USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0791 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0063 K(o=-0.0063,f=-1.3) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 93:sc= 0.0124 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.828 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.6 K(o=-1.6,f=-4.2!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0922 X(o=-0.092,f=-0.57) USER MOD Single : A 47 HIS : no HD1:sc= -0.694 K(o=-0.69,f=-1.3) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00855 USER MOD Single : A 57 GLN : amide:sc= -2.17 X(o=-2.2,f=-1.9) USER MOD Single : A 58 GLN : amide:sc= -3.29! C(o=-3.3!,f=-2.9!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 169:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 26:sc= 0.497 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.477 -11.571 -15.391 1.00 0.00 N ATOM 2 CA GLY A 1 7.062 -11.380 -15.133 1.00 0.00 C ATOM 3 C GLY A 1 6.412 -10.444 -16.132 1.00 0.00 C ATOM 4 O GLY A 1 5.478 -10.828 -16.837 1.00 0.00 O ATOM 0 H1 GLY A 1 8.875 -12.219 -14.681 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.605 -11.976 -16.340 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.966 -10.655 -15.337 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.557 -12.345 -15.162 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.930 -10.982 -14.127 1.00 0.00 H new ATOM 8 N SER A 2 6.905 -9.211 -16.193 1.00 0.00 N ATOM 9 CA SER A 2 6.362 -8.214 -17.109 1.00 0.00 C ATOM 10 C SER A 2 7.351 -7.072 -17.317 1.00 0.00 C ATOM 11 O SER A 2 8.342 -6.955 -16.597 1.00 0.00 O ATOM 12 CB SER A 2 5.038 -7.666 -16.573 1.00 0.00 C ATOM 13 OG SER A 2 4.394 -6.854 -17.540 1.00 0.00 O ATOM 0 H SER A 2 7.680 -8.878 -15.619 1.00 0.00 H new ATOM 0 HA SER A 2 6.185 -8.697 -18.070 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.385 -8.493 -16.294 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.220 -7.085 -15.669 1.00 0.00 H new ATOM 0 HG SER A 2 3.549 -6.517 -17.174 1.00 0.00 H new ATOM 19 N SER A 3 7.074 -6.231 -18.308 1.00 0.00 N ATOM 20 CA SER A 3 7.940 -5.099 -18.615 1.00 0.00 C ATOM 21 C SER A 3 8.111 -4.199 -17.395 1.00 0.00 C ATOM 22 O SER A 3 7.184 -3.499 -16.992 1.00 0.00 O ATOM 23 CB SER A 3 7.367 -4.292 -19.782 1.00 0.00 C ATOM 24 OG SER A 3 7.554 -4.971 -21.012 1.00 0.00 O ATOM 0 H SER A 3 6.256 -6.312 -18.912 1.00 0.00 H new ATOM 0 HA SER A 3 8.918 -5.488 -18.898 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.304 -4.115 -19.619 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.850 -3.316 -19.825 1.00 0.00 H new ATOM 0 HG SER A 3 7.178 -4.436 -21.742 1.00 0.00 H new ATOM 30 N GLY A 4 9.306 -4.224 -16.812 1.00 0.00 N ATOM 31 CA GLY A 4 9.578 -3.407 -15.644 1.00 0.00 C ATOM 32 C GLY A 4 9.401 -4.172 -14.347 1.00 0.00 C ATOM 33 O GLY A 4 8.316 -4.178 -13.765 1.00 0.00 O ATOM 0 H GLY A 4 10.090 -4.795 -17.128 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.597 -3.025 -15.701 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.914 -2.543 -15.646 1.00 0.00 H new ATOM 37 N SER A 5 10.469 -4.821 -13.894 1.00 0.00 N ATOM 38 CA SER A 5 10.424 -5.598 -12.661 1.00 0.00 C ATOM 39 C SER A 5 10.338 -4.681 -11.444 1.00 0.00 C ATOM 40 O SER A 5 11.349 -4.162 -10.971 1.00 0.00 O ATOM 41 