOM 335 O HIS A 20 -7.693 7.937 0.284 1.00 0.00 O ATOM 336 CB HIS A 20 -9.378 5.474 1.647 1.00 0.00 C ATOM 337 CG HIS A 20 -9.387 4.983 3.064 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.514 5.060 3.863 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.422 4.377 3.828 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.208 4.511 5.050 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.942 4.081 5.085 1.00 0.00 N ATOM 0 H HIS A 20 -10.126 7.044 -0.413 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.844 7.378 2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.221 5.049 1.102 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.471 5.138 1.144 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.414 4.163 3.504 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.900 4.427 5.875 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.461 3.633 5.865 1.00 0.00 H new ATOM 349 N ASN A 21 -7.251 7.617 2.411 1.00 0.00 N ATOM 350 CA ASN A 21 -5.863 8.135 2.257 1.00 0.00 C ATOM 351 C ASN A 21 -4.905 7.148 2.922 1.00 0.00 C ATOM 352 O ASN A 21 -4.634 7.225 4.104 1.00 0.00 O ATOM 353 CB ASN A 21 -5.742 9.508 2.918 1.00 0.00 C ATOM 354 CG ASN A 21 -6.137 9.405 4.392 1.00 0.00 C ATOM 355 OD1 ASN A 21 -7.388 9.206 4.708 1.00 0.00 O flip ATOM 356 ND2 ASN A 21 -5.299 9.507 5.266 1.00 0.00 N flip ATOM 0 H ASN A 21 -7.499 7.321 3.355 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.617 8.239 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.720 9.876 2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.384 10.226 2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.321 9.662 5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.573 9.437 6.246 1.00 0.00 H new ATOM 363 N LEU A 22 -4.411 6.205 2.171 1.00 0.00 N ATOM 364 CA LEU A 22 -3.492 5.185 2.741 1.00 0.00 C ATOM 365 C LEU A 22 -2.076 5.750 2.854 1.00 0.00 C ATOM 366 O LEU A 22 -1.563 6.359 1.933 1.00 0.00 O ATOM 367 CB LEU A 22 -3.497 3.985 1.804 1.00 0.00 C ATOM 368 CG LEU A 22 -2.575 2.891 2.328 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.123 1.543 1.872 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.166 3.078 1.760 1.00 0.00 C ATOM 0 H LEU A 22 -4.608 6.097 1.176 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.821 4.896 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.511 3.597 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.176 4.293 0.809 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.528 2.938 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.476 0.745 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.129 1.406 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.156 1.513 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.513 2.292 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.202 3.025 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.777 4.050 2.063 1.00 0.00 H new ATOM 382 N GLU A 23 -1.437 5.547 3.976 1.00 0.00 N ATOM 383 CA GLU A 23 -0.053 6.069 4.154 1.00 0.00 C ATOM 384 C GLU A 23 0.897 4.921 4.516 1.00 0.00 C ATOM 385 O GLU A 23 0.499 3.921 5.079 1.00 0.00 O ATOM 386 CB GLU A 23 -0.043 7.109 5.275 1.00 0.00 C ATOM 387 CG GLU A 23 -0.962 6.646 6.408 1.00 0.00 C ATOM 388 CD GLU A 23 -0.784 7.565 7.618 1.00 0.00 C ATOM 389 OE1 GLU A 23 -1.020 8.754 7.474 1.00 0.00 O ATOM 390 OE2 GLU A 23 -0.415 7.065 8.667 1.00 0.00 O ATOM 0 H GLU A 23 -1.816 5.041 4.777 1.00 0.00 H new ATOM 0 HA GLU A 23 0.279 6.528 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.972 7.247 5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.376 8.074 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.000 6.660 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.729 5.617 6.682 1.00 0.00 H new ATOM 397 N VAL A 24 2.154 5.071 4.196 1.00 0.00 N ATOM 398 CA VAL A 24 3.157 4.011 4.510 1.00 0.00 C ATOM 399 C VAL A 24 4.548 4.652 4.530 1.00 0.00 C ATOM 400 O VAL A 24 4.751 5.722 3.990 1.00 0.00 O ATOM 401 CB VAL A 24 3.110 2.917 3.434 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.400 2.093 3.469 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.921 1.993 3.696 1.00 0.00 C ATOM 0 H VAL A 24 2.534 5.892 3.725 1.00 0.00 H new ATOM 0 HA VAL A 24 2.935 3.562 5.478 1.00 0.00 H new ATOM 0 HB VAL A 24 3.006 3.387 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.358 1.319 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.253 2.745 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.508 1.628 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.888 1.217 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.028 1.532 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.997 2.571 3.666 1.00 0.00 H new ATOM 413 N ASP A 25 5.510 4.015 5.143 1.00 0.00 N ATOM 414 CA ASP A 25 6.873 4.612 5.182 1.00 0.00 C ATOM 415 C ASP A 25 7.936 3.519 5.246 1.00 0.00 C ATOM 416 O ASP A 25 7.761 2.504 5.890 1.00 0.00 O ATOM 417 CB ASP A 25 6.998 5.517 6.409 1.00 0.00 C ATOM 418 CG ASP A 25 5.722 6.344 6.568 1.00 0.00 C ATOM 419 OD1 ASP A 25 4.763 5.820 7.112 1.00 0.00 O ATOM 420 OD2 ASP A 25 5.724 7.488 6.143 1.00 0.00 O ATOM 0 H ASP A 25 5.411 3.116 5.614 1.00 0.00 H new ATOM 0 HA ASP A 25 7.026 5.196 4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.167 4.915 7.302 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.860 6.176 6.301 1.00 0.00 H new ATOM 425 N PHE A 26 9.048 3.728 4.592 1.00 0.00 N ATOM 426 CA PHE A 26 10.133 2.707 4.630 1.00 0.00 C ATOM 427 C PHE A 26 11.454 3.352 4.211 1.00 0.00 C ATOM 428 O PHE A 26 11.551 3.984 3.179 1.00 0.00 O ATOM 429 CB PHE A 26 9.794 1.536 3.701 1.00 0.00 C ATOM 430 CG PHE A 26 9.661 2.017 2.278 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.426 2.476 1.805 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.771 1.990 1.425 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.301 2.910 0.481 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.647 2.426 0.102 1.00 0.00 C ATOM 435 CZ PHE A 26 9.411 2.886 -0.371 1.00 0.00 C ATOM 0 H PHE A 26 9.250 4.558 4.036 1.00 0.00 H new ATOM 0 HA PHE A 26 10.228 2.322 5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.573 0.776 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.864 1.066 4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.569 2.495 2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.723 1.632 1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.348 3.264 0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.504 2.408 -0.555 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.315 3.222 -1.393 1.00 0.00 H new ATOM 445 N ILE A 27 12.470 3.210 5.020 1.00 0.00 N ATOM 446 CA ILE A 27 13.785 3.831 4.685 1.00 0.00 C ATOM 447 C ILE A 27 14.536 2.965 3.675 1.00 0.00 C ATOM 448 O ILE A 27 15.365 2.151 4.033 1.00 0.00 O ATOM 449 CB ILE A 27 14.616 3.978 5.960 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.070 5.146 6.778 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.079 4.257 5.600 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.580 4.930 7.048 1.00 0.00 C ATOM 0 H ILE A 27 12.446 2.691 5.898 1.00 0.00 H new ATOM 0 HA ILE A 27 13.614 4.814 4.245 1.00 0.00 H new ATOM 0 HB ILE A 27 14.558 3.056 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.612 5.229 7.720 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.221 6.082 6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.665 4.361 6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.472 3.430 5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.142 5.179 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.191 5.764 7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.044 4.869 6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.442 4.003 7.604 1.00 0.00 H new ATOM 464 N GLY A 28 14.261 3.148 2.415 1.00 0.00 N ATOM 465 CA GLY A 28 14.962 2.347 1.371 1.00 0.00 C ATOM 466 C GLY A 28 15.545 3.286 0.315 1.00 0.00 C ATOM 467 O GLY A 28 15.074 4.390 0.127 1.00 0.00 O ATOM 0 H GLY A 28 13.579 3.819 2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.756 1.754 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.267 1.647 0.907 1.00 0.00 H new ATOM 471 N ALA A 29 16.566 2.856 -0.378 1.00 0.00 N ATOM 472 CA ALA A 29 17.179 3.724 -1.425 1.00 0.00 C ATOM 473 C ALA A 29 18.570 3.187 -1.784 1.00 0.00 C ATOM 474 O ALA A 29 19.070 2.289 -1.136 1.00 0.00 O ATOM 475 CB ALA A 29 17.294 5.155 -0.896 1.00 0.00 C ATOM 