USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 384 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+ -140:sc= 0.00539 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 38:sc= 0.225 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS :FLIP no HE2:sc= -0.0987 F(o=-1,f=-0.099) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.44) USER MOD Single : A 20 SER OG : rot -113:sc= 0.559 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -139:sc= -11.6! (180deg=-14!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.21 K(o=-1.2,f=-3!) USER MOD Single : A 29 MET CE :methyl 159:sc= -3.04! (180deg=-4.35!) USER MOD Single : A 33 ASN : amide:sc= 0.471 K(o=0.47,f=-2.9!) USER MOD Single : A 34 TYR OH : rot 165:sc= -3.4! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -3.64! C(o=-3.6!,f=-7.6!) USER MOD Single : A 39 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.8!) USER MOD Single : A 44 THR OG1 : rot -22:sc= 0.782 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 49 ASN : amide:sc= -0.359 K(o=-0.36,f=-1.7!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0084 K(o=-0.0084,f=-0.52) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 46:sc= 0.0527 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.154 24.949 -2.494 1.00 0.00 N ATOM 2 CA GLY A 1 22.549 25.751 -3.544 1.00 0.00 C ATOM 3 C GLY A 1 21.047 25.475 -3.648 1.00 0.00 C ATOM 4 O GLY A 1 20.351 25.426 -2.635 1.00 0.00 O ATOM 0 H1 GLY A 1 23.855 25.521 -1.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.417 24.629 -1.834 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.624 24.122 -2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.715 26.809 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.030 25.531 -4.497 1.00 0.00 H new ATOM 8 N SER A 2 20.593 25.304 -4.881 1.00 0.00 N ATOM 9 CA SER A 2 19.186 25.035 -5.129 1.00 0.00 C ATOM 10 C SER A 2 18.745 23.795 -4.350 1.00 0.00 C ATOM 11 O SER A 2 17.814 23.860 -3.547 1.00 0.00 O ATOM 12 CB SER A 2 18.918 24.846 -6.623 1.00 0.00 C ATOM 13 OG SER A 2 17.525 24.764 -6.909 1.00 0.00 O ATOM 0 H SER A 2 21.174 25.346 -5.719 1.00 0.00 H new ATOM 0 HA SER A 2 18.608 25.894 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.354 25.677 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.413 23.938 -6.968 1.00 0.00 H new ATOM 0 HG SER A 2 17.395 24.645 -7.873 1.00 0.00 H new ATOM 18 N SER A 3 19.434 22.694 -4.612 1.00 0.00 N ATOM 19 CA SER A 3 19.125 21.441 -3.945 1.00 0.00 C ATOM 20 C SER A 3 17.711 20.987 -4.314 1.00 0.00 C ATOM 21 O SER A 3 16.754 21.748 -4.175 1.00 0.00 O ATOM 22 CB SER A 3 19.258 21.578 -2.427 1.00 0.00 C ATOM 23 OG SER A 3 20.388 20.869 -1.925 1.00 0.00 O ATOM 0 H SER A 3 20.205 22.644 -5.277 1.00 0.00 H new ATOM 0 HA SER A 3 19.841 20.690 -4.280 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.345 22.632 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.353 21.204 -1.948 1.00 0.00 H new ATOM 0 HG SER A 3 20.440 20.982 -0.953 1.00 0.00 H new ATOM 28 N GLY A 4 17.622 19.748 -4.776 1.00 0.00 N ATOM 29 CA GLY A 4 16.341 19.184 -5.166 1.00 0.00 C ATOM 30 C GLY A 4 15.714 18.400 -4.011 1.00 0.00 C ATOM 31 O GLY A 4 16.259 18.368 -2.909 1.00 0.00 O ATOM 0 H GLY A 4 18.417 19.119 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.667 19.983 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.475 18.528 -6.026 1.00 0.00 H new ATOM 35 N SER A 5 14.577 17.787 -4.305 1.00 0.00 N ATOM 36 CA SER A 5 13.869 17.004 -3.305 1.00 0.00 C ATOM 37 C SER A 5 14.115 15.512 -3.538 1.00 0.00 C ATOM 38 O SER A 5 14.608 15.118 -4.594 1.00 0.00 O ATOM 39 CB SER A 5 12.369 17.305 -3.330 1.00 0.00 C ATOM 40 OG SER A 5 12.044 18.458 -2.559 1.00 0.00 O ATOM 0 H SER A 5 14.128 17.816 -5.221 1.00 0.00 H new ATOM 0 HA SER A 5 14.251 17.279 -2.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.046 17.455 -4.360 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.820 16.445 -2.946 1.00 0.00 H new ATOM 0 HG SER A 5 11.078 18.618 -2.601 1.00 0.00 H new ATOM 45 N SER A 6 13.758 14.722 -2.536 1.00 0.00 N ATOM 46 CA SER A 6 13.933 13.282 -2.619 1.00 0.00 C ATOM 47 C SER A 6 13.258 12.745 -3.882 1.00 0.00 C ATOM 48 O SER A 6 12.036 12.798 -4.007 1.00 0.00 O ATOM 49 CB SER A 6 13.369 12.587 -1.379 1.00 0.00 C ATOM 50 OG SER A 6 12.022 12.971 -1.116 1.00 0.00 O ATOM 0 H SER A 6 13.348 15.052 -1.662 1.00 0.00 H new ATOM 0 HA SER A 6 15.001 13.069 -2.667 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.418 11.507 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.989 12.827 -0.516 1.00 0.00 H new ATOM 0 HG SER A 6 11.539 13.072 -1.963 1.00 0.00 H new ATOM 55 N GLY A 7 14.084 12.240 -4.787 1.00 0.00 N ATOM 56 CA GLY A 7 13.581 11.693 -6.036 1.00 0.00 C ATOM 57 C GLY A 7 13.586 12.753 -7.139 1.00 0.00 C ATOM 58 O GLY A 7 12.650 13.543 -7.250 1.00 0.00 O ATOM 0 H GLY A 7 15.098 12.198 -4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.195 10.845 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.568 11.318 -5.891 1.00 0.00 H new ATOM 62 N PRO A 8 14.679 12.736 -7.948 1.00 0.00 N ATOM 63 CA PRO A 8 14.818 13.685 -9.039 1.00 0.00 C ATOM 64 C PRO A 8 13.904 13.315 -10.209 1.00 0.00 C ATOM 65 O PRO A 8 14.372 12.833 -11.239 1.00 0.00 O ATOM 66 CB PRO A 8 16.293 13.651 -9.405 1.00 0.00 C ATOM 67 CG PRO A 8 16.836 12.355 -8.826 1.00 0.00 C ATOM 68 CD PRO A 8 15.807 11.815 -7.847 1.00 0.00 C ATOM 0 HA PRO A 8 14.513 14.693 -8.759 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.428 13.683 -10.486 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.818 14.513 -8.993 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.024 11.632 -9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.787 12.531 -8.322 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.512 10.798 -8.104 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.204 11.785 -6.832 1.00 0.00 H new ATOM 73 N SER A 9 12.615 13.554 -10.010 1.00 0.00 N ATOM 74 CA SER A 9 11.631 13.251 -11.036 1.00 0.00 C ATOM 75 C SER A 9 10.244 13.708 -10.580 1.00 0.00 C ATOM 76 O SER A 9 9.560 12.991 -9.851 1.00 0.00 O ATOM 77 CB SER A 9 11.618 11.758 -11.362 1.00 0.00 C ATOM 78 OG SER A 9 11.829 11.512 -12.751 1.00 0.00 O ATOM 0 H SER A 9 12.230 13.954 -9.154 1.00 0.00 H new ATOM 0 HA SER A 9 11.904 13.790 -11.943 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.392 11.254 -10.783 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.663 11.329 -11.059 1.00 0.00 H new ATOM 0 HG SER A 9 11.815 10.546 -12.918 1.00 0.00 H new ATOM 83 N HIS A 10 9.870 14.897 -11.028 1.00 0.00 N ATOM 84 CA HIS A 10 8.576 15.457 -10.675 1.00 0.00 C ATOM 85 C HIS A 10 7.644 15.396 -11.887 1.00 0.00 C ATOM 86 O HIS A 10 7.416 16.407 -12.550 1.00 0.00 O ATOM 87 CB HIS A 10 8.731 16.872 -10.116 1.00 0.00 C ATOM 88 CG HIS A 10 9.614 17.769 -10.951 1.00 0.00 C ATOM 89 ND1 HIS A 10 9.377 18.395 -12.139 1.00 0.00 N flip ATOM 90 CD2 HIS A 10 10.905 18.104 -10.582 1.00 0.00 C flip ATOM 91 CE1 HIS A 10 10.465 19.078 -12.477 1.00 0.00 C flip ATOM 92 NE2 HIS A 10 11.414 18.898 -11.513 1.00 0.00 N flip ATOM 0 H HIS A 10 