CB SER A 5 11.660 -6.493 -12.552 1.00 0.00 C ATOM 42 OG SER A 5 11.573 -7.594 -13.440 1.00 0.00 O ATOM 0 H SER A 5 11.375 -4.824 -14.362 1.00 0.00 H new ATOM 0 HA SER A 5 9.532 -6.224 -12.687 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.555 -5.912 -12.775 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.762 -6.854 -11.529 1.00 0.00 H new ATOM 0 HG SER A 5 12.376 -8.149 -13.352 1.00 0.00 H new ATOM 48 N SER A 6 9.122 -4.487 -10.943 1.00 0.00 N ATOM 49 CA SER A 6 8.902 -3.630 -9.784 1.00 0.00 C ATOM 50 C SER A 6 8.670 -4.464 -8.527 1.00 0.00 C ATOM 51 O SER A 6 8.020 -5.508 -8.573 1.00 0.00 O ATOM 52 CB SER A 6 7.705 -2.708 -10.025 1.00 0.00 C ATOM 53 OG SER A 6 6.521 -3.455 -10.241 1.00 0.00 O ATOM 0 H SER A 6 8.275 -4.911 -11.321 1.00 0.00 H new ATOM 0 HA SER A 6 9.796 -3.024 -9.637 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.571 -2.049 -9.167 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.900 -2.072 -10.888 1.00 0.00 H new ATOM 0 HG SER A 6 5.771 -2.843 -10.391 1.00 0.00 H new ATOM 59 N GLY A 7 9.207 -3.996 -7.405 1.00 0.00 N ATOM 60 CA GLY A 7 9.049 -4.710 -6.152 1.00 0.00 C ATOM 61 C GLY A 7 9.289 -3.824 -4.946 1.00 0.00 C ATOM 62 O GLY A 7 9.884 -4.256 -3.959 1.00 0.00 O ATOM 0 H GLY A 7 9.749 -3.134 -7.341 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.043 -5.126 -6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.743 -5.550 -6.126 1.00 0.00 H new ATOM 66 N GLN A 8 8.826 -2.580 -5.025 1.00 0.00 N ATOM 67 CA GLN A 8 8.996 -1.631 -3.931 1.00 0.00 C ATOM 68 C GLN A 8 8.084 -1.981 -2.760 1.00 0.00 C ATOM 69 O GLN A 8 6.877 -1.746 -2.808 1.00 0.00 O ATOM 70 CB GLN A 8 8.704 -0.209 -4.412 1.00 0.00 C ATOM 71 CG GLN A 8 9.815 0.385 -5.264 1.00 0.00 C ATOM 72 CD GLN A 8 9.393 1.661 -5.966 1.00 0.00 C ATOM 73 OE1 GLN A 8 8.234 2.071 -5.891 1.00 0.00 O ATOM 74 NE2 GLN A 8 10.333 2.296 -6.655 1.00 0.00 N ATOM 0 H GLN A 8 8.331 -2.206 -5.835 1.00 0.00 H new ATOM 0 HA GLN A 8 10.030 -1.688 -3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.778 -0.212 -4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.539 0.432 -3.546 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.680 0.591 -4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.129 -0.348 -6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.281 1.921 -6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.108 3.159 -7.149 1.00 0.00 H new ATOM 83 N TYR A 9 8.670 -2.545 -1.709 1.00 0.00 N ATOM 84 CA TYR A 9 7.910 -2.931 -0.526 1.00 0.00 C ATOM 85 C TYR A 9 8.032 -1.874 0.568 1.00 0.00 C ATOM 86 O TYR A 9 9.131 -1.422 0.891 1.00 0.00 O ATOM 87 CB TYR A 9 8.395 -4.283 -0.001 1.00 0.00 C ATOM 88 CG TYR A 9 8.616 -5.310 -1.088 1.00 0.00 C ATOM 89 CD1 TYR A 9 7.558 -5.771 -1.862 1.00 0.00 C ATOM 90 CD2 TYR A 9 9.884 -5.820 -1.341 1.00 0.00 C ATOM 91 CE1 TYR A 9 7.756 -6.710 -2.855 1.00 0.00 C ATOM 92 CE2 TYR A 9 10.091 -6.758 -2.334 1.00 0.00 C ATOM 93 CZ TYR A 9 9.024 -7.201 -3.088 1.00 0.00 C ATOM 94 OH TYR A 9 9.226 -8.135 -4.077 1.00 0.00 O ATOM 0 H TYR A 9 9.669 -2.745 -1.652 1.00 0.00 H new ATOM 0 HA TYR A 9 6.861 -3.015 -0.810 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.327 -4.138 0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.665 -4.670 