0 H ALA A 29 17.002 1.941 -0.264 1.00 0.00 H new ATOM 0 HA ALA A 29 16.553 3.720 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 29 17.742 5.790 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.302 5.532 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 29 17.920 5.164 -0.004 1.00 0.00 H new ATOM 481 N PRO A 30 19.147 3.744 -2.820 1.00 0.00 N ATOM 482 CA PRO A 30 18.533 4.833 -3.601 1.00 0.00 C ATOM 483 C PRO A 30 17.408 4.295 -4.482 1.00 0.00 C ATOM 484 O PRO A 30 17.454 3.179 -4.960 1.00 0.00 O ATOM 485 CB PRO A 30 19.684 5.368 -4.451 1.00 0.00 C ATOM 486 CG PRO A 30 20.716 4.227 -4.539 1.00 0.00 C ATOM 487 CD PRO A 30 20.469 3.319 -3.320 1.00 0.00 C ATOM 0 HA PRO A 30 18.083 5.603 -2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.335 5.655 -5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.123 6.257 -3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.599 3.669 -5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.732 4.621 -4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.470 2.266 -3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.242 3.448 -2.563 1.00 0.00 H new ATOM 495 N ASP A 31 16.405 5.095 -4.693 1.00 0.00 N ATOM 496 CA ASP A 31 15.251 4.676 -5.539 1.00 0.00 C ATOM 497 C ASP A 31 14.940 3.190 -5.321 1.00 0.00 C ATOM 498 O ASP A 31 15.273 2.362 -6.145 1.00 0.00 O ATOM 499 CB ASP A 31 15.586 4.916 -7.013 1.00 0.00 C ATOM 500 CG ASP A 31 14.548 5.857 -7.627 1.00 0.00 C ATOM 501 OD1 ASP A 31 13.396 5.773 -7.235 1.00 0.00 O ATOM 502 OD2 ASP A 31 14.924 6.645 -8.479 1.00 0.00 O ATOM 0 H ASP A 31 16.332 6.038 -4.310 1.00 0.00 H new ATOM 0 HA ASP A 31 14.377 5.264 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.583 5.348 -7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.598 3.969 -7.553 1.00 0.00 H new ATOM 507 N PRO A 32 14.303 2.901 -4.215 1.00 0.00 N ATOM 508 CA PRO A 32 13.920 1.525 -3.853 1.00 0.00 C ATOM 509 C PRO A 32 12.663 1.108 -4.620 1.00 0.00 C ATOM 510 O PRO A 32 12.088 1.886 -5.356 1.00 0.00 O ATOM 511 CB PRO A 32 13.623 1.617 -2.355 1.00 0.00 C ATOM 512 CG PRO A 32 13.289 3.101 -2.074 1.00 0.00 C ATOM 513 CD PRO A 32 13.907 3.919 -3.222 1.00 0.00 C ATOM 0 HA PRO A 32 14.689 0.790 -4.090 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.788 0.971 -2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.481 1.293 -1.767 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.211 3.253 -2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.697 3.414 -1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.190 4.626 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.765 4.499 -2.882 1.00 0.00 H new ATOM 521 N THR A 33 12.225 -0.107 -4.446 1.00 0.00 N ATOM 522 CA THR A 33 11.000 -0.562 -5.155 1.00 0.00 C ATOM 523 C THR A 33 9.853 -0.671 -4.149 1.00 0.00 C ATOM 524 O THR A 33 10.065 -0.917 -2.981 1.00 0.00 O ATOM 525 CB THR A 33 11.256 -1.931 -5.791 1.00 0.00 C ATOM 526 OG1 THR A 33 12.604 -1.998 -6.237 1.00 0.00 O ATOM 527 CG2 THR A 33 10.313 -2.130 -6.979 1.00 0.00 C ATOM 0 H THR A 33 12.663 -0.804 -3.843 1.00 0.00 H new ATOM 0 HA THR A 33 10.738 0.153 -5.935 1.00 0.00 H new ATOM 0 HB THR A 33 11.076 -2.714 -5.054 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.771 -2.874 -6.643 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.497 -3.105 -7.430 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.280 -2.078 -6.636 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.490 -1.349 -7.718 1.00 0.00 H new ATOM 535 N ALA A 34 8.641 -0.491 -4.591 1.00 0.00 N ATOM 536 CA ALA A 34 7.483 -0.590 -3.657 1.00 0.00 C ATOM 537 C ALA A 34 6.233 -0.947 -4.460 1.00 0.00 C ATOM 538 O ALA A 34 5.667 -0.121 -5.149 1.00 0.00 O ATOM 539 CB ALA A 34 7.278 0.747 -2.941 1.00 0.00 C ATOM 0 H ALA A 34 8.400 -0.279 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 34 7.674 -1.361 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.431 0.669 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.176 0.999 -2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.082 1.527 -3.676 1.00 0.00 H new ATOM 545 N THR A 35 5.808 -2.177 -4.391 1.00 0.00 N ATOM 546 CA THR A 35 4.608 -2.596 -5.164 1.00 0.00 C ATOM 547 C THR A 35 3.353 -2.502 -4.295 1.00 0.00 C ATOM 548 O THR A 35 3.277 -3.078 -3.224 1.00 0.00 O ATOM 549 CB THR A 35 4.790 -4.040 -5.636 1.00 0.00 C ATOM 550 OG1 THR A 35 5.976 -4.138 -6.412 1.00 0.00 O ATOM 551 CG2 THR A 35 3.587 -4.457 -6.483 1.00 0.00 C ATOM 0 H THR A 35 6.241 -2.911 -3.831 1.00 0.00 H new ATOM 0 HA THR A 35 4.492 -1.934 -6.022 1.00 0.00 H new ATOM 0 HB THR A 35 4.867 -4.698 -4.771 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.094 -5.063 -6.713 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.718 -5.486 -6.819 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.678 -4.383 -5.886 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.507 -3.800 -7.349 1.00 0.00 H new ATOM 559 N TRP A 36 2.363 -1.793 -4.768 1.00 0.00 N ATOM 560 CA TRP A 36 1.087 -1.659 -4.010 1.00 0.00 C ATOM 561 C TRP A 36 0.092 -2.690 -4.567 1.00 0.00 C ATOM 562 O TRP A 36 -0.698 -2.412 -5.469 1.00 0.00 O ATOM 563 CB TRP A 36 0.540 -0.244 -4.197 1.00 0.00 C ATOM 564 CG TRP A 36 0.978 0.631 -3.061 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.777 1.719 -3.175 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.653 0.517 -1.644 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.952 2.279 -1.926 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.281 1.577 -0.950 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.118 -0.390 -0.903 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.147 1.731 0.428 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.253 -0.239 0.485 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.376 0.819 1.149 1.00 0.00 C ATOM 0 H TRP A 36 2.385 -1.295 -5.658 1.00 0.00 H new ATOM 0 HA TRP A 36 1.246 -1.836 -2.946 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.893 0.169 -5.142 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.549 -0.270 -4.248 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.207 2.088 -4.094 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.511 3.113 -1.747 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.611 -1.210 -1.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.636 2.550 0.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.847 -0.945 1.045 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.265 0.930 2.218 1.00 0.00 H new ATOM 583 N THR A 37 0.143 -3.895 -4.061 1.00 0.00 N ATOM 584 CA THR A 37 -0.763 -4.954 -4.584 1.00 0.00 C ATOM 585 C THR A 37 -2.003 -5.108 -3.715 1.00 0.00 C ATOM 586 O THR A 37 -2.036 -4.730 -2.563 1.00 0.00 O ATOM 587 CB THR A 37 -0.010 -6.285 -4.646 1.00 0.00 C ATOM 588 OG1 THR A 37 0.845 -6.395 -3.516 1.00 0.00 O ATOM 589 CG2 THR A 37 0.826 -6.350 -5.926 1.00 0.00 C ATOM 0 H THR A 37 0.770 -4.188 -3.312 1.00 0.00 H new ATOM 0 HA THR A 37 -1.087 -4.660 -5.582 1.00 0.00 H new ATOM 0 HB THR A 37 -0.728 -7.105 -4.645 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.385 -6.050 -2.723 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.360 -7.300 -5.964 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.171 -6.267 -6.793 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.544 -5.530 -5.934 1.00 0.00 H new ATOM 597 N VAL A 38 -3.038 -5.640 -4.300 1.00 0.00 N ATOM 598 CA VAL A 38 -4.321 -5.814 -3.579 1.00 0.00 C ATOM 599 C VAL A 38 -4.452 -7.253 -3.079 1.00 0.00 C ATOM 600 O VAL A 38 -5.511 -7.847 -3.127 1.00 0.00 O ATOM 601 CB VAL A 38 -5.446 -5.489 -4.558 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.509 -6.565 -5.638 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.778 -5.428 -3.825 1.00 0.00 C ATOM 0 H VAL A 38 -3.045 -5.967 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.367 -5.154 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.248 -4.520 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.313 -6.332 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.560 -6.599 -6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.699 -7.534 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.573 -5.195 -4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.980 -6.391 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.737 -4.654 -3.059 1.00 0.00 H new ATOM 613 N GLY A 39 -3.381 -7.800 -2.580 1.00 0.00 N ATOM 614 CA