USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 8 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.12) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.854 USER MOD Single : A 41 LYS NZ :NH3+ -112:sc= 0.234 (180deg=-0.634) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -93:sc= 0.0601 USER MOD Single : A 50 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.27) USER MOD Single : A 51 THR OG1 : rot 148:sc= 0.862! USER MOD Single : A 57 ASN :FLIP amide:sc= -0.476! C(o=-1.8!,f=-0.48!) USER MOD Single : A 60 CYS SG : rot 51:sc= 0.165 USER MOD Single : A 69 GLN : amide:sc=-0.00732 X(o=-0.0073,f=-0.051) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.02! X(o=-1!,f=-0.67) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0547) USER MOD Single : A 73 THR OG1 : rot -13:sc= 0.577 USER MOD Single : A 75 HIS : no HD1:sc= -0.0715 X(o=-0.072,f=0) USER MOD Single : A 77 THR OG1 : rot 94:sc= 0.0332 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 12.693 30.343 1.832 1.00 0.00 N ATOM 2 CA HIS A 8 12.414 29.218 2.769 1.00 0.00 C ATOM 3 C HIS A 8 11.218 29.578 3.654 1.00 0.00 C ATOM 4 O HIS A 8 10.899 30.735 3.842 1.00 0.00 O ATOM 5 CB HIS A 8 13.641 28.968 3.647 1.00 0.00 C ATOM 6 CG HIS A 8 14.564 28.002 2.956 1.00 0.00 C ATOM 7 ND1 HIS A 8 15.802 27.663 3.476 1.00 0.00 N ATOM 8 CD2 HIS A 8 14.441 27.295 1.786 1.00 0.00 C ATOM 9 CE1 HIS A 8 16.372 26.787 2.628 1.00 0.00 C ATOM 10 NE2 HIS A 8 15.584 26.528 1.580 1.00 0.00 N ATOM 0 HA HIS A 8 12.187 28.317 2.198 1.00 0.00 H new ATOM 0 HB2 HIS A 8 14.159 29.907 3.842 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.334 28.567 4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.587 27.329 1.126 1.00 0.00 H new ATOM 0 HE1 HIS A 8 17.347 26.347 2.776 1.00 0.00 H new ATOM 0 HE2 HIS A 8 15.778 25.903 0.798 1.00 0.00 H new ATOM 20 N MET A 9 10.553 28.595 4.197 1.00 0.00 N ATOM 21 CA MET A 9 9.379 28.880 5.069 1.00 0.00 C ATOM 22 C MET A 9 9.486 28.056 6.354 1.00 0.00 C ATOM 23 O MET A 9 9.285 26.859 6.354 1.00 0.00 O ATOM 24 CB MET A 9 8.093 28.507 4.329 1.00 0.00 C ATOM 25 CG MET A 9 7.274 29.771 4.058 1.00 0.00 C ATOM 26 SD MET A 9 5.523 29.335 3.918 1.00 0.00 S ATOM 27 CE MET A 9 5.506 29.033 2.134 1.00 0.00 C ATOM 0 H MET A 9 10.772 27.606 4.074 1.00 0.00 H new ATOM 0 HA MET A 9 9.360 29.941 5.319 1.00 0.00 H new ATOM 0 HB2 MET A 9 8.333 28.008 3.390 1.00 0.00 H new ATOM 0 HB3 MET A 9 7.510 27.804 4.923 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.418 30.490 4.864 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.616 30.249 3.140 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.502 28.744 1.823 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.802 29.941 1.608 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.204 28.231 1.894 1.00 0.00 H new ATOM 37 N VAL A 10 9.804 28.690 7.451 1.00 0.00 N ATOM 38 CA VAL A 10 9.924 27.940 8.734 1.00 0.00 C ATOM 39 C VAL A 10 8.732 28.272 9.633 1.00 0.00 C ATOM 40 O VAL A 10 8.868 28.942 10.638 1.00 0.00 O ATOM 41 CB VAL A 10 11.221 28.341 9.438 1.00 0.00 C ATOM 42 CG1 VAL A 10 12.419 27.851 8.622 1.00 0.00 C ATOM 43 CG2 VAL A 10 11.282 29.865 9.564 1.00 0.00 C ATOM 0 H VAL A 10 9.985 29.692 7.514 1.00 0.00 H new ATOM 0 HA VAL A 10 9.937 26.869 8.530 1.00 0.00 H new ATOM 0 HB VAL A 10 11.249 27.891 10.430 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.343 28.137 9.124 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.377 26.766 8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.391 28.301 7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.206 30.152 10.066 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.254 30.314 8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.429 30.216 10.145 1.00 0.00 H new ATOM 53 N GLU A 11 7.564 27.809 9.280 1.00 0.00 N ATOM 54 CA GLU A 11 6.365 28.097 10.116 1.00 0.00 C ATOM 55 C GLU A 11 5.905 26.812 10.806 1.00 0.00 C ATOM 56 O GLU A 11 4.744 26.456 10.765 1.00 0.00 O ATOM 57 CB GLU A 11 5.241 28.631 9.225 1.00 0.00 C ATOM 58 CG GLU A 11 4.208 29.361 10.085 1.00 0.00 C ATOM 59 CD GLU A 11 3.061 29.852 9.200 1.00 0.00 C ATOM 60 OE1 GLU A 11 3.330 30.233 8.073 1.00 0.00 O ATOM 61 OE2 GLU A 11 1.933 29.837 9.665 1.00 0.00 O ATOM 0 H GLU A 11 7.389 27.244 8.449 1.00 0.00 H new ATOM 0 HA GLU A 11 6.616 28.843 10.870 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.649 29.309 8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.767 27.809 8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.825 28.694 10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.674 30.204 10.595 1.00 0.00 H new ATOM 68 N GLU A 12 6.805 26.112 11.439 1.00 0.00 N ATOM 69 CA GLU A 12 6.418 24.850 12.128 1.00 0.00 C ATOM 70 C GLU A 12 6.905 24.888 13.578 1.00 0.00 C ATOM 71 O GLU A 12 7.805 25.629 13.922 1.00 0.00 O ATOM 72 CB GLU A 12 7.057 23.659 11.409 1.00 0.00 C ATOM 73 CG GLU A 12 6.777 23.761 9.908 1.00 0.00 C ATOM 74 CD GLU A 12 5.617 22.835 9.541 1.00 0.00 C ATOM 75 OE1 GLU A 12 4.682 22.750 10.322 1.00 0.00 O ATOM 76 OE2 GLU A 12 5.680 22.229 8.485 1.00 0.00 O ATOM 0 H GLU A 12 7.792 26.360 11.509 1.00 0.00 H new ATOM 0 HA GLU A 12 5.333 24.747 12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.132 23.645 11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.656 22.725 11.802 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.533 24.790 9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.667 23.488 9.342 1.00 0.00 H new ATOM 83 N VAL A 13 6.317 24.096 14.432 1.00 0.00 N ATOM 84 CA VAL A 13 6.746 24.086 15.859 1.00 0.00 C ATOM 85 C VAL A 13 8.206 23.642 15.953 1.00 0.00 C ATOM 86 O VAL A 13 8.894 23.935 16.911 1.00 0.00 O ATOM 87 CB VAL A 13 5.866 23.114 16.647 1.00 0.00 C ATOM 88 CG1 VAL A 13 4.407 23.568 16.572 1.00 0.00 C ATOM 89 CG2 VAL A 13 5.994 21.712 16.048 1.00 0.00 C ATOM 0 H VAL A 13 5.557 23.455 14.203 1.00 0.00 H new ATOM 0 HA VAL A 13 6.646 25.089 16.275 1.00 0.00 H new ATOM 0 HB VAL A 13 6.187 23.097 17.688 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.781 22.875 17.134 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.315 24.567 16.998 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.085 23.586 15.531 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.367 21.018 16.609 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.673 21.731 15.007 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.033 21.387 16.102 1.00 0.00 H new ATOM 99 N LEU A 14 8.687 22.936 14.967 1.00 0.00 N ATOM 100 CA LEU A 14 10.104 22.474 15.003 1.00 0.00 C ATOM 101 C LEU A 14 10.834 22.960 13.749 1.00 0.00 C ATOM 102 O LEU A 14 10.335 22.851 12.647 1.00 0.00 O ATOM 103 CB LEU A 14 10.141 20.945 15.055 1.00 0.00 C ATOM 104 CG LEU A 14 10.493 20.490 16.472 1.00 0.00 C ATOM 105 CD1 LEU A 14 9.211 20.152 17.234 1.00 0.00 C ATOM 106 CD2 LEU A 14 11.386 19.250 16.401 1.00 0.00 C ATOM 0 H LEU A 14 8.161 22.659 14.138 1.00 0.00 H new ATOM 0 HA LEU A 14 10.595 22.880 15.888 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.174 20.537 14.761 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.877 20.564 14.346 1.00 0.00 H new ATOM 0 HG LEU A 14 11.022 21.290 16.990 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.463 19.828 18.244 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.574 21.035 17.285 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.681 19.352 16.718 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.638 18.925 17.410 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.857 18.450 15.883 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.300 19.491 15.859 1.00 0.00 H new ATOM 118 N GLU A 15 12.014 23.495 13.909 1.00 0.00 N ATOM 119 CA GLU A 15 12.775 23.987 12.726 1.00 0.00 C ATOM 120 C GLU A 15 13.603 22.841 12.141 1.00 0.00 C ATOM 121 O GLU A 15 14.745 22.638 12.505 1.00 0.00 O ATOM 122 CB GLU A 15 13.710 25.120 13.157 1.00 0.00 C ATOM 123 CG GLU A 15 14.615 24.634 14.291 1.00 0.00 C ATOM 124 CD GLU A 15 14.247 25.362 15.585 1.00 0.00 C ATOM 125 OE1 GLU A 15 14.408 26.571 15.628 1.00 0.00 O ATOM 126 OE2 GLU A 15 13.812 24.699 16.512 1.00 0.00 O ATOM 0 H GLU A 15 12.483 23.612 14.807 1.00 0.00 H new ATOM 0 HA GLU A 15 12.078 24.355 11.973 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.314 25.448 12.311 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.128 25.981 13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.505 23.558 14.423 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.660 24.819 14.042 1.00 0.00 H new ATOM 133 N GLU A 16 13.038 22.089 11.236 1.00 0.00 N ATOM 134 CA GLU A 16 13.795 20.958 10.630 1.00 0.00 C ATOM 135 C GLU A 16 13.328 20.744 9.190 1.00 0.00 C ATOM 136 O GLU A 16 12.146 20.685 8.911 1.00 0.00 O ATOM 137 CB GLU A 16 13.545 19.685 11.441 1.00 0.00 C ATOM 138 CG GLU A 16 14.777 18.781 11.364 1.00 0.00 C ATOM 139 CD GLU A 16 15.430 18.689 12.744 1.00 0.00 C ATOM 140 OE1 GLU A 16 15.429 19.687 13.446 1.00 0.00 O ATOM 141 OE2 GLU A 16 15.920 17.622 13.076 1.00 0.00 O ATOM 0 H GLU A 