0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.564 -5.388 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.721 -5.477 -0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.922 -7.058 -3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.083 -7.143 -2.519 1.00 0.00 H new ATOM 0 HH TYR A 9 10.176 -8.375 -4.111 1.00 0.00 H new ATOM 104 N PHE A 10 6.895 -1.486 1.136 1.00 0.00 N ATOM 105 CA PHE A 10 6.873 -0.483 2.194 1.00 0.00 C ATOM 106 C PHE A 10 6.212 -1.035 3.454 1.00 0.00 C ATOM 107 O PHE A 10 5.460 -2.008 3.398 1.00 0.00 O ATOM 108 CB PHE A 10 6.131 0.770 1.723 1.00 0.00 C ATOM 109 CG PHE A 10 6.989 1.712 0.929 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.620 1.287 -0.229 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.166 3.023 1.340 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.411 2.151 -0.963 1.00 0.00 C ATOM 113 CE2 PHE A 10 7.955 3.892 0.611 1.00 0.00 C ATOM 114 CZ PHE A 10 8.579 3.456 -0.541 1.00 0.00 C ATOM 0 H PHE A 10 5.977 -1.851 0.881 1.00 0.00 H new ATOM 0 HA PHE A 10 7.904 -0.219 2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.277 0.470 1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.735 1.296 2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.492 0.268 -0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.682 3.370 2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.897 1.807 -1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.084 4.912 0.942 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.197 4.134 -1.111 1.00 0.00 H new ATOM 124 N VAL A 11 6.499 -0.407 4.590 1.00 0.00 N ATOM 125 CA VAL A 11 5.934 -0.834 5.864 1.00 0.00 C ATOM 126 C VAL A 11 5.127 0.286 6.510 1.00 0.00 C ATOM 127 O VAL A 11 5.596 1.418 6.621 1.00 0.00 O ATOM 128 CB VAL A 11 7.033 -1.290 6.841 1.00 0.00 C ATOM 129 CG1 VAL A 11 6.501 -1.325 8.266 1.00 0.00 C ATOM 130 CG2 VAL A 11 7.578 -2.650 6.434 1.00 0.00 C ATOM 0 H VAL A 11 7.120 0.400 4.654 1.00 0.00 H new ATOM 0 HA VAL A 11 5.276 -1.676 5.652 1.00 0.00 H new ATOM 0 HB VAL A 11 7.850 -0.570 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.292 -1.650 8.942 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.164 -0.329 8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.665 -2.022 8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.354 -2.956 7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.771 -3.383 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.000 -2.587 5.431 1.00 0.00 H new ATOM 140 N ALA A 12 3.910 -0.038 6.935 1.00 0.00 N ATOM 141 CA ALA A 12 3.038 0.940 7.573 1.00 0.00 C ATOM 142 C ALA A 12 3.462 1.196 9.015 1.00 0.00 C ATOM 143 O ALA A 12 3.363 0.312 9.868 1.00 0.00 O ATOM 144 CB ALA A 12 1.591 0.471 7.521 1.00 0.00 C ATOM 0 H ALA A 12 3.506 -0.971 6.849 1.00 0.00 H new ATOM 0 HA ALA A 12 3.124 1.878 7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.951 1.211 8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.286 0.347 6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.498 -0.482 8.043 1.00 0.00 H new ATOM 150 N LEU A 13 3.935 2.408 9.282 1.00 0.00 N ATOM 151 CA LEU A 13 4.375 2.780 10.622 1.00 0.00 C ATOM 152 C LEU A 13 3.181 3.015 11.542 1.00 0.00 C ATOM 153 O LEU A 13 3.240 2.729 12.738 1.00 0.00 O ATOM 154 CB LEU A 13 5.244 4.037 10.564 