10.440 15.489 -11.632 1.00 0.00 H new ATOM 0 HA HIS A 10 8.122 14.864 -9.881 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.745 17.328 -10.031 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.142 16.811 -9.108 1.00 0.00 H new ATOM 0 HD1 HIS A 10 8.512 18.347 -12.677 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.412 17.774 -9.687 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.580 19.677 -13.368 1.00 0.00 H new ATOM 99 N SER A 11 7.129 14.202 -12.139 1.00 0.00 N ATOM 100 CA SER A 11 6.226 13.997 -13.258 1.00 0.00 C ATOM 101 C SER A 11 5.631 12.589 -13.199 1.00 0.00 C ATOM 102 O SER A 11 6.112 11.678 -13.873 1.00 0.00 O ATOM 103 CB SER A 11 6.944 14.214 -14.592 1.00 0.00 C ATOM 104 OG SER A 11 6.080 14.765 -15.580 1.00 0.00 O ATOM 0 H SER A 11 7.320 13.366 -11.587 1.00 0.00 H new ATOM 0 HA SER A 11 5.421 14.728 -13.186 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.794 14.880 -14.442 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.342 13.264 -14.948 1.00 0.00 H new ATOM 0 HG SER A 11 6.576 14.890 -16.416 1.00 0.00 H new ATOM 109 N LEU A 12 4.592 12.454 -12.387 1.00 0.00 N ATOM 110 CA LEU A 12 3.926 11.171 -12.231 1.00 0.00 C ATOM 111 C LEU A 12 4.971 10.089 -11.949 1.00 0.00 C ATOM 112 O LEU A 12 5.492 9.468 -12.875 1.00 0.00 O ATOM 113 CB LEU A 12 3.046 10.874 -13.446 1.00 0.00 C ATOM 114 CG LEU A 12 1.938 9.839 -13.234 1.00 0.00 C ATOM 115 CD1 LEU A 12 0.863 9.957 -14.317 1.00 0.00 C ATOM 116 CD2 LEU A 12 2.518 8.425 -13.154 1.00 0.00 C ATOM 0 H LEU A 12 4.195 13.211 -11.831 1.00 0.00 H new ATOM 0 HA LEU A 12 3.251 11.193 -11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.587 11.807 -13.774 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.686 10.531 -14.259 1.00 0.00 H new ATOM 0 HG LEU A 12 1.456 10.045 -12.278 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.088 9.211 -14.143 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.422 10.953 -14.284 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.313 9.791 -15.296 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.711 7.709 -13.003 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.040 8.193 -14.082 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.217 8.365 -12.320 1.00 0.00 H new ATOM 127 N GLN A 13 5.246 9.897 -10.668 1.00 0.00 N ATOM 128 CA GLN A 13 6.219 8.901 -10.252 1.00 0.00 C ATOM 129 C GLN A 13 5.517 7.590 -9.893 1.00 0.00 C ATOM 130 O GLN A 13 4.313 7.575 -9.641 1.00 0.00 O ATOM 131 CB GLN A 13 7.061 9.411 -9.081 1.00 0.00 C ATOM 132 CG GLN A 13 8.355 8.607 -8.944 1.00 0.00 C ATOM 133 CD GLN A 13 9.544 9.526 -8.655 1.00 0.00 C ATOM 134 OE1 GLN A 13 9.425 10.549 -8.001 1.00 0.00 O ATOM 135 NE2 GLN A 13 10.693 9.105 -9.177 1.00 0.00 N ATOM 0 H GLN A 13 4.812 10.414 -9.904 1.00 0.00 H new ATOM 0 HA GLN A 13 6.895 8.712 -11.086 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.298 10.464 -9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.486 9.341 -8.158 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.251 7.878 -8.141 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.538 8.047 -9.861 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.722 8.239 -9.714 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.545 9.649 -9.040 1.00 0.00 H new ATOM 142 N ALA A 14 6.299 6.521 -9.880 1.00 0.00 N ATOM 143 CA ALA A 14 5.767 5.208 -9.555 1.00 0.00 C ATOM 144 C ALA A 14 5.017 5.281 -8.223 1.00 0.00 C ATOM 145 O ALA A 14 5.304 6.142 -7.392 1.00 0.00 O ATOM 146 CB ALA A 14 6.906 4.187 -9.528 1.00 0.00 C ATOM 0 H ALA A 14 7.297 6.537 -10.089 1.00 0.00 H new ATOM 0 HA ALA A 14 5.057 4.883 -10.315 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.506 3.203 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.386 4.152 -10.506 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.638 4.478 -8.775 1.00 0.00 H new ATOM 152 N PRO A 15 4.046 4.344 -8.058 1.00 0.00 N ATOM 153 CA PRO A 15 3.252 4.295 -6.842 1.00 0.00 C ATOM 154 C PRO A 15 4.062 3.710 -5.683 1.00 0.00 C ATOM 155 O PRO A 15 4.360 4.409 -4.715 1.00 0.00 O ATOM 156 CB PRO A 15 2.036 3.456 -7.199 1.00 0.00 C ATOM 157 CG PRO A 15 2.416 2.684 -8.452 1.00 0.00 C ATOM 158 CD PRO A 15 3.678 3.310 -9.021 1.00 0.00 C ATOM 0 HA PRO A 15 2.949 5.284 -6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.777 2.778 -6.386 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.165 4.087 -7.378 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.584 1.633 -8.216 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.608 2.722 -9.183 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.472 2.571 -9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.499 3.735 -10.009 1.00 0.00 H new ATOM 163 N GLU A 16 4.395 2.435 -5.820 1.00 0.00 N ATOM 164 CA GLU A 16 5.164 1.749 -4.795 1.00 0.00 C ATOM 165 C GLU A 16 6.308 2.639 -4.304 1.00 0.00 C ATOM 166 O GLU A 16 6.598 2.681 -3.110 1.00 0.00 O ATOM 167 CB GLU A 16 5.695 0.411 -5.312 1.00 0.00 C ATOM 168 CG GLU A 16 6.264 0.557 -6.726 1.00 0.00 C ATOM 169 CD GLU A 16 7.755 0.213 -6.754 1.00 0.00 C ATOM 170 OE1 GLU A 16 8.401 0.404 -5.702 1.00 0.00 O ATOM 171 OE2 GLU A 16 8.215 -0.231 -7.828 1.00 0.00 O ATOM 0 H GLU A 16 4.147 1.859 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 16 4.504 1.541 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.469 0.039 -4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.893 -0.327 -5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.723 -0.098 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.116 1.578 -7.078 1.00 0.00 H new ATOM 176 N VAL A 17 6.927 3.328 -5.252 1.00 0.00 N ATOM 177 CA VAL A 17 8.033 4.216 -4.930 1.00 0.00 C ATOM 178 C VAL A 17 7.516 5.381 -4.085 1.00 0.00 C ATOM 179 O VAL A 17 8.142 5.760 -3.096 1.00 0.00 O ATOM 180 CB VAL A 17 8.728 4.671 -6.215 1.00 0.00 C ATOM 181 CG1 VAL A 17 9.719 5.801 -5.930 1.00 0.00 C ATOM 182 CG2 VAL A 17 9.419 3.497 -6.910 1.00 0.00 C ATOM 0 H VAL A 17 6.684 3.290 -6.242 1.00 0.00 H new ATOM 0 HA VAL A 17 8.784 3.693 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 17 7.965 5.057 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.200 6.106 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.188 6.650 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.476 5.452 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.905 3.848 -7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.166 3.067 -6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.679 2.738 -7.163 1.00 0.00 H new ATOM 192 N ARG A 18 6.380 5.918 -4.504 1.00 0.00 N ATOM 193 CA ARG A 18 5.773 7.033 -3.797 1.00 0.00 C ATOM 194 C ARG A 18 5.248 6.575 -2.435 1.00 0.00 C ATOM 195 O ARG A 18 5.432 7.264 -1.433 1.00 0.00 O ATOM 196 CB ARG A 18 4.619 7.634 -4.603 1.00 0.00 C ATOM 197 CG ARG A 18 4.465 9.127 -4.310 1.00 0.00 C ATOM 198 CD ARG A 18 3.003 9.560 -4.427 1.00 0.00 C ATOM 199 NE ARG A 18 2.917 10.878 -5.095 1.00 0.00 N ATOM 200 CZ ARG A 18 1.768 11.522 -5.342 1.00 0.00 C ATOM 201 NH1 ARG A 18 0.601 10.974 -4.977 1.00 0.00 N ATOM 202 NH2 ARG A 18 1.785 12.715 -5.953 1.00 0.00 N ATOM 0 H ARG A 