USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 555 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 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 164:sc= 0 (180deg=-0.193) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -1 GLN : amide:sc= 2.06 K(o=2.1,f=-4.3!) USER MOD Single : A -1 GLN N :NH3+ -145:sc= -0.0328 (180deg=-0.305) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= -0.0208 (180deg=-0.197) USER MOD Single : A 16 SER OG : rot 180:sc= -0.193 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0432 USER MOD Single : A 24 THR OG1 : rot -123:sc= 0.545 USER MOD Single : A 26 SER OG : rot 116:sc= 1.14 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-4.1e-05) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.681 K(o=-0.68,f=-9.2!) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 40 MET CE :methyl 154:sc= -0.133 (180deg=-1.27) USER MOD Single : A 42 SER OG : rot -50:sc= -1.46 USER MOD Single : A 43 TYR OH : rot 173:sc= -1.39! USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -0.0376 (180deg=-0.221) USER MOD Single : A 46 ASN : amide:sc= -0.0808 K(o=-0.081,f=-2.1!) USER MOD Single : A 50 HIS : no HE2:sc= -0.299 X(o=-0.3,f=-0.065) USER MOD Single : A 53 THR OG1 : rot -115:sc= 0.331 USER MOD Single : A 59 GLN : amide:sc= -1.79 K(o=-1.8,f=-2.3!) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.251 F(o=-1.8,f=-0.25) USER MOD Single : A 67 HIS : no HD1:sc=-0.00504 X(o=-0.005,f=-0.28) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 21:sc= 0.808 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A -1 -5.405 14.613 -7.065 1.00 0.00 N ATOM 2 CA GLN A -1 -4.436 13.606 -6.572 1.00 0.00 C ATOM 3 C GLN A -1 -3.669 13.006 -7.740 1.00 0.00 C ATOM 4 O GLN A -1 -4.271 12.510 -8.692 1.00 0.00 O ATOM 5 CB GLN A -1 -5.163 12.487 -5.824 1.00 0.00 C ATOM 6 CG GLN A -1 -6.113 12.978 -4.746 1.00 0.00 C ATOM 7 CD GLN A -1 -6.794 11.837 -4.018 1.00 0.00 C ATOM 8 OE1 GLN A -1 -7.841 11.352 -4.443 1.00 0.00 O ATOM 9 NE2 GLN A -1 -6.213 11.409 -2.911 1.00 0.00 N ATOM 0 H1 GLN A -1 -5.481 15.388 -6.376 1.00 0.00 H new ATOM 0 H2 GLN A -1 -5.079 14.991 -7.977 1.00 0.00 H new ATOM 0 H3 GLN A -1 -6.336 14.167 -7.188 1.00 0.00 H new ATOM 0 HA GLN A -1 -3.742 14.102 -5.893 1.00 0.00 H new ATOM 0 HB2 GLN A -1 -5.724 11.889 -6.542 1.00 0.00 H new ATOM 0 HB3 GLN A -1 -4.423 11.828 -5.369 1.00 0.00 H new ATOM 0 HG2 GLN A -1 -5.562 13.587 -4.029 1.00 0.00 H new ATOM 0 HG3 GLN A -1 -6.869 13.622 -5.196 1.00 0.00 H new ATOM 0 HE21 GLN A -1 -5.344 11.838 -2.592 1.00 0.00 H new ATOM 0 HE22 GLN A -1 -6.633 10.649 -2.375 1.00 0.00 H new ATOM 20 N SER A 0 -2.345 13.056 -7.676 1.00 0.00 N ATOM 21 CA SER A 0 -1.518 12.483 -8.726 1.00 0.00 C ATOM 22 C SER A 0 -1.436 10.970 -8.576 1.00 0.00 C ATOM 23 O SER A 0 -1.437 10.238 -9.564 1.00 0.00 O ATOM 24 CB SER A 0 -0.122 13.103 -8.705 1.00 0.00 C ATOM 25 OG SER A 0 -0.195 14.508 -8.885 1.00 0.00 O ATOM 0 H SER A 0 -1.824 13.486 -6.911 1.00 0.00 H new ATOM 0 HA SER A 0 -1.978 12.707 -9.688 1.00 0.00 H new ATOM 0 HB2 SER A 0 0.367 12.878 -7.757 1.00 0.00 H new ATOM 0 HB3 SER A 0 0.489 12.662 -9.492 1.00 0.00 H new ATOM 0 HG SER A 0 0.708 14.887 -8.867 1.00 0.00 H new ATOM 31 N MET A 1 -1.380 10.501 -7.338 1.00 0.00 N ATOM 32 CA MET A 1 -1.380 9.070 -7.076 1.00 0.00 C ATOM 33 C MET A 1 -2.804 8.547 -7.013 1.00 0.00 C ATOM 34 O MET A 1 -3.746 9.301 -6.748 1.00 0.00 O ATOM 35 CB MET A 1 -0.651 8.740 -5.772 1.00 0.00 C ATOM 36 CG MET A 1 -1.264 9.384 -4.538 1.00 0.00 C ATOM 37 SD MET A 1 -0.296 9.090 -3.045 1.00 0.00 S ATOM 38 CE MET A 1 -1.280 9.971 -1.837 1.00 0.00 C ATOM 0 H MET A 1 -1.334 11.087 -6.504 1.00 0.00 H new ATOM 0 HA MET A 1 -0.850 8.584 -7.895 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.641 7.658 -5.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.387 9.060 -5.858 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.355 10.458 -4.701 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.273 8.997 -4.394 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.989 9.660 -0.834 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.116 11.043 -1.947 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.335 9.747 -1.994 1.00 0.00 H new ATOM 48 N ALA A 2 -2.954 7.265 -7.283 1.00 0.00 N ATOM 49 CA ALA A 2 -4.263 6.621 -7.243 1.00 0.00 C ATOM 50 C ALA A 2 -4.228 5.295 -6.481 1.00 0.00 C ATOM 51 O ALA A 2 -5.272 4.747 -6.125 1.00 0.00 O ATOM 52 CB ALA A 2 -4.775 6.395 -8.659 1.00 0.00 C ATOM 0 H ALA A 2 -2.186 6.642 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.941 7.288 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.752 5.914 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.862 7.353 -9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.077 5.756 -9.200 1.00 0.00 H new ATOM 58 N LEU A 3 -3.027 4.788 -6.222 1.00 0.00 N ATOM 59 CA LEU A 3 -2.859 3.485 -5.596 1.00 0.00 C ATOM 60 C LEU A 3 -2.132 3.632 -4.276 1.00 0.00 C ATOM 61 O LEU A 3 -1.416 4.608 -4.048 1.00 0.00 O ATOM 62 CB LEU A 3 -2.064 2.519 -6.493 1.00 0.00 C ATOM 63 CG LEU A 3 -2.632 2.272 -7.895 1.00 0.00 C ATOM 64 CD1 LEU A 3 -2.315 3.438 -8.809 1.00 0.00 C ATOM 65 CD2 LEU A 3 -2.082 0.980 -8.474 1.00 0.00 C ATOM 0 H LEU A 3 -2.152 5.265 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.855 3.072 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.050 2.905 -6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.988 1.560 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.715 2.180 -7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.726 3.246 -9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.757 4.348 -8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.234 3.560 -8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.497 0.822 -9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.996 1.044 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.358 0.146 -7.829 1.00 0.00 H new ATOM 77 N HIS A 4 -2.329 2.662 -3.411 1.00 0.00 N ATOM 78 CA HIS A 4 -1.663 2.654 -2.119 1.00 0.00 C ATOM 79 C HIS A 4 -0.377 1.861 -2.199 1.00 0.00 C ATOM 80 O HIS A 4 -0.368 0.703 -2.617 1.00 0.00 O ATOM 81 CB HIS A 4 -2.541 2.057 -1.029 1.00 0.00 C ATOM 82 CG HIS A 4 -3.495 3.023 -0.390 1.00 0.00 C ATOM 83 ND1 HIS A 4 -3.286 3.561 0.862 1.00 0.00 N ATOM 84 CD2 HIS A 4 -4.673 3.531 -0.822 1.00 0.00 C ATOM 85 CE1 HIS A 4 -4.291 4.356 1.171 1.00 0.00 C ATOM 86 NE2 HIS A 4 -5.149 4.359 0.168 1.00 0.00 N ATOM 0 H HIS A 4 -2.945 1.866 -3.575 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.452 3.692 -1.862 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.112 1.231 -1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.899 1.636 -0.255 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.151 3.325 -1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.395 4.912 2.091 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.021 4.888 0.133 1.00 0.00 H new ATOM 95 N TYR A 5 0.691 2.495 -1.782 1.00 0.00 N ATOM 96 CA TYR A 5 2.011 1.880 -1.785 1.00 0.00 C ATOM 97 C TYR A 5 2.315 1.310 -0.411 1.00 0.00 C ATOM 98 O TYR A 5 2.130 1.991 0.592 1.00 0.00 O ATOM 99 CB TYR A 5 3.106 2.898 -2.135 1.00 0.00 C ATOM 100 CG TYR A 5 3.119 3.405 -3.562 1.00 0.00 C ATOM 101 CD1 TYR A 5 4.143 4.233 -3.997 1.00 0.00 C ATOM 102 CD2 TYR A 5 2.137 3.057 -4.470 1.00 0.00 C ATOM 103 CE1 TYR A 5 4.189 4.694 -5.294 1.00 0.00 C ATOM 104 CE2 TYR A 5 2.171 3.510 -5.772 1.00 0.00 C ATOM 105 CZ TYR A 5 3.201 4.330 -6.182 1.00 0.00 C ATOM 106 OH TYR A 5 3.243 4.787 -7.479 1.00 0.00 O ATOM 0 H TYR A 5 0.678 3.452 -1.429 1.00 0.00 H new ATOM 0 HA TYR A 5 2.003 1.092 -2.538 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.003 3.754 -1.469 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.075 2.445 -1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.920 4.522 -3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.326 2.417 -4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.996 5.338 -5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.395 3.224 -6.467 1.00 0.00 H new ATOM 0 HH TYR A 5 2.473 4.437 -7.974 1.00 0.00 H new ATOM 116 N TYR A 6 2.761 0.069 -0.370 1.00 0.00 N ATOM 117 CA TYR A 6 3.253 -0.534 0.862 1.00 0.00 C ATOM 118 C TYR A 6 4.614 -1.143 0.590 1.00 0.00 C ATOM 119 O TYR A 6 4.798 -1.833 -0.405 1.00 0.00 O ATOM 120 CB TYR A 6 2.276 -1.585 1.388 1.00 0.00 C ATOM 121 CG TYR A 6 0.959 -0.992 1.825 1.00 0.00 C ATOM 122 CD1 TYR A 6 -0.096 -0.873 0.935 1.00 0.00 C ATOM 123 CD2 TYR A 6 0.780 -0.541 3.125 1.00 0.00 C ATOM 124 CE1 TYR A 6 -1.297 -0.324 1.327 1.00 0.00 C ATOM 125 CE2 TYR A 6 -0.422 0.011 3.526 1.00 0.00 C ATOM 126 CZ TYR A 6 -1.456 0.117 2.620 1.00 0.00 C ATOM 127 OH TYR A 6 -2.658 0.661 3.007 1.00 0.00 O ATOM 0 H TYR A 6 2.794 -0.549 -1.181 1.00 0.00 H new ATOM 0 HA TYR A 6 3.342 0.231 1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.095 -2.327 0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.731 -2.108 2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.025 -1.216 -0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.591 -0.622 3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.111 -0.240 0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.550 0.357 4.541 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.610 0.923 3.950 1.00 0.00 H new ATOM 137 N CYS A 7 5.577 -0.872 1.448 1.00 0.00 N ATOM 138 CA CYS A 7 6.949 -1.186 1.113 1.00 0.00 C ATOM 139 C CYS A 7 7.339 -2.610 1.417 1.00 0.00 C ATOM 140 O CYS A 7 6.893 -3.214 2.395 1.00 0.00 O ATOM 141 CB CYS A 7 7.948 -0.262 1.794 1.00 0.00 C ATOM 142 SG CYS A 7 9.577 -0.454 1.013 1.00 0.00 S ATOM 0 H CYS A 7 5.439 -0.444 2.364 1.00 0.00 H new ATOM 0 HA CYS A 7 6.990 -1.038 0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.615 0.773 1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.012 -0.497 2.856 1.00 0.00 H new ATOM 147 N ARG A 8 8.209 -3.123 0.560 1.00 0.00 N ATOM 148 CA ARG A 8 8.871 -4.374 0.807 1.00 0.00 C ATOM 149 C ARG A 8 9.888 -4.177 1.931 1.00 0.00 C ATOM 150 O ARG A 8 10.725 -3.270 1.883 1.00 0.00 O ATOM 151 CB ARG A 8 9.580 -4.890 -0.453 1.00 0.00 C ATOM 152 CG ARG A 8 10.787 -4.062 -0.861 1.00 0.00 C ATOM 153 CD ARG A 8 11.655 -4.784 -1.873 1.00 0.00 C ATOM 154 NE ARG A 8 13.032 -4.295 -1.839 1.00 0.00 N ATOM 155 CZ ARG A 8 14.008 -4.759 -2.613 1.00 0.00 C ATOM 156 NH1 ARG A 8 13.751 -5.664 -3.544 1.00 0.00 N ATOM 157 NH2 ARG A 8 15.245 -4.307 -2.458 1.00 0.00 N ATOM 0 H ARG A 8 8.468 -2.678 -0.320 1.00 0.00 H new ATOM 0 HA ARG A 8 8.126 -5.116 1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.897 -5.919 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.868 -4.907 -1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.451 -3.114 -1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.380 -3.826 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.642 -5.854 -1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.243 -4.646 -2.873 1.00 0.00 H new ATOM 0 HE ARG A 8 13.258 -3.551 -1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.800 -6.009 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.504 -6.016 -4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.446 -3.605 -1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.996 -4.662 -3.051 1.00 0.00 H new ATOM 171 N HIS A 9 9.738 -4.962 2.974 1.00 0.00 N ATOM 172 CA HIS A 9 10.729 -5.070 4.054 1.00 0.00 C ATOM 173 C HIS A 9 10.615 -3.921 5.059 1.00 0.00 C ATOM 174 O HIS A 9 10.646 -4.159 6.264 1.00 0.00 O ATOM 175 CB HIS A 9 12.163 -5.168 3.505 1.00 0.00 C ATOM 176 CG HIS A 9 13.168 -5.621 4.525 1.00 0.00 C ATOM 177 ND1 HIS A 9 13.550 -6.938 4.667 1.00 0.00 N ATOM 178 CD2 HIS A 9 13.868 -4.928 5.456 1.00 0.00 C ATOM 179 CE1 HIS A 9 14.438 -7.035 5.639 1.00 0.00 C ATOM 180 NE2 HIS A 9 14.650 -5.831 6.133 1.00 0.00 N ATOM 0 H HIS A 9 8.920 -5.556 3.110 1.00 0.00 H new ATOM 0 HA HIS A 9 10.506 -5.996 4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.174 -5.861 2.664 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.463 -4.194 3.120 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.820 -3.864 5.632 1.00 0.00 H new ATOM 0 HE1 HIS A 9 14.911 -7.947 5.973 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.291 -5.607 6.894 1.00 0.00 H new ATOM 189 N CYS A 10 10.486 -2.679 4.587 1.00 0.00 N ATOM 190 CA CYS A 10 10.280 -1.566 5.513 1.00 0.00 C ATOM 191 C CYS A 10 8.882 -1.678 6.123 1.00 0.00 C ATOM 192 O CYS A 10 8.675 -1.396 7.303 1.00 0.00 O ATOM 193 CB CYS A 10 10.393 -0.192 4.840 1.00 0.00 C ATOM 194 SG CYS A 10 11.854 0.128 3.826 1.00 0.00 S ATOM 0 H CYS A 10 10.519 -2.424 3.600 1.00 0.00 H new ATOM 0 HA CYS A 10 11.064 -1.635 6.267 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.512 -0.052 4.213 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.353 0.568 5.620 1.00 0.00 H new ATOM 199 N GLY A 11 7.928 -2.103 5.292 1.00 0.00 N ATOM 200 CA GLY A 11 6.554 -2.262 5.734 1.00 0.00 C ATOM 201 C GLY A 11 5.809 -0.944 5.784 1.00 0.00 C ATOM 202 O GLY A 11 4.729 -0.856 6.367 1.00 0.00 O ATOM 0 H GLY A 11 8.088 -2.341 4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.035 -2.945 5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.544 -2.720 6.723 1.00 0.00 H new ATOM 206 N VAL A 12 6.377 0.078 5.161 1.00 0.00 N ATOM 207 CA VAL A 12 5.808 1.416 5.219 1.00 0.00 C ATOM 208 C VAL A 12 4.944 1.729 4.008 1.00 0.00 C ATOM 209 O VAL A 12 5.283 1.385 2.879 1.00 0.00 O ATOM 210 CB VAL A 12 6.899 2.501 5.398 1.00 0.00 C ATOM 211 CG1 VAL A 12 8.147 2.131 4.643 1.00 0.00 C ATOM 212 CG2 VAL A 12 6.423 3.860 4.924 1.00 0.00 C ATOM 0 H VAL A 12 7.232 0.006 4.609 1.00 0.00 H new ATOM 0 HA VAL A 12 5.165 1.432 6.099 1.00 0.00 H new ATOM 0 HB VAL A 12 7.116 2.558 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.900 2.907 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.530 1.182 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.916 2.036 3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.217 4.593 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.164 3.806 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.546 4.159 5.498 1.00 0.00 H new ATOM 222 N LYS A 13 3.817 2.377 4.273 1.00 0.00 N ATOM 223 CA LYS A 13 2.916 2.818 3.224 1.00 0.00 C ATOM 224 C LYS A 13 3.433 4.094 2.566 1.00 0.00 C ATOM 225 O LYS A 13 3.184 5.204 3.036 1.00 0.00 O ATOM 226 CB LYS A 13 1.484 3.011 3.760 1.00 0.00 C ATOM 227 CG LYS A 13 1.373 3.249 5.268 1.00 0.00 C ATOM 228 CD LYS A 13 1.943 4.593 5.690 1.00 0.00 C ATOM 229 CE LYS A 13 1.893 4.776 7.200 1.00 0.00 C ATOM 230 NZ LYS A 13 0.510 4.659 7.737 1.00 0.00 N ATOM 0 H LYS A 13 3.506 2.609 5.216 1.00 0.00 H new ATOM 0 HA LYS A 13 2.880 2.037 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.031 3.856 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.897 2.129 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.326 3.193 5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.897 2.453 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.975 4.675 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.383 5.394 5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.529 4.030 7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.300 5.754 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.495 4.972 8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.132 5.255 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.199 3.668 7.682 1.00 0.00 H new ATOM 244 N VAL A 14 4.144 3.922 1.461 1.00 0.00 N ATOM 245 CA VAL A 14 4.752 5.045 0.756 1.00 0.00 C ATOM 246 C VAL A 14 3.702 5.820 -0.036 1.00 0.00 C ATOM 247 O VAL A 14 3.948 6.935 -0.493 1.00 0.00 O ATOM 248 CB VAL A 14 5.883 4.608 -0.214 1.00 0.00 C ATOM 249 CG1 VAL A 14 7.144 5.406 0.055 1.00 0.00 C ATOM 250 CG2 VAL A 14 6.186 3.116 -0.126 1.00 0.00 C ATOM 0 H VAL A 14 4.315 3.013 1.031 1.00 0.00 H new ATOM 0 HA VAL A 14 5.191 5.679 1.526 1.00 0.00 H new ATOM 0 HB VAL A 14 5.528 4.809 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.929 5.089 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.941 6.467 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.470 5.236 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.984 2.865 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.500 2.868 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.291 2.547 -0.378 1.00 0.00 H new ATOM 260 N GLY A 15 2.524 5.229 -0.177 1.00 0.00 N ATOM 261 CA GLY A 15 1.475 5.845 -0.963 1.00 0.00 C ATOM 262 C GLY A 15 0.414 6.483 -0.097 1.00 0.00 C ATOM 263 O GLY A 15 -0.781 6.290 -0.321 1.00 0.00 O ATOM 0 H GLY A 15 2.276 4.332 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.910 6.600 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.015 5.093 -1.604 1.00 0.00 H new ATOM 267 N SER A 16 0.853 7.214 0.913 1.00 0.00 N ATOM 268 CA SER A 16 -0.053 7.917 1.809 1.00 0.00 C ATOM 269 C SER A 16 0.655 9.109 2.441 1.00 0.00 C ATOM 270 O SER A 16 1.138 9.037 3.570 1.00 0.00 O ATOM 271 CB SER A 16 -0.581 6.970 2.891 1.00 0.00 C ATOM 272 OG SER A 16 -1.260 5.866 2.310 1.00 0.00 O ATOM 0 H SER A 16 1.841 7.338 1.135 1.00 0.00 H new ATOM 0 HA SER A 16 -0.902 8.282 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.247 6.612 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.257 7.510 3.554 1.00 0.00 H new ATOM 0 HG SER A 16 -1.588 5.274 3.019 1.00 0.00 H new ATOM 278 N LEU A 17 0.713 10.208 1.701 1.00 0.00 N ATOM 279 CA LEU A 17 1.398 11.402 2.160 1.00 0.00 C ATOM 280 C LEU A 17 0.378 12.455 2.542 1.00 0.00 C ATOM 281 O LEU A 17 0.691 13.435 3.215 1.00 0.00 O ATOM 282 CB LEU A 17 2.344 11.922 1.069 1.00 0.00 C ATOM 283 CG LEU A 17 1.690 12.235 -0.284 1.00 0.00 C ATOM 284 CD1 LEU A 17 1.228 13.683 -0.350 1.00 0.00 C ATOM 285 CD2 LEU A 17 2.647 11.926 -1.421 1.00 0.00 C ATOM 0 H LEU A 17 0.291 10.294 0.776 1.00 0.00 H new ATOM 0 HA LEU A 17 1.998 11.163 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.829 12.827 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.128 11.182 0.910 1.00 0.00 H new ATOM 0 HG LEU A 17 0.811 11.599 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.769 13.875 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.500 13.869 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.084 14.344 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.167 12.154 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.547 12.532 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.916 10.870 -1.394 1.00 0.00 H new ATOM 297 N GLU A 18 -0.850 12.233 2.104 1.00 0.00 N ATOM 298 CA GLU A 18 -1.935 13.151 2.387 1.00 0.00 C ATOM 299 C GLU A 18 -2.483 12.918 3.788 1.00 0.00 C ATOM 300 O GLU A 18 -2.770 11.782 4.171 1.00 0.00 O ATOM 301 CB GLU A 18 -3.059 13.001 1.361 1.00 0.00 C ATOM 302 CG GLU A 18 -2.663 13.410 -0.048 1.00 0.00 C ATOM 303 CD GLU A 18 -3.833 13.368 -1.006 1.00 0.00 C ATOM 304 OE1 GLU A 18 -4.589 14.364 -1.072 1.00 0.00 O ATOM 305 OE2 GLU A 18 -4.007 12.341 -1.695 1.00 0.00 O ATOM 0 H GLU A 18 -1.119 11.421 1.549 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.538 14.164 2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.390 11.963 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.910 13.603 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.248 14.418 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.876 12.748 -0.409 1.00 0.00 H new ATOM 312 N SER A 19 -2.615 13.990 4.548 1.00 0.00 N ATOM 313 CA SER A 19 -3.172 13.910 5.884 1.00 0.00 C ATOM 314 C SER A 19 -4.213 15.007 6.094 1.00 0.00 C ATOM 315 O SER A 19 -3.976 16.176 5.779 1.00 0.00 O ATOM 316 CB SER A 19 -2.054 14.011 6.926 1.00 0.00 C ATOM 317 OG SER A 19 -1.194 15.109 6.656 1.00 0.00 O ATOM 0 H SER A 19 -2.342 14.930 4.260 1.00 0.00 H new ATOM 0 HA SER A 19 -3.668 12.947 6.003 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.489 14.123 7.919 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.476 13.087 6.933 1.00 0.00 H new ATOM 0 HG SER A 19 -0.491 15.150 7.338 1.00 0.00 H new ATOM 323 N SER A 20 -5.370 14.616 6.604 1.00 0.00 N ATOM 324 CA SER A 20 -6.449 15.549 6.872 1.00 0.00 C ATOM 325 C SER A 20 -7.426 14.930 7.862 1.00 0.00 C ATOM 326 O SER A 20 -7.418 15.268 9.047 1.00 0.00 O ATOM 327 CB SER A 20 -7.161 15.940 5.572 1.00 0.00 C ATOM 328 OG SER A 20 -8.213 16.858 5.813 1.00 0.00 O ATOM 0 H SER A 20 -5.586 13.648 6.842 1.00 0.00 H new ATOM 0 HA SER A 20 -6.034 16.457 7.309 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.443 16.381 4.881 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.559 15.047 5.091 1.00 0.00 H new ATOM 0 HG SER A 20 -8.646 17.089 4.965 1.00 0.00 H new ATOM 334 N MET A 21 -8.246 14.002 7.388 1.00 0.00 N ATOM 335 CA MET A 21 -9.187 13.313 8.256 1.00 0.00 C ATOM 336 C MET A 21 -8.853 11.832 8.308 1.00 0.00 C ATOM 337 O MET A 21 -8.286 11.353 9.290 1.00 0.00 O ATOM 338 CB MET A 21 -10.628 13.506 7.776 1.00 0.00 C ATOM 339 CG MET A 21 -11.059 14.958 7.709 1.00 0.00 C ATOM 340 SD MET A 21 -12.803 15.144 7.298 1.00 0.00 S ATOM 341 CE MET A 21 -12.924 16.923 7.177 1.00 0.00 C ATOM 0 H MET A 21 -8.278 13.711 6.411 1.00 0.00 H new ATOM 0 HA MET A 21 -9.103 13.740 9.255 1.00 0.00 H new ATOM 0 HB2 MET A 21 -10.735 13.058 6.788 1.00 0.00 H new ATOM 0 HB3 MET A 21 -11.300 12.967 8.445 1.00 0.00 H new ATOM 0 HG2 MET A 21 -10.863 15.436 8.669 1.00 0.00 H new ATOM 0 HG3 MET A 21 -10.456 15.478 6.964 1.00 0.00 H new ATOM 0 HE1 MET A 21 -13.948 17.202 6.927 1.00 0.00 H new ATOM 0 HE2 MET A 21 -12.648 17.372 8.131 1.00 0.00 H new ATOM 0 HE3 MET A 21 -12.250 17.281 6.399 1.00 0.00 H new ATOM 351 N VAL A 22 -9.177 11.129 7.223 1.00 0.00 N ATOM 352 CA VAL A 22 -8.927 9.700 7.105 1.00 0.00 C ATOM 353 C VAL A 22 -9.438 8.956 8.339 1.00 0.00 C ATOM 354 O VAL A 22 -8.669 8.338 9.079 1.00 0.00 O ATOM 355 CB VAL A 22 -7.428 9.398 6.887 1.00 0.00 C ATOM 356 CG1 VAL A 22 -7.256 8.011 6.304 1.00 0.00 C ATOM 357 CG2 VAL A 22 -6.779 10.439 5.986 1.00 0.00 C ATOM 0 H VAL A 22 -9.621 11.539 6.401 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.472 9.349 6.229 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.929 9.440 7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.196 7.808 6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.673 7.274 6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.775 7.951 5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.724 10.198 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.276 10.442 5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.871 11.424 6.443 1.00 0.00 H new ATOM 367 N SER A 23 -10.743 9.026 8.551 1.00 0.00 N ATOM 368 CA SER A 23 -11.363 8.432 9.722 1.00 0.00 C ATOM 369 C SER A 23 -11.390 6.910 9.625 1.00 0.00 C ATOM 370 O SER A 23 -11.490 6.214 10.636 1.00 0.00 O ATOM 371 CB SER A 23 -12.779 8.983 9.885 1.00 0.00 C ATOM 372 OG SER A 23 -13.466 8.988 8.643 1.00 0.00 O ATOM 0 H SER A 23 -11.396 9.492 7.921 1.00 0.00 H new ATOM 0 HA SER A 23 -10.769 8.694 10.598 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.328 8.378 10.607 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.736 9.996 10.285 1.00 0.00 H new ATOM 0 HG SER A 23 -14.371 9.343 8.771 1.00 0.00 H new ATOM 378 N THR A 24 -11.295 6.400 8.405 1.00 0.00 N ATOM 379 CA THR A 24 -11.348 4.969 8.174 1.00 0.00 C ATOM 380 C THR A 24 -10.848 4.631 6.773 1.00 0.00 C ATOM 381 O THR A 24 -11.036 5.398 5.830 1.00 0.00 O ATOM 382 CB THR A 24 -12.789 4.435 8.372 1.00 0.00 C ATOM 383 OG1 THR A 24 -12.861 3.036 8.064 1.00 0.00 O ATOM 384 CG2 THR A 24 -13.781 5.199 7.510 1.00 0.00 C ATOM 0 H THR A 24 -11.181 6.960 7.560 1.00 0.00 H new ATOM 0 HA THR A 24 -10.696 4.485 8.901 1.00 0.00 H new ATOM 0 HB THR A 24 -13.051 4.583 9.420 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.537 2.888 7.370 1.00 0.00 H new ATOM 0 HG21 THR A 24 -14.783 4.802 7.670 1.00 0.00 H new ATOM 0 HG22 THR A 24 -13.761 6.255 7.781 1.00 0.00 H new ATOM 0 HG23 THR A 24 -13.511 5.089 6.460 1.00 0.00 H new ATOM 392 N ASP A 25 -10.175 3.494 6.662 1.00 0.00 N ATOM 393 CA ASP A 25 -9.717 2.982 5.375 1.00 0.00 C ATOM 394 C ASP A 25 -10.760 2.019 4.832 1.00 0.00 C ATOM 395 O ASP A 25 -10.774 1.671 3.652 1.00 0.00 O ATOM 396 CB ASP A 25 -8.372 2.269 5.551 1.00 0.00 C ATOM 397 CG ASP A 25 -7.770 1.774 4.248 1.00 0.00 C ATOM 398 OD1 ASP A 25 -7.885 0.564 3.958 1.00 0.00 O ATOM 399 OD2 ASP A 25 -7.153 2.588 3.523 1.00 0.00 O ATOM 0 H ASP A 25 -9.931 2.902 7.456 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.582 3.804 4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.669 2.951 6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.505 1.422 6.225 1.00 0.00 H new ATOM 404 N SER A 26 -11.647 1.610 5.719 1.00 0.00 N ATOM 405 CA SER A 26 -12.688 0.662 5.388 1.00 0.00 C ATOM 406 C SER A 26 -14.010 1.380 5.130 1.00 0.00 C ATOM 407 O SER A 26 -14.714 1.759 6.069 1.00 0.00 O ATOM 408 CB SER A 26 -12.848 -0.333 6.539 1.00 0.00 C ATOM 409 OG SER A 26 -13.747 -1.374 6.203 1.00 0.00 O ATOM 0 H SER A 26 -11.664 1.927 6.688 1.00 0.00 H new ATOM 0 HA SER A 26 -12.407 0.130 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.876 -0.757 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.209 0.189 7.425 1.00 0.00 H new ATOM 0 HG SER A 26 -13.269 -2.229 6.194 1.00 0.00 H new ATOM 415 N LEU A 27 -14.342 1.578 3.859 1.00 0.00 N ATOM 416 CA LEU A 27 -15.624 2.166 3.489 1.00 0.00 C ATOM 417 C LEU A 27 -16.142 1.600 2.174 1.00 0.00 C ATOM 418 O LEU A 27 -16.977 0.695 2.170 1.00 0.00 O ATOM 419 CB LEU A 27 -15.528 3.691 3.395 1.00 0.00 C ATOM 420 CG LEU A 27 -15.772 4.439 4.707 1.00 0.00 C ATOM 421 CD1 LEU A 27 -15.475 5.917 4.537 1.00 0.00 C ATOM 422 CD2 LEU A 27 -17.208 4.240 5.174 1.00 0.00 C ATOM 0 H LEU A 27 -13.742 1.340 3.069 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.331 1.906 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.538 3.955 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.249 4.040 2.656 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.101 4.034 