GLY A 39 -3.414 -9.196 -2.050 1.00 0.00 C ATOM 615 C GLY A 39 -4.299 -10.076 -2.936 1.00 0.00 C ATOM 616 O GLY A 39 -5.481 -10.223 -2.697 1.00 0.00 O ATOM 0 H GLY A 39 -2.474 -7.338 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.404 -9.603 -2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.795 -9.196 -1.029 1.00 0.00 H new ATOM 620 N ASP A 40 -3.737 -10.665 -3.954 1.00 0.00 N ATOM 621 CA ASP A 40 -4.545 -11.536 -4.851 1.00 0.00 C ATOM 622 C ASP A 40 -3.651 -12.079 -5.967 1.00 0.00 C ATOM 623 O ASP A 40 -3.866 -11.819 -7.134 1.00 0.00 O ATOM 624 CB ASP A 40 -5.687 -10.721 -5.458 1.00 0.00 C ATOM 625 CG ASP A 40 -6.986 -11.024 -4.710 1.00 0.00 C ATOM 626 OD1 ASP A 40 -6.967 -11.899 -3.859 1.00 0.00 O ATOM 627 OD2 ASP A 40 -7.979 -10.377 -5.000 1.00 0.00 O ATOM 0 H ASP A 40 -2.752 -10.581 -4.204 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.959 -12.367 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.460 -9.657 -5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.799 -10.963 -6.515 1.00 0.00 H new ATOM 632 N SER A 41 -2.647 -12.833 -5.613 1.00 0.00 N ATOM 633 CA SER A 41 -1.732 -13.397 -6.643 1.00 0.00 C ATOM 634 C SER A 41 -0.971 -12.262 -7.327 1.00 0.00 C ATOM 635 O SER A 41 -0.963 -12.147 -8.536 1.00 0.00 O ATOM 636 CB SER A 41 -2.552 -14.161 -7.680 1.00 0.00 C ATOM 637 OG SER A 41 -1.753 -15.192 -8.245 1.00 0.00 O ATOM 0 H SER A 41 -2.421 -13.083 -4.650 1.00 0.00 H new ATOM 0 HA SER A 41 -1.020 -14.073 -6.170 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.441 -14.588 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.895 -13.482 -8.461 1.00 0.00 H new ATOM 0 HG SER A 41 -2.277 -15.685 -8.910 1.00 0.00 H new ATOM 643 N GLY A 42 -0.333 -11.417 -6.563 1.00 0.00 N ATOM 644 CA GLY A 42 0.423 -10.288 -7.172 1.00 0.00 C ATOM 645 C GLY A 42 -0.561 -9.215 -7.639 1.00 0.00 C ATOM 646 O GLY A 42 -0.179 -8.227 -8.233 1.00 0.00 O ATOM 0 H GLY A 42 -0.303 -11.461 -5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.119 -9.868 -6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.017 -10.645 -8.014 1.00 0.00 H new ATOM 650 N ALA A 43 -1.827 -9.405 -7.377 1.00 0.00 N ATOM 651 CA ALA A 43 -2.839 -8.403 -7.806 1.00 0.00 C ATOM 652 C ALA A 43 -2.317 -6.993 -7.539 1.00 0.00 C ATOM 653 O ALA A 43 -1.618 -6.750 -6.579 1.00 0.00 O ATOM 654 CB ALA A 43 -4.135 -8.614 -7.020 1.00 0.00 C ATOM 0 H ALA A 43 -2.202 -10.214 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.030 -8.525 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.876 -7.879 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.516 -9.617 -7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.938 -8.496 -5.955 1.00 0.00 H new ATOM 660 N ALA A 44 -2.669 -6.061 -8.375 1.00 0.00 N ATOM 661 CA ALA A 44 -2.216 -4.658 -8.167 1.00 0.00 C ATOM 662 C ALA A 44 -3.450 -3.784 -7.985 1.00 0.00 C ATOM 663 O ALA A 44 -4.488 -4.052 -8.556 1.00 0.00 O ATOM 664 CB ALA A 44 -1.426 -4.177 -9.383 1.00 0.00 C ATOM 0 H ALA A 44 -3.254 -6.209 -9.198 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.573 -4.600 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.099 -3.150 -9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.555 -4.817 -9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.059 -4.221 -10.269 1.00 0.00 H new ATOM 670 N LEU A 45 -3.371 -2.743 -7.204 1.00 0.00 N ATOM 671 CA LEU A 45 -4.596 -1.903 -7.039 1.00 0.00 C ATOM 672 C LEU A 45 -4.384 -0.517 -7.644 1.00 0.00 C ATOM 673 O LEU A 45 -4.866 0.473 -7.144 1.00 0.00 O ATOM 674 CB LEU A 45 -5.009 -1.799 -5.559 1.00 0.00 C ATOM 675 CG LEU A 45 -3.843 -1.409 -4.640 1.00 0.00 C ATOM 676 CD1 LEU A 45 -3.021 -2.637 -4.281 1.00 0.00 C ATOM 677 CD2 LEU A 45 -2.949 -0.356 -5.295 1.00 0.00 C ATOM 0 H LEU A 45 -2.544 -2.442 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.410 -2.390 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.805 -1.061 -5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.418 -2.755 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.264 -0.980 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.198 -2.346 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.653 -3.360 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.622 -3.086 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.133 -0.101 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.540 -0.753 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.536 0.537 -5.509 1.00 0.00 H new ATOM 689 N ALA A 46 -3.675 -0.449 -8.729 1.00 0.00 N ATOM 690 CA ALA A 46 -3.428 0.870 -9.380 1.00 0.00 C ATOM 691 C ALA A 46 -4.688 1.354 -10.113 1.00 0.00 C ATOM 692 O ALA A 46 -5.195 2.426 -9.826 1.00 0.00 O ATOM 693 CB ALA A 46 -2.278 0.734 -10.380 1.00 0.00 C ATOM 0 H ALA A 46 -3.252 -1.250 -9.198 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.169 1.598 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.095 1.697 -10.857 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.378 0.411 -9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.541 -0.003 -11.139 1.00 0.00 H new ATOM 699 N PRO A 47 -5.155 0.556 -11.044 1.00 0.00 N ATOM 700 CA PRO A 47 -6.344 0.891 -11.851 1.00 0.00 C ATOM 701 C PRO A 47 -7.611 0.822 -11.001 1.00 0.00 C ATOM 702 O PRO A 47 -8.344 -0.144 -11.030 1.00 0.00 O ATOM 703 CB PRO A 47 -6.340 -0.163 -12.963 1.00 0.00 C ATOM 704 CG PRO A 47 -5.495 -1.344 -12.437 1.00 0.00 C ATOM 705 CD PRO A 47 -4.562 -0.762 -11.359 1.00 0.00 C ATOM 0 HA PRO A 47 -6.322 1.905 -12.250 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.355 -0.485 -13.197 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.914 0.242 -13.881 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.133 -2.123 -12.020 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.921 -1.800 -13.243 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.522 -1.402 -10.478 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.541 -0.662 -11.727 1.00 0.00 H new ATOM 713 N GLU A 48 -7.853 1.857 -10.244 1.00 0.00 N ATOM 714 CA GLU A 48 -9.050 1.913 -9.363 1.00 0.00 C ATOM 715 C GLU A 48 -8.809 2.982 -8.294 1.00 0.00 C ATOM 716 O GLU A 48 -9.734 3.516 -7.715 1.00 0.00 O ATOM 717 CB GLU A 48 -9.251 0.557 -8.691 1.00 0.00 C ATOM 718 CG GLU A 48 -10.296 0.680 -7.580 1.00 0.00 C ATOM 719 CD GLU A 48 -11.412 -0.338 -7.819 1.00 0.00 C ATOM 720 OE1 GLU A 48 -11.109 -1.519 -7.869 1.00 0.00 O ATOM 721 OE2 GLU A 48 -12.551 0.080 -7.948 1.00 0.00 O ATOM 0 H GLU A 48 -7.257 2.683 -10.200 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.938 2.156 -9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.574 -0.180 -9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.307 0.202 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.833 0.507 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.707 1.689 -7.562 1.00 0.00 H new ATOM 728 N LEU A 49 -7.567 3.299 -8.030 1.00 0.00 N ATOM 729 CA LEU A 49 -7.261 4.326 -7.004 1.00 0.00 C ATOM 730 C LEU A 49 -6.157 5.245 -7.508 1.00 0.00 C ATOM 731 O LEU A 49 -5.810 5.252 -8.672 1.00 0.00 O ATOM 732 CB LEU A 49 -6.779 3.671 -5.704 1.00 0.00 C ATOM 733 CG LEU A 49 -6.468 2.198 -5.927 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.349 1.768 -4.978 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.717 1.384 -5.638 1.00 0.00 C ATOM 0 H LEU A 49 -6.753 2.886 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.173 4.891 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.889 4.185 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.543 3.774 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.151 2.036 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.124 0.713 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.457 2.363 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.667 1.921 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.506 0.326 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.024 1.544 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.518 1.697 -6.307 1.00 0.00 H new ATOM 747 N LEU A 50 -5.588 6.002 -6.618 1.00 0.00 N ATOM 748 CA LEU A 50 -4.475 6.917 -7.010 1.00 0.00 C ATOM 749 C LEU A 50 -3.264 6.579 -6.140 1.00 0.00 C ATOM 750 O LEU A 50 -3.023 7.187 -5.121 1.00 0.00 O ATOM 751 CB LEU A 50 -4.905 8.378 -6.800 1.00 0.00 C ATOM 752 CG LEU A 50 -3.767 9.346 -7.171 1.00 0.00 C ATOM 753 CD1 LEU A 50 -2.881 9.592 -5.949 1.00 0.00 C ATOM 754 CD2 LEU A 50 -2.918 