18 5.863 5.602 -5.325 1.00 0.00 H new ATOM 0 HA ARG A 18 6.541 7.794 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.798 7.485 -5.668 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.692 7.115 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.833 9.344 -3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.075 9.703 -5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.440 8.819 -4.994 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.551 9.615 -3.437 1.00 0.00 H new ATOM 0 HE ARG A 18 3.787 11.324 -5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.587 10.067 -4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.274 11.464 -5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.673 13.133 -6.230 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.910 13.204 -6.141 1.00 0.00 H new ATOM 213 N PHE A 19 4.608 5.415 -2.442 1.00 0.00 N ATOM 214 CA PHE A 19 4.057 4.858 -1.219 1.00 0.00 C ATOM 215 C PHE A 19 4.850 3.629 -0.770 1.00 0.00 C ATOM 216 O PHE A 19 4.270 2.586 -0.469 1.00 0.00 O ATOM 217 CB PHE A 19 2.618 4.436 -1.528 1.00 0.00 C ATOM 218 CG PHE A 19 1.855 5.429 -2.408 1.00 0.00 C ATOM 219 CD1 PHE A 19 1.532 6.657 -1.925 1.00 0.00 C ATOM 220 CD2 PHE A 19 1.501 5.080 -3.674 1.00 0.00 C ATOM 221 CE1 PHE A 19 0.823 7.578 -2.742 1.00 0.00 C ATOM 222 CE2 PHE A 19 0.792 6.000 -4.492 1.00 0.00 C ATOM 223 CZ PHE A 19 0.469 7.230 -4.008 1.00 0.00 C ATOM 0 H PHE A 19 4.459 4.846 -3.275 1.00 0.00 H new ATOM 0 HA PHE A 19 4.102 5.598 -0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.633 3.465 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.078 4.308 -0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.814 6.933 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.759 4.104 -4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.565 8.554 -2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.510 5.723 -5.497 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.069 7.930 -4.630 1.00 0.00 H new ATOM 232 N SER A 20 6.165 3.792 -0.739 1.00 0.00 N ATOM 233 CA SER A 20 7.043 2.709 -0.332 1.00 0.00 C ATOM 234 C SER A 20 7.173 2.684 1.193 1.00 0.00 C ATOM 235 O SER A 20 7.043 1.631 1.814 1.00 0.00 O ATOM 236 CB SER A 20 8.423 2.845 -0.979 1.00 0.00 C ATOM 237 OG SER A 20 8.722 4.197 -1.315 1.00 0.00 O ATOM 0 H SER A 20 6.643 4.658 -0.989 1.00 0.00 H new ATOM 0 HA SER A 20 6.604 1.770 -0.669 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.183 2.464 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.465 2.230 -1.878 1.00 0.00 H new ATOM 0 HG SER A 20 8.763 4.291 -2.290 1.00 0.00 H new ATOM 242 N LYS A 21 7.426 3.859 1.752 1.00 0.00 N ATOM 243 CA LYS A 21 7.575 3.985 3.192 1.00 0.00 C ATOM 244 C LYS A 21 6.397 3.298 3.884 1.00 0.00 C ATOM 245 O LYS A 21 6.532 2.800 5.001 1.00 0.00 O ATOM 246 CB LYS A 21 7.748 5.453 3.585 1.00 0.00 C ATOM 247 CG LYS A 21 9.229 5.831 3.658 1.00 0.00 C ATOM 248 CD LYS A 21 9.424 7.333 3.437 1.00 0.00 C ATOM 249 CE LYS A 21 10.315 7.936 4.525 1.00 0.00 C ATOM 250 NZ LYS A 21 10.921 9.202 4.056 1.00 0.00 N ATOM 0 H LYS A 21 7.531 4.731 1.234 1.00 0.00 H new ATOM 0 HA LYS A 21 8.481 3.480 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.242 6.089 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.275 5.633 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.633 5.548 4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.788 5.274 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.872 7.505 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.455 7.833 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.727 8.119 5.425 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.099 7.229 4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.523 9.598 4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.498 9.018 3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.169 9.881 3.821 1.00 0.00 H new ATOM 260 N GLU A 22 5.266 3.293 3.192 1.00 0.00 N ATOM 261 CA GLU A 22 4.065 2.675 3.727 1.00 0.00 C ATOM 262 C GLU A 22 4.125 1.156 3.550 1.00 0.00 C ATOM 263 O GLU A 22 3.973 0.409 4.515 1.00 0.00 O ATOM 264 CB GLU A 22 2.811 3.254 3.069 1.00 0.00 C ATOM 265 CG GLU A 22 2.616 4.721 3.455 1.00 0.00 C ATOM 266 CD GLU A 22 3.240 5.651 2.411 1.00 0.00 C ATOM 267 OE1 GLU A 22 4.378 5.351 1.992 1.00 0.00 O ATOM 268 OE2 GLU A 22 2.562 6.640 2.055 1.00 0.00 O ATOM 0 H GLU A 22 5.157 3.707 2.266 1.00 0.00 H new ATOM 0 HA GLU A 22 4.011 2.895 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.892 3.167 1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.938 2.676 3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.552 4.937 3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.068 4.907 4.429 1.00 0.00 H new ATOM 273 N MET A 23 4.348 0.745 2.311 1.00 0.00 N ATOM 274 CA MET A 23 4.431 -0.671 1.995 1.00 0.00 C ATOM 275 C MET A 23 5.340 -1.401 2.986 1.00 0.00 C ATOM 276 O MET A 23 5.114 -2.569 3.296 1.00 0.00 O ATOM 277 CB MET A 23 4.976 -0.847 0.577 1.00 0.00 C ATOM 278 CG MET A 23 3.903 -0.526 -0.466 1.00 0.00 C ATOM 279 SD MET A 23 2.515 -1.632 -0.275 1.00 0.00 S ATOM 280 CE MET A 23 2.974 -2.909 -1.434 1.00 0.00 C ATOM 0 H MET A 23 4.474 1.368 1.513 1.00 0.00 H new ATOM 0 HA MET A 23 3.431 -1.099 2.065 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.837 -0.195 0.431 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.325 -1.871 0.442 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.573 0.507 -0.354 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.319 -0.621 -1.469 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.092 -3.232 -1.987 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.716 -2.519 -2.130 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.394 -3.757 -0.893 1.00 0.00 H new ATOM 288 N GLU A 24 6.350 -0.682 3.455 1.00 0.00 N ATOM 289 CA GLU A 24 7.293 -1.247 4.404 1.00 0.00 C ATOM 290 C GLU A 24 6.626 -1.436 5.768 1.00 0.00 C ATOM 291 O GLU A 24 6.741 -2.498 6.377 1.00 0.00 O ATOM 292 CB GLU A 24 8.543 -0.372 4.521 1.00 0.00 C ATOM 293 CG GLU A 24 9.751 -1.052 3.874 1.00 0.00 C ATOM 294 CD GLU A 24 10.745 -1.530 4.936 1.00 0.00 C ATOM 295 OE1 GLU A 24 11.529 -0.676 5.404 1.00 0.00 O ATOM 296 OE2 GLU A 24 10.697 -2.738 5.255 1.00 0.00 O ATOM 0 H GLU A 24 6.535 0.287 3.195 1.00 0.00 H new ATOM 0 HA GLU A 24 7.606 -2.224 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.363 0.591 4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.754 -0.171 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.418 -1.899 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.245 -0.356 3.196 1.00 0.00 H new ATOM 301 N CYS A 25 5.944 -0.389 6.207 1.00 0.00 N ATOM 302 CA CYS A 25 5.259 -0.425 7.487 1.00 0.00 C ATOM 303 C CYS A 25 4.190 -1.518 7.429 1.00 0.00 C ATOM 304 O CYS A 25 3.985 -2.244 8.401 1.00 0.00 O ATOM 305 CB CYS A 25 4.663 0.936 7.850 1.00 0.00 C ATOM 306 SG CYS A 25 4.902 1.270 9.633 1.00 0.00 S ATOM 0 H CYS A 25 5.851 0.490 5.698 1.00 0.00 H new ATOM 0 HA CYS A 25 5.973 -0.657 8.277 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.137 1.719 7.258 