16 12.086 22.209 10.891 1.00 0.00 H new ATOM 0 HA GLU A 16 14.860 21.190 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.331 19.939 12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.671 19.161 11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.491 17.788 11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.488 19.178 10.639 1.00 0.00 H new ATOM 148 N GLU A 17 14.246 20.625 8.270 1.00 0.00 N ATOM 149 CA GLU A 17 13.855 20.413 6.849 1.00 0.00 C ATOM 150 C GLU A 17 14.539 19.152 6.318 1.00 0.00 C ATOM 151 O GLU A 17 14.881 18.257 7.066 1.00 0.00 O ATOM 152 CB GLU A 17 14.290 21.620 6.015 1.00 0.00 C ATOM 153 CG GLU A 17 13.248 21.890 4.928 1.00 0.00 C ATOM 154 CD GLU A 17 12.591 23.249 5.176 1.00 0.00 C ATOM 155 OE1 GLU A 17 11.978 23.406 6.219 1.00 0.00 O ATOM 156 OE2 GLU A 17 12.711 24.108 4.319 1.00 0.00 O ATOM 0 H GLU A 17 15.251 20.666 8.442 1.00 0.00 H new ATOM 0 HA GLU A 17 12.773 20.297 6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.400 22.496 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.263 21.431 5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.720 21.876 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.493 21.104 4.930 1.00 0.00 H new ATOM 163 N GLU A 18 14.742 19.072 5.031 1.00 0.00 N ATOM 164 CA GLU A 18 15.405 17.869 4.455 1.00 0.00 C ATOM 165 C GLU A 18 14.765 16.605 5.036 1.00 0.00 C ATOM 166 O GLU A 18 15.438 15.745 5.567 1.00 0.00 O ATOM 167 CB GLU A 18 16.895 17.892 4.803 1.00 0.00 C ATOM 168 CG GLU A 18 17.679 17.107 3.750 1.00 0.00 C ATOM 169 CD GLU A 18 18.791 16.307 4.430 1.00 0.00 C ATOM 170 OE1 GLU A 18 18.738 16.170 5.642 1.00 0.00 O ATOM 171 OE2 GLU A 18 19.676 15.845 3.730 1.00 0.00 O ATOM 0 H GLU A 18 14.477 19.788 4.354 1.00 0.00 H new ATOM 0 HA GLU A 18 15.284 17.872 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 18 17.253 18.921 4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.055 17.457 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.011 16.435 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 18 18.105 17.790 3.015 1.00 0.00 H new ATOM 178 N GLU A 19 13.469 16.488 4.940 1.00 0.00 N ATOM 179 CA GLU A 19 12.788 15.280 5.486 1.00 0.00 C ATOM 180 C GLU A 19 13.440 14.023 4.906 1.00 0.00 C ATOM 181 O GLU A 19 14.458 14.087 4.247 1.00 0.00 O ATOM 182 CB GLU A 19 11.307 15.310 5.102 1.00 0.00 C ATOM 183 CG GLU A 19 10.457 14.918 6.310 1.00 0.00 C ATOM 184 CD GLU A 19 10.146 16.163 7.144 1.00 0.00 C ATOM 185 OE1 GLU A 19 10.970 17.062 7.157 1.00 0.00 O ATOM 186 OE2 GLU A 19 9.090 16.194 7.754 1.00 0.00 O ATOM 0 H GLU A 19 12.853 17.176 4.507 1.00 0.00 H new ATOM 0 HA GLU A 19 12.880 15.271 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.030 16.306 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.121 14.624 4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.531 14.449 5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.987 14.184 6.917 1.00 0.00 H new ATOM 193 N GLU A 20 12.860 12.877 5.146 1.00 0.00 N ATOM 194 CA GLU A 20 13.449 11.619 4.608 1.00 0.00 C ATOM 195 C GLU A 20 12.531 10.442 4.941 1.00 0.00 C ATOM 196 O GLU A 20 11.910 10.401 5.984 1.00 0.00 O ATOM 197 CB GLU A 20 14.823 11.388 5.240 1.00 0.00 C ATOM 198 CG GLU A 20 15.780 10.821 4.191 1.00 0.00 C ATOM 199 CD GLU A 20 16.258 11.949 3.273 1.00 0.00 C ATOM 200 OE1 GLU A 20 17.050 12.759 3.726 1.00 0.00 O ATOM 201 OE2 GLU A 20 15.825 11.982 2.133 1.00 0.00 O ATOM 0 H GLU A 20 12.006 12.759 5.690 1.00 0.00 H new ATOM 0 HA GLU A 20 13.555 11.702 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 20 15.215 12.325 5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.737 10.698 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.633 10.349 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 20 15.280 10.049 3.606 1.00 0.00 H new ATOM 208 N TYR A 21 12.443 9.480 4.062 1.00 0.00 N ATOM 209 CA TYR A 21 11.568 8.304 4.328 1.00 0.00 C ATOM 210 C TYR A 21 10.145 8.780 4.631 1.00 0.00 C ATOM 211 O TYR A 21 9.709 8.782 5.766 1.00 0.00 O ATOM 212 CB TYR A 21 12.112 7.526 5.528 1.00 0.00 C ATOM 213 CG TYR A 21 12.362 6.093 5.125 1.00 0.00 C ATOM 214 CD1 TYR A 21 11.333 5.337 4.549 1.00 0.00 C ATOM 215 CD2 TYR A 21 13.624 5.518 5.329 1.00 0.00 C ATOM 216 CE1 TYR A 21 11.566 4.007 4.174 1.00 0.00 C ATOM 217 CE2 TYR A 21 13.857 4.188 4.956 1.00 0.00 C ATOM 218 CZ TYR A 21 12.828 3.433 4.378 1.00 0.00 C ATOM 219 OH TYR A 21 13.057 2.122 4.010 1.00 0.00 O ATOM 0 H TYR A 21 12.940 9.459 3.171 1.00 0.00 H new ATOM 0 HA TYR A 21 11.553 7.658 3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.036 7.982 5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 21 11.401 7.565 6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 21 10.360 5.779 4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 21 14.417 6.101 5.774 1.00 0.00 H new ATOM 0 HE1 TYR A 21 10.773 3.425 3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 21 14.829 3.745 5.114 1.00 0.00 H new ATOM 0 HH TYR A 21 13.984 1.881 4.219 1.00 0.00 H new ATOM 229 N VAL A 22 9.416 9.182 3.625 1.00 0.00 N ATOM 230 CA VAL A 22 8.023 9.656 3.858 1.00 0.00 C ATOM 231 C VAL A 22 7.050 8.768 3.078 1.00 0.00 C ATOM 232 O VAL A 22 7.379 8.237 2.036 1.00 0.00 O ATOM 233 CB VAL A 22 7.889 11.102 3.379 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.758 11.792 4.145 1.00 0.00 C ATOM 235 CG2 VAL A 22 9.202 11.847 3.633 1.00 0.00 C ATOM 0 H VAL A 22 9.725 9.202 2.653 1.00 0.00 H new ATOM 0 HA VAL A 22 7.793 9.604 4.922 1.00 0.00 H new ATOM 0 HB VAL A 22 7.664 11.111 2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.663 12.823 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.822 11.263 3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.982 11.783 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.107 12.878 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.426 11.837 4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.009 11.357 3.089 1.00 0.00 H new ATOM 245 N VAL A 23 5.854 8.603 3.573 1.00 0.00 N ATOM 246 CA VAL A 23 4.864 7.751 2.860 1.00 0.00 C ATOM 247 C VAL A 23 3.949 8.639 2.016 1.00 0.00 C ATOM 248 O VAL A 23 3.257 9.496 2.528 1.00 0.00 O ATOM 249 CB VAL A 23 4.027 6.977 3.879 1.00 0.00 C ATOM 250 CG1 VAL A 23 2.839 6.321 3.173 1.00 0.00 C ATOM 251 CG2 VAL A 23 4.891 5.894 4.530 1.00 0.00 C ATOM 0 H VAL A 23 5.521 9.022 4.441 1.00 0.00 H new ATOM 0 HA VAL A 23 5.387 7.046 2.214 1.00 0.00 H new ATOM 0 HB VAL A 23 3.662 7.663 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.243 5.769 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.223 7.090 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.204 5.635 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.295 5.341 5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.255 5.210 3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.739 6.359 5.034 1.00 0.00 H new ATOM 261 N GLU A 24 3.942 8.443 0.727 1.00 0.00 N ATOM 262 CA GLU A 24 3.073 9.281 -0.145 1.00 0.00 C ATOM 263 C GLU A 24 1.731 8.579 -0.362 1.00 0.00 C ATOM 264 O GLU A 24 0.706 9.214 -0.511 1.00 0.00 O ATOM 265 CB GLU A 24 3.760 9.497 -1.495 1.00 0.00 C ATOM 266 CG GLU A 24 3.846 10.995 -1.792 1.00 0.00 C ATOM 267 CD GLU A 24 2.774 11.374 -2.816 1.00 0.00 C ATOM 268 OE1 GLU A 24 2.347 10.497 -3.548 1.00 0.00 O ATOM 269 OE2 GLU A 24 2.400 12.535 -2.851 1.00 0.00 O ATOM 0 H GLU A 24 4.499 7.740 0.241 1.00 0.00 H new ATOM 0 HA GLU A 24 2.903 10.245 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.759 9.061 -1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.203 8.991 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.706 11.567 -0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.835 11.244 -2.176 1.00 0.00 H new ATOM 276 N LYS A 25 1.727 7.273 -0.380 1.00 0.00 N ATOM 277 CA LYS A 25 0.448 6.536 -0.587 1.00 0.00 C ATOM 278 C LYS A 25 0.750 5.084 -0.967 1.00 0.00 C ATOM 279 O LYS A 25 1.893 4.682 -1.061 1.00 0.00 O ATOM 280 CB LYS A 25 -0.347 7.200 -1.714 1.00 0.00 C ATOM 281 CG LYS A 25 -1.609 7.844 -1.137 1.00 0.00 C ATOM 282 CD LYS A 25 -2.650 8.009 -2.245 1.00 0.00 C ATOM 283 CE LYS A 25 -2.311 9.240 -3.087 1.00 0.00 C ATOM 284 NZ LYS A 25 -2.751 9.017 -4.493 1.00 0.00 N ATOM 0 H LYS A 25 2.553 6.686 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.135 6.558 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.265 7.954 -2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.616 6.461 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.011 7.226 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.369 8.814 -0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.670 7.119 -2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.644 8.115 -1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.803 10.122 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.238 9.431 -3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.521 9.854 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.262 8.186 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.778 8.855 -4.514 1.00 