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.654 6.435 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.434 6.047 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.124 6.332 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.365 4.779 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.893 4.621 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.395 3.178 5.332 1.00 0.00 H new ATOM 434 N GLY A 28 -15.633 2.118 1.064 1.00 0.00 N ATOM 435 CA GLY A 28 -16.150 1.736 -0.235 1.00 0.00 C ATOM 436 C GLY A 28 -17.468 2.423 -0.536 1.00 0.00 C ATOM 437 O GLY A 28 -18.504 2.076 0.037 1.00 0.00 O ATOM 0 H GLY A 28 -14.871 2.796 1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.422 1.990 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.286 0.655 -0.269 1.00 0.00 H new ATOM 441 N PHE A 29 -17.432 3.407 -1.421 1.00 0.00 N ATOM 442 CA PHE A 29 -18.604 4.167 -1.769 1.00 0.00 C ATOM 443 C PHE A 29 -19.161 3.707 -3.100 1.00 0.00 C ATOM 444 O PHE A 29 -18.588 2.863 -3.785 1.00 0.00 O ATOM 445 CB PHE A 29 -18.279 5.660 -1.863 1.00 0.00 C ATOM 446 CG PHE A 29 -18.059 6.341 -0.543 1.00 0.00 C ATOM 447 CD1 PHE A 29 -16.872 6.181 0.150 1.00 0.00 C ATOM 448 CD2 PHE A 29 -19.039 7.158 -0.009 1.00 0.00 C ATOM 449 CE1 PHE A 29 -16.669 6.823 1.355 1.00 0.00 C ATOM 450 CE2 PHE A 29 -18.844 7.801 1.195 1.00 0.00 C ATOM 451 CZ PHE A 29 -17.656 7.634 1.879 1.00 0.00 C ATOM 0 H PHE A 29 -16.586 3.695 -1.913 1.00 0.00 H new ATOM 0 HA PHE A 29 -19.344 4.006 -0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -17.385 5.785 -2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -19.094 6.163 -2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -16.097 5.548 -0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -19.969 7.294 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -15.739 6.691 1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -19.619 8.434 1.602 1.00 0.00 H new ATOM 0 HZ PHE A 29 -17.499 8.137 2.822 1.00 0.00 H new ATOM 461 N GLN A 30 -20.277 4.293 -3.444 1.00 0.00 N ATOM 462 CA GLN A 30 -20.951 4.046 -4.700 1.00 0.00 C ATOM 463 C GLN A 30 -21.895 5.200 -5.006 1.00 0.00 C ATOM 464 O GLN A 30 -22.137 5.535 -6.162 1.00 0.00 O ATOM 465 CB GLN A 30 -21.726 2.732 -4.645 1.00 0.00 C ATOM 466 CG GLN A 30 -22.646 2.603 -3.442 1.00 0.00 C ATOM 467 CD GLN A 30 -23.438 1.311 -3.450 1.00 0.00 C ATOM 468 OE1 GLN A 30 -23.764 0.772 -4.508 1.00 0.00 O ATOM 469 NE2 GLN A 30 -23.757 0.806 -2.271 1.00 0.00 N ATOM 0 H GLN A 30 -20.756 4.970 -2.850 1.00 0.00 H new ATOM 0 HA GLN A 30 -20.206 3.969 -5.492 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -22.319 2.634 -5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -21.017 1.904 -4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -22.053 2.656 -2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -23.335 3.447 -3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -23.468 1.283 -1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -24.292 -0.061 -2.215 1.00 0.00 H new ATOM 478 N HIS A 31 -22.421 5.801 -3.947 1.00 0.00 N ATOM 479 CA HIS A 31 -23.307 6.949 -4.056 1.00 0.00 C ATOM 480 C HIS A 31 -22.723 8.106 -3.253 1.00 0.00 C ATOM 481 O HIS A 31 -23.029 8.272 -2.070 1.00 0.00 O ATOM 482 CB HIS A 31 -24.704 6.577 -3.544 1.00 0.00 C ATOM 483 CG HIS A 31 -25.702 7.692 -3.610 1.00 0.00 C ATOM 484 ND1 HIS A 31 -26.221 8.300 -2.488 1.00 0.00 N ATOM 485 CD2 HIS A 31 -26.293 8.294 -4.668 1.00 0.00 C ATOM 486 CE1 HIS A 31 -27.086 9.227 -2.852 1.00 0.00 C ATOM 487 NE2 HIS A 31 -27.149 9.245 -4.168 1.00 0.00 N ATOM 0 H HIS A 31 -22.244 5.505 -2.987 1.00 0.00 H new ATOM 0 HA HIS A 31 -23.398 7.253 -5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -25.079 5.735 -4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -24.622 6.240 -2.511 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -26.123 8.069 -5.711 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -27.648 9.864 -2.184 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -27.738 9.864 -4.725 1.00 0.00 H new ATOM 496 N LEU A 32 -21.873 8.894 -3.891 1.00 0.00 N ATOM 497 CA LEU A 32 -21.152 9.948 -3.194 1.00 0.00 C ATOM 498 C LEU A 32 -21.261 11.286 -3.901 1.00 0.00 C ATOM 499 O LEU A 32 -21.899 11.426 -4.946 1.00 0.00 O ATOM 500 CB LEU A 32 -19.658 9.613 -3.049 1.00 0.00 C ATOM 501 CG LEU A 32 -18.914 9.282 -4.350 1.00 0.00 C ATOM 502 CD1 LEU A 32 -17.433 9.589 -4.200 1.00 0.00 C ATOM 503 CD2 LEU A 32 -19.098 7.821 -4.735 1.00 0.00 C ATOM 0 H LEU A 32 -21.665 8.825 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 32 -21.619 10.018 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -19.161 10.459 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -19.560 8.765 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 32 -19.335 9.901 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.916 9.350 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.302 10.647 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.018 8.990 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.559 7.618 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -18.709 7.184 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -20.158 7.614 -4.880 1.00 0.00 H new ATOM 515 N THR A 33 -20.630 12.262 -3.281 1.00 0.00 N ATOM 516 CA THR A 33 -20.422 13.571 -3.847 1.00 0.00 C ATOM 517 C THR A 33 -18.952 13.917 -3.638 1.00 0.00 C ATOM 518 O THR A 33 -18.298 13.258 -2.822 1.00 0.00 O ATOM 519 CB THR A 33 -21.332 14.609 -3.152 1.00 0.00 C ATOM 520 OG1 THR A 33 -22.667 14.097 -3.081 1.00 0.00 O ATOM 521 CG2 THR A 33 -21.345 15.941 -3.890 1.00 0.00 C ATOM 0 H THR A 33 -20.239 12.160 -2.345 1.00 0.00 H new ATOM 0 HA THR A 33 -20.672 13.581 -4.908 1.00 0.00 H new ATOM 0 HB THR A 33 -20.934 14.784 -2.152 1.00 0.00 H new ATOM 0 HG1 THR A 33 -23.246 14.753 -2.639 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.997 16.640 -3.367 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.334 16.346 -3.927 1.00 0.00 H new ATOM 0 HG23 THR A 33 -21.713 15.791 -4.905 1.00 0.00 H new ATOM 529 N ASN A 34 -18.424 14.897 -4.362 1.00 0.00 N ATOM 530 CA ASN A 34 -17.015 15.293 -4.226 1.00 0.00 C ATOM 531 C ASN A 34 -16.571 15.373 -2.758 1.00 0.00 C ATOM 532 O ASN A 34 -15.459 14.962 -2.410 1.00 0.00 O ATOM 533 CB ASN A 34 -16.754 16.634 -4.937 1.00 0.00 C ATOM 534 CG ASN A 34 -17.786 17.711 -4.622 1.00 0.00 C ATOM 535 OD1 ASN A 34 -18.402 17.723 -3.559 1.00 0.00 O ATOM 536 ND2 ASN A 34 -17.977 18.630 -5.554 1.00 0.00 N ATOM 0 H ASN A 34 -18.946 15.437 -5.052 1.00 0.00 H new ATOM 0 HA ASN A 34 -16.420 14.515 -4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -15.766 16.998 -4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -16.736 16.466 -6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.653 19.379 -5.401 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -17.448 18.590 -6.425 1.00 0.00 H new ATOM 543 N GLU A 35 -17.459 15.857 -1.898 1.00 0.00 N ATOM 544 CA GLU A 35 -17.153 16.022 -0.485 1.00 0.00 C ATOM 545 C GLU A 35 -16.954 14.688 0.238 1.00 0.00 C ATOM 546 O GLU A 35 -16.141 14.607 1.149 1.00 0.00 O ATOM 547 CB GLU A 35 -18.247 16.829 0.207 1.00 0.00 C ATOM 548 CG GLU A 35 -19.639 16.265 0.011 1.00 0.00 C ATOM 549 CD GLU A 35 -20.681 17.033 0.792 1.00 0.00 C ATOM 550 OE1 GLU A 35 -21.255 17.995 0.241 1.00 0.00 O ATOM 551 OE2 GLU A 35 -20.919 16.688 1.969 1.00 0.00 O ATOM 0 H GLU A 35 -18.403 16.143 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 35 -16.208 16.563 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -18.031 16.876 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -18.223 17.852 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.892 16.287 -1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -19.653 15.220 0.320 1.00 0.00 H new ATOM 558 N GLU A 36 -17.667 13.635 -0.172 1.00 0.00 N ATOM 559 CA GLU A 36 -17.595 12.360 0.532 1.00 0.00 C ATOM 560 C GLU A 36 -16.203 11.763 0.400 1.00 0.00 C ATOM 561 O GLU A 36 -15.692 11.132 1.327 1.00 0.00 O ATOM 562 CB GLU A 36 -18.631 11.387 -0.026 1.00 0.00 C ATOM 563 CG GLU A 36 -20.067 11.853 0.147 1.00 0.00 C ATOM 564 CD GLU A 36 -20.529 11.821 1.591 1.00 0.00 C ATOM 565 OE1 GLU A 36 -20.193 12.750 2.352 1.00 0.00 O ATOM 566 OE2 GLU A 36 -21.252 10.875 1.965 1.00 0.00 O ATOM 0 H GLU A 36 -18.292 13.643 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.807 12.535 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.435 11.231 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -18.511 10.422 0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -20.163 12.869 -0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -20.723 