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.600 0.953 7.608 1.00 0.00 H new ATOM 0 HG CYS A 25 4.394 2.429 9.929 1.00 0.00 H new ATOM 311 N LEU A 26 3.537 -1.602 6.279 1.00 0.00 N ATOM 312 CA LEU A 26 2.494 -2.594 6.081 1.00 0.00 C ATOM 313 C LEU A 26 3.091 -3.994 6.245 1.00 0.00 C ATOM 314 O LEU A 26 2.693 -4.742 7.138 1.00 0.00 O ATOM 315 CB LEU A 26 1.796 -2.376 4.738 1.00 0.00 C ATOM 316 CG LEU A 26 0.965 -1.098 4.613 1.00 0.00 C ATOM 317 CD1 LEU A 26 0.532 -0.864 3.164 1.00 0.00 C ATOM 318 CD2 LEU A 26 -0.228 -1.123 5.570 1.00 0.00 C ATOM 0 H LEU A 26 3.710 -0.999 5.475 1.00 0.00 H new ATOM 0 HA LEU A 26 1.717 -2.488 6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.553 -2.371 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.145 -3.229 4.547 1.00 0.00 H new ATOM 0 HG LEU A 26 1.592 -0.255 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.057 0.051 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.415 -0.770 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.070 -1.706 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.802 -0.203 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.864 -1.977 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.130 -1.207 6.596 1.00 0.00 H new ATOM 329 N GLN A 27 4.034 -4.306 5.369 1.00 0.00 N ATOM 330 CA GLN A 27 4.689 -5.603 5.405 1.00 0.00 C ATOM 331 C GLN A 27 4.952 -6.024 6.852 1.00 0.00 C ATOM 332 O GLN A 27 4.718 -7.175 7.219 1.00 0.00 O ATOM 333 CB GLN A 27 5.988 -5.584 4.596 1.00 0.00 C ATOM 334 CG GLN A 27 5.937 -6.601 3.454 1.00 0.00 C ATOM 335 CD GLN A 27 6.733 -7.860 3.804 1.00 0.00 C ATOM 336 OE1 GLN A 27 7.483 -7.903 4.766 1.00 0.00 O ATOM 337 NE2 GLN A 27 6.529 -8.878 2.973 1.00 0.00 N ATOM 0 H GLN A 27 4.360 -3.683 4.630 1.00 0.00 H new ATOM 0 HA GLN A 27 4.025 -6.336 4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.154 -4.586 4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.831 -5.808 5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.901 -6.868 3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.339 -6.153 2.545 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.887 -8.774 2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.014 -9.763 3.122 1.00 0.00 H new ATOM 344 N ALA A 28 5.435 -5.070 7.635 1.00 0.00 N ATOM 345 CA ALA A 28 5.731 -5.329 9.034 1.00 0.00 C ATOM 346 C ALA A 28 4.493 -5.919 9.713 1.00 0.00 C ATOM 347 O ALA A 28 4.572 -6.966 10.354 1.00 0.00 O ATOM 348 CB ALA A 28 6.203 -4.037 9.703 1.00 0.00 C ATOM 0 H ALA A 28 5.629 -4.117 7.327 1.00 0.00 H new ATOM 0 HA ALA A 28 6.536 -6.058 9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.425 -4.231 10.752 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.101 -3.675 9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.419 -3.283 9.631 1.00 0.00 H new ATOM 354 N MET A 29 3.378 -5.222 9.548 1.00 0.00 N ATOM 355 CA MET A 29 2.126 -5.664 10.136 1.00 0.00 C ATOM 356 C MET A 29 1.793 -7.094 9.709 1.00 0.00 C ATOM 357 O MET A 29 1.225 -7.862 10.484 1.00 0.00 O ATOM 358 CB MET A 29 0.998 -4.725 9.701 1.00 0.00 C ATOM 359 CG MET A 29 0.990 -3.450 10.546 1.00 0.00 C ATOM 360 SD MET A 29 -0.251 -2.321 9.933 1.00 0.00 S ATOM 361 CE MET A 29 0.794 -1.121 9.126 1.00 0.00 C ATOM 0 H MET A 29 3.316 -4.354 9.015 1.00 0.00 H new ATOM 0 HA MET A 29 2.230 -5.645 11.221 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.120 -4.468 8.649 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.039 -5.234 9.796 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.787 -3.696 11.588 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.971 -2.977 10.515 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.211 -0.567 8.390 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.194 -0.430 9.868 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.617 -1.632 8.626 1.00 0.00 H new ATOM 369 N GLY A 30 2.160 -7.410 8.475 1.00 0.00 N ATOM 370 CA GLY A 30 1.908 -8.736 7.935 1.00 0.00 C ATOM 371 C GLY A 30 1.316 -8.650 6.527 1.00 0.00 C ATOM 372 O GLY A 30 1.210 -9.660 5.833 1.00 0.00 O ATOM 0 H GLY A 30 2.630 -6.771 7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.838 -9.305 7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.223 -9.275 8.589 1.00 0.00 H new ATOM 376 N PHE A 31 0.946 -7.435 6.148 1.00 0.00 N ATOM 377 CA PHE A 31 0.368 -7.205 4.835 1.00 0.00 C ATOM 378 C PHE A 31 1.413 -7.397 3.734 1.00 0.00 C ATOM 379 O PHE A 31 1.918 -6.425 3.175 1.00 0.00 O ATOM 380 CB PHE A 31 -0.121 -5.756 4.809 1.00 0.00 C ATOM 381 CG PHE A 31 -1.311 -5.484 5.733 1.00 0.00 C ATOM 382 CD1 PHE A 31 -2.532 -6.006 5.440 1.00 0.00 C ATOM 383 CD2 PHE A 31 -1.146 -4.722 6.848 1.00 0.00 C ATOM 384 CE1 PHE A 31 -3.636 -5.754 6.298 1.00 0.00 C ATOM 385 CE2 PHE A 31 -2.250 -4.470 7.705 1.00 0.00 C ATOM 386 CZ PHE A 31 -3.472 -4.991 7.412 1.00 0.00 C ATOM 0 H PHE A 31 1.035 -6.600 6.727 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.443 -7.912 4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.703 -5.100 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.400 -5.496 3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.662 -6.612 4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.176 -4.309 7.081 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.606 -6.168 6.066 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.119 -3.864 8.590 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.312 -4.799 8.064 1.00 0.00 H new ATOM 395 N VAL A 32 1.707 -8.659 3.455 1.00 0.00 N ATOM 396 CA VAL A 32 2.682 -8.991 2.431 1.00 0.00 C ATOM 397 C VAL A 32 2.057 -8.783 1.050 1.00 0.00 C ATOM 398 O VAL A 32 2.768 -8.679 0.052 1.00 0.00 O ATOM 399 CB VAL A 32 3.200 -10.415 2.644 1.00 0.00 C ATOM 400 CG1 VAL A 32 3.837 -10.566 4.026 1.00 0.00 C ATOM 401 CG2 VAL A 32 2.083 -11.441 2.440 1.00 0.00 C ATOM 0 H VAL A 32 1.287 -9.463 3.921 1.00 0.00 H new ATOM 0 HA VAL A 32 3.547 -8.331 2.499 1.00 0.00 H new ATOM 0 HB VAL A 32 3.971 -10.606 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.197 -11.587 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.673 -9.873 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.096 -10.346 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.478 -12.445 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.280 -11.251 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.694 -11.359 1.425 1.00 0.00 H new ATOM 411 N ASN A 33 0.733 -8.727 1.038 1.00 0.00 N ATOM 412 CA ASN A 33 0.004 -8.532 -0.204 1.00 0.00 C ATOM 413 C ASN A 33 0.414 -7.197 -0.827 1.00 0.00 C ATOM 414 O ASN A 33 -0.260 -6.185 -0.636 1.00 0.00 O ATOM 415 CB ASN A 33 -1.505 -8.495 0.043 1.00 0.00 C ATOM 416 CG ASN A 33 -1.930 -9.603 1.009 1.00 0.00 C ATOM 417 OD1 ASN A 33 -1.620 -9.587 2.188 1.00 0.00 O ATOM 418 ND2 ASN A 33 -2.656 -10.564 0.444 1.00 0.00 N ATOM 0 H ASN A 33 0.147 -8.813 1.868 1.00 0.00 H new ATOM 0 HA ASN A 33 0.240 -9.364 -0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.787 -7.524 0.451 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.035 -8.609 -0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.988 -11.349 1.005 