1.00 0.00 C ATOM 155 CG LEU A 13 6.499 3.947 9.695 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.857 5.313 9.130 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.662 3.377 10.495 1.00 0.00 C ATOM 0 H LEU A 13 4.024 3.150 8.588 1.00 0.00 H new ATOM 0 HA LEU A 13 4.964 1.957 11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.632 4.861 10.198 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.547 4.292 11.579 1.00 0.00 H new ATOM 0 HG LEU A 13 6.293 3.275 8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.753 5.229 8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.032 5.683 8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.044 6.008 9.949 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.547 3.320 9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.868 4.023 11.348 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.405 2.379 10.850 1.00 0.00 H new ATOM 169 N PHE A 14 2.098 3.535 10.975 1.00 0.00 N ATOM 170 CA PHE A 14 0.889 3.807 11.744 1.00 0.00 C ATOM 171 C PHE A 14 -0.349 3.303 11.008 1.00 0.00 C ATOM 172 O PHE A 14 -0.315 3.074 9.799 1.00 0.00 O ATOM 173 CB PHE A 14 0.758 5.308 12.015 1.00 0.00 C ATOM 174 CG PHE A 14 2.068 5.978 12.320 1.00 0.00 C ATOM 175 CD1 PHE A 14 2.913 6.374 11.295 1.00 0.00 C ATOM 176 CD2 PHE A 14 2.453 6.212 13.630 1.00 0.00 C ATOM 177 CE1 PHE A 14 4.118 6.990 11.573 1.00 0.00 C ATOM 178 CE2 PHE A 14 3.657 6.828 13.913 1.00 0.00 C ATOM 179 CZ PHE A 14 4.491 7.219 12.883 1.00 0.00 C ATOM 0 H PHE A 14 2.032 3.777 9.986 1.00 0.00 H new ATOM 0 HA PHE A 14 0.966 3.278 12.694 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.307 5.788 11.147 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.077 5.460 12.853 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.626 6.199 10.268 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.805 5.910 14.439 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.769 7.293 10.766 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.946 7.004 14.939 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.432 7.702 13.102 1.00 0.00 H new ATOM 189 N ASP A 15 -1.439 3.131 11.746 1.00 0.00 N ATOM 190 CA ASP A 15 -2.689 2.653 11.165 1.00 0.00 C ATOM 191 C ASP A 15 -3.399 3.772 10.409 1.00 0.00 C ATOM 192 O ASP A 15 -3.174 4.954 10.674 1.00 0.00 O ATOM 193 CB ASP A 15 -3.604 2.098 12.257 1.00 0.00 C ATOM 194 CG ASP A 15 -3.632 2.976 13.492 1.00 0.00 C ATOM 195 OD1 ASP A 15 -4.151 4.108 13.404 1.00 0.00 O ATOM 196 OD2 ASP A 15 -3.133 2.532 14.548 1.00 0.00 O ATOM 0 H ASP A 15 -1.483 3.315 12.748 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.453 1.856 10.460 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.615 1.998 11.863 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.269 1.098 12.533 1.00 0.00 H new ATOM 201 N TYR A 16 -4.255 3.392 9.468 1.00 0.00 N ATOM 202 CA TYR A 16 -4.996 4.363 8.671 1.00 0.00 C ATOM 203 C TYR A 16 -6.222 3.720 8.030 1.00 0.00 C ATOM 204 O TYR A 16 -6.165 2.585 7.559 1.00 0.00 O ATOM 205 CB TYR A 16 -4.094 4.959 7.588 1.00 0.00 C ATOM 206 CG TYR A 16 -4.852 5.699 6.509 1.00 0.00 C ATOM 207 CD1 TYR A 16 -5.224 7.027 6.679 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.195 5.069 5.319 1.00 0.00 C ATOM 209 CE1 TYR A 16 -5.917 7.706 