11.222 -0.453 1.00 0.00 H new ATOM 573 N ARG A 37 -15.589 11.991 -0.754 1.00 0.00 N ATOM 574 CA ARG A 37 -14.271 11.480 -1.036 1.00 0.00 C ATOM 575 C ARG A 37 -13.213 12.221 -0.230 1.00 0.00 C ATOM 576 O ARG A 37 -12.245 11.629 0.245 1.00 0.00 O ATOM 577 CB ARG A 37 -13.991 11.613 -2.527 1.00 0.00 C ATOM 578 CG ARG A 37 -12.614 11.139 -2.902 1.00 0.00 C ATOM 579 CD ARG A 37 -12.419 11.060 -4.405 1.00 0.00 C ATOM 580 NE ARG A 37 -11.033 10.751 -4.744 1.00 0.00 N ATOM 581 CZ ARG A 37 -10.659 9.838 -5.639 1.00 0.00 C ATOM 582 NH1 ARG A 37 -11.566 9.125 -6.299 1.00 0.00 N ATOM 583 NH2 ARG A 37 -9.370 9.643 -5.873 1.00 0.00 N ATOM 0 H ARG A 37 -15.997 12.535 -1.514 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.231 10.429 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.732 11.041 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.105 12.656 -2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.872 11.815 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.439 10.157 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.076 10.296 -4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.705 12.008 -4.861 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.300 11.271 -4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.559 9.274 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.269 8.428 -6.982 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.672 10.190 -5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.076 8.946 -6.557 1.00 0.00 H new ATOM 597 N ASN A 38 -13.405 13.517 -0.082 1.00 0.00 N ATOM 598 CA ASN A 38 -12.467 14.352 0.661 1.00 0.00 C ATOM 599 C ASN A 38 -12.664 14.195 2.168 1.00 0.00 C ATOM 600 O ASN A 38 -11.699 14.186 2.938 1.00 0.00 O ATOM 601 CB ASN A 38 -12.649 15.817 0.265 1.00 0.00 C ATOM 602 CG ASN A 38 -11.611 16.728 0.891 1.00 0.00 C ATOM 603 OD1 ASN A 38 -10.472 16.325 1.132 1.00 0.00 O ATOM 604 ND2 ASN A 38 -12.000 17.965 1.157 1.00 0.00 N ATOM 0 H ASN A 38 -14.204 14.021 -0.466 1.00 0.00 H new ATOM 0 HA ASN A 38 -11.455 14.030 0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -12.596 15.905 -0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -13.644 16.148 0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.347 18.626 1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.953 18.257 0.941 1.00 0.00 H new ATOM 611 N ASP A 39 -13.916 14.074 2.578 1.00 0.00 N ATOM 612 CA ASP A 39 -14.265 14.029 3.993 1.00 0.00 C ATOM 613 C ASP A 39 -13.993 12.653 4.597 1.00 0.00 C ATOM 614 O ASP A 39 -13.226 12.524 5.548 1.00 0.00 O ATOM 615 CB ASP A 39 -15.742 14.394 4.172 1.00 0.00 C ATOM 616 CG ASP A 39 -16.120 14.674 5.613 1.00 0.00 C ATOM 617 OD1 ASP A 39 -16.039 15.847 6.033 1.00 0.00 O ATOM 618 OD2 ASP A 39 -16.531 13.733 6.322 1.00 0.00 O ATOM 0 H ASP A 39 -14.715 14.005 1.947 1.00 0.00 H new ATOM 0 HA ASP A 39 -13.640 14.752 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -15.968 15.272 3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.359 13.579 3.794 1.00 0.00 H new ATOM 623 N MET A 40 -14.609 11.623 4.036 1.00 0.00 N ATOM 624 CA MET A 40 -14.524 10.288 4.620 1.00 0.00 C ATOM 625 C MET A 40 -13.588 9.381 3.832 1.00 0.00 C ATOM 626 O MET A 40 -13.292 8.268 4.262 1.00 0.00 O ATOM 627 CB MET A 40 -15.912 9.651 4.705 1.00 0.00 C ATOM 628 CG MET A 40 -16.875 10.414 5.598 1.00 0.00 C ATOM 629 SD MET A 40 -18.500 9.640 5.694 1.00 0.00 S ATOM 630 CE MET A 40 -18.085 8.061 6.433 1.00 0.00 C ATOM 0 H MET A 40 -15.169 11.682 3.185 1.00 0.00 H new ATOM 0 HA MET A 40 -14.115 10.401 5.624 1.00 0.00 H new ATOM 0 HB2 MET A 40 -16.334 9.584 3.702 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.813 8.632 5.078 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.453 10.488 6.600 1.00 0.00 H new ATOM 0 HG3 MET A 40 -16.984 11.431 5.222 1.00 0.00 H new ATOM 0 HE1 MET A 40 -18.950 7.671 6.969 1.00 0.00 H new ATOM 0 HE2 MET A 40 -17.796 7.358 5.652 1.00 0.00 H new ATOM 0 HE3 MET A 40 -17.256 8.191 7.129 1.00 0.00 H new ATOM 640 N ILE A 41 -13.116 9.883 2.691 1.00 0.00 N ATOM 641 CA ILE A 41 -12.225 9.135 1.800 1.00 0.00 C ATOM 642 C ILE A 41 -12.993 8.066 1.025 1.00 0.00 C ATOM 643 O ILE A 41 -13.591 7.163 1.603 1.00 0.00 O ATOM 644 CB ILE A 41 -11.020 8.488 2.547 1.00 0.00 C ATOM 645 CG1 ILE A 41 -9.958 9.535 2.906 1.00 0.00 C ATOM 646 CG2 ILE A 41 -10.386 7.381 1.713 1.00 0.00 C ATOM 647 CD1 ILE A 41 -10.393 10.540 3.947 1.00 0.00 C ATOM 0 H ILE A 41 -13.340 10.820 2.357 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.818 9.865 1.100 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.410 8.056 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.067 9.021 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.673 10.070 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.548 6.948 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.127 6.607 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.029 7.795 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.580 11.241 4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.264 11.085 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.649 10.020 4.870 1.00 0.00 H new ATOM 659 N SER A 42 -12.982 8.180 -0.294 1.00 0.00 N ATOM 660 CA SER A 42 -13.651 7.203 -1.132 1.00 0.00 C ATOM 661 C SER A 42 -12.676 6.142 -1.606 1.00 0.00 C ATOM 662 O SER A 42 -12.234 6.142 -2.760 1.00 0.00 O ATOM 663 CB SER A 42 -14.313 7.865 -2.326 1.00 0.00 C ATOM 664 OG SER A 42 -15.332 8.757 -1.910 1.00 0.00 O ATOM 0 H SER A 42 -12.520 8.934 -0.802 1.00 0.00 H new ATOM 0 HA SER A 42 -14.424 6.728 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.566 8.406 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.736 7.103 -2.981 1.00 0.00 H new ATOM 0 HG SER A 42 -15.924 8.304 -1.274 1.00 0.00 H new ATOM 670 N TYR A 43 -12.335 5.250 -0.705 1.00 0.00 N ATOM 671 CA TYR A 43 -11.471 4.141 -1.025 1.00 0.00 C ATOM 672 C TYR A 43 -12.205 2.825 -0.787 1.00 0.00 C ATOM 673 O TYR A 43 -12.986 2.699 0.159 1.00 0.00 O ATOM 674 CB TYR A 43 -10.205 4.235 -0.182 1.00 0.00 C ATOM 675 CG TYR A 43 -9.343 2.997 -0.226 1.00 0.00 C ATOM 676 CD1 TYR A 43 -9.224 2.177 0.886 1.00 0.00 C ATOM 677 CD2 TYR A 43 -8.658 2.640 -1.381 1.00 0.00 C ATOM 678 CE1 TYR A 43 -8.453 1.036 0.849 1.00 0.00 C ATOM 679 CE2 TYR A 43 -7.881 1.499 -1.425 1.00 0.00 C ATOM 680 CZ TYR A 43 -7.783 0.702 -0.307 1.00 0.00 C ATOM 681 OH TYR A 43 -7.025 -0.443 -0.342 1.00 0.00 O ATOM 0 H TYR A 43 -12.648 5.273 0.266 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.189 4.177 -2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.617 5.087 -0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.484 4.434 0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.744 2.437 1.796 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.734 3.265 -2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -8.374 0.406 1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.354 1.234 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.709 -0.598 -1.256 1.00 0.00 H new ATOM 691 N LYS A 44 -11.967 1.862 -1.664 1.00 0.00 N ATOM 692 CA LYS A 44 -12.657 0.582 -1.611 1.00 0.00 C ATOM 693 C LYS A 44 -12.026 -0.352 -0.589 1.00 0.00 C ATOM 694 O LYS A 44 -10.807 -0.480 -0.512 1.00 0.00 O ATOM 695 CB LYS A 44 -12.624 -0.087 -2.986 1.00 0.00 C ATOM 696 CG LYS A 44 -13.369 0.675 -4.066 1.00 0.00 C ATOM 697 CD LYS A 44 -13.184 0.028 -5.428 1.00 0.00 C ATOM 698 CE LYS A 44 -13.980 0.748 -6.504 1.00 0.00 C ATOM 699 NZ LYS A 44 -13.629 2.192 -6.591 1.00 0.00 N ATOM 0 H LYS A 44 -11.295 1.944 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.687 0.776 -1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.585 -0.209 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.051 -1.086 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.430 0.713 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.012 1.705 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.127 0.033 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.496 -1.015 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.798 0.273 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.045 0.647 -6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.079 2.609 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.966 2.683 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.597 2.295 -6.664 1.00 0.00 H new ATOM 713 N GLU A 45 -12.878 -1.031 0.172 1.00 0.00 N ATOM 714 CA GLU A 45 -12.438 -2.058 1.107 1.00 0.00 C ATOM 715 C GLU A 45 -11.909 -3.267 0.335 1.00 0.00 C ATOM 716 O GLU A 45 -11.281 -4.167 0.894 1.00 0.00 O ATOM 717 CB GLU A 45 -13.588 -2.470 2.020 1.00 0.00 C ATOM 718 CG GLU A 45 -13.220 -3.560 3.012 1.00 0.00 C ATOM 719 CD GLU A 45 -12.120 -3.166 3.981 1.00 0.00 C ATOM 720 OE1 GLU A 45 -12.357 -3.241 5.204 1.00 0.00 O ATOM 721 OE2 GLU A 45 -11.016 -2.789 3.534 1.00 0.00 O ATOM 0 H GLU A 45 -13.887 -0.885 0.158 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.636 -1.656 1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.936 -1.595 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.421 -2.815 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.109 -3.836 3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.905 -4.447 2.462 1.00 0.00 H new ATOM 728 N ASN A 46 -12.160 -3.267 -0.968 1.00 0.00 N ATOM 729 CA ASN A 46 -11.695 -4.335 -1.842 1.00 0.00 C ATOM 730 C ASN A 46 -10.174 -4.400 -1.870 1.00 0.00 C ATOM 731 O ASN A 46 -9.597 -5.426 -2.221 1.00 0.00 O ATOM 732 CB ASN A 46 -12.209 -4.139 -3.273 1.00 0.00 C ATOM 733 CG ASN A 46 -13.714 -4.283 -3.400 1.00 0.00 C ATOM 734 OD1 ASN A 46 -14.465 -3.990 -2.470 1.00 0.00 O ATOM 735 ND2 ASN A 46 -14.165 -4.734 -4.557 1.00 0.00 N ATOM 0 H ASN A 46 -12.686 -2.535 -1.444 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.088 -5.269 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.916 -3.150 -3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.726 -4.865 -3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -15.168 -4.850 -4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.510 -4.966 -5.304 1.00 0.00 H new ATOM 742 N GLY A 47 -9.525 -3.302 -1.489 1.00 0.00 N ATOM 743 CA GLY A 47 -8.080 -3.250 -1.553 1.00 0.00 C ATOM 744 C GLY A 47 -7.609 -3.144 -2.983 1.00 0.00 C ATOM 745 O GLY A 47 -6.519 -3.598 -3.326 1.00 0.00 O ATOM 0 H GLY A 47 -9.973 -2.455 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.717 -2.396 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.659 -4.144 -1.092 1.00 0.00 H new ATOM 749 N ASP A 48 -8.460 -2.548 -3.812 1.00 0.00 N ATOM 750 CA ASP A 48 -8.288 -2.535 -5.254 1.00 0.00 C ATOM 751 C ASP A 48 -6.895 -2.072 -5.673 1.00 0.00 C ATOM 752 O ASP A 48 -6.240 -2.741 -6.475 1.00 0.00 O ATOM 753 CB ASP A 48 -9.368 -1.663 -5.900 1.00 0.00 C ATOM 754 CG ASP A 48 -9.321 -0.216 -5.457 1.00 0.00 C ATOM 755 OD1 ASP A 48 -9.668 0.066 -4.292 1.00 0.00 O ATOM 756 OD2 ASP A 48 -8.952 0.646 -6.279 1.00 0.00 O ATOM 0 H ASP A 48 -9.296 -2.057 -3.495 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.393 -3.561 -5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.259 -1.707 -6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.348 -2.076 -5.661 1.00 0.00 H new ATOM 761 N VAL A 49 -6.427 -0.949 -5.147 1.00 0.00 N ATOM 762 CA VAL A 49 -5.112 -0.474 -5.483 1.00 0.00 C ATOM 763 C VAL A 49 -4.143 -0.663 -4.312 1.00 0.00 C ATOM 764 O VAL A 49 -4.002 0.196 -3.438 1.00 0.00 O ATOM 765 CB VAL A 49 -5.167 1.000 -5.927 1.00 0.00 C ATOM 766 CG1 VAL A 49 -5.836 1.115 -7.289 1.00 0.00 C ATOM 767 CG2 VAL A 49 -5.902 1.870 -4.907 1.00 0.00 C ATOM 0 H VAL A 49 -6.941 -0.361 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.738 -1.066 -6.318 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.141 1.362 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.869 2.162 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.268 0.543 -8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.851 0.723 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.920 2.903 -5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.924 1.509 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.387 1.820 -3.948 1.00 0.00 H new ATOM 777 N HIS A 50 -3.462 -1.796 -4.325 1.00 0.00 N ATOM 778 CA HIS A 50 -2.517 -2.155 -3.282 1.00 0.00 C ATOM 779 C HIS A 50 -1.236 -2.660 -3.928 1.00 0.00 C ATOM 780 O HIS A 50 -1.172 -3.793 -4.403 1.00 0.00 O ATOM 781 CB HIS A 50 -3.124 -3.233 -2.373 1.00 0.00 C ATOM 782 CG HIS A 50 -2.269 -3.625 -1.202 1.00 0.00 C ATOM 783 ND1 HIS A 50 -2.599 -3.332 0.102 1.00 0.00 N ATOM 784 CD2 HIS A 50 -1.113 -4.326 -1.140 1.00 0.00 C ATOM 785 CE1 HIS A 50 -1.689 -3.834 0.909 1.00 0.00 C ATOM 786 NE2 HIS A 50 -0.774 -4.446 0.184 1.00 0.00 N ATOM 0 H HIS A 50 -3.549 -2.495 -5.062 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.291 -1.281 -2.671 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -4.084 -2.876 -2.000 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.325 -4.122 -2.971 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -3.422 -2.807 0.397 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.559 -4.719 -1.979 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.691 -3.757 1.986 1.00 0.00 H new ATOM 795 N VAL A 51 -0.228 -1.814 -3.957 1.00 0.00 N ATOM 796 CA VAL A 51 1.024 -2.145 -4.615 1.00 0.00 C ATOM 797 C VAL A 51 2.181 -2.108 -3.625 1.00 0.00 C ATOM 798 O VAL A 51 2.212 -1.266 -2.723 1.00 0.00 O ATOM 799 CB VAL A 51 1.310 -1.168 -5.776 1.00 0.00 C ATOM 800 CG1 VAL A 51 0.307 -1.334 -6.898 1.00 0.00 C ATOM 801 CG2 VAL A 51 1.269 0.250 -5.288 1.00 0.00 C ATOM 0 H VAL A 51 -0.249 -0.887 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 51 0.929 -3.154 -5.015 1.00 0.00 H new ATOM 0 HB VAL A 51 2.304 -1.399 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.537 -0.631 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.357 -2.352 -7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.697 -1.138 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.473 0.926 -6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.282 0.465 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.022 0.390 -4.513 1.00 0.00 H new ATOM 811 N LEU A 52 3.118 -3.033 -3.772 1.00 0.00 N ATOM 812 CA LEU A 52 4.302 -3.040 -2.930 1.00 0.00 C ATOM 813 C LEU A 52 5.474 -2.456 -3.700 1.00 0.00 C ATOM 814 O LEU A 52 5.715 -2.826 -4.849 1.00 0.00 O ATOM 815 CB LEU A 52 4.640 -4.451 -2.436 1.00 0.00 C ATOM 816 CG LEU A 52 3.456 -5.261 -1.906 1.00 0.00 C ATOM 817 CD1 LEU A 52 3.918 -6.634 -1.456 1.00 0.00 C ATOM 818 CD2 LEU A 52 2.772 -4.529 -0.763 1.00 0.00 C ATOM 0 H LEU A 52 3.081 -3.783 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 52 4.098 -2.429 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.099 -5.004 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.387 -4.372 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 52 2.733 -5.383 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.065 -7.200 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.362 -7.163 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.659 -6.527 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.933 -5.123 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.484 -4.375 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.408 -3.564 -1.115 1.00 0.00 H new ATOM 830 N THR A 53 6.195 -1.544 -3.075 1.00 0.00 N ATOM 831 CA THR A 53 7.264 -0.834 -3.750 1.00 0.00 C ATOM 832 C THR A 53 8.322 -0.381 -2.744 1.00 0.00 C ATOM 833 O THR A 53 8.286 -0.782 -1.583 1.00 0.00 O ATOM 834 CB THR A 53 6.706 0.377 -4.533 1.00 0.00 C ATOM 835 OG1 THR A 53 7.727 0.964 -5.350 1.00 0.00 O ATOM 836 CG2 THR A 53 6.146 1.429 -3.590 1.00 0.00 C ATOM 0 H THR A 53 6.059 -1.278 -2.100 1.00 0.00 H new ATOM 0 HA THR A 53 7.732 -1.514 -4.462 1.00 0.00 H new ATOM 0 HB THR A 53 5.900 0.013 -5.170 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.917 1.872 -5.034 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.761 2.268 -4.169 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.339 0.995 -2.999 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.936 1.779 -2.925 1.00 0.00 H new ATOM 844 N ILE A 54 9.253 0.441 -3.203 1.00 0.00 N ATOM 845 CA ILE A 54 10.387 0.877 -2.402 1.00 0.00 C ATOM 846 C ILE A 54 10.309 2.386 -2.110 1.00 0.00 C ATOM 847 O ILE A 54 9.933 3.177 -2.974 1.00 0.00 O ATOM 848 CB ILE A 54 11.710 0.478 -3.121 1.00 0.00 C ATOM 849 CG1 ILE A 54 12.339 -0.733 -2.434 1.00 0.00 C ATOM 850 CG2 ILE A 54 12.717 1.615 -3.186 1.00 0.00 C ATOM 851 CD1 ILE A 54 13.389 -1.419 -3.277 1.00 0.00 C ATOM 0 H ILE A 54 9.243 0.827 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 54 10.364 0.377 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 54 11.444 0.228 -4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.789 -0.416 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.556 -1.450 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.617 1.275 -3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.284 2.454 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 54 12.973 1.933 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.795 -2.270 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.939 -1.766 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 54 14.191 -0.716 -3.502 1.00 0.00 H new ATOM 863 