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.880 -10.516 -0.550 1.00 0.00 H new ATOM 424 N TYR A 34 1.517 -7.235 -1.560 1.00 0.00 N ATOM 425 CA TYR A 34 2.026 -6.040 -2.213 1.00 0.00 C ATOM 426 C TYR A 34 1.054 -5.547 -3.286 1.00 0.00 C ATOM 427 O TYR A 34 0.511 -4.447 -3.179 1.00 0.00 O ATOM 428 CB TYR A 34 3.339 -6.450 -2.881 1.00 0.00 C ATOM 429 CG TYR A 34 4.131 -5.280 -3.466 1.00 0.00 C ATOM 430 CD1 TYR A 34 4.917 -4.499 -2.645 1.00 0.00 C ATOM 431 CD2 TYR A 34 4.061 -5.007 -4.817 1.00 0.00 C ATOM 432 CE1 TYR A 34 5.662 -3.397 -3.196 1.00 0.00 C ATOM 433 CE2 TYR A 34 4.807 -3.905 -5.369 1.00 0.00 C ATOM 434 CZ TYR A 34 5.571 -3.155 -4.531 1.00 0.00 C ATOM 435 OH TYR A 34 6.275 -2.115 -5.051 1.00 0.00 O ATOM 0 H TYR A 34 2.073 -8.075 -1.717 1.00 0.00 H new ATOM 0 HA TYR A 34 2.159 -5.235 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.961 -6.967 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.123 -7.163 -3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.974 -4.714 -1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.447 -5.620 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.279 -2.777 -2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.760 -3.680 -6.424 1.00 0.00 H new ATOM 0 HH TYR A 34 6.311 -2.200 -6.027 1.00 0.00 H new ATOM 444 N ASN A 35 0.863 -6.382 -4.295 1.00 0.00 N ATOM 445 CA ASN A 35 -0.034 -6.045 -5.388 1.00 0.00 C ATOM 446 C ASN A 35 -1.296 -5.389 -4.822 1.00 0.00 C ATOM 447 O ASN A 35 -1.712 -4.330 -5.288 1.00 0.00 O ATOM 448 CB ASN A 35 -0.457 -7.296 -6.160 1.00 0.00 C ATOM 449 CG ASN A 35 0.428 -7.507 -7.390 1.00 0.00 C ATOM 450 OD1 ASN A 35 0.237 -6.906 -8.435 1.00 0.00 O ATOM 451 ND2 ASN A 35 1.405 -8.391 -7.208 1.00 0.00 N ATOM 0 H ASN A 35 1.314 -7.293 -4.380 1.00 0.00 H new ATOM 0 HA ASN A 35 0.493 -5.368 -6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.395 -8.168 -5.509 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.498 -7.202 -6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.051 -8.601 -7.969 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.509 -8.858 -6.307 1.00 0.00 H new ATOM 457 N ALA A 36 -1.869 -6.047 -3.824 1.00 0.00 N ATOM 458 CA ALA A 36 -3.074 -5.541 -3.190 1.00 0.00 C ATOM 459 C ALA A 36 -2.766 -4.203 -2.514 1.00 0.00 C ATOM 460 O ALA A 36 -3.284 -3.165 -2.921 1.00 0.00 O ATOM 461 CB ALA A 36 -3.608 -6.583 -2.204 1.00 0.00 C ATOM 0 H ALA A 36 -1.521 -6.925 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.853 -5.364 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.512 -6.204 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.838 -7.505 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.854 -6.784 -1.443 1.00 0.00 H new ATOM 467 N ASN A 37 -1.926 -4.272 -1.493 1.00 0.00 N ATOM 468 CA ASN A 37 -1.543 -3.079 -0.756 1.00 0.00 C ATOM 469 C ASN A 37 -1.325 -1.927 -1.739 1.00 0.00 C ATOM 470 O ASN A 37 -1.951 -0.876 -1.617 1.00 0.00 O ATOM 471 CB ASN A 37 -0.238 -3.300 0.011 1.00 0.00 C ATOM 472 CG ASN A 37 -0.433 -4.304 1.148 1.00 0.00 C ATOM 473 OD1 ASN A 37 -1.493 -4.409 1.744 1.00 0.00 O ATOM 474 ND2 ASN A 37 0.645 -5.035 1.416 1.00 0.00 N ATOM 0 H ASN A 37 -1.499 -5.136 -1.158 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.341 -2.848 -0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.532 -3.662 -0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.115 -2.351 0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.616 -5.734 2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.501 -4.897 0.879 1.00 0.00 H new ATOM 480 N LEU A 38 -0.435 -2.164 -2.691 1.00 0.00 N ATOM 481 CA LEU A 38 -0.126 -1.159 -3.694 1.00 0.00 C ATOM 482 C LEU A 38 -1.418 -0.461 -4.124 1.00 0.00 C ATOM 483 O LEU A 38 -1.609 0.724 -3.850 1.00 0.00 O ATOM 484 CB LEU A 38 0.652 -1.782 -4.855 1.00 0.00 C ATOM 485 CG LEU A 38 1.885 -1.009 -5.326 1.00 0.00 C ATOM 486 CD1 LEU A 38 2.523 -1.682 -6.543 1.00 0.00 C ATOM 487 CD2 LEU A 38 1.543 0.458 -5.597 1.00 0.00 C ATOM 0 H LEU A 38 0.082 -3.038 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 38 0.528 -0.393 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.966 -2.783 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.026 -1.896 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 38 2.624 -1.025 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.397 -1.112 -6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.826 -2.696 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.801 -1.718 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.437 0.984 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.778 0.516 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.170 0.920 -4.683 1.00 0.00 H new ATOM 498 N GLN A 39 -2.272 -1.223 -4.791 1.00 0.00 N ATOM 499 CA GLN A 39 -3.539 -0.692 -5.262 1.00 0.00 C ATOM 500 C GLN A 39 -4.192 0.165 -4.175 1.00 0.00 C ATOM 501 O GLN A 39 -4.541 1.320 -4.416 1.00 0.00 O ATOM 502 CB GLN A 39 -4.475 -1.819 -5.707 1.00 0.00 C ATOM 503 CG GLN A 39 -4.422 -2.007 -7.224 1.00 0.00 C ATOM 504 CD GLN A 39 -5.824 -2.220 -7.799 1.00 0.00 C ATOM 505 OE1 GLN A 39 -6.831 -1.966 -7.158 1.00 0.00 O ATOM 506 NE2 GLN A 39 -5.832 -2.701 -9.039 1.00 0.00 N ATOM 0 H GLN A 39 -2.111 -2.205 -5.016 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.346 -0.060 -6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.193 -2.748 -5.212 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.496 -1.591 -5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.964 -1.133 -7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.792 -2.863 -7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.952 -2.891 -9.518 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.718 -2.879 -9.511 1.00 0.00 H new ATOM 513 N ALA A 40 -4.338 -0.433 -3.001 1.00 0.00 N ATOM 514 CA ALA A 40 -4.942 0.260 -1.878 1.00 0.00 C ATOM 515 C ALA A 40 -4.295 1.639 -1.727 1.00 0.00 C ATOM 516 O ALA A 40 -4.967 2.661 -1.854 1.00 0.00 O ATOM 517 CB ALA A 40 -4.800 -0.592 -0.615 1.00 0.00 C ATOM 0 H ALA A 40 -4.048 -1.391 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.007 0.413 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.254 -0.071 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.301 -1.548 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.744 -0.764 -0.409 1.00 0.00 H new ATOM 523 N LEU A 41 -2.998 1.622 -1.457 1.00 0.00 N ATOM 524 CA LEU A 41 -2.253 2.857 -1.288 1.00 0.00 C ATOM 525 C LEU A 41 -2.698 3.866 -2.348 1.00 0.00 C ATOM 526 O LEU A 41 -3.223 4.928 -2.017 1.00 0.00 O ATOM 527 CB LEU A 41 -0.747 2.580 -1.296 1.00 0.00 C ATOM 528 CG LEU A 41 -0.172 1.961 -0.021 1.00 0.00 C ATOM 529 CD1 LEU A 41 1.216 1.370 -0.276 1.00 0.00 C ATOM 530 CD2 LEU A 41 -0.161 2.977 1.125 1.00 0.00 C ATOM 0 H LEU A 41 -2.444 0.772 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.467 3.301 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.524 1.916 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.226 3.518 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.821 1.139 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.602 0.936 