0.00 H new ATOM 298 N VAL A 26 -0.265 4.294 -1.188 1.00 0.00 N ATOM 299 CA VAL A 26 -0.035 2.869 -1.562 1.00 0.00 C ATOM 300 C VAL A 26 -0.078 2.731 -3.085 1.00 0.00 C ATOM 301 O VAL A 26 -0.777 3.456 -3.765 1.00 0.00 O ATOM 302 CB VAL A 26 -1.125 1.991 -0.943 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.577 0.582 -0.714 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.558 2.586 0.397 1.00 0.00 C ATOM 0 H VAL A 26 -1.244 4.574 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 26 0.940 2.551 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.980 1.946 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.353 -0.043 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.264 0.154 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.278 0.629 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.334 1.961 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.701 2.630 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.947 3.592 0.240 1.00 0.00 H new ATOM 314 N LEU A 27 0.665 1.806 -3.624 1.00 0.00 N ATOM 315 CA LEU A 27 0.670 1.622 -5.103 1.00 0.00 C ATOM 316 C LEU A 27 0.345 0.167 -5.448 1.00 0.00 C ATOM 317 O LEU A 27 -0.090 -0.137 -6.541 1.00 0.00 O ATOM 318 CB LEU A 27 2.051 1.980 -5.656 1.00 0.00 C ATOM 319 CG LEU A 27 1.981 3.334 -6.366 1.00 0.00 C ATOM 320 CD1 LEU A 27 1.046 3.230 -7.573 1.00 0.00 C ATOM 321 CD2 LEU A 27 1.447 4.390 -5.396 1.00 0.00 C ATOM 0 H LEU A 27 1.269 1.169 -3.105 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.083 2.273 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.780 2.019 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.387 1.210 -6.351 1.00 0.00 H new ATOM 0 HG LEU A 27 2.977 3.620 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.996 4.194 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.426 2.477 -8.264 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.049 2.944 -7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.397 5.355 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.451 4.104 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.113 4.464 -4.536 1.00 0.00 H new ATOM 333 N ASP A 28 0.551 -0.741 -4.530 1.00 0.00 N ATOM 334 CA ASP A 28 0.250 -2.171 -4.825 1.00 0.00 C ATOM 335 C ASP A 28 0.043 -2.940 -3.517 1.00 0.00 C ATOM 336 O ASP A 28 0.177 -2.398 -2.438 1.00 0.00 O ATOM 337 CB ASP A 28 1.420 -2.787 -5.596 1.00 0.00 C ATOM 338 CG ASP A 28 0.972 -3.127 -7.018 1.00 0.00 C ATOM 339 OD1 ASP A 28 0.384 -2.267 -7.655 1.00 0.00 O ATOM 340 OD2 ASP A 28 1.223 -4.242 -7.447 1.00 0.00 O ATOM 0 H ASP A 28 0.912 -0.555 -3.595 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.658 -2.231 -5.424 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.258 -2.090 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.770 -3.686 -5.089 1.00 0.00 H new ATOM 345 N ARG A 29 -0.285 -4.201 -3.610 1.00 0.00 N ATOM 346 CA ARG A 29 -0.503 -5.012 -2.379 1.00 0.00 C ATOM 347 C ARG A 29 -0.788 -6.463 -2.772 1.00 0.00 C ATOM 348 O ARG A 29 -1.465 -6.731 -3.744 1.00 0.00 O ATOM 349 CB ARG A 29 -1.697 -4.451 -1.602 1.00 0.00 C ATOM 350 CG ARG A 29 -1.984 -5.341 -0.391 1.00 0.00 C ATOM 351 CD ARG A 29 -3.475 -5.284 -0.057 1.00 0.00 C ATOM 352 NE ARG A 29 -4.179 -6.408 -0.737 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.480 -6.395 -0.842 1.00 0.00 C ATOM 354 NH1 ARG A 29 -6.194 -5.682 -0.014 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.066 -7.096 -1.773 1.00 0.00 N ATOM 0 H ARG A 29 -0.411 -4.705 -4.488 1.00 0.00 H new ATOM 0 HA ARG A 29 0.389 -4.971 -1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.486 -3.433 -1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.574 -4.404 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.687 -6.368 -0.603 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.396 -5.009 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.620 -5.349 1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.894 -4.331 -0.378 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.644 -7.187 -1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.735 -5.135 0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.211 -5.672 -0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.508 -7.654 -2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.083 -7.086 -1.855 1.00 0.00 H new ATOM 369 N ARG A 30 -0.274 -7.403 -2.026 1.00 0.00 N ATOM 370 CA ARG A 30 -0.516 -8.836 -2.361 1.00 0.00 C ATOM 371 C ARG A 30 -0.132 -9.713 -1.168 1.00 0.00 C ATOM 372 O ARG A 30 0.562 -9.282 -0.268 1.00 0.00 O ATOM 373 CB ARG A 30 0.334 -9.226 -3.572 1.00 0.00 C ATOM 374 CG ARG A 30 1.816 -9.066 -3.228 1.00 0.00 C ATOM 375 CD ARG A 30 2.646 -10.033 -4.075 1.00 0.00 C ATOM 376 NE ARG A 30 4.082 -9.916 -3.697 1.00 0.00 N ATOM 377 CZ ARG A 30 4.949 -10.782 -4.148 1.00 0.00 C ATOM 378 NH1 ARG A 30 4.749 -11.364 -5.299 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.013 -11.065 -3.449 1.00 0.00 N ATOM 0 H ARG A 30 0.302 -7.241 -1.200 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.571 -8.980 -2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.126 -10.257 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.078 -8.599 -4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.134 -8.040 -3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.977 -9.264 -2.168 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.301 -11.056 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.518 -9.808 -5.134 1.00 0.00 H new ATOM 0 HE ARG A 30 4.388 -9.159 -3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.916 -11.142 -5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.425 -12.041 -5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.168 -10.610 -2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.690 -11.742 -3.802 1.00 0.00 H new ATOM 393 N VAL A 31 -0.578 -10.939 -1.151 1.00 0.00 N ATOM 394 CA VAL A 31 -0.235 -11.839 -0.014 1.00 0.00 C ATOM 395 C VAL A 31 0.893 -12.785 -0.433 1.00 0.00 C ATOM 396 O VAL A 31 1.082 -13.065 -1.600 1.00 0.00 O ATOM 397 CB VAL A 31 -1.470 -12.656 0.383 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.052 -13.845 1.254 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.431 -11.769 1.174 1.00 0.00 C ATOM 0 H VAL A 31 -1.164 -11.356 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 31 0.092 -11.241 0.837 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.960 -13.024 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.935 -14.421 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.365 -14.481 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.558 -13.480 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.310 -12.348 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.933 -11.403 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.736 -10.923 0.558 1.00 0.00 H new ATOM 409 N VAL A 32 1.640 -13.280 0.513 1.00 0.00 N ATOM 410 CA VAL A 32 2.753 -14.209 0.178 1.00 0.00 C ATOM 411 C VAL A 32 2.424 -15.601 0.718 1.00 0.00 C ATOM 412 O VAL A 32 2.833 -16.605 0.170 1.00 0.00 O ATOM 413 CB VAL A 32 4.045 -13.705 0.824 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.211 -14.597 0.399 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.312 -12.268 0.370 1.00 0.00 C ATOM 0 H VAL A 32 1.527 -13.080 1.507 1.00 0.00 H new ATOM 0 HA VAL A 32 2.881 -14.256 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 32 3.944 -13.733 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.131 -14.237 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.021 -15.621 0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.314 -14.569 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.232 -11.906 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.413 -12.242 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.481 -11.631 0.672 1.00 0.00 H new ATOM 425 N LYS A 33 1.685 -15.663 1.792 1.00 0.00 N ATOM 426 CA LYS A 33 1.324 -16.984 2.381 1.00 0.00 C ATOM 427 C LYS A 33 0.862 -16.777 3.826 1.00 0.00 C ATOM 428 O LYS A 33 1.152 -17.570 4.700 1.00 0.00 O ATOM 429 CB LYS A 33 2.548 -17.898 2.367 1.00 0.00 C ATOM 430 CG LYS A 33 3.798 -17.072 2.677 1.00 0.00 C ATOM 431 CD LYS A 33 4.784 -17.919 3.485 1.00 0.00 C ATOM 432 CE LYS A 33 5.570 -17.017 4.439 1.00 0.00 C ATOM 433 NZ LYS A 33 6.822 -17.710 4.857 1.00 0.00 N ATOM 0 H LYS A 33 1.314 -14.853 2.289 1.00 0.00 H new ATOM 0 HA LYS A 33 0.524 -17.441 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.431 -18.693 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.647 -18.378 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.264 -16.737 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.526 -16.178 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.247 -18.682 4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.467 -18.440 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.810 -16.073 3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.964 -16.778 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.357 -17.098 5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.582 -18.600 5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.401 -17.916 4.018 1.00 0.00 H new ATOM 447 N GLY A 34 0.151 -15.715 4.082 1.00 0.00 N ATOM 448 CA GLY A 34 -0.324 -15.451 5.468 1.00 0.00 C ATOM 449 C GLY A 34 0.087 -14.037 5.883 1.00 0.00 C ATOM 450 O GLY A 34 -0.449 -13.474 6.816 1.00 0.00 O ATOM 0 H GLY A 34 -0.122 -15.017 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.408 -15.557 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.101 -16.182 6.156 1.00 0.00 H new ATOM 454 N LYS A 35 1.035 -13.459 5.195 1.00 0.00 N ATOM 455 CA LYS A 35 1.478 -12.081 5.549 1.00 0.00 C ATOM 456 C LYS A 35 1.042 -11.110 4.451 1.00 0.00 C ATOM 457 O LYS A 35 1.416 -11.247 3.303 1.00 0.00 O ATOM 458 CB LYS A 35 3.002 -12.052 5.680 1.00 0.00 C ATOM 459 CG LYS A 35 3.456 -13.166 6.625 1.00 0.00 C ATOM 460 CD LYS A 35 4.940 -12.987 6.951 1.00 0.00 C ATOM 461 CE LYS A 35 5.100 -11.923 8.039 1.00 0.00 C ATOM 462 NZ LYS A 35 6.390 -12.136 8.754 1.00 0.00 N ATOM 0 H LYS A 35 1.521 -13.882 4.404 1.00 0.00 H new ATOM 0 HA LYS A 35 1.027 -11.786 6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.464 -12.181 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.326 -11.083 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.866 -13.143 7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.289 -14.139 6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.366 -13.932 7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.487 -12.691 6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.077 -10.928 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.269 -11.978 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.500 -11.414 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.394 -13.081 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.177 -12.063 8.079 1.00 0.00 H new ATOM 476 N VAL A 36 0.250 -10.129 4.792 1.00 0.00 N ATOM 477 CA VAL A 36 -0.211 -9.153 3.765 1.00 0.00 C ATOM 478 C VAL A 36 0.881 -8.106 3.529 1.00 0.00 C ATOM 479 O VAL A 36 1.206 -7.326 4.403 1.00 0.00 O ATOM 480 CB VAL A 36 -1.488 -8.463 4.251 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.767 -7.228 3.393 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.665 -9.434 4.137 1.00 0.00 C ATOM 0 H VAL A 36 -0.097 -9.962 5.737 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.417 -9.678 2.832 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.360 -8.160 5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.677 -6.740 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.930 -6.534 3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.893 -7.529 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.575 -8.944 4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.788 -9.736 3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.471 -10.314 4.750 1.00 0.00 H new ATOM 492 N GLU A 37 1.443 -8.079 2.352 1.00 0.00 N ATOM 493 CA GLU A 37 2.506 -7.079 2.057 1.00 0.00 C ATOM 494 C GLU A 37 1.867 -5.837 1.435 1.00 0.00 C ATOM 495 O GLU A 37 0.810 -5.905 0.839 1.00 0.00 O ATOM 496 CB GLU A 37 3.515 -7.680 1.077 1.00 0.00 C ATOM 497 CG GLU A 37 4.524 -8.538 1.844 1.00 0.00 C ATOM 498 CD GLU A 37 5.608 -9.032 0.884 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.257 -9.473 -0.198 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.771 -8.961 1.247 1.00 0.00 O ATOM 0 H GLU A 37 1.212 -8.707 1.582 1.00 0.00 H new ATOM 0 HA GLU A 37 3.019 -6.805 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.998 -8.286 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.032 -6.886 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.974 -7.957 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.019 -9.386 2.307 1.00 0.00 H new ATOM 507 N TYR A 38 2.493 -4.700 1.569 1.00 0.00 N ATOM 508 CA TYR A 38 1.909 -3.461 0.984 1.00 0.00 C ATOM 509 C TYR A 38 3.006 -2.650 0.294 1.00 0.00 C ATOM 510 O TYR A 38 3.880 -2.098 0.933 1.00 0.00 O ATOM 511 CB TYR A 38 1.281 -2.620 2.099 1.00 0.00 C ATOM 512 CG TYR A 38 -0.145 -3.062 2.322 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.160 -2.612 1.467 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.453 -3.921 3.384 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.483 -3.022 1.674 1.00 0.00 C ATOM 516 CE2 TYR A 38 -1.777 -4.332 3.591 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.792 -3.882 2.737 1.00 0.00 C ATOM 518 OH TYR A 38 -4.096 -4.286 2.941 1.00 0.00 O ATOM 0 H TYR A 38 3.380 -4.576 2.056 1.00 0.00 H new ATOM 0 HA TYR A 38 1.146 -3.731 0.254 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.855 -2.730 3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.308 -1.564 1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.922 -1.949 0.648 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.329 -4.267 4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.265 -2.676 1.015 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.015 -4.996 4.409 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.136 -4.881 3.719 1.00 0.00 H new ATOM 528 N LEU A 39 2.965 -2.566 -1.008 1.00 0.00 N ATOM 529 CA LEU A 39 4.001 -1.783 -1.738 1.00 0.00 C ATOM 530 C LEU A 39 3.709 -0.292 -1.567 1.00 0.00 C ATOM 531 O LEU A 39 2.914 0.280 -2.286 1.00 0.00 O ATOM 532 CB LEU A 39 3.965 -2.144 -3.224 1.00 0.00 C ATOM 533 CG LEU A 39 5.025 -1.336 -3.975 1.00 0.00 C ATOM 534 CD1 LEU A 39 5.601 -2.179 -5.113 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.386 -0.071 -4.552 1.00 0.00 C ATOM 0 H LEU A 39 2.258 -3.006 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 39 4.988 -2.015 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.147 -3.211 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.977 -1.937 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 39 5.825 -1.060 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.356 -1.602 -5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.056 -3.081 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.802 -2.456 -5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.140 0.506 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.586 -0.348 -5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.976 0.532 -3.742 1.00 0.00 H new ATOM 547 N LEU A 40 4.339 0.340 -0.615 1.00 0.00 N ATOM 548 CA LEU A 40 4.088 1.792 -0.393 1.00 0.00 C ATOM 549 C LEU A 40 5.140 2.620 -1.134 1.00 0.00 C ATOM 550 O LEU A 40 6.236 2.165 -1.392 1.00 0.00 O ATOM 551 CB LEU A 40 4.166 2.098 1.105 1.00 0.00 C ATOM 552 CG LEU A 40 2.777 1.961 1.732 1.00 0.00 C ATOM 553 CD1 LEU A 40 1.908 3.147 1.311 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.127 0.658 1.258 1.00 0.00 C ATOM 0 H LEU A 40 5.016 -0.086 0.018 1.00 0.00 H new ATOM 0 HA LEU A 40 3.098 2.047 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.863 1.415 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.548 3.107 1.261 1.00 0.00 H new ATOM 0 HG LEU A 40 2.870 1.946 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.918 3.050 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.369 4.075 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.816 3.163 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.138 0.561 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.035 0.672 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.745 -0.188 1.559 1.00 0.00 H new ATOM 566 N LYS A 41 4.812 3.837 -1.474 1.00 0.00 N ATOM 567 CA LYS A 41 5.788 4.701 -2.194 1.00 0.00 C ATOM 568 C LYS A 41 6.521 5.584 -1.180 1.00 0.00 C ATOM 569 O LYS A 41 6.047 5.809 -0.084 1.00 0.00 O ATOM 570 CB LYS A 41 5.042 5.585 -3.196 1.00 0.00 C ATOM 571 CG LYS A 41 6.038 6.192 -4.185 1.00 0.00 C ATOM 572 CD LYS A 41 5.276 6.859 -5.332 1.00 0.00 C ATOM 573 CE LYS A 41 4.943 8.303 -4.953 1.00 0.00 C ATOM 574 NZ LYS A 41 6.195 9.111 -4.926 1.00 0.00 N ATOM 0 H LYS A 41 3.908 4.270 -1.283 1.00 0.00 H new ATOM 0 HA LYS A 41 6.508 4.079 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.296 4.997 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.507 6.376 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.669 6.923 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.698 5.417 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.877 6.840 -6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.360 6.307 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.240 8.726 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.458 8.332 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.406 9.392 -3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.982 8.544 -5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.072 9.962 -5.511 1.00 0.00 H new ATOM 588 N TRP A 42 7.671 6.084 -1.534 1.00 0.00 N ATOM 589 CA TRP A 42 8.427 6.947 -0.584 1.00 0.00 C ATOM 590 C TRP A 42 8.957 8.179 -1.318 1.00 0.00 C ATOM 591 O TRP A 42 9.703 8.074 -2.273 1.00 0.00 O ATOM 592 CB TRP A 42 9.598 6.156 0.001 1.00 0.00 C ATOM 593 CG TRP A 42 9.099 4.845 0.513 1.00 0.00 C ATOM 594 CD1 TRP A 42 9.084 3.690 -0.192 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.543 4.531 1.823 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.554 2.689 0.601 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.206 3.158 1.852 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.300 5.302 2.977 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.648 2.567 2.988 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.739 4.710 4.121 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.414 3.345 4.126 1.00 0.00 C ATOM 0 H TRP A 42 8.120 5.933 -2.438 1.00 0.00 H new ATOM 0 HA TRP A 42 7.765 7.265 0.221 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.361 5.996 -0.761 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.067 6.720 0.807 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.430 3.570 -1.208 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.435 1.722 0.299 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.546 6.354 2.