8.765 -8.308 1.00 0.00 C ATOM 0 H LEU A 50 -5.843 6.030 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.222 6.790 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.783 8.593 -7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.192 8.530 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.205 10.287 -7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.076 10.278 -6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.479 10.027 -5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.456 8.647 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.118 9.462 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.486 7.816 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.545 8.604 -9.185 1.00 0.00 H new ATOM 766 N VAL A 51 -2.523 5.577 -6.519 1.00 0.00 N ATOM 767 CA VAL A 51 -1.361 5.154 -5.692 1.00 0.00 C ATOM 768 C VAL A 51 -0.152 6.067 -5.901 1.00 0.00 C ATOM 769 O VAL A 51 0.315 6.271 -7.004 1.00 0.00 O ATOM 770 CB VAL A 51 -0.983 3.722 -6.065 1.00 0.00 C ATOM 771 CG1 VAL A 51 0.113 3.219 -5.126 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.216 2.829 -5.930 1.00 0.00 C ATOM 0 H VAL A 51 -2.673 5.032 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.649 5.217 -4.643 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.618 3.696 -7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.381 2.197 -5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.990 3.859 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.250 3.241 -4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.954 1.805 -6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.575 2.857 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.000 3.187 -6.598 1.00 0.00 H new ATOM 782 N ASP A 52 0.373 6.587 -4.824 1.00 0.00 N ATOM 783 CA ASP A 52 1.576 7.459 -4.901 1.00 0.00 C ATOM 784 C ASP A 52 2.657 6.819 -4.029 1.00 0.00 C ATOM 785 O ASP A 52 2.358 6.062 -3.125 1.00 0.00 O ATOM 786 CB ASP A 52 1.240 8.855 -4.370 1.00 0.00 C ATOM 787 CG ASP A 52 1.104 9.829 -5.542 1.00 0.00 C ATOM 788 OD1 ASP A 52 2.027 9.900 -6.338 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.080 10.487 -5.625 1.00 0.00 O ATOM 0 H ASP A 52 0.012 6.441 -3.881 1.00 0.00 H new ATOM 0 HA ASP A 52 1.918 7.558 -5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.312 8.825 -3.799 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.021 9.195 -3.690 1.00 0.00 H new ATOM 794 N ALA A 53 3.906 7.077 -4.278 1.00 0.00 N ATOM 795 CA ALA A 53 4.935 6.422 -3.429 1.00 0.00 C ATOM 796 C ALA A 53 6.260 7.191 -3.468 1.00 0.00 C ATOM 797 O ALA A 53 6.626 7.783 -4.464 1.00 0.00 O ATOM 798 CB ALA A 53 5.136 4.992 -3.927 1.00 0.00 C ATOM 0 H ALA A 53 4.254 7.695 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 53 4.594 6.415 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.889 4.496 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.195 4.447 -3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.468 5.012 -4.965 1.00 0.00 H new ATOM 804 N LYS A 54 6.974 7.181 -2.372 1.00 0.00 N ATOM 805 CA LYS A 54 8.279 7.905 -2.303 1.00 0.00 C ATOM 806 C LYS A 54 9.421 6.909 -2.051 1.00 0.00 C ATOM 807 O LYS A 54 9.219 5.818 -1.561 1.00 0.00 O ATOM 808 CB LYS A 54 8.234 8.923 -1.161 1.00 0.00 C ATOM 809 CG LYS A 54 8.149 10.337 -1.740 1.00 0.00 C ATOM 810 CD LYS A 54 6.858 11.007 -1.265 1.00 0.00 C ATOM 811 CE LYS A 54 7.115 11.733 0.057 1.00 0.00 C ATOM 812 NZ LYS A 54 5.893 11.663 0.908 1.00 0.00 N ATOM 0 H LYS A 54 6.706 6.698 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 54 8.454 8.417 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.374 8.729 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.123 8.826 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.012 10.923 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.171 10.297 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.504 11.713 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.075 10.260 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.959 11.278 0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.380 12.773 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.067 12.156 1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.099 12.116 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.660 10.668 1.099 1.00 0.00 H new ATOM 826 N SER A 55 10.621 7.281 -2.394 1.00 0.00 N ATOM 827 CA SER A 55 11.783 6.365 -2.198 1.00 0.00 C ATOM 828 C SER A 55 11.841 5.837 -0.756 1.00 0.00 C ATOM 829 O SER A 55 11.969 4.652 -0.531 1.00 0.00 O ATOM 830 CB SER A 55 13.075 7.121 -2.507 1.00 0.00 C ATOM 831 OG SER A 55 13.079 7.503 -3.877 1.00 0.00 O ATOM 0 H SER A 55 10.851 8.186 -2.805 1.00 0.00 H new ATOM 0 HA SER A 55 11.667 5.515 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.155 8.003 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.939 6.492 -2.290 1.00 0.00 H new ATOM 0 HG SER A 55 13.905 7.990 -4.078 1.00 0.00 H new ATOM 837 N SER A 56 11.778 6.696 0.223 1.00 0.00 N ATOM 838 CA SER A 56 11.865 6.212 1.634 1.00 0.00 C ATOM 839 C SER A 56 10.474 6.123 2.261 1.00 0.00 C ATOM 840 O SER A 56 10.324 6.180 3.466 1.00 0.00 O ATOM 841 CB SER A 56 12.725 7.179 2.448 1.00 0.00 C ATOM 842 OG SER A 56 12.865 8.399 1.731 1.00 0.00 O ATOM 0 H SER A 56 11.671 7.704 0.112 1.00 0.00 H new ATOM 0 HA SER A 56 12.314 5.219 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.265 7.365 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.705 6.741 2.638 1.00 0.00 H new ATOM 0 HG SER A 56 13.414 9.022 2.250 1.00 0.00 H new ATOM 848 N THR A 57 9.453 5.983 1.466 1.00 0.00 N ATOM 849 CA THR A 57 8.082 5.896 2.046 1.00 0.00 C ATOM 850 C THR A 57 7.079 5.701 0.918 1.00 0.00 C ATOM 851 O THR A 57 7.446 5.426 -0.200 1.00 0.00 O ATOM 852 CB THR A 57 7.774 7.207 2.780 1.00 0.00 C ATOM 853 OG1 THR A 57 6.612 7.057 3.581 1.00 0.00 O ATOM 854 CG2 THR A 57 7.542 8.312 1.753 1.00 0.00 C ATOM 0 H THR A 57 9.504 5.925 0.449 1.00 0.00 H new ATOM 0 HA THR A 57 8.018 5.059 2.741 1.00 0.00 H new ATOM 0 HB THR A 57 8.616 7.466 3.422 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.768 7.457 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.322 9.247 2.268 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.437 8.435 1.143 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.701 8.044 1.114 1.00 0.00 H new ATOM 862 N THR A 58 5.816 5.858 1.192 1.00 0.00 N ATOM 863 CA THR A 58 4.815 5.707 0.110 1.00 0.00 C ATOM 864 C THR A 58 3.410 5.879 0.673 1.00 0.00 C ATOM 865 O THR A 58 3.163 5.650 1.836 1.00 0.00 O ATOM 866 CB THR A 58 4.929 4.322 -0.530 1.00 0.00 C ATOM 867 OG1 THR A 58 4.153 4.293 -1.715 1.00 0.00 O ATOM 868 CG2 THR A 58 4.407 3.263 0.437 1.00 0.00 C ATOM 0 H THR A 58 5.438 6.083 2.112 1.00 0.00 H new ATOM 0 HA THR A 58 5.006 6.471 -0.644 1.00 0.00 H new ATOM 0 HB THR A 58 5.973 4.115 -0.763 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.286 3.436 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.490 2.278 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.995 3.286 1.354 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.362 3.467 0.671 1.00 0.00 H new ATOM 876 N SER A 59 2.485 6.267 -0.154 1.00 0.00 N ATOM 877 CA SER A 59 1.086 6.440 0.314 1.00 0.00 C ATOM 878 C SER A 59 0.175 6.328 -0.891 1.00 0.00 C ATOM 879 O SER A 59 0.509 6.758 -1.976 1.00 0.00 O ATOM 880 CB SER A 59 0.915 7.806 0.980 1.00 0.00 C ATOM 881 OG SER A 59 1.432 8.815 0.123 1.00 0.00 O ATOM 0 H SER A 59 2.639 6.473 -1.141 1.00 0.00 H new ATOM 0 HA SER A 59 0.837 5.675 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.139 7.993 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.436 7.824 1.937 1.00 0.00 H new ATOM 0 HG SER A 59 1.322 9.692 0.547 1.00 0.00 H new ATOM 887 N ILE A 60 -0.958 5.726 -0.735 1.00 0.00 N ATOM 888 CA ILE A 60 -1.830 5.568 -1.914 1.00 0.00 C ATOM 889 C ILE A 60 -3.225 6.131 -1.628 1.00 0.00 C ATOM 890 O ILE A 60 -3.548 6.492 -0.511 1.00 0.00 O ATOM 891 CB ILE A 60 -1.807 4.090 -2.323 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.700 3.245 -1.415 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.362 3.585 -2.178 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.673 1.792 -1.897 1.00 0.00 C ATOM 0 H ILE A 60 -1.314 5.343 0.141 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.470 6.146 -2.765 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.172 4.002 