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.147 0.595 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.889 2.157 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.252 2.512 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.452 3.834 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.179 3.309 1.326 1.00 0.00 H new ATOM 541 N ILE A 42 -2.472 3.499 -3.601 1.00 0.00 N ATOM 542 CA ILE A 42 -2.843 4.358 -4.712 1.00 0.00 C ATOM 543 C ILE A 42 -4.292 4.815 -4.534 1.00 0.00 C ATOM 544 O ILE A 42 -4.624 5.965 -4.821 1.00 0.00 O ATOM 545 CB ILE A 42 -2.579 3.656 -6.045 1.00 0.00 C ATOM 546 CG1 ILE A 42 -1.079 3.456 -6.271 1.00 0.00 C ATOM 547 CG2 ILE A 42 -3.238 4.409 -7.202 1.00 0.00 C ATOM 548 CD1 ILE A 42 -0.823 2.457 -7.401 1.00 0.00 C ATOM 0 H ILE A 42 -2.036 2.617 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.224 5.255 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.034 2.666 -6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.614 4.411 -6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.614 3.098 -5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.035 3.888 -8.138 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.315 4.456 -7.039 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.835 5.420 -7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.251 2.333 -7.541 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.269 1.496 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.269 2.829 -8.324 1.00 0.00 H new ATOM 559 N ALA A 43 -5.118 3.892 -4.062 1.00 0.00 N ATOM 560 CA ALA A 43 -6.524 4.186 -3.844 1.00 0.00 C ATOM 561 C ALA A 43 -6.652 5.293 -2.794 1.00 0.00 C ATOM 562 O ALA A 43 -7.588 6.088 -2.837 1.00 0.00 O ATOM 563 CB ALA A 43 -7.255 2.906 -3.434 1.00 0.00 C ATOM 0 H ALA A 43 -4.840 2.940 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.988 4.547 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.310 3.126 -3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.158 2.162 -4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.819 2.517 -2.514 1.00 0.00 H new ATOM 569 N THR A 44 -5.696 5.306 -1.876 1.00 0.00 N ATOM 570 CA THR A 44 -5.690 6.302 -0.817 1.00 0.00 C ATOM 571 C THR A 44 -4.543 7.293 -1.024 1.00 0.00 C ATOM 572 O THR A 44 -4.140 7.984 -0.089 1.00 0.00 O ATOM 573 CB THR A 44 -5.624 5.566 0.523 1.00 0.00 C ATOM 574 OG1 THR A 44 -4.293 5.057 0.574 1.00 0.00 O ATOM 575 CG2 THR A 44 -6.503 4.314 0.548 1.00 0.00 C ATOM 0 H THR A 44 -4.921 4.644 -1.844 1.00 0.00 H new ATOM 0 HA THR A 44 -6.601 6.901 -0.831 1.00 0.00 H new ATOM 0 HB THR A 44 -5.931 6.240 1.323 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.930 4.998 -0.335 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.419 3.830 1.521 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.541 4.595 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.176 3.624 -0.230 1.00 0.00 H new ATOM 583 N ASP A 45 -4.051 7.332 -2.253 1.00 0.00 N ATOM 584 CA ASP A 45 -2.959 8.226 -2.594 1.00 0.00 C ATOM 585 C ASP A 45 -1.927 8.220 -1.464 1.00 0.00 C ATOM 586 O ASP A 45 -1.240 9.214 -1.240 1.00 0.00 O ATOM 587 CB ASP A 45 -3.457 9.662 -2.770 1.00 0.00 C ATOM 588 CG ASP A 45 -4.646 9.822 -3.719 1.00 0.00 C ATOM 589 OD1 ASP A 45 -4.924 8.846 -4.451 1.00 0.00 O ATOM 590 OD2 ASP A 45 -5.252 10.914 -3.692 1.00 0.00 O ATOM 0 H ASP A 45 -4.389 6.758 -3.025 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.520 7.879 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.736 10.056 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.633 10.274 -3.137 1.00 0.00 H new ATOM 594 N GLY A 46 -1.852 7.087 -0.781 1.00 0.00 N ATOM 595 CA GLY A 46 -0.917 6.937 0.320 1.00 0.00 C ATOM 596 C GLY A 46 -1.593 7.241 1.658 1.00 0.00 C ATOM 597 O GLY A 46 -1.637 8.393 2.088 1.00 0.00 O ATOM 0 H GLY A 46 -2.424 6.264 -0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.522 5.921 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.069 7.607 0.176 1.00 0.00 H new ATOM 601 N ASP A 47 -2.101 6.189 2.281 1.00 0.00 N ATOM 602 CA ASP A 47 -2.773 6.329 3.562 1.00 0.00 C ATOM 603 C ASP A 47 -2.832 4.965 4.254 1.00 0.00 C ATOM 604 O ASP A 47 -3.823 4.246 4.132 1.00 0.00 O ATOM 605 CB ASP A 47 -4.207 6.829 3.381 1.00 0.00 C ATOM 606 CG ASP A 47 -4.773 7.612 4.566 1.00 0.00 C ATOM 607 OD1 ASP A 47 -4.033 7.745 5.565 1.00 0.00 O ATOM 608 OD2 ASP A 47 -5.934 8.061 4.448 1.00 0.00 O ATOM 0 H ASP A 47 -2.061 5.235 1.923 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.213 7.049 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.246 7.462 2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.853 5.972 3.189 1.00 0.00 H new ATOM 612 N THR A 48 -1.759 4.651 4.964 1.00 0.00 N ATOM 613 CA THR A 48 -1.677 3.386 5.676 1.00 0.00 C ATOM 614 C THR A 48 -2.973 3.121 6.444 1.00 0.00 C ATOM 615 O THR A 48 -3.527 2.025 6.375 1.00 0.00 O ATOM 616 CB THR A 48 -0.438 3.427 6.571 1.00 0.00 C ATOM 617 OG1 THR A 48 -0.430 4.753 7.094 1.00 0.00 O ATOM 618 CG2 THR A 48 0.865 3.334 5.773 1.00 0.00 C ATOM 0 H THR A 48 -0.939 5.250 5.062 1.00 0.00 H new ATOM 0 HA THR A 48 -1.569 2.550 4.985 1.00 0.00 H new ATOM 0 HB THR A 48 -0.483 2.609 7.289 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.342 4.866 7.688 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.713 3.368 6.456 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.885 2.397 5.216 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.926 4.171 5.077 1.00 0.00 H new ATOM 626 N ASN A 49 -3.419 4.144 7.159 1.00 0.00 N ATOM 627 CA ASN A 49 -4.639 4.035 7.939 1.00 0.00 C ATOM 628 C ASN A 49 -5.759 3.484 7.054 1.00 0.00 C ATOM 629 O ASN A 49 -6.278 2.399 7.307 1.00 0.00 O ATOM 630 CB ASN A 49 -5.081 5.402 8.464 1.00 0.00 C ATOM 631 CG ASN A 49 -4.813 5.527 9.965 1.00 0.00 C ATOM 632 OD1 ASN A 49 -4.793 4.555 10.702 1.00 0.00 O ATOM 633 ND2 ASN A 49 -4.608 6.775 10.376 1.00 0.00 N ATOM 0 H ASN A 49 -2.957 5.052 7.214 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.442 3.371 8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.550 6.190 7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.144 5.544 8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.420 6.963 11.361 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.638 7.544 9.707 1.00 0.00 H new ATOM 639 N ALA A 50 -6.097 4.258 6.032 1.00 0.00 N ATOM 640 CA ALA A 50 -7.146 3.861 5.108 1.00 0.00 C ATOM 641 C ALA A 50 -6.810 2.488 4.523 1.00 0.00 C ATOM 642 O ALA A 50 -7.669 1.609 4.461 1.00 0.00 O ATOM 643 CB ALA A 50 -7.306 4.932 4.028 1.00 0.00 C ATOM 0 H ALA A 50 -5.663 5.157 5.824 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.102 3.774 5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.093 4.635 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.572 5.881 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.367 5.044 3.485 1.00 0.00 H new ATOM 649 N ALA A 51 -5.560 2.345 4.109 1.00 0.00 N ATOM 650 CA ALA A 51 -5.101 1.094 3.530 1.00 0.00 C ATOM 651 C ALA A 51 -5.438 -0.056 4.481 1.00 0.00 C ATOM 652 O ALA A 51 -6.108 -1.011 4.092 1.00 0.00 O ATOM 653 CB ALA A 51 -3.602 1.188 3.236 1.00 