5.695 1.00 0.00 C ATOM 210 CE2 TYR A 16 -5.887 5.741 4.329 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.246 7.059 4.523 1.00 0.00 C ATOM 212 OH TYR A 16 -6.935 7.732 3.540 1.00 0.00 O ATOM 0 H TYR A 16 -4.453 2.418 9.238 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.332 5.160 9.335 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.383 5.641 8.054 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.514 4.159 7.129 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.967 7.537 7.596 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.916 4.037 5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.199 8.738 5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.145 5.237 3.409 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.300 8.121 2.903 1.00 0.00 H new ATOM 222 N GLN A 17 -7.328 4.456 8.016 1.00 0.00 N ATOM 223 CA GLN A 17 -8.569 3.959 7.433 1.00 0.00 C ATOM 224 C GLN A 17 -8.978 4.797 6.227 1.00 0.00 C ATOM 225 O GLN A 17 -9.247 5.992 6.352 1.00 0.00 O ATOM 226 CB GLN A 17 -9.687 3.966 8.478 1.00 0.00 C ATOM 227 CG GLN A 17 -10.742 2.897 8.246 1.00 0.00 C ATOM 228 CD GLN A 17 -11.861 2.951 9.268 1.00 0.00 C ATOM 229 OE1 GLN A 17 -11.810 3.729 10.221 1.00 0.00 O ATOM 230 NE2 GLN A 17 -12.881 2.123 9.073 1.00 0.00 N ATOM 0 H GLN A 17 -7.391 5.398 8.401 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.400 2.935 7.100 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.250 3.825 9.467 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.167 4.945 8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.161 3.016 7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.272 1.914 8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.882 1.495 8.269 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.664 2.115 9.727 1.00 0.00 H new ATOM 239 N ALA A 18 -9.024 4.163 5.060 1.00 0.00 N ATOM 240 CA ALA A 18 -9.402 4.851 3.831 1.00 0.00 C ATOM 241 C ALA A 18 -10.679 5.660 4.026 1.00 0.00 C ATOM 242 O ALA A 18 -11.608 5.219 4.704 1.00 0.00 O ATOM 243 CB ALA A 18 -9.577 3.850 2.699 1.00 0.00 C ATOM 0 H ALA A 18 -8.804 3.174 4.939 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.601 5.543 3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.859 4.377 1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.640 3.318 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.358 3.136 2.962 1.00 0.00 H new ATOM 249 N ARG A 19 -10.719 6.847 3.430 1.00 0.00 N ATOM 250 CA ARG A 19 -11.882 7.719 3.540 1.00 0.00 C ATOM 251 C ARG A 19 -12.820 7.527 2.352 1.00 0.00 C ATOM 252 O ARG A 19 -14.014 7.816 2.436 1.00 0.00 O ATOM 253 CB ARG A 19 -11.443 9.182 3.624 1.00 0.00 C ATOM 254 CG ARG A 19 -10.458 9.458 4.748 1.00 0.00 C ATOM 255 CD ARG A 19 -11.165 9.592 6.088 1.00 0.00 C ATOM 256 NE ARG A 19 -10.232 9.890 7.172 1.00 0.00 N ATOM 257 CZ ARG A 19 -9.802 11.115 7.455 1.00 0.00 C ATOM 258 NH1 ARG A 19 -10.218 12.150 6.738 1.00 0.00 N ATOM 259 NH2 ARG A 19 -8.953 11.306 8.457 1.00 0.00 N ATOM 0 H ARG A 19 -9.959 7.227 2.866 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.418 7.454 4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -10.990 9.472 2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.324 9.810 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.728 