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.399 1.516 2.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.557 5.309 5.001 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.983 2.895 5.008 1.00 0.00 H new ATOM 612 N LYS A 43 8.578 9.348 -0.881 1.00 0.00 N ATOM 613 CA LYS A 43 9.059 10.587 -1.553 1.00 0.00 C ATOM 614 C LYS A 43 10.449 10.949 -1.027 1.00 0.00 C ATOM 615 O LYS A 43 11.194 11.671 -1.658 1.00 0.00 O ATOM 616 CB LYS A 43 8.087 11.733 -1.259 1.00 0.00 C ATOM 617 CG LYS A 43 8.239 12.172 0.199 1.00 0.00 C ATOM 618 CD LYS A 43 9.117 13.425 0.266 1.00 0.00 C ATOM 619 CE LYS A 43 8.312 14.636 -0.208 1.00 0.00 C ATOM 620 NZ LYS A 43 7.491 15.161 0.920 1.00 0.00 N ATOM 0 H LYS A 43 7.956 9.499 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 43 9.112 10.420 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.286 12.573 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.063 11.412 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.260 12.377 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.686 11.370 0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.466 13.583 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.002 13.296 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.984 15.412 -0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.667 14.354 -1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.944 15.984 0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.840 14.420 1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.116 15.445 1.701 1.00 0.00 H new ATOM 634 N GLY A 44 10.805 10.452 0.127 1.00 0.00 N ATOM 635 CA GLY A 44 12.148 10.770 0.693 1.00 0.00 C ATOM 636 C GLY A 44 13.235 10.357 -0.301 1.00 0.00 C ATOM 637 O GLY A 44 14.190 11.075 -0.523 1.00 0.00 O ATOM 0 H GLY A 44 10.225 9.840 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.221 11.837 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.288 10.247 1.639 1.00 0.00 H new ATOM 641 N PHE A 45 13.102 9.206 -0.900 1.00 0.00 N ATOM 642 CA PHE A 45 14.131 8.751 -1.877 1.00 0.00 C ATOM 643 C PHE A 45 13.524 8.721 -3.282 1.00 0.00 C ATOM 644 O PHE A 45 12.654 9.504 -3.608 1.00 0.00 O ATOM 645 CB PHE A 45 14.609 7.348 -1.496 1.00 0.00 C ATOM 646 CG PHE A 45 14.809 7.273 -0.002 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.972 7.796 0.577 1.00 0.00 C ATOM 648 CD2 PHE A 45 13.829 6.680 0.808 1.00 0.00 C ATOM 649 CE1 PHE A 45 16.157 7.727 1.964 1.00 0.00 C ATOM 650 CE2 PHE A 45 14.015 6.611 2.195 1.00 0.00 C ATOM 651 CZ PHE A 45 15.178 7.134 2.773 1.00 0.00 C ATOM 0 H PHE A 45 12.325 8.561 -0.755 1.00 0.00 H new ATOM 0 HA PHE A 45 14.976 9.439 -1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.878 6.604 -1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.542 7.118 -2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.727 8.253 -0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.932 6.277 0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 45 17.054 8.131 2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.261 6.154 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.321 7.081 3.842 1.00 0.00 H new ATOM 661 N SER A 46 13.976 7.824 -4.116 1.00 0.00 N ATOM 662 CA SER A 46 13.425 7.746 -5.498 1.00 0.00 C ATOM 663 C SER A 46 11.901 7.870 -5.447 1.00 0.00 C ATOM 664 O SER A 46 11.280 7.606 -4.437 1.00 0.00 O ATOM 665 CB SER A 46 13.806 6.405 -6.125 1.00 0.00 C ATOM 666 OG SER A 46 14.222 5.509 -5.103 1.00 0.00 O ATOM 0 H SER A 46 14.703 7.142 -3.899 1.00 0.00 H new ATOM 0 HA SER A 46 13.836 8.557 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.956 5.989 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.607 6.544 -6.850 1.00 0.00 H new ATOM 0 HG SER A 46 15.195 5.560 -5.000 1.00 0.00 H new ATOM 672 N ASP A 47 11.292 8.273 -6.529 1.00 0.00 N ATOM 673 CA ASP A 47 9.809 8.413 -6.540 1.00 0.00 C ATOM 674 C ASP A 47 9.165 7.034 -6.391 1.00 0.00 C ATOM 675 O ASP A 47 7.984 6.913 -6.135 1.00 0.00 O ATOM 676 CB ASP A 47 9.367 9.042 -7.864 1.00 0.00 C ATOM 677 CG ASP A 47 8.831 10.452 -7.605 1.00 0.00 C ATOM 678 OD1 ASP A 47 9.047 10.955 -6.516 1.00 0.00 O ATOM 679 OD2 ASP A 47 8.215 11.004 -8.502 1.00 0.00 O ATOM 0 H ASP A 47 11.757 8.511 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 47 9.498 9.050 -5.712 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.207 9.082 -8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.597 8.429 -8.331 1.00 0.00 H new ATOM 684 N GLU A 48 9.934 5.991 -6.549 1.00 0.00 N ATOM 685 CA GLU A 48 9.369 4.620 -6.415 1.00 0.00 C ATOM 686 C GLU A 48 10.473 3.659 -5.973 1.00 0.00 C ATOM 687 O GLU A 48 11.175 3.089 -6.785 1.00 0.00 O ATOM 688 CB GLU A 48 8.804 4.166 -7.763 1.00 0.00 C ATOM 689 CG GLU A 48 9.775 4.553 -8.880 1.00 0.00 C ATOM 690 CD GLU A 48 9.181 4.154 -10.233 1.00 0.00 C ATOM 691 OE1 GLU A 48 8.709 3.034 -10.344 1.00 0.00 O ATOM 692 OE2 GLU A 48 9.208 4.976 -11.134 1.00 0.00 O ATOM 0 H GLU A 48 10.930 6.030 -6.765 1.00 0.00 H new ATOM 0 HA GLU A 48 8.571 4.625 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.649 3.087 -7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.832 4.627 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.964 5.626 -8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.734 4.057 -8.731 1.00 0.00 H new ATOM 699 N ASP A 49 10.633 3.476 -4.692 1.00 0.00 N ATOM 700 CA ASP A 49 11.694 2.554 -4.198 1.00 0.00 C ATOM 701 C ASP A 49 11.112 1.148 -4.035 1.00 0.00 C ATOM 702 O ASP A 49 11.815 0.207 -3.726 1.00 0.00 O ATOM 703 CB ASP A 49 12.211 3.054 -2.847 1.00 0.00 C ATOM 704 CG ASP A 49 13.573 2.422 -2.556 1.00 0.00 C ATOM 705 OD1 ASP A 49 13.854 1.379 -3.124 1.00 0.00 O ATOM 706 OD2 ASP A 49 14.313 2.990 -1.770 1.00 0.00 O ATOM 0 H ASP A 49 10.075 3.925 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 49 12.515 2.525 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.297 4.141 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.504 2.799 -2.058 1.00 0.00 H new ATOM 711 N ASN A 50 9.831 0.996 -4.245 1.00 0.00 N ATOM 712 CA ASN A 50 9.205 -0.350 -4.106 1.00 0.00 C ATOM 713 C ASN A 50 9.603 -0.970 -2.765 1.00 0.00 C ATOM 714 O ASN A 50 10.686 -1.502 -2.613 1.00 0.00 O ATOM 715 CB ASN A 50 9.681 -1.252 -5.247 1.00 0.00 C ATOM 716 CG ASN A 50 9.881 -0.417 -6.512 1.00 0.00 C ATOM 717 OD1 ASN A 50 10.998 -0.128 -6.893 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.838 -0.012 -7.183 1.00 0.00 N ATOM 0 H ASN A 50 9.192 1.746 -4.507 1.00 0.00 H new ATOM 0 HA ASN A 50 8.120 -0.250 -4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.615 -1.742 -4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.950 -2.039 -5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.960 0.547 -8.027 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.900 -0.255 -6.863 1.00 0.00 H new ATOM 725 N THR A 51 8.736 -0.909 -1.792 1.00 0.00 N ATOM 726 CA THR A 51 9.064 -1.498 -0.462 1.00 0.00 C ATOM 727 C THR A 51 7.832 -2.215 0.093 1.00 0.00 C ATOM 728 O THR A 51 6.915 -1.596 0.594 1.00 0.00 O ATOM 729 CB THR A 51 9.485 -0.384 0.501 1.00 0.00 C ATOM 730 OG1 THR A 51 10.147 0.643 -0.223 1.00 0.00 O ATOM 731 CG2 THR A 51 10.429 -0.954 1.560 1.00 0.00 C ATOM 0 H THR A 51 7.815 -0.477 -1.860 1.00 0.00 H new ATOM 0 HA THR A 51 9.882 -2.210 -0.571 1.00 0.00 H new ATOM 0 HB THR A 51 8.601 0.028 0.988 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.969 1.509 0.201 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.728 -0.161 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.919 -1.741 2.116 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.313 -1.367 1.075 1.00 0.00 H new ATOM 739 N TRP A 52 7.804 -3.517 0.008 1.00 0.00 N ATOM 740 CA TRP A 52 6.631 -4.272 0.531 1.00 0.00 C ATOM 741 C TRP A 52 6.749 -4.414 2.049 1.00 0.00 C ATOM 742 O TRP A 52 7.646 -5.061 2.553 1.00 0.00 O ATOM 743 CB TRP A 52 6.592 -5.661 -0.110 1.00 0.00 C ATOM 744 CG TRP A 52 6.414 -5.523 -1.589 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.415 -5.313 -2.477 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.185 -5.581 -2.368 1.00 0.00 C ATOM 747 NE1 TRP A 52 6.876 -5.240 -3.745 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.513 -5.397 -3.731 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.831 -5.771 -2.032 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.543 -5.402 -4.724 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.844 -5.777 -3.034 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.200 -5.593 -4.379 1.00 0.00 C ATOM 0 H TRP A 52 8.542 -4.090 -0.401 1.00 0.00 H new ATOM 0 HA TRP A 52 5.715 -3.733 0.288 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.514 -6.200 0.107 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.775 -6.245 0.312 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.463 -5.218 -2.233 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.425 -5.088 -4.591 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.549 -5.913 -0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.823 -5.259 -5.