0.00 C ATOM 0 H ALA A 51 -4.850 3.075 4.163 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.607 0.899 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.257 0.250 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.419 2.002 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.061 1.380 4.163 1.00 0.00 H new ATOM 659 N ILE A 52 -4.959 0.075 5.710 1.00 0.00 N ATOM 660 CA ILE A 52 -5.200 -0.942 6.719 1.00 0.00 C ATOM 661 C ILE A 52 -6.704 -1.196 6.830 1.00 0.00 C ATOM 662 O ILE A 52 -7.160 -2.328 6.676 1.00 0.00 O ATOM 663 CB ILE A 52 -4.543 -0.549 8.043 1.00 0.00 C ATOM 664 CG1 ILE A 52 -3.023 -0.453 7.895 1.00 0.00 C ATOM 665 CG2 ILE A 52 -4.949 -1.509 9.164 1.00 0.00 C ATOM 666 CD1 ILE A 52 -2.476 0.769 8.634 1.00 0.00 C ATOM 0 H ILE A 52 -4.405 0.870 6.029 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.737 -1.885 6.428 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.903 0.442 8.320 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.558 -1.358 8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.760 -0.391 6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.468 -1.207 10.094 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.031 -1.484 9.290 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.637 -2.521 8.907 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.394 0.813 8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.925 1.674 8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.719 0.692 9.694 1.00 0.00 H new ATOM 677 N TYR A 53 -7.435 -0.123 7.098 1.00 0.00 N ATOM 678 CA TYR A 53 -8.879 -0.216 7.232 1.00 0.00 C ATOM 679 C TYR A 53 -9.489 -0.997 6.067 1.00 0.00 C ATOM 680 O TYR A 53 -10.250 -1.940 6.278 1.00 0.00 O ATOM 681 CB TYR A 53 -9.399 1.223 7.194 1.00 0.00 C ATOM 682 CG TYR A 53 -10.851 1.372 7.654 1.00 0.00 C ATOM 683 CD1 TYR A 53 -11.238 0.886 8.887 1.00 0.00 C ATOM 684 CD2 TYR A 53 -11.773 1.992 6.835 1.00 0.00 C ATOM 685 CE1 TYR A 53 -12.604 1.028 9.319 1.00 0.00 C ATOM 686 CE2 TYR A 53 -13.140 2.132 7.268 1.00 0.00 C ATOM 687 CZ TYR A 53 -13.487 1.643 8.488 1.00 0.00 C ATOM 688 OH TYR A 53 -14.778 1.776 8.897 1.00 0.00 O ATOM 0 H TYR A 53 -7.054 0.815 7.226 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.146 -0.733 8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.763 1.845 7.824 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.310 1.604 6.177 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.517 0.400 9.527 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.470 2.372 5.870 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.920 0.654 10.282 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.872 2.614 6.638 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.295 2.235 8.203 1.00 0.00 H new ATOM 697 N LYS A 54 -9.131 -0.576 4.862 1.00 0.00 N ATOM 698 CA LYS A 54 -9.634 -1.225 3.663 1.00 0.00 C ATOM 699 C LYS A 54 -9.205 -2.693 3.665 1.00 0.00 C ATOM 700 O LYS A 54 -10.048 -3.589 3.678 1.00 0.00 O ATOM 701 CB LYS A 54 -9.195 -0.458 2.415 1.00 0.00 C ATOM 702 CG LYS A 54 -10.188 0.656 2.077 1.00 0.00 C ATOM 703 CD LYS A 54 -10.013 1.128 0.632 1.00 0.00 C ATOM 704 CE LYS A 54 -10.427 2.593 0.481 1.00 0.00 C ATOM 705 NZ LYS A 54 -11.822 2.690 -0.004 1.00 0.00 N ATOM 0 H LYS A 54 -8.499 0.206 4.691 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.724 -1.211 3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.205 -0.031 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.113 -1.144 1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.207 0.297 2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.044 1.495 2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.973 1.007 0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.613 0.506 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.332 3.104 1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.757 3.096 -0.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.087 3.691 -0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.902 2.220 -0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.459 2.228 0.676 1.00 0.00 H new ATOM 715 N LEU A 55 -7.896 -2.895 3.652 1.00 0.00 N ATOM 716 CA LEU A 55 -7.345 -4.239 3.652 1.00 0.00 C ATOM 717 C LEU A 55 -8.094 -5.093 4.678 1.00 0.00 C ATOM 718 O LEU A 55 -8.661 -6.129 4.334 1.00 0.00 O ATOM 719 CB LEU A 55 -5.832 -4.198 3.874 1.00 0.00 C ATOM 720 CG LEU A 55 -5.015 -3.488 2.792 1.00 0.00 C ATOM 721 CD1 LEU A 55 -3.637 -3.087 3.322 1.00 0.00 C ATOM 722 CD2 LEU A 55 -4.917 -4.344 1.528 1.00 0.00 C ATOM 0 H LEU A 55 -7.200 -2.149 3.641 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.489 -4.709 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.638 -3.708 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.470 -5.222 3.962 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.535 -2.570 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.076 -2.584 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.755 -2.412 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.096 -3.978 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.331 -3.816 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.432 -5.291 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.917 -4.536 1.140 1.00 0.00 H new ATOM 733 N LYS A 56 -8.073 -4.625 5.918 1.00 0.00 N ATOM 734 CA LYS A 56 -8.743 -5.332 6.995 1.00 0.00 C ATOM 735 C LYS A 56 -10.139 -5.755 6.533 1.00 0.00 C ATOM 736 O LYS A 56 -10.452 -6.944 6.498 1.00 0.00 O ATOM 737 CB LYS A 56 -8.748 -4.486 8.269 1.00 0.00 C ATOM 738 CG LYS A 56 -7.353 -4.427 8.895 1.00 0.00 C ATOM 739 CD LYS A 56 -7.356 -5.034 10.300 1.00 0.00 C ATOM 740 CE LYS A 56 -7.400 -3.941 11.370 1.00 0.00 C ATOM 741 NZ LYS A 56 -7.266 -4.531 12.720 1.00 0.00 N ATOM 0 H LYS A 56 -7.602 -3.765 6.200 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.201 -6.244 7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.090 -3.477 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.454 -4.906 8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.645 -4.964 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.016 -3.392 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.217 -5.693 10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.465 -5.646 10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.597 -3.224 11.199 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.339 -3.392 11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.298 -3.775 13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.047 -5.198 12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.359 -5.035 12.790 1.00 0.00 H new ATOM 751 N SER A 57 -10.940 -4.758 6.187 1.00 0.00 N ATOM 752 CA SER A 57 -12.296 -5.011 5.728 1.00 0.00 C ATOM 753 C SER A 57 -12.294 -6.134 4.690 1.00 0.00 C ATOM 754 O SER A 57 -12.952 -7.157 4.874 1.00 0.00 O ATOM 755 CB SER A 57 -12.924 -3.746 5.141 1.00 0.00 C ATOM 756 OG SER A 57 -13.898 -3.179 6.014 1.00 0.00 O ATOM 0 H SER A 57 -10.676 -3.773 6.215 1.00 0.00 H new ATOM 0 HA SER A 57 -12.896 -5.317 6.585 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.143 -3.012 