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.352 3.306 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.721 3.627 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.314 2.534 -2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.294 4.167 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.040 3.696 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.308 1.183 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.041 1.742 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.651 1.415 -1.859 1.00 0.00 H new ATOM 906 N PHE A 61 -4.011 6.316 -2.656 1.00 0.00 N ATOM 907 CA PHE A 61 -5.332 6.985 -2.475 1.00 0.00 C ATOM 908 C PHE A 61 -6.523 6.119 -2.881 1.00 0.00 C ATOM 909 O PHE A 61 -6.442 5.291 -3.762 1.00 0.00 O ATOM 910 CB PHE A 61 -5.314 8.220 -3.363 1.00 0.00 C ATOM 911 CG PHE A 61 -5.003 9.421 -2.532 1.00 0.00 C ATOM 912 CD1 PHE A 61 -3.765 9.514 -1.898 1.00 0.00 C ATOM 913 CD2 PHE A 61 -5.943 10.439 -2.400 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.460 10.630 -1.126 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.649 11.560 -1.629 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.403 11.661 -0.987 1.00 0.00 C ATOM 0 H PHE A 61 -3.795 6.033 -3.612 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.460 7.207 -1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.569 8.105 -4.150 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.279 8.343 -3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.042 8.719 -2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.899 10.359 -2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.501 10.703 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.377 12.351 -1.524 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.171 12.529 -0.388 1.00 0.00 H new ATOM 926 N PHE A 62 -7.650 6.366 -2.252 1.00 0.00 N ATOM 927 CA PHE A 62 -8.898 5.623 -2.581 1.00 0.00 C ATOM 928 C PHE A 62 -10.069 6.613 -2.677 1.00 0.00 C ATOM 929 O PHE A 62 -11.119 6.355 -2.126 1.00 0.00 O ATOM 930 CB PHE A 62 -9.262 4.635 -1.467 1.00 0.00 C ATOM 931 CG PHE A 62 -8.114 3.725 -1.099 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.873 4.250 -0.714 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.309 2.339 -1.120 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.833 3.388 -0.355 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.267 1.479 -0.762 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.029 2.003 -0.380 1.00 0.00 C ATOM 0 H PHE A 62 -7.753 7.063 -1.514 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.727 5.095 -3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.578 5.190 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.112 4.031 -1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.720 5.319 -0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.266 1.934 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.876 3.792 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.419 0.410 -0.781 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.223 1.339 -0.104 1.00 0.00 H new ATOM 946 N PRO A 63 -9.876 7.707 -3.370 1.00 0.00 N ATOM 947 CA PRO A 63 -10.932 8.723 -3.540 1.00 0.00 C ATOM 948 C PRO A 63 -12.105 8.123 -4.307 1.00 0.00 C ATOM 949 O PRO A 63 -13.191 8.664 -4.347 1.00 0.00 O ATOM 950 CB PRO A 63 -10.234 9.853 -4.301 1.00 0.00 C ATOM 951 CG PRO A 63 -8.998 9.212 -4.960 1.00 0.00 C ATOM 952 CD PRO A 63 -8.619 8.025 -4.061 1.00 0.00 C ATOM 0 HA PRO A 63 -11.357 9.087 -2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.896 10.287 -5.050 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.944 10.659 -3.626 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.222 8.880 -5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.178 9.926 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.256 7.179 -4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.829 8.290 -3.358 1.00 0.00 H new ATOM 960 N SER A 64 -11.891 6.983 -4.886 1.00 0.00 N ATOM 961 CA SER A 64 -12.981 6.296 -5.623 1.00 0.00 C ATOM 962 C SER A 64 -13.113 4.873 -5.070 1.00 0.00 C ATOM 963 O SER A 64 -13.130 3.912 -5.814 1.00 0.00 O ATOM 964 CB SER A 64 -12.639 6.238 -7.113 1.00 0.00 C ATOM 965 OG SER A 64 -11.964 7.432 -7.486 1.00 0.00 O ATOM 0 H SER A 64 -10.998 6.491 -4.881 1.00 0.00 H new ATOM 0 HA SER A 64 -13.919 6.838 -5.498 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.011 5.372 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.548 6.121 -7.703 1.00 0.00 H new ATOM 0 HG SER A 64 -11.742 7.398 -8.440 1.00 0.00 H new ATOM 971 N ALA A 65 -13.188 4.721 -3.767 1.00 0.00 N ATOM 972 CA ALA A 65 -13.298 3.348 -3.195 1.00 0.00 C ATOM 973 C ALA A 65 -14.762 2.946 -3.055 1.00 0.00 C ATOM 974 O ALA A 65 -15.618 3.752 -2.727 1.00 0.00 O ATOM 975 CB ALA A 65 -12.637 3.293 -1.822 1.00 0.00 C ATOM 0 H ALA A 65 -13.178 5.480 -3.086 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.794 2.658 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.725 2.285 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.583 3.557 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.130 3.998 -1.152 1.00 0.00 H new ATOM 981 N LYS A 66 -15.043 1.693 -3.295 1.00 0.00 N ATOM 982 CA LYS A 66 -16.437 1.190 -3.187 1.00 0.00 C ATOM 983 C LYS A 66 -16.428 -0.262 -2.696 1.00 0.00 C ATOM 984 O LYS A 66 -15.391 -0.826 -2.415 1.00 0.00 O ATOM 985 CB LYS A 66 -17.105 1.274 -4.562 1.00 0.00 C ATOM 986 CG LYS A 66 -16.624 0.123 -5.450 1.00 0.00 C ATOM 987 CD LYS A 66 -16.630 0.572 -6.913 1.00 0.00 C ATOM 988 CE LYS A 66 -15.456 -0.072 -7.652 1.00 0.00 C ATOM 989 NZ LYS A 66 -15.928 -0.614 -8.957 1.00 0.00 N ATOM 0 H LYS A 66 -14.355 0.990 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.994 1.798 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.189 1.231 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.870 2.229 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.620 -0.182 -5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.271 -0.745 -5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.570 0.289 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.558 1.658 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.668 0.663 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.027 -0.871 -7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.130 -1.052 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.666 -1.328 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.318 0.159 -9.533 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.581 -0.865 -2.586 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.651 -2.276 -2.107 1.00 0.00 C ATOM 1005 C ARG A 67 -16.542 -3.110 -2.757 1.00 0.00 C ATOM 1006 O ARG A 67 -15.858 -3.867 -2.098 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.014 -2.866 -2.475 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.245 -4.155 -1.684 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.513 -4.844 -2.191 1.00 0.00 C ATOM 1010 NE ARG A 67 -20.143 -6.083 -2.930 1.00 0.00 N ATOM 1011 CZ ARG A 67 -20.144 -7.234 -2.316 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -21.269 -7.752 -1.905 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -19.021 -7.866 -2.113 1.00 0.00 N ATOM 0 H ARG A 67 -18.481 -0.440 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.519 -2.294 -1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.804 -2.147 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.056 -3.071 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.388 -4.820 -1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.340 -3.930 -0.622 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.166 -5.089 -1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -21.069 -4.171 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 67 -19.889 -6.032 -3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -22.147 -7.257 -2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.271 -8.652 -1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.142 -7.460 -2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.022 -8.766 -1.633 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.368 -2.990 -4.044 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.317 -3.785 -4.736 1.00 0.00 C ATOM 1029 C ALA A 68 -13.944 -3.496 -4.121 1.00 0.00 C ATOM 1030 O ALA A 68 -13.150 -4.390 -3.908 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.293 -3.414 -6.219 1.00 0.00 C ATOM 0 H ALA A 68 -16.911 -2.373 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.543 -4.845 -4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.524 -3.995 -6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.264 -3.630 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.074 -2.352 -6.325 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.654 -2.254 -3.843 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.328 -1.908 -3.252 1.00 0.00 C ATOM 1039 C ASP A 69 -12.006 -2.859 -2.096 1.00 0.00 C ATOM 1040 O ASP A 69 -10.860 -3.057 -1.746 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.363 -0.469 -2.734 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.880 0.481 -3.831 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -12.640 0.724 -4.754 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.757 0.948 -3.730 1.00 0.00 O ATOM 0 H ASP A 69 -14.278 -1.463 -3.999 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.558 -2.004 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.376 -0.205 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.731 -0.374 -1.851 1.00 0.00 H new ATOM 1049 N SER A 70 -13.005 -3.446 -1.499 1.00 0.00 N ATOM 1050 CA SER A 70 -12.752 -4.379 -0.364 1.00 0.00 C ATOM 1051 C SER A 70 -11.752 -5.455 -0.797 1.00 0.00 C ATOM 1052 O SER A 70 -12.123 -6.471 -1.351 1.00 0.00 O ATOM 1053 CB SER A 70 -14.066 -5.043 0.049 1.00 0.00 C ATOM 1054 OG SER A 70 -13.783 -6.232 0.774 1.00 0.00 O ATOM 0 H SER A 70 -13.986 -3.321 -1.747 1.00 0.00 H new ATOM 0 HA SER A 70 -12.342 -3.822 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.655 -4.361 0.662 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.663 -5.274 -0.833 1.00 0.00 H new ATOM 0 HG SER A 70 -14.623 -6.660 1.042 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.488 -5.241 -0.550 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.471 -6.256 -0.950 1.00 0.00 C ATOM 1062 C GLY A 71 -8.311 -6.252 0.050 1.00 0.00 C ATOM 1063 O GLY A 71 -8.325 -5.536 1.036 1.00 0.00 O ATOM 0 H GLY A 71 -10.116 -4.410 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.927 -7.245 -0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.100 -6.037 -1.951 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.301 -7.041 -0.200 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.137 -7.079 0.730 1.00 0.00 C ATOM 1069 C ASN A 72 -5.022 -6.213 0.152 1.00 0.00 C ATOM 1070 O ASN A 72 -4.201 -6.671 -0.611 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.641 -8.520 0.876 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.724 -9.368 1.547 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -6.616 -9.657 2.815 1.00 0.00 O flip ATOM 1074 ND2 ASN A 72 -7.676 -9.773 0.911 1.00 0.00 N flip ATOM 0 H ASN A 72 -7.232 -7.660 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.433 -6.703 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.396 -8.932 -0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.727 -8.543 1.469 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.761 -9.547 -0.080 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.391 -10.339 1.368 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.989 -4.961 0.503 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.934 -4.067 -0.041 1.00 0.00 C ATOM 1083 C TYR A 73 -2.578 -4.436 0.557 1.00 0.00 C ATOM 1084 O TYR A 73 -2.133 -3.856 1.528 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.282 -2.617 0.292 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.401 -2.164 -0.616 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.680 -2.719 -0.480 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.159 -1.198 -1.598 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.715 -2.307 -1.327 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.194 -0.787 -2.447 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.473 -1.341 -2.311 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.493 -0.935 -3.147 1.00 0.00 O ATOM 0 H TYR A 73 -5.647 -4.518 1.144 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.879 -4.184 -1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.585 -2.532 1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.408 -1.979 0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.867 -3.465 0.278 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.173 -0.769 -1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.701 -2.735 -1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.006 -0.043 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.960 -0.172 -2.746 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.911 -5.390 -0.031 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.575 -5.795 0.480 1.00 0.00 C ATOM 1104 C LYS A 74 0.499 -5.080 -0.338 1.00 0.00 C ATOM 1105 O LYS A 74 0.474 -5.084 -1.555 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.408 -7.309 0.334 1.00 0.00 C ATOM 1107 CG LYS A 74 0.057 -7.902 1.665 1.00 0.00 C ATOM 1108 CD LYS A 74 0.068 -9.429 1.568 1.00 0.00 C ATOM 1109 CE LYS A 74 -1.148 -9.996 2.302 1.00 0.00 C ATOM 1110 NZ LYS A 74 -1.894 -10.912 1.394 1.00 0.00 N ATOM 0 H LYS A 74 -2.237 -5.908 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.482 -5.526 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.352 -7.762 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.317 -7.532 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.054 -7.535 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.606 -7.583 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.052 -9.738 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.986 -9.825 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.829 -10.533 3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.798 -9.185 2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.721 -11.298 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.210 -10.387 0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.272 -11.692 1.100 1.00 0.00 H new ATOM 1124 N LEU A 75 1.436 -4.454 0.313 1.00 0.00 N ATOM 1125 CA LEU A 75 2.499 -3.733 -0.437 1.00 0.00 C ATOM 1126 C LEU A 75 3.865 -4.313 -0.058 1.00 0.00 C ATOM 1127 O LEU A 75 4.084 -4.724 1.063 1.00 0.00 O ATOM 1128 CB LEU A 75 2.417 -2.240 -0.087 1.00 0.00 C ATOM 1129 CG LEU A 75 3.759 -1.549 -0.324 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.549 -0.286 -1.155 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.368 -1.170 1.025 1.00 0.00 C ATOM 0 H LEU A 75 1.512 -4.410 1.329 1.00 0.00 H new ATOM 0 HA LEU A 75 2.363 -3.852 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.646 -1.763 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.122 -2.123 0.956 1.00 0.00 H new ATOM 0 HG LEU A 75 4.427 -2.224 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.508 0.204 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.106 -0.551 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.883 0.393 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.326 -0.676 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.694 -0.494 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.518 -2.070 1.622 1.00 0.00 H new ATOM 1143 N LYS A 76 4.782 -4.360 -0.986 1.00 0.00 N ATOM 1144 CA LYS A 76 6.127 -4.926 -0.671 1.00 0.00 C ATOM 1145 C LYS A 76 7.220 -4.055 -1.294 1.00 0.00 C ATOM 1146 O LYS A 76 7.336 -3.956 -2.498 1.00 0.00 O ATOM 1147 CB LYS A 76 6.228 -6.344 -1.237 1.00 0.00 C ATOM 1148 CG LYS A 76 4.893 -7.068 -1.047 1.00 0.00 C ATOM 1149 CD LYS A 76 4.902 -8.370 -1.850 1.00 0.00 C ATOM 1150 CE LYS A 76 3.703 -8.393 -2.800 1.00 0.00 C ATOM 1151 NZ LYS A 76 3.608 -9.732 -3.448 1.00 0.00 N ATOM 0 H LYS A 76 4.660 -4.033 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 76 6.259 -4.950 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.486 -6.307 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.025 -6.891 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.729 -7.281 0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.071 -6.431 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.830 -8.454 -2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.862 -9.226 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.786 -8.177 -2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.811 -7.617 -3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.793 -9.748 -4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.479 -9.921 -3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.486 -10.463 -2.718 1.00 0.00 H new ATOM 1165 N VAL A 77 8.030 -3.429 -0.483 1.00 0.00 N ATOM 1166 CA VAL A 77 9.116 -2.571 -1.035 1.00 0.00 C ATOM 1167 C VAL A 77 10.473 -3.240 -0.781 1.00 0.00 C ATOM 1168 O VAL A 77 10.659 -3.928 0.201 1.00 0.00 O ATOM 1169 CB VAL A 77 9.060 -1.187 -0.368 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.602 -0.815 -0.101 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.821 -1.197 0.962 1.00 0.00 C ATOM 0 H VAL A 77 7.986 -3.475 0.535 1.00 0.00 H new ATOM 0 HA VAL A 77 8.984 -2.447 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 77 9.522 -0.460 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.558 0.166 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.055 -0.789 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.152 -1.557 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.769 -0.208 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.372 -1.930 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.864 -1.460 0.783 1.00 0.00 H new ATOM 1181 N LYS A 78 11.420 -3.050 -1.661 1.00 0.00 N ATOM 1182 CA LYS A 78 12.760 -3.683 -1.467 1.00 0.00 C ATOM 1183 C LYS A 78 13.858 -2.724 -1.932 1.00 0.00 C ATOM 1184 O LYS A 78 13.610 -1.570 -2.215 1.00 0.00 O ATOM 1185 CB LYS A 78 12.843 -4.976 -2.282 1.00 0.00 C ATOM 1186 CG LYS A 78 11.964 -4.862 -3.530 1.00 0.00 C ATOM 1187 CD LYS A 78 12.224 -6.061 -4.446 1.00 0.00 C ATOM 1188 CE LYS A 78 11.199 -6.070 -5.582 1.00 0.00 C ATOM 1189 NZ LYS A 78 9.826 -6.169 -5.012 1.00 0.00 N ATOM 0 H LYS A 78 11.325 -2.485 -2.505 1.00 0.00 H new ATOM 0 HA LYS A 78 12.897 -3.908 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.876 -5.169 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.519 -5.821 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.912 -4.829 -3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.181 -3.933 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.233 -6.008 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.159 -6.988 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.292 -5.162 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.388 -6.910 -6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.262 -6.834 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.881 -6.510 -4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.375 -5.232 -5.028 1.00 0.00 H new ATOM 1203 N ASN A 79 15.076 -3.195 -2.011 1.00 0.00 N ATOM 1204 CA ASN A 79 16.187 -2.306 -2.459 1.00 0.00 C ATOM 1205 C ASN A 79 17.499 -3.096 -2.530 1.00 0.00 C ATOM 1206 O ASN A 79 18.147 -3.337 -1.531 1.00 0.00 O ATOM 1207 CB ASN A 79 16.345 -1.150 -1.470 1.00 0.00 C ATOM 1208 CG ASN A 79 17.410 -0.179 -1.984 1.00 0.00 C ATOM 1209 OD1 ASN A 79 17.248 0.392 -3.146 1.00 0.00 O flip ATOM 1210 ND2 ASN A 79 18.400 0.061 -1.322 1.00 0.00 N flip ATOM 0 H ASN A 79 15.347 -4.152 -1.786 1.00 0.00 H new ATOM 0 HA ASN A 79 15.951 -1.915 -3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.394 -0.631 -1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.629 -1.533 -0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.527 -0.385 -0.414 1.00 0.00 H new ATOM 0 HD22 ASN A 79 19.105 0.709 -1.675 1.00 0.00 H new ATOM 1217 N GLU A 80 17.901 -3.483 -3.710 1.00 0.00 N ATOM 1218 CA GLU A 80 19.176 -4.241 -3.867 1.00 0.00 C ATOM 1219 C GLU A 80 19.227 -5.420 -2.889 1.00 0.00 C ATOM 1220 O GLU A 80 18.807 -6.515 -3.206 1.00 0.00 O ATOM 1221 CB GLU A 80 20.351 -3.301 -3.602 1.00 0.00 C ATOM 1222 CG GLU A 80 21.036 -2.953 -4.925 1.00 0.00 C ATOM 1223 CD GLU A 80 22.553 -2.943 -4.728 1.00 0.00 C ATOM 1224 OE1 GLU A 80 23.105 -4.003 -4.483 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.136 -1.876 -4.826 1.00 0.00 O ATOM 0 H GLU A 80 17.397 -3.305 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 80 19.234 -4.633 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.000 -2.393 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.063 -3.774 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.763 -3.680 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.698 -1.978 -5.276 1.00 0.00 H new ATOM 1232 N LEU A 81 19.750 -5.213 -1.709 1.00 0.00 N ATOM 1233 CA LEU A 81 19.839 -6.333 -0.727 1.00 0.00 C ATOM 1234 C LEU A 81 19.023 -5.996 0.520 1.00 0.00 C ATOM 1235 O LEU A 81 19.388 -6.341 1.627 1.00 0.00 O ATOM 1236 CB LEU A 81 21.301 -6.550 -0.333 1.00 0.00 C ATOM 1237 CG LEU A 81 21.761 -7.925 -0.817 1.00 0.00 C ATOM 1238 CD1 LEU A 81 23.241 -7.863 -1.199 1.00 0.00 C ATOM 1239 CD2 LEU A 81 21.567 -8.950 0.303 1.00 0.00 C ATOM 0 H LEU A 81 20.118 -4.319 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 81 19.443 -7.241 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.926 -5.771 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.412 -6.478 0.749 1.00 0.00 H new ATOM 0 HG LEU A 81 21.173 -8.219 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 81 23.569 -8.843 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 81 23.381 -7.132 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.829 -7.569 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 81 21.895 -9.931 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 81 22.155 -8.655 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 81 20.513 -8.995 0.577 1.00 0.00 H new ATOM 1251 N GLY A 82 17.918 -5.330 0.350 1.00 0.00 N ATOM 1252 CA GLY A 82 17.072 -4.974 1.523 1.00 0.00 C ATOM 1253 C GLY A 82 15.611 -5.266 1.185 1.00 0.00 C ATOM 1254 O GLY A 82 15.137 -4.936 0.116 1.00 0.00 O ATOM 0 H GLY A 82 17.562 -5.015 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.379 -5.548 2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.198 -3.921 1.773 1.00 0.00 H new ATOM 1258 N GLU A 83 14.891 -5.891 2.076 1.00 0.00 N ATOM 1259 CA GLU A 83 13.467 -6.203 1.775 1.00 0.00 C ATOM 1260 C GLU A 83 12.578 -5.860 2.972 1.00 0.00 C ATOM 1261 O GLU A 83 12.916 -6.109 4.112 1.00 0.00 O ATOM 1262 CB GLU A 83 13.327 -7.691 1.453 1.00 0.00 C ATOM 1263 CG GLU A 83 13.936 -8.520 2.587 1.00 0.00 C ATOM 1264 CD GLU A 83 14.212 -9.941 2.091 1.00 0.00 C ATOM 1265 OE1 GLU A 83 13.633 -10.320 1.086 1.00 0.00 O ATOM 1266 OE2 GLU A 83 14.998 -10.626 2.724 1.00 0.00 O ATOM 0 H GLU A 83 15.224 -6.196 2.991 1.00 0.00 H new ATOM 0 HA GLU A 83 13.153 -5.606 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.276 -7.948 1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.828 -7.919 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.861 -8.058 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.255 -8.547 3.438 1.00 0.00 H new ATOM 1273 N ASP A 84 11.434 -5.298 2.703 1.00 0.00 N ATOM 1274 CA ASP A 84 10.485 -4.935 3.789 1.00 0.00 C ATOM 1275 C ASP A 84 9.098 -4.769 3.167 1.00 0.00 C ATOM 1276 O ASP A 84 8.973 -4.454 2.000 1.00 0.00 O ATOM 1277 CB ASP A 84 10.926 -3.624 4.441 1.00 0.00 C ATOM 1278 CG ASP A 84 11.108 -2.554 3.366 1.00 0.00 C ATOM 1279 OD1 ASP A 84 11.251 -2.922 2.213 1.00 0.00 O ATOM 1280 OD2 ASP A 84 11.107 -1.386 3.716 1.00 0.00 O ATOM 0 H ASP A 84 11.112 -5.072 1.762 1.00 0.00 H new ATOM 0 HA ASP A 84 10.464 -5.712 4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.182 -3.300 5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.860 -3.772 4.983 1.00 0.00 H new ATOM 1285 N GLU A 85 8.053 -4.989 3.914 1.00 0.00 N ATOM 1286 CA GLU A 85 6.694 -4.850 3.322 1.00 0.00 C ATOM 1287 C GLU A 85 5.674 -4.501 4.405 1.00 0.00 C ATOM 1288 O GLU A 85 5.978 -4.465 5.581 1.00 0.00 O ATOM 1289 CB GLU A 85 6.294 -6.173 2.668 1.00 0.00 C ATOM 1290 CG GLU A 85 7.484 -6.745 1.896 1.00 0.00 C ATOM 1291 CD GLU A 85 7.093 -8.091 1.284 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.068 -8.623 1.678 1.00 0.00 O ATOM 1293 OE2 GLU A 85 7.824 -8.566 0.430 1.00 0.00 O ATOM 0 H GLU A 85 8.079 -5.256 4.898 1.00 0.00 H new ATOM 0 HA GLU A 85 6.712 -4.052 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.967 -6.882 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.452 -6.017 1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.790 -6.052 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.338 -6.870 2.562 1.00 0.00 H new ATOM 1300 N ALA A 86 4.459 -4.251 4.004 1.00 0.00 N ATOM 1301 CA ALA A 86 3.392 -3.909 4.982 1.00 0.00 C ATOM 1302 C ALA A 86 2.057 -4.447 4.460 1.00 0.00 C ATOM 1303 O ALA A 86 1.674 -4.199 3.332 1.00 0.00 O