N CYS A 55 10.634 2.761 -0.866 1.00 0.00 N ATOM 864 CA CYS A 55 10.583 4.153 -0.407 1.00 0.00 C ATOM 865 C CYS A 55 11.723 4.964 -1.015 1.00 0.00 C ATOM 866 O CYS A 55 12.452 4.487 -1.883 1.00 0.00 O ATOM 867 CB CYS A 55 10.725 4.267 1.122 1.00 0.00 C ATOM 868 SG CYS A 55 9.936 2.981 2.111 1.00 0.00 S ATOM 0 H CYS A 55 10.941 2.104 -0.148 1.00 0.00 H new ATOM 0 HA CYS A 55 9.611 4.535 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.788 4.278 1.364 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.318 5.230 1.430 1.00 0.00 H new ATOM 873 N GLU A 56 11.893 6.182 -0.528 1.00 0.00 N ATOM 874 CA GLU A 56 13.044 6.987 -0.877 1.00 0.00 C ATOM 875 C GLU A 56 14.221 6.490 -0.046 1.00 0.00 C ATOM 876 O GLU A 56 15.378 6.514 -0.470 1.00 0.00 O ATOM 877 CB GLU A 56 12.748 8.460 -0.574 1.00 0.00 C ATOM 878 CG GLU A 56 13.893 9.406 -0.875 1.00 0.00 C ATOM 879 CD GLU A 56 13.654 10.789 -0.308 1.00 0.00 C ATOM 880 OE1 GLU A 56 13.815 10.965 0.916 1.00 0.00 O ATOM 881 OE2 GLU A 56 13.302 11.710 -1.076 1.00 0.00 O ATOM 0 H GLU A 56 11.242 6.634 0.114 1.00 0.00 H new ATOM 0 HA GLU A 56 13.277 6.902 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.877 8.769 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.482 8.555 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.816 9.000 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.031 9.476 -1.954 1.00 0.00 H new ATOM 888 N ASP A 57 13.871 5.982 1.130 1.00 0.00 N ATOM 889 CA ASP A 57 14.831 5.545 2.129 1.00 0.00 C ATOM 890 C ASP A 57 15.557 4.257 1.708 1.00 0.00 C ATOM 891 O ASP A 57 16.786 4.201 1.733 1.00 0.00 O ATOM 892 CB ASP A 57 14.103 5.361 3.476 1.00 0.00 C ATOM 893 CG ASP A 57 13.757 3.919 3.810 1.00 0.00 C ATOM 894 OD1 ASP A 57 14.483 3.305 4.619 1.00 0.00 O ATOM 895 OD2 ASP A 57 12.762 3.396 3.258 1.00 0.00 O ATOM 0 H ASP A 57 12.900 5.862 1.417 1.00 0.00 H new ATOM 0 HA ASP A 57 15.601 6.310 2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.729 5.766 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.185 5.949 3.462 1.00 0.00 H new ATOM 900 N CYS A 58 14.808 3.236 1.304 1.00 0.00 N ATOM 901 CA CYS A 58 15.405 1.967 0.919 1.00 0.00 C ATOM 902 C CYS A 58 16.065 2.078 -0.452 1.00 0.00 C ATOM 903 O CYS A 58 17.102 1.471 -0.683 1.00 0.00 O ATOM 904 CB CYS A 58 14.360 0.843 0.951 1.00 0.00 C ATOM 905 SG CYS A 58 12.762 1.329 0.295 1.00 0.00 S ATOM 0 H CYS A 58 13.791 3.264 1.236 1.00 0.00 H new ATOM 0 HA CYS A 58 16.181 1.716 1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 58 14.735 -0.006 0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 58 14.234 0.505 1.980 1.00 0.00 H new ATOM 910 N GLN A 59 15.474 2.877 -1.349 1.00 0.00 N ATOM 911 CA GLN A 59 16.043 3.094 -2.686 1.00 0.00 C ATOM 912 C GLN A 59 17.444 3.676 -2.569 1.00 0.00 C ATOM 913 O GLN A 59 18.322 3.378 -3.365 1.00 0.00 O ATOM 914 CB GLN A 59 15.154 4.035 -3.518 1.00 0.00 C ATOM 915 CG GLN A 59 15.412 3.975 -5.030 1.00 0.00 C ATOM 916 CD GLN A 59 16.686 4.667 -5.504 1.00 0.00 C ATOM 917 OE1 GLN A 59 17.346 4.185 -6.425 1.00 0.00 O ATOM 918 NE2 GLN A 59 17.011 5.825 -4.944 1.00 0.00 N ATOM 0 H GLN A 59 14.605 3.382 -1.175 1.00 0.00 H new ATOM 0 HA GLN A 59 16.093 2.131 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.109 3.789 -3.330 1.00 0.00 H new ATOM 0 HB3 GLN A 59 15.308 5.058 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 59 15.453 2.929 -5.333 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.562 4.423 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.445 6.200 -4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.827 6.340 -5.275 1.00 0.00 H new ATOM 927 N GLU A 60 17.637 4.502 -1.561 1.00 0.00 N ATOM 928 CA GLU A 60 18.907 5.170 -1.344 1.00 0.00 C ATOM 929 C GLU A 60 19.971 4.171 -0.929 1.00 0.00 C ATOM 930 O GLU A 60 21.054 4.130 -1.502 1.00 0.00 O ATOM 931 CB GLU A 60 18.724 6.215 -0.259 1.00 0.00 C ATOM 932 CG GLU A 60 19.559 7.477 -0.431 1.00 0.00 C ATOM 933 CD GLU A 60 21.004 7.295 -0.017 1.00 0.00 C ATOM 934 OE1 GLU A 60 21.889 7.359 -0.891 1.00 0.00 O ATOM 935 OE2 GLU A 60 21.260 7.104 1.191 1.00 0.00 O ATOM 0 H GLU A 60 16.922 4.730 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 60 19.232 5.645 -2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.672 6.497 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.968 5.764 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.523 7.790 -1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.117 8.281 0.158 1.00 0.00 H new ATOM 942 N ALA A 61 19.634 3.345 0.053 1.00 0.00 N ATOM 943 CA ALA A 61 20.533 2.303 0.514 1.00 0.00 C ATOM 944 C ALA A 61 20.760 1.339 -0.626 1.00 0.00 C ATOM 945 O ALA A 61 21.807 0.705 -0.747 1.00 0.00 O ATOM 946 CB ALA A 61 19.949 1.581 1.717 1.00 0.00 C ATOM 0 H ALA A 61 18.741 3.379 0.545 1.00 0.00 H new ATOM 0 HA ALA A 61 21.481 2.742 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 61 20.639 0.804 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.791 2.293 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.997 1.127 1.442 1.00 0.00 H new ATOM 952 N LEU A 62 19.740 1.246 -1.453 1.00 0.00 N ATOM 953 CA LEU A 62 19.741 0.376 -2.591 1.00 0.00 C ATOM 954 C LEU A 62 20.721 0.848 -3.657 1.00 0.00 C ATOM 955 O LEU A 62 21.643 0.130 -4.037 1.00 0.00 O ATOM 956 CB LEU A 62 18.342 0.344 -3.174 1.00 0.00 C ATOM 957 CG LEU A 62 17.804 -1.049 -3.340 1.00 0.00 C ATOM 958 CD1 LEU A 62 17.126 -1.524 -2.066 1.00 0.00 C ATOM 959 CD2 LEU A 62 16.871 -1.148 -4.533 1.00 0.00 C ATOM 0 H LEU A 62 18.880 1.783 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 62 20.052 -0.618 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.672 0.911 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.347 0.843 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 62 18.649 -1.709 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.745 -2.535 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.846 -1.522 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 62 16.299 -0.856 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.501 -2.170 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.030 -0.469 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.411 -0.877 -5.440 1.00 0.00 H new ATOM 971 N ASP A 63 20.495 2.060 -4.124 1.00 0.00 N ATOM 972 CA ASP A 63 21.278 2.657 -5.200 1.00 0.00 C ATOM 973 C ASP A 63 22.705 2.976 -4.741 1.00 0.00 C ATOM 974 O ASP A 63 23.650 2.906 -5.527 1.00 0.00 O ATOM 975 CB ASP A 63 20.556 3.916 -5.708 1.00 0.00 C ATOM 976 CG ASP A 63 21.255 4.584 -6.874 1.00 0.00 C ATOM 977 OD1 ASP A 63 22.250 5.302 -6.654 1.00 0.00 O ATOM 978 OD2 ASP A 63 20.796 4.407 -8.022 1.00 0.00 O ATOM 0 H ASP A 63 19.757 2.668 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 63 21.365 1.942 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.543 3.648 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.469 4.630 -4.889 1.00 0.00 H new ATOM 983 N ARG A 64 22.857 3.313 -3.466 1.00 0.00 N ATOM 984 CA ARG A 64 24.174 3.569 -2.885 1.00 0.00 C ATOM 985 C ARG A 64 24.944 2.261 -2.719 1.00 0.00 C ATOM 986 O ARG A 64 26.147 2.205 -2.979 1.00 0.00 O ATOM 987 CB ARG A 64 24.017 4.247 -1.519 1.00 0.00 C ATOM 988 CG ARG A 64 25.326 4.591 -0.825 1.00 0.00 C ATOM 989 CD ARG A 64 26.011 5.780 -1.473 1.00 0.00 C ATOM 990 NE ARG A 64 27.171 6.219 -0.702 1.00 0.00 N ATOM 991 CZ ARG A 64 27.709 7.434 -0.796 1.00 0.00 C ATOM 992 NH1 ARG A 64 27.202 8.326 -1.638 1.00 0.00 N ATOM 993 NH2 ARG A 64 28.753 7.756 -0.041 1.00 0.00 N ATOM 0 H ARG A 64 22.082 3.416 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 64 24.729 4.225 -3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.438 5.162 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.438 3.592 -0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.134 4.810 0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 64 25.991 3.728 -0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.324 5.514 -2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.302 6.603 -1.565 1.00 0.00 H new ATOM 0 HE ARG A 64 27.594 5.556 -0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 64 26.398 8.082 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 64 27.617 9.255 -1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 64 29.142 7.073 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 64 29.166 8.686 -0.112 1.00 0.00 H new ATOM 1007 N ASN A 65 24.215 1.224 -2.300 1.00 0.00 N ATOM 1008 CA ASN A 65 24.760 -0.113 -2.009 1.00 0.00 C ATOM 1009 C ASN A 65 26.149 -0.087 -1.370 1.00 0.00 C ATOM 1010 O ASN A 65 27.157 -0.443 -1.983 1.00 0.00 O ATOM 1011 CB ASN A 65 24.725 -1.026 -3.240 1.00 0.00 C