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.808 -5.924 -2.767 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.440 -5.599 -5.146 1.00 0.00 H new ATOM 763 N GLU A 53 5.851 -3.816 2.782 1.00 0.00 N ATOM 764 CA GLU A 53 5.912 -3.919 4.267 1.00 0.00 C ATOM 765 C GLU A 53 4.814 -4.866 4.758 1.00 0.00 C ATOM 766 O GLU A 53 3.857 -5.119 4.054 1.00 0.00 O ATOM 767 CB GLU A 53 5.704 -2.534 4.884 1.00 0.00 C ATOM 768 CG GLU A 53 6.952 -1.679 4.652 1.00 0.00 C ATOM 769 CD GLU A 53 7.292 -0.912 5.932 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.848 -1.334 6.987 1.00 0.00 O ATOM 771 OE2 GLU A 53 7.990 0.083 5.835 1.00 0.00 O ATOM 0 H GLU A 53 5.077 -3.260 2.417 1.00 0.00 H new ATOM 0 HA GLU A 53 6.886 -4.306 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.833 -2.053 4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.507 -2.626 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.790 -2.312 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.780 -0.981 3.832 1.00 0.00 H new ATOM 778 N PRO A 54 4.987 -5.361 5.956 1.00 0.00 N ATOM 779 CA PRO A 54 4.028 -6.287 6.580 1.00 0.00 C ATOM 780 C PRO A 54 2.817 -5.518 7.116 1.00 0.00 C ATOM 781 O PRO A 54 2.918 -4.369 7.495 1.00 0.00 O ATOM 782 CB PRO A 54 4.828 -6.916 7.724 1.00 0.00 C ATOM 783 CG PRO A 54 5.974 -5.928 8.049 1.00 0.00 C ATOM 784 CD PRO A 54 6.158 -5.043 6.800 1.00 0.00 C ATOM 0 HA PRO A 54 3.633 -7.029 5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.196 -7.078 8.597 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.224 -7.889 7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.728 -5.322 8.921 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.894 -6.464 8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.185 -3.985 7.062 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.093 -5.268 6.286 1.00 0.00 H new ATOM 792 N GLU A 55 1.673 -6.145 7.151 1.00 0.00 N ATOM 793 CA GLU A 55 0.459 -5.449 7.663 1.00 0.00 C ATOM 794 C GLU A 55 0.473 -5.457 9.193 1.00 0.00 C ATOM 795 O GLU A 55 -0.335 -4.815 9.833 1.00 0.00 O ATOM 796 CB GLU A 55 -0.792 -6.172 7.160 1.00 0.00 C ATOM 797 CG GLU A 55 -0.924 -7.520 7.870 1.00 0.00 C ATOM 798 CD GLU A 55 -2.221 -7.547 8.680 1.00 0.00 C ATOM 799 OE1 GLU A 55 -2.770 -6.484 8.917 1.00 0.00 O ATOM 800 OE2 GLU A 55 -2.643 -8.630 9.049 1.00 0.00 O ATOM 0 H GLU A 55 1.527 -7.108 6.848 1.00 0.00 H new ATOM 0 HA GLU A 55 0.452 -4.419 7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.676 -5.563 7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.730 -6.322 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.922 -8.329 7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.069 -7.682 8.527 1.00 0.00 H new ATOM 807 N GLU A 56 1.387 -6.178 9.785 1.00 0.00 N ATOM 808 CA GLU A 56 1.449 -6.225 11.273 1.00 0.00 C ATOM 809 C GLU A 56 2.384 -5.124 11.781 1.00 0.00 C ATOM 810 O GLU A 56 2.915 -5.201 12.870 1.00 0.00 O ATOM 811 CB GLU A 56 1.982 -7.590 11.718 1.00 0.00 C ATOM 812 CG GLU A 56 1.378 -8.684 10.836 1.00 0.00 C ATOM 813 CD GLU A 56 1.089 -9.922 11.687 1.00 0.00 C ATOM 814 OE1 GLU A 56 1.129 -9.806 12.900 1.00 0.00 O ATOM 815 OE2 GLU A 56 0.833 -10.967 11.109 1.00 0.00 O ATOM 0 H GLU A 56 2.092 -6.735 9.303 1.00 0.00 H new ATOM 0 HA GLU A 56 0.451 -6.072 11.683 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.069 -7.609 11.646 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.728 -7.769 12.763 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.459 -8.326 10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.066 -8.937 10.029 1.00 0.00 H new ATOM 822 N ASN A 57 2.588 -4.100 10.999 1.00 0.00 N ATOM 823 CA ASN A 57 3.487 -2.995 11.438 1.00 0.00 C ATOM 824 C ASN A 57 3.062 -1.691 10.759 1.00 0.00 C ATOM 825 O ASN A 57 3.005 -0.648 11.379 1.00 0.00 O ATOM 826 CB ASN A 57 4.929 -3.326 11.048 1.00 0.00 C ATOM 827 CG ASN A 57 5.691 -3.816 12.281 1.00 0.00 C ATOM 828 OD1 ASN A 57 6.856 -3.296 12.562 1.00 0.00 O flip ATOM 829 ND2 ASN A 57 5.223 -4.678 12.998 1.00 0.00 N flip ATOM 0 H ASN A 57 2.172 -3.980 10.076 1.00 0.00 H new ATOM 0 HA ASN A 57 3.420 -2.880 12.520 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.941 -4.091 10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.416 -2.444 10.633 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.313 -5.085 12.780 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.740 -4.995 13.818 1.00 0.00 H new ATOM 836 N LEU A 58 2.764 -1.742 9.489 1.00 0.00 N ATOM 837 CA LEU A 58 2.344 -0.504 8.773 1.00 0.00 C ATOM 838 C LEU A 58 1.292 0.233 9.604 1.00 0.00 C ATOM 839 O LEU A 58 0.299 -0.334 10.012 1.00 0.00 O ATOM 840 CB LEU A 58 1.748 -0.880 7.415 1.00 0.00 C ATOM 841 CG LEU A 58 2.781 -0.631 6.316 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.299 -1.261 5.009 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.960 0.878 6.118 1.00 0.00 C ATOM 0 H LEU A 58 2.793 -2.586 8.917 1.00 0.00 H new ATOM 0 HA LEU A 58 3.209 0.143 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.448 -1.928 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.850 -0.292 7.225 1.00 0.00 H new ATOM 0 HG LEU A 58 3.733 -1.077 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.036 -1.083 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.170 -2.334 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.347 -0.815 4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.696 1.057 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.008 1.323 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.304 1.329 7.049 1.00 0.00 H new ATOM 855 N ASP A 59 1.503 1.496 9.858 1.00 0.00 N ATOM 856 CA ASP A 59 0.514 2.269 10.661 1.00 0.00 C ATOM 857 C ASP A 59 -0.202 3.276 9.760 1.00 0.00 C ATOM 858 O ASP A 59 -0.396 4.419 10.121 1.00 0.00 O ATOM 859 CB ASP A 59 1.242 3.015 11.781 1.00 0.00 C ATOM 860 CG ASP A 59 2.397 3.824 11.189 1.00 0.00 C ATOM 861 OD1 ASP A 59 2.208 4.404 10.133 1.00 0.00 O ATOM 862 OD2 ASP A 59 3.452 3.848 11.801 1.00 0.00 O ATOM 0 H ASP A 59 2.317 2.025 9.544 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.217 1.586 11.092 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.550 3.677 12.301 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.620 2.307 12.518 1.00 0.00 H new ATOM 867 N CYS A 60 -0.599 2.860 8.588 1.00 0.00 N ATOM 868 CA CYS A 60 -1.304 3.794 7.664 1.00 0.00 C ATOM 869 C CYS A 60 -2.530 3.094 7.069 1.00 0.00 C ATOM 870 O CYS A 60 -2.483 2.602 5.959 1.00 0.00 O ATOM 871 CB CYS A 60 -0.357 4.210 6.537 1.00 0.00 C ATOM 872 SG CYS A 60 0.789 5.471 7.146 1.00 0.00 S ATOM 0 H CYS A 60 -0.466 1.914 8.230 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.622 4.679 8.215 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.197 3.344 6.175 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.927 4.599 5.693 1.00 0.00 H new ATOM 0 HG CYS A 60 1.334 5.063 8.254 1.00 0.00 H new ATOM 878 N PRO A 61 -3.593 3.070 7.832 1.00 0.00 N ATOM 879 CA PRO A 61 -4.855 2.438 7.416 1.00 0.00 C ATOM 880 C PRO A 61 -5.617 3.349 6.451 1.00 0.00 C ATOM 881 O PRO A 61 -6.663 2.995 5.943 1.00 0.00 O ATOM 882 CB PRO A 61 -5.622 2.269 8.730 1.00 0.00 C ATOM 883 CG PRO A 61 -5.030 3.305 9.716 1.00 0.00 C ATOM 884 CD PRO A 61 -3.633 3.674 9.180 1.00 0.00 C ATOM 0 HA PRO A 61 -4.709 1.495 6.889 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.689 2.439 8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.511 1.256 9.117 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.666 4.188 9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.962 2.889 10.721 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.495 4.754 9.137 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.844 3.277 9.818 1.00 0.00 H new ATOM 892 N ASP A 62 -5.101 4.519 6.191 1.00 0.00 N ATOM 893 CA ASP A 62 -5.797 5.448 5.259 1.00 0.00 C ATOM 894 C ASP A 62 -5.358 5.145 3.826 1.00 0.00 C ATOM 895 O ASP A 62 -6.138 5.220 2.898 1.00 0.00 O ATOM 896 CB ASP A 62 -5.432 6.893 5.610 1.00 0.00 C ATOM 897 CG ASP A 62 -5.660 7.127 7.104 1.00 0.00 C ATOM 898 OD1 ASP A 62 -6.596 6.555 7.638 1.00 0.00 O ATOM 899 OD2 ASP A 62 -4.896 