ATOM 1304 CB ALA A 86 3.311 -2.390 5.138 1.00 0.00 C ATOM 0 H ALA A 86 4.158 -4.270 3.030 1.00 0.00 H new ATOM 0 HA ALA A 86 3.616 -4.354 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.529 -2.139 5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.267 -2.010 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.079 -1.937 4.174 1.00 0.00 H new ATOM 1310 N ILE A 87 1.352 -5.190 5.267 1.00 0.00 N ATOM 1311 CA ILE A 87 0.049 -5.752 4.814 1.00 0.00 C ATOM 1312 C ILE A 87 -1.081 -4.789 5.184 1.00 0.00 C ATOM 1313 O ILE A 87 -1.203 -4.366 6.316 1.00 0.00 O ATOM 1314 CB ILE A 87 -0.177 -7.108 5.491 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.653 -7.528 5.336 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.207 -7.014 6.972 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.489 -7.058 6.535 1.00 0.00 C ATOM 0 H ILE A 87 1.622 -5.432 6.220 1.00 0.00 H new ATOM 0 HA ILE A 87 0.061 -5.885 3.732 1.00 0.00 H new ATOM 0 HB ILE A 87 0.449 -7.863 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.060 -7.106 4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.718 -8.612 5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.046 -7.979 7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.258 -6.737 7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.409 -6.259 7.460 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.525 -7.367 6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.095 -7.501 7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.441 -5.972 6.608 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.910 -4.441 4.236 1.00 0.00 N ATOM 1330 CA PHE A 88 -3.032 -3.508 4.535 1.00 0.00 C ATOM 1331 C PHE A 88 -4.352 -4.125 4.063 1.00 0.00 C ATOM 1332 O PHE A 88 -4.718 -4.022 2.909 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.814 -2.180 3.803 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.433 -1.646 4.103 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.190 -0.967 5.303 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.398 -1.824 3.178 1.00 0.00 C ATOM 1337 CE1 PHE A 88 0.089 -0.468 5.578 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.881 -1.325 3.453 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.124 -0.647 4.653 1.00 0.00 C ATOM 0 H PHE A 88 -1.858 -4.763 3.269 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.069 -3.331 5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.932 -2.324 2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.568 -1.456 4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.989 -0.828 6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.586 -2.346 2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.277 0.055 6.504 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.680 -1.463 2.739 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.110 -0.262 4.865 1.00 0.00 H new ATOM 1349 N GLU A 89 -5.079 -4.751 4.946 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.379 -5.354 4.539 1.00 0.00 C ATOM 1351 C GLU A 89 -7.415 -4.238 4.456 1.00 0.00 C ATOM 1352 O GLU A 89 -7.845 -3.707 5.459 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.822 -6.384 5.580 1.00 0.00 C ATOM 1354 CG GLU A 89 -5.725 -7.432 5.769 1.00 0.00 C ATOM 1355 CD GLU A 89 -6.315 -8.829 5.565 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -7.528 -8.948 5.593 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -5.542 -9.756 5.384 1.00 0.00 O ATOM 0 H GLU A 89 -4.831 -4.871 5.928 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.276 -5.851 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.033 -5.889 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.746 -6.865 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.916 -7.260 5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.296 -7.349 6.767 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.806 -3.861 3.272 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.796 -2.759 3.142 1.00 0.00 C ATOM 1366 C VAL A 90 -10.178 -3.331 2.841 1.00 0.00 C ATOM 1367 O VAL A 90 -10.355 -4.109 1.925 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.366 -1.827 2.008 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.320 -0.634 1.937 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.943 -1.328 2.275 1.00 0.00 C ATOM 0 H VAL A 90 -7.485 -4.266 2.393 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.841 -2.202 4.078 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.392 -2.368 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.013 0.030 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.333 -0.989 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.295 -0.091 2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.633 -0.663 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.919 -0.787 3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.263 -2.178 2.326 1.00 0.00 H new ATOM 1380 N ILE A 91 -11.161 -2.944 3.603 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.535 -3.456 3.358 1.00 0.00 C ATOM 1382 C ILE A 91 -13.451 -2.284 3.013 1.00 0.00 C ATOM 1383 O ILE A 91 -13.102 -1.135 3.204 1.00 0.00 O ATOM 1384 CB ILE A 91 -13.060 -4.159 4.609 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -12.319 -5.485 4.800 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.554 -4.430 4.440 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -12.895 -6.222 6.010 1.00 0.00 C ATOM 0 H ILE A 91 -11.072 -2.295 4.385 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.514 -4.167 2.532 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.897 -3.526 5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.417 -6.100 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.255 -5.301 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.936 -4.932 5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -15.082 -3.486 4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.712 -5.066 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -12.367 -7.166 6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -12.774 -5.607 6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -13.954 -6.419 5.846 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.617 -2.558 2.501 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.539 -1.451 2.142 1.00 0.00 C ATOM 1401 C VAL A 92 -16.938 -1.748 2.677 1.00 0.00 C ATOM 1402 O VAL A 92 -17.463 -2.831 2.511 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.578 -1.311 0.624 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.248 0.011 0.246 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.144 -1.330 0.096 1.00 0.00 C ATOM 0 H VAL A 92 -14.969 -3.497 2.317 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.187 -0.519 2.585 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.147 -2.133 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.274 0.108 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.265 0.028 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.682 0.840 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.155 -1.231 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.585 -0.501 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.668 -2.272 0.370 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.546 -0.792 3.324 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.912 -1.019 3.875 1.00 0.00 C ATOM 1417 C GLN A 93 -19.881 0.002 3.278 1.00 0.00 C ATOM 1418 O GLN A 93 -20.906 -0.414 2.764 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.881 -0.864 5.398 1.00 0.00 C ATOM 1420 CG GLN A 93 -17.832 0.179 5.787 1.00 0.00 C ATOM 1421 CD GLN A 93 -17.976 0.519 7.272 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -18.519 -0.351 8.079 1.00 0.00 O flip ATOM 1423 NE2 GLN A 93 -17.590 1.588 7.702 1.00 0.00 N flip ATOM 1424 OXT GLN A 93 -19.582 1.181 3.345 1.00 0.00 O ATOM 0 H GLN A 93 -17.157 0.135 3.495 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.243 -2.025 3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -19.862 -0.561 5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -18.648 -1.820 5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -16.831 -0.204 5.586 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -17.957 1.078 5.183 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -17.166 2.268 7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -17.690 1.805 8.694 1.00 0.00 H new TER 1433 GLN A 93