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.389 -3.983 4.184 1.00 0.00 H new ATOM 0 HG SER A 57 -14.274 -2.372 5.604 1.00 0.00 H new ATOM 761 N SER A 58 -11.547 -5.906 3.619 1.00 0.00 N ATOM 762 CA SER A 58 -11.451 -6.885 2.550 1.00 0.00 C ATOM 763 C SER A 58 -10.976 -8.228 3.111 1.00 0.00 C ATOM 764 O SER A 58 -9.798 -8.394 3.419 1.00 0.00 O ATOM 765 CB SER A 58 -10.505 -6.408 1.447 1.00 0.00 C ATOM 766 OG SER A 58 -10.784 -5.069 1.048 1.00 0.00 O ATOM 0 H SER A 58 -11.002 -5.057 3.469 1.00 0.00 H new ATOM 0 HA SER A 58 -12.442 -7.010 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.475 -6.475 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.591 -7.069 0.584 1.00 0.00 H new ATOM 0 HG SER A 58 -10.158 -4.800 0.344 1.00 0.00 H new ATOM 771 N GLN A 59 -11.920 -9.151 3.228 1.00 0.00 N ATOM 772 CA GLN A 59 -11.614 -10.473 3.748 1.00 0.00 C ATOM 773 C GLN A 59 -12.787 -11.424 3.505 1.00 0.00 C ATOM 774 O GLN A 59 -13.629 -11.613 4.381 1.00 0.00 O ATOM 775 CB GLN A 59 -11.258 -10.409 5.234 1.00 0.00 C ATOM 776 CG GLN A 59 -10.653 -11.732 5.711 1.00 0.00 C ATOM 777 CD GLN A 59 -9.723 -11.511 6.905 1.00 0.00 C ATOM 778 OE1 GLN A 59 -9.817 -10.531 7.626 1.00 0.00 O ATOM 779 NE2 GLN A 59 -8.822 -12.474 7.074 1.00 0.00 N ATOM 0 H GLN A 59 -12.897 -9.009 2.972 1.00 0.00 H new ATOM 0 HA GLN A 59 -10.744 -10.858 3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.551 -9.598 5.407 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.151 -10.183 5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.450 -12.421 5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.099 -12.198 4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.798 -13.268 6.434 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.155 -12.419 7.844 1.00 0.00 H new ATOM 786 N GLY A 60 -12.805 -11.997 2.311 1.00 0.00 N ATOM 787 CA GLY A 60 -13.862 -12.924 1.942 1.00 0.00 C ATOM 788 C GLY A 60 -14.931 -12.228 1.096 1.00 0.00 C ATOM 789 O GLY A 60 -15.150 -11.026 1.231 1.00 0.00 O ATOM 0 H GLY A 60 -12.105 -11.838 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.439 -13.760 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.318 -13.338 2.841 1.00 0.00 H new ATOM 793 N PHE A 61 -15.568 -13.015 0.242 1.00 0.00 N ATOM 794 CA PHE A 61 -16.608 -12.490 -0.626 1.00 0.00 C ATOM 795 C PHE A 61 -17.998 -12.804 -0.069 1.00 0.00 C ATOM 796 O PHE A 61 -18.127 -13.544 0.906 1.00 0.00 O ATOM 797 CB PHE A 61 -16.450 -13.179 -1.983 1.00 0.00 C ATOM 798 CG PHE A 61 -16.688 -12.258 -3.181 1.00 0.00 C ATOM 799 CD1 PHE A 61 -16.017 -11.078 -3.277 1.00 0.00 C ATOM 800 CD2 PHE A 61 -17.572 -12.618 -4.150 1.00 0.00 C ATOM 801 CE1 PHE A 61 -16.239 -10.224 -4.388 1.00 0.00 C ATOM 802 CE2 PHE A 61 -17.794 -11.763 -5.262 1.00 0.00 C ATOM 803 CZ PHE A 61 -17.123 -10.584 -5.358 1.00 0.00 C ATOM 0 H PHE A 61 -15.384 -14.012 0.133 1.00 0.00 H new ATOM 0 HA PHE A 61 -16.513 -11.407 -0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -15.445 -13.596 -2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -17.146 -14.016 -2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -15.315 -10.792 -2.507 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -18.105 -13.554 -4.074 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -15.706 -9.288 -4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -18.496 -12.049 -6.031 1.00 0.00 H new ATOM 0 HZ PHE A 61 -17.292 -9.934 -6.204 1.00 0.00 H new ATOM 812 N SER A 62 -19.003 -12.227 -0.710 1.00 0.00 N ATOM 813 CA SER A 62 -20.378 -12.435 -0.290 1.00 0.00 C ATOM 814 C SER A 62 -20.635 -13.926 -0.062 1.00 0.00 C ATOM 815 O SER A 62 -20.262 -14.757 -0.889 1.00 0.00 O ATOM 816 CB SER A 62 -21.360 -11.879 -1.323 1.00 0.00 C ATOM 817 OG SER A 62 -21.467 -10.460 -1.248 1.00 0.00 O ATOM 0 H SER A 62 -18.892 -11.615 -1.518 1.00 0.00 H new ATOM 0 HA SER A 62 -20.535 -11.898 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 62 -21.035 -12.166 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 62 -22.342 -12.325 -1.167 1.00 0.00 H new ATOM 0 HG SER A 62 -22.102 -10.144 -1.924 1.00 0.00 H new ATOM 822 N GLY A 63 -21.271 -14.219 1.062 1.00 0.00 N ATOM 823 CA GLY A 63 -21.582 -15.595 1.409 1.00 0.00 C ATOM 824 C GLY A 63 -22.837 -15.671 2.282 1.00 0.00 C ATOM 825 O GLY A 63 -22.764 -15.501 3.497 1.00 0.00 O ATOM 0 H GLY A 63 -21.580 -13.527 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -21.731 -16.178 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -20.739 -16.040 1.938 1.00 0.00 H new ATOM 829 N PRO A 64 -23.990 -15.931 1.609 1.00 0.00 N ATOM 830 CA PRO A 64 -25.259 -16.031 2.309 1.00 0.00 C ATOM 831 C PRO A 64 -25.363 -17.355 3.069 1.00 0.00 C ATOM 832 O PRO A 64 -25.465 -18.419 2.460 1.00 0.00 O ATOM 833 CB PRO A 64 -26.318 -15.883 1.227 1.00 0.00 C ATOM 834 CG PRO A 64 -25.613 -16.171 -0.088 1.00 0.00 C ATOM 835 CD PRO A 64 -24.115 -16.138 0.168 1.00 0.00 C ATOM 0 HA PRO A 64 -25.379 -15.263 3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -27.142 -16.578 1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -26.743 -14.879 1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -25.912 -17.145 -0.476 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -25.888 -15.430 -0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -23.640 -17.069 -0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -23.635 -15.334 -0.391 1.00 0.00 H new ATOM 840 N SER A 65 -25.334 -17.245 4.389 1.00 0.00 N ATOM 841 CA SER A 65 -25.424 -18.420 5.239 1.00 0.00 C ATOM 842 C SER A 65 -25.827 -18.011 6.657 1.00 0.00 C ATOM 843 O SER A 65 -24.975 -17.655 7.471 1.00 0.00 O ATOM 844 CB SER A 65 -24.099 -19.184 5.264 1.00 0.00 C ATOM 845 OG SER A 65 -24.151 -20.369 4.474 1.00 0.00 O ATOM 0 H SER A 65 -25.250 -16.361 4.890 1.00 0.00 H new ATOM 0 HA SER A 65 -26.187 -19.081 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 65 -23.301 -18.538 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 65 -23.850 -19.445 6.293 1.00 0.00 H new ATOM 0 HG SER A 65 -24.566 -20.168 3.609 1.00 0.00 H new ATOM 850 N SER A 66 -27.126 -18.074 6.910 1.00 0.00 N ATOM 851 CA SER A 66 -27.652 -17.714 8.217 1.00 0.00 C ATOM 852 C SER A 66 -27.732 -16.192 8.347 1.00 0.00 C ATOM 853 O SER A 66 -28.805 -15.641 8.586 1.00 0.00 O ATOM 854 CB SER A 66 -26.791 -18.299 9.337 1.00 0.00 C ATOM 855 OG SER A 66 -27.583 -18.864 10.379 1.00 0.00 O ATOM 0 H SER A 66 -27.830 -18.369 6.233 1.00 0.00 H new ATOM 0 HA SER A 66 -28.654 -18.133 8.310 1.00 0.00 H new ATOM 0 HB2 SER A 66 -26.133 -19.064 8.926 1.00 0.00 H new ATOM 0 HB3 SER A 66 -26.153 -17.518 9.750 1.00 0.00 H new ATOM 0 HG SER A 66 -26.997 -19.229 11.074 1.00 0.00 H new ATOM 860 N GLY A 67 -26.581 -15.555 8.185 1.00 0.00 N ATOM 861 CA GLY A 67 -26.506 -14.108 8.282 1.00 0.00 C ATOM 862 C GLY A 67 -26.449 -13.467 6.894 1.00 0.00 C ATOM 863 O GLY A 67 -27.163 -13.885 5.983 1.00 0.00 O ATOM 0 H GLY A 67 -25.693 -16.016 7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -27.373 -13.731 8.825 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -25.623 -13.824 8.854 1.00 0.00 H new TER 867 GLY A 67