7.876 7.689 1.00 0.00 O ATOM 0 H ASP A 62 -4.228 4.871 6.584 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.875 5.316 5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.390 7.089 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.039 7.585 5.026 1.00 0.00 H new ATOM 904 N LEU A 63 -4.115 4.797 3.641 1.00 0.00 N ATOM 905 CA LEU A 63 -3.631 4.485 2.272 1.00 0.00 C ATOM 906 C LEU A 63 -4.011 3.046 1.927 1.00 0.00 C ATOM 907 O LEU A 63 -4.310 2.726 0.794 1.00 0.00 O ATOM 908 CB LEU A 63 -2.111 4.644 2.218 1.00 0.00 C ATOM 909 CG LEU A 63 -1.692 5.842 3.070 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.224 6.174 2.800 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.561 7.050 2.713 1.00 0.00 C ATOM 0 H LEU A 63 -3.416 4.716 4.379 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.087 5.167 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.627 3.738 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.786 4.786 1.187 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.821 5.599 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.074 7.028 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.396 5.314 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.094 6.416 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.263 7.905 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.432 7.292 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.608 6.815 2.906 1.00 0.00 H new ATOM 923 N ILE A 64 -4.011 2.178 2.900 1.00 0.00 N ATOM 924 CA ILE A 64 -4.381 0.765 2.632 1.00 0.00 C ATOM 925 C ILE A 64 -5.868 0.698 2.285 1.00 0.00 C ATOM 926 O ILE A 64 -6.285 -0.062 1.433 1.00 0.00 O ATOM 927 CB ILE A 64 -4.105 -0.083 3.875 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.604 -0.073 4.173 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.565 -1.521 3.626 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.334 -0.840 5.469 1.00 0.00 C ATOM 0 H ILE A 64 -3.770 2.388 3.869 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.791 0.381 1.800 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.649 0.329 4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.056 -0.528 3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.248 0.953 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.368 -2.125 4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.634 -1.529 3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.021 -1.935 2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.265 -0.832 5.680 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.870 -0.365 6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.675 -1.870 5.360 1.00 0.00 H new ATOM 942 N ALA A 65 -6.670 1.496 2.934 1.00 0.00 N ATOM 943 CA ALA A 65 -8.130 1.489 2.641 1.00 0.00 C ATOM 944 C ALA A 65 -8.412 2.425 1.464 1.00 0.00 C ATOM 945 O ALA A 65 -9.507 2.466 0.940 1.00 0.00 O ATOM 946 CB ALA A 65 -8.901 1.969 3.873 1.00 0.00 C ATOM 0 H ALA A 65 -6.376 2.154 3.656 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.448 0.478 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.970 1.964 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.696 1.304 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.587 2.981 4.127 1.00 0.00 H new ATOM 952 N GLU A 66 -7.432 3.179 1.044 1.00 0.00 N ATOM 953 CA GLU A 66 -7.645 4.110 -0.100 1.00 0.00 C ATOM 954 C GLU A 66 -7.218 3.425 -1.399 1.00 0.00 C ATOM 955 O GLU A 66 -7.677 3.764 -2.472 1.00 0.00 O ATOM 956 CB GLU A 66 -6.807 5.374 0.108 1.00 0.00 C ATOM 957 CG GLU A 66 -7.691 6.488 0.672 1.00 0.00 C ATOM 958 CD GLU A 66 -6.809 7.620 1.204 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.676 7.719 0.762 1.00 0.00 O ATOM 960 OE2 GLU A 66 -7.282 8.368 2.042 1.00 0.00 O ATOM 0 H GLU A 66 -6.494 3.190 1.444 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.700 4.379 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.983 5.168 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.365 5.690 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.357 6.866 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.321 6.097 1.471 1.00 0.00 H new ATOM 967 N PHE A 67 -6.338 2.465 -1.311 1.00 0.00 N ATOM 968 CA PHE A 67 -5.880 1.759 -2.541 1.00 0.00 C ATOM 969 C PHE A 67 -6.566 0.396 -2.636 1.00 0.00 C ATOM 970 O PHE A 67 -6.519 -0.264 -3.656 1.00 0.00 O ATOM 971 CB PHE A 67 -4.364 1.562 -2.479 1.00 0.00 C ATOM 972 CG PHE A 67 -3.931 0.640 -3.593 1.00 0.00 C ATOM 973 CD1 PHE A 67 -3.913 -0.747 -3.387 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.546 1.169 -4.832 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.510 -1.604 -4.421 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.144 0.311 -5.865 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.125 -1.074 -5.659 1.00 0.00 C ATOM 0 H PHE A 67 -5.917 2.139 -0.441 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.136 2.355 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.858 2.523 -2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.080 1.142 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.210 -1.155 -2.432 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.559 2.237 -4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.496 -2.672 -4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.849 0.718 -6.821 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.813 -1.734 -6.455 1.00 0.00 H new ATOM 987 N LEU A 68 -7.205 -0.037 -1.582 1.00 0.00 N ATOM 988 CA LEU A 68 -7.890 -1.360 -1.622 1.00 0.00 C ATOM 989 C LEU A 68 -9.358 -1.163 -2.014 1.00 0.00 C ATOM 990 O LEU A 68 -9.965 -2.015 -2.634 1.00 0.00 O ATOM 991 CB LEU A 68 -7.783 -2.033 -0.242 1.00 0.00 C ATOM 992 CG LEU A 68 -8.937 -1.594 0.669 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.188 -2.414 0.345 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.545 -1.829 2.130 1.00 0.00 C ATOM 0 H LEU A 68 -7.282 0.467 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.414 -2.002 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.798 -3.117 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.830 -1.775 0.220 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.144 -0.536 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.006 -2.101 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.468 -2.254 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.982 -3.472 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.362 -1.518 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.340 -2.888 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.653 -1.248 2.365 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.932 -0.046 -1.660 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.359 0.203 -2.013 1.00 0.00 C ATOM 1008 C GLN A 69 -11.479 0.430 -3.521 1.00 0.00 C ATOM 1009 O GLN A 69 -12.525 0.231 -4.106 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.860 1.443 -1.269 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.255 1.059 0.158 1.00 0.00 C ATOM 1012 CD GLN A 69 -12.847 2.278 0.869 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -12.349 2.699 1.894 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -13.898 2.864 0.365 1.00 0.00 N ATOM 0 H GLN A 69 -9.475 0.705 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.960 -0.660 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.083 2.207 -1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.715 1.872 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.982 0.247 0.139 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.384 0.695 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.316 2.510 -0.496 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.302 3.676 0.832 1.00 0.00 H new ATOM 1023 N SER A 70 -10.414 0.838 -4.156 1.00 0.00 N ATOM 1024 CA SER A 70 -10.471 1.070 -5.625 1.00 0.00 C ATOM 1025 C SER A 70 -10.416 -0.278 -6.344 1.00 0.00 C ATOM 1026 O SER A 70 -10.925 -0.434 -7.436 1.00 0.00 O ATOM 1027 CB SER A 70 -9.282 1.927 -6.056 1.00 0.00 C ATOM 1028 OG SER A 70 -9.605 3.301 -5.881 1.00 0.00 O ATOM 0 H SER A 70 -9.509 1.020 -3.721 1.00 0.00 H new ATOM 0 HA SER A 70 -11.396 1.587 -5.880 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.402 1.671 -5.467 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.036 1.729 -7.099 1.00 0.00 H new ATOM 0 HG SER A 70 -8.843 3.854 -6.155 1.00 0.00 H new ATOM 1034 N GLN A 71 -9.803 -1.255 -5.734 1.00 0.00 N ATOM 1035 CA GLN A 71 -9.715 -2.595 -6.376 1.00 0.00 C ATOM 1036 C GLN A 71 -11.122 -3.175 -6.523 1.00 0.00 C ATOM 1037 O GLN A 71 -11.421 -3.874 -7.472 1.00 0.00 O ATOM 1038 CB GLN A 71 -8.866 -3.521 -5.502 1.00 0.00 C ATOM 1039 CG GLN A 71 -7.877 -4.291 -6.379 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.076 -3.306 -7.235 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -6.162 -2.669 -6.751 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -7.382 -3.158 -8.494 1.00 0.00 N ATOM 0 H GLN A 71 -9.359 -1.182 -4.818 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.254 -2.504 -7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.328 -2.939 -4.754 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.508 -4.218 -4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.203 -4.878 -5.755 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.412 -4.993 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.150 -3.694 -8.899 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.853 -2.506 -9.074 1.00 0.00 H new ATOM 1051 N LYS A 72 -11.991 -2.890 -5.593 1.00 0.00 N ATOM 1052 CA LYS A 72 -13.379 -3.422 -5.682 1.00 0.00 C ATOM 1053 C LYS A 72 -14.151 -2.642 -6.747 1.00 0.00 C ATOM 1054 O LYS A 72 -14.879 -3.207 -7.540 1.00 0.00 O ATOM 1055 CB LYS A 72 -14.074 -3.265 -4.329 1.00 0.00 C ATOM 1056 CG LYS A 72 -13.439 -4.215 -3.314 1.00 0.00 C ATOM 1057 CD LYS A 72 -14.514 -5.130 -2.725 1.00 0.00 C ATOM 1058 CE LYS A 72 -15.162 -4.446 -1.519 1.00 0.00 C ATOM 1059 NZ LYS A 72 -16.404 -3.746 -1.954 1.00 0.00 N ATOM 0 H LYS A 72 -11.799 -2.311 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.349 -4.478 -5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.988 -2.235 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.138 -3.480 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.663 -4.811 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.957 -3.645 -2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.269 -5.354 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.073 -6.080 -2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.397 -5.184 -0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.467 -3.734 -1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.907 -3.382 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.155 -2.955 -2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.017 -4.413 -2.465 1.00 0.00 H new ATOM 1073 N THR A 73 -13.996 -1.347 -6.773 1.00 0.00 N ATOM 1074 CA THR A 73 -14.718 -0.528 -7.787 1.00 0.00 C ATOM 1075 C THR A 73 -14.172 0.901 -7.770 1.00 0.00 C ATOM 1076 O THR A 73 -14.197 1.573 -6.758 1.00 0.00 O ATOM 1077 CB THR A 73 -16.213 -0.507 -7.458 1.00 0.00 C ATOM 1078 OG1 THR A 73 -16.748 -1.814 -7.610 1.00 0.00 O ATOM 1079 CG2 THR A 73 -16.933 0.454 -8.403 1.00 0.00 C ATOM 0 H THR A 73 -13.400 -0.820 -6.135 1.00 0.00 H new ATOM 0 HA THR A 73 -14.571 -0.962 -8.776 1.00 0.00 H new ATOM 0 HB THR A 73 -16.354 -0.174 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.104 -2.378 -8.087 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.997 0.467 -8.167 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.522 1.457 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.794 0.124 -9.433 1.00 0.00 H new ATOM 1087 N ALA A 74 -13.678 1.371 -8.883 1.00 0.00 N ATOM 1088 CA ALA A 74 -13.131 2.757 -8.928 1.00 0.00 C ATOM 1089 C ALA A 74 -12.889 3.163 -10.382 1.00 0.00 C ATOM 1090 O ALA A 74 -13.536 4.046 -10.907 1.00 0.00 O ATOM 1091 CB ALA A 74 -11.810 2.809 -8.157 1.00 0.00 C ATOM 0 H ALA A 74 -13.630 0.856 -9.762 1.00 0.00 H new ATOM 0 HA ALA A 74 -13.845 3.444 -8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.409 3.822 -8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.982 2.520 -7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.096 2.122 -8.611 1.00 0.00 H new ATOM 1097 N HIS A 75 -11.959 2.524 -11.040 1.00 0.00 N ATOM 1098 CA HIS A 75 -11.676 2.874 -12.460 1.00 0.00 C ATOM 1099 C HIS A 75 -12.731 2.233 -13.365 1.00 0.00 C ATOM 1100 O HIS A 75 -13.041 2.736 -14.426 1.00 0.00 O ATOM 1101 CB HIS A 75 -10.290 2.354 -12.846 1.00 0.00 C ATOM 1102 CG HIS A 75 -9.893 2.927 -14.178 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -9.181 2.194 -15.115 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -10.101 4.160 -14.746 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -8.988 2.985 -16.187 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -9.527 4.194 -16.014 1.00 0.00 N ATOM 0 H HIS A 75 -11.384 1.775 -10.655 1.00 0.00 H new ATOM 0 HA HIS A 75 -11.705 3.957 -12.580 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -9.560 2.633 -12.086 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.299 1.265 -12.895 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.629 4.979 -14.280 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -8.461 2.679 -17.079 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.520 4.975 -16.670 1.00 0.00 H new ATOM 1114 N GLU A 76 -13.286 1.125 -12.953 1.00 0.00 N ATOM 1115 CA GLU A 76 -14.319 0.454 -13.790 1.00 0.00 C ATOM 1116 C GLU A 76 -15.600 1.291 -13.791 1.00 0.00 C ATOM 1117 O GLU A 76 -16.527 1.025 -14.530 1.00 0.00 O ATOM 1118 CB GLU A 76 -14.618 -0.932 -13.216 1.00 0.00 C ATOM 1119 CG GLU A 76 -15.347 -0.785 -11.879 1.00 0.00 C ATOM 1120 CD GLU A 76 -15.810 -2.160 -11.396 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -15.944 -3.044 -12.225 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -16.023 -2.306 -10.203 1.00 0.00 O ATOM 0 H GLU A 76 -13.068 0.657 -12.073 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.950 0.354 -14.811 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.230 -1.502 -13.915 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.691 -1.488 -13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.686 -0.332 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.203 -0.120 -11.991 1.00 0.00 H new ATOM 1129 N THR A 77 -15.659 2.304 -12.968 1.00 0.00 N ATOM 1130 CA THR A 77 -16.880 3.156 -12.924 1.00 0.00 C ATOM 1131 C THR A 77 -16.914 4.066 -14.154 1.00 0.00 C ATOM 1132 O THR A 77 -17.937 4.622 -14.498 1.00 0.00 O ATOM 1133 CB THR A 77 -16.858 4.014 -11.655 1.00 0.00 C ATOM 1134 OG1 THR A 77 -16.569 3.189 -10.535 1.00 0.00 O ATOM 1135 CG2 THR A 77 -18.220 4.679 -11.464 1.00 0.00 C ATOM 0 H THR A 77 -14.915 2.577 -12.326 1.00 0.00 H new ATOM 0 HA THR A 77 -17.766 2.520 -12.919 1.00 0.00 H new ATOM 0 HB THR A 77 -16.092 4.784 -11.748 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.606 3.205 -10.356 1.00 0.00 H new ATOM 0 HG21 THR A 77 -18.204 5.289 -10.561 1.00 0.00 H new ATOM 0 HG22 THR A 77 -18.440 5.310 -12.325 1.00 0.00 H new ATOM 0 HG23 THR A 77 -18.989 3.912 -11.370 1.00 0.00 H new ATOM 1143 N ASP A 78 -15.802 4.221 -14.819 1.00 0.00 N ATOM 1144 CA ASP A 78 -15.774 5.096 -16.026 1.00 0.00 C ATOM 1145 C ASP A 78 -16.517 4.407 -17.172 1.00 0.00 C ATOM 1146 O ASP A 78 -16.861 3.245 -17.093 1.00 0.00 O ATOM 1147 CB ASP A 78 -14.321 5.348 -16.439 1.00 0.00 C ATOM 1148 CG ASP A 78 -13.942 6.795 -16.119 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -14.306 7.666 -16.892 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -13.296 7.007 -15.107 1.00 0.00 O ATOM 0 H ASP A 78 -14.913 3.781 -14.580 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.258 6.046 -15.798 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.658 4.662 -15.912 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.196 5.156 -17.505 1.00 0.00 H new ATOM 1155 N LYS A 79 -16.768 5.116 -18.239 1.00 0.00 N ATOM 1156 CA LYS A 79 -17.488 4.501 -19.388 1.00 0.00 C ATOM 1157 C LYS A 79 -16.502 3.698 -20.239 1.00 0.00 C ATOM 1158 O LYS A 79 -15.330 4.008 -20.305 1.00 0.00 O ATOM 1159 CB LYS A 79 -18.121 5.603 -20.243 1.00 0.00 C ATOM 1160 CG LYS A 79 -17.024 6.363 -20.990 1.00 0.00 C ATOM 1161 CD LYS A 79 -17.173 6.128 -22.494 1.00 0.00 C ATOM 1162 CE LYS A 79 -16.455 7.240 -23.260 1.00 0.00 C ATOM 1163 NZ LYS A 79 -15.453 6.640 -24.186 1.00 0.00 N ATOM 0 H LYS A 79 -16.505 6.094 -18.364 1.00 0.00 H new ATOM 0 HA LYS A 79 -18.268 3.838 -19.014 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -18.825 5.168 -20.953 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -18.687 6.288 -19.612 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -17.090 7.428 -20.769 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -16.042 6.029 -20.655 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.755 5.158 -22.764 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -18.228 6.108 -22.766 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -17.176 7.833 -23.823 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.962 7.917 -22.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.965 7.396 -24.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.758 6.093 -23.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.936 6.012 -24.860 1.00 0.00 H new ATOM 1177 N SER A 80 -16.968 2.667 -20.888 1.00 0.00 N ATOM 1178 CA SER A 80 -16.056 1.845 -21.733 1.00 0.00 C ATOM 1179 C SER A 80 -16.057 2.387 -23.163 1.00 0.00 C ATOM 1180 O SER A 80 -14.992 2.438 -23.757 1.00 0.00 O ATOM 1181 CB SER A 80 -16.537 0.392 -21.738 1.00 0.00 C ATOM 1182 OG SER A 80 -15.470 -0.457 -21.337 1.00 0.00 O ATOM 1183 OXT SER A 80 -17.122 2.744 -23.639 1.00 0.00 O ATOM 0 H SER A 80 -17.940 2.358 -20.870 1.00 0.00 H new ATOM 0 HA SER A 80 -15.045 1.892 -21.328 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.384 0.275 -21.062 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.883 0.115 -22.734 1.00 0.00 H new ATOM 0 HG SER A 80 -15.775 -1.388 -21.337 1.00 0.00 H new TER 1189 SER A 80