ATOM 1012 CG ASN A 65 25.472 -0.502 -4.460 1.00 0.00 C ATOM 1013 OD1 ASN A 65 26.724 -0.906 -4.615 1.00 0.00 O flip ATOM 1014 ND2 ASN A 65 24.917 0.236 -5.273 1.00 0.00 N flip ATOM 0 H ASN A 65 23.208 1.287 -2.149 1.00 0.00 H new ATOM 0 HA ASN A 65 24.095 -0.538 -1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 65 25.144 -1.994 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 65 23.684 -1.196 -3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 65 23.951 0.527 -5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 65 25.423 0.557 -6.099 1.00 0.00 H new ATOM 1021 N PRO A 66 26.208 0.338 -0.108 1.00 0.00 N ATOM 1022 CA PRO A 66 27.426 0.302 0.691 1.00 0.00 C ATOM 1023 C PRO A 66 27.691 -1.107 1.212 1.00 0.00 C ATOM 1024 O PRO A 66 28.716 -1.717 0.904 1.00 0.00 O ATOM 1025 CB PRO A 66 27.128 1.265 1.851 1.00 0.00 C ATOM 1026 CG PRO A 66 25.784 1.860 1.552 1.00 0.00 C ATOM 1027 CD PRO A 66 25.092 0.902 0.643 1.00 0.00 C ATOM 0 HA PRO A 66 28.313 0.584 0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 66 27.119 0.737 2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 66 27.892 2.040 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 66 25.212 2.008 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 66 25.888 2.837 1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 66 24.544 0.138 1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 66 24.374 1.402 -0.007 1.00 0.00 H new ATOM 1035 N HIS A 67 26.749 -1.616 1.996 1.00 0.00 N ATOM 1036 CA HIS A 67 26.790 -2.990 2.479 1.00 0.00 C ATOM 1037 C HIS A 67 25.363 -3.479 2.700 1.00 0.00 C ATOM 1038 O HIS A 67 25.066 -4.195 3.656 1.00 0.00 O ATOM 1039 CB HIS A 67 27.625 -3.110 3.770 1.00 0.00 C ATOM 1040 CG HIS A 67 27.078 -2.354 4.945 1.00 0.00 C ATOM 1041 ND1 HIS A 67 26.389 -2.962 5.974 1.00 0.00 N ATOM 1042 CD2 HIS A 67 27.131 -1.040 5.258 1.00 0.00 C ATOM 1043 CE1 HIS A 67 26.042 -2.053 6.866 1.00 0.00 C ATOM 1044 NE2 HIS A 67 26.481 -0.880 6.453 1.00 0.00 N ATOM 0 H HIS A 67 25.936 -1.089 2.314 1.00 0.00 H new ATOM 0 HA HIS A 67 27.276 -3.616 1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 67 27.704 -4.163 4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 67 28.636 -2.756 3.567 1.00 0.00 H new ATOM 0 HD2 HIS A 67 27.599 -0.261 4.674 1.00 0.00 H new ATOM 0 HE1 HIS A 67 25.493 -2.238 7.777 1.00 0.00 H new ATOM 0 HE2 HIS A 67 26.356 0.005 6.945 1.00 0.00 H new ATOM 1053 N TYR A 68 24.487 -3.086 1.792 1.00 0.00 N ATOM 1054 CA TYR A 68 23.069 -3.367 1.924 1.00 0.00 C ATOM 1055 C TYR A 68 22.647 -4.434 0.926 1.00 0.00 C ATOM 1056 O TYR A 68 22.262 -5.540 1.303 1.00 0.00 O ATOM 1057 CB TYR A 68 22.251 -2.090 1.712 1.00 0.00 C ATOM 1058 CG TYR A 68 20.772 -2.268 1.964 1.00 0.00 C ATOM 1059 CD1 TYR A 68 20.277 -2.323 3.260 1.00 0.00 C ATOM 1060 CD2 TYR A 68 19.873 -2.380 0.912 1.00 0.00 C ATOM 1061 CE1 TYR A 68 18.927 -2.488 3.500 1.00 0.00 C ATOM 1062 CE2 TYR A 68 18.521 -2.544 1.145 1.00 0.00 C ATOM 1063 CZ TYR A 68 18.054 -2.598 2.439 1.00 0.00 C ATOM 1064 OH TYR A 68 16.706 -2.761 2.673 1.00 0.00 O ATOM 0 H TYR A 68 24.736 -2.568 0.950 1.00 0.00 H new ATOM 0 HA TYR A 68 22.881 -3.738 2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 68 22.632 -1.311 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 68 22.397 -1.741 0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 68 20.958 -2.235 4.093 1.00 0.00 H new ATOM 0 HD2 TYR A 68 20.236 -2.338 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 68 18.557 -2.531 4.514 1.00 0.00 H new ATOM 0 HE2 TYR A 68 17.834 -2.629 0.316 1.00 0.00 H new ATOM 0 HH TYR A 68 16.230 -2.821 1.818 1.00 0.00 H new ATOM 1074 N HIS A 69 22.749 -4.096 -0.345 1.00 0.00 N ATOM 1075 CA HIS A 69 22.375 -5.003 -1.418 1.00 0.00 C ATOM 1076 C HIS A 69 23.056 -4.560 -2.705 1.00 0.00 C ATOM 1077 O HIS A 69 22.440 -3.924 -3.562 1.00 0.00 O ATOM 1078 CB HIS A 69 20.852 -5.028 -1.601 1.00 0.00 C ATOM 1079 CG HIS A 69 20.358 -6.179 -2.426 1.00 0.00 C ATOM 1080 ND1 HIS A 69 20.353 -6.179 -3.803 1.00 0.00 N ATOM 1081 CD2 HIS A 69 19.842 -7.374 -2.052 1.00 0.00 C ATOM 1082 CE1 HIS A 69 19.855 -7.318 -4.240 1.00 0.00 C ATOM 1083 NE2 HIS A 69 19.538 -8.063 -3.199 1.00 0.00 N ATOM 0 H HIS A 69 23.092 -3.190 -0.664 1.00 0.00 H new ATOM 0 HA HIS A 69 22.698 -6.012 -1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 69 20.379 -5.067 -0.620 1.00 0.00 H new ATOM 0 HB3 HIS A 69 20.537 -4.096 -2.070 1.00 0.00 H new ATOM 0 HD2 HIS A 69 19.697 -7.720 -1.039 1.00 0.00 H new ATOM 0 HE1 HIS A 69 19.728 -7.595 -5.276 1.00 0.00 H new ATOM 0 HE2 HIS A 69 19.133 -8.998 -3.240 1.00 0.00 H new ATOM 1092 N GLU A 70 24.335 -4.874 -2.815 1.00 0.00 N ATOM 1093 CA GLU A 70 25.142 -4.456 -3.951 1.00 0.00 C ATOM 1094 C GLU A 70 24.727 -5.226 -5.193 1.00 0.00 C ATOM 1095 O GLU A 70 24.204 -4.642 -6.145 1.00 0.00 O ATOM 1096 CB GLU A 70 26.638 -4.660 -3.664 1.00 0.00 C ATOM 1097 CG GLU A 70 27.176 -3.856 -2.479 1.00 0.00 C ATOM 1098 CD GLU A 70 26.484 -4.179 -1.166 1.00 0.00 C ATOM 1099 OE1 GLU A 70 26.603 -5.333 -0.693 1.00 0.00 O ATOM 1100 OE2 GLU A 70 25.803 -3.291 -0.616 1.00 0.00 O ATOM 0 H GLU A 70 24.843 -5.424 -2.123 1.00 0.00 H new ATOM 0 HA GLU A 70 24.975 -3.393 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 70 26.818 -5.719 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 70 27.205 -4.392 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 70 28.244 -4.047 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 70 27.062 -2.793 -2.689 1.00 0.00 H new ATOM 1107 N TYR A 71 24.944 -6.536 -5.166 1.00 0.00 N ATOM 1108 CA TYR A 71 24.499 -7.419 -6.233 1.00 0.00 C ATOM 1109 C TYR A 71 24.863 -8.858 -5.895 1.00 0.00 C ATOM 1110 O TYR A 71 25.901 -9.116 -5.284 1.00 0.00 O ATOM 1111 CB TYR A 71 25.127 -7.030 -7.577 1.00 0.00 C ATOM 1112 CG TYR A 71 24.236 -7.328 -8.760 1.00 0.00 C ATOM 1113 CD1 TYR A 71 24.072 -8.624 -9.228 1.00 0.00 C ATOM 1114 CD2 TYR A 71 23.542 -6.310 -9.400 1.00 0.00 C ATOM 1115 CE1 TYR A 71 23.246 -8.897 -10.298 1.00 0.00 C ATOM 1116 CE2 TYR A 71 22.716 -6.574 -10.473 1.00 0.00 C ATOM 1117 CZ TYR A 71 22.570 -7.870 -10.918 1.00 0.00 C ATOM 1118 OH TYR A 71 21.740 -8.139 -11.983 1.00 0.00 O ATOM 0 H TYR A 71 25.431 -7.012 -4.407 1.00 0.00 H new ATOM 0 HA TYR A 71 23.417 -7.323 -6.323 1.00 0.00 H new ATOM 0 HB2 TYR A 71 25.362 -5.966 -7.566 1.00 0.00 H new ATOM 0 HB3 TYR A 71 26.070 -7.563 -7.698 1.00 0.00 H new ATOM 0 HD1 TYR A 71 24.601 -9.433 -8.746 1.00 0.00 H new ATOM 0 HD2 TYR A 71 23.651 -5.293 -9.052 1.00 0.00 H new ATOM 0 HE1 TYR A 71 23.130 -9.912 -10.648 1.00 0.00 H new ATOM 0 HE2 TYR A 71 22.187 -5.769 -10.962 1.00 0.00 H new ATOM 0 HH TYR A 71 21.339 -7.304 -12.304 1.00 0.00 H new ATOM 1128 N HIS A 72 24.004 -9.789 -6.276 1.00 0.00 N ATOM 1129 CA HIS A 72 24.270 -11.204 -6.062 1.00 0.00 C ATOM 1130 C HIS A 72 24.811 -11.845 -7.334 1.00 0.00 C ATOM 1131 O HIS A 72 24.117 -12.630 -7.983 1.00 0.00 O ATOM 1132 CB HIS A 72 23.009 -11.941 -5.606 1.00 0.00 C ATOM 1133 CG HIS A 72 22.579 -11.613 -4.210 1.00 0.00 C ATOM 1134 ND1 HIS A 72 23.077 -12.257 -3.099 1.00 0.00 N ATOM 1135 CD2 HIS A 72 21.680 -10.716 -3.749 1.00 0.00 C ATOM 1136 CE1 HIS A 72 22.499 -11.771 -2.017 1.00 0.00 C ATOM 1137 NE2 HIS A 72 21.646 -10.834 -2.382 1.00 0.00 N ATOM 0 H HIS A 72 23.115 -9.591 -6.736 1.00 0.00 H new ATOM 0 HA HIS A 72 25.020 -11.284 -5.275 1.00 0.00 H new ATOM 0 HB2 HIS A 72 22.195 -11.703 -6.291 1.00 0.00 H new ATOM 0 HB3 HIS A 72 23.183 -13.015 -5.678 1.00 0.00 H new ATOM 0 HD2 HIS A 72 21.096 -10.032 -4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 72 22.692 -12.088 -1.003 1.00 0.00 H new ATOM 0 HE2 HIS A 72 21.058 -10.287 -1.753 1.00 0.00 H new ATOM 1146 N THR A 73 26.053 -11.498 -7.673 1.00 0.00 N ATOM 1147 CA THR A 73 26.750 -12.034 -8.847 1.00 0.00 C ATOM 1148 C THR A 73 25.903 -11.946 -10.122 1.00 0.00 C ATOM 1149 O THR A 73 25.244 -12.943 -10.486 1.00 0.00 O ATOM 1150 CB THR A 73 27.230 -13.488 -8.619 1.00 0.00 C ATOM 1151 OG1 THR A 73 26.145 -14.327 -8.201 1.00 0.00 O ATOM 1152 CG2 THR A 73 28.329 -13.532 -7.573 1.00 0.00 C ATOM 1153 OXT THR A 73 25.898 -10.872 -10.756 1.00 0.00 O ATOM 0 H THR A 73 26.610 -10.832 -7.138 1.00 0.00 H new ATOM 0 HA THR A 73 27.627 -11.403 -8.989 1.00 0.00 H new ATOM 0 HB THR A 73 27.620 -13.858 -9.567 1.00 0.00 H new ATOM 0 HG1 THR A 73 25.295 -13.917 -8.464 1.00 0.00 H new ATOM 0 HG21 THR A 73 28.652 -14.563 -7.428 1.00 0.00 H new ATOM 0 HG22 THR A 73 29.174 -12.931 -7.908 1.00 0.00 H new ATOM 0 HG23 THR A 73 27.951 -13.134 -6.631 1.00 0.00 H new TER 1161 THR A 73 HETATM 1162 ZN ZN A 101 11.089 1.021 1.849 1.00 0.00 ZN