8.650 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.906 10.373 4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.913 10.383 6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.697 8.667 6.311 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.892 9.116 7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.870 12.007 5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.886 13.089 6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.630 10.512 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.623 12.247 8.674 1.00 0.00 H new ATOM 273 N THR A 20 -12.272 7.036 1.245 1.00 0.00 N ATOM 274 CA THR A 20 -13.059 6.806 0.039 1.00 0.00 C ATOM 275 C THR A 20 -12.653 5.504 -0.642 1.00 0.00 C ATOM 276 O THR A 20 -11.570 4.975 -0.395 1.00 0.00 O ATOM 277 CB THR A 20 -12.904 7.966 -0.962 1.00 0.00 C ATOM 278 OG1 THR A 20 -11.531 8.104 -1.344 1.00 0.00 O ATOM 279 CG2 THR A 20 -13.402 9.271 -0.360 1.00 0.00 C ATOM 0 H THR A 20 -11.286 6.790 1.158 1.00 0.00 H new ATOM 0 HA THR A 20 -14.102 6.741 0.349 1.00 0.00 H new ATOM 0 HB THR A 20 -13.504 7.739 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.442 8.843 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 20 -13.282 10.075 -1.086 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.455 9.172 -0.098 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.826 9.502 0.536 1.00 0.00 H new ATOM 287 N ALA A 21 -13.529 4.993 -1.501 1.00 0.00 N ATOM 288 CA ALA A 21 -13.261 3.754 -2.220 1.00 0.00 C ATOM 289 C ALA A 21 -11.882 3.786 -2.872 1.00 0.00 C ATOM 290 O ALA A 21 -11.198 2.766 -2.945 1.00 0.00 O ATOM 291 CB ALA A 21 -14.336 3.508 -3.268 1.00 0.00 C ATOM 0 H ALA A 21 -14.431 5.418 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.276 2.935 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.123 2.579 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.308 3.433 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.348 4.335 -3.978 1.00 0.00 H new ATOM 297 N GLU A 22 -11.482 4.962 -3.343 1.00 0.00 N ATOM 298 CA GLU A 22 -10.185 5.125 -3.990 1.00 0.00 C ATOM 299 C GLU A 22 -9.050 4.846 -3.009 1.00 0.00 C ATOM 300 O GLU A 22 -8.110 4.115 -3.322 1.00 0.00 O ATOM 301 CB GLU A 22 -10.047 6.538 -4.559 1.00 0.00 C ATOM 302 CG GLU A 22 -11.018 6.837 -5.689 1.00 0.00 C ATOM 303 CD GLU A 22 -11.070 8.311 -6.039 1.00 0.00 C ATOM 304 OE1 GLU A 22 -10.771 9.142 -5.157 1.00 0.00 O ATOM 305 OE2 GLU A 22 -11.409 8.633 -7.198 1.00 0.00 O ATOM 0 H GLU A 22 -12.037 5.816 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.122 4.406 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.202 7.260 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.028 6.677 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.728 6.268 -6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.015 6.499 -5.405 1.00 0.00 H new ATOM 312 N ASP A 23 -9.143 5.435 -1.822 1.00 0.00 N ATOM 313 CA ASP A 23 -8.125 5.251 -0.795 1.00 0.00 C ATOM 314 C ASP A 23 -8.129 3.816 -0.277 1.00 0.00 C ATOM 315 O ASP A 23 -9.120 3.098 -0.414 1.00 0.00 O ATOM 316 CB ASP A 23 -8.355 6.225 0.362 1.00 0.00 C ATOM 317 CG ASP A 23 -7.963 7.646 0.009 1.00 0.00 C ATOM 318 OD1 ASP A 23 -6.838 7.843 -0.495 1.00 0.00 O ATOM 319 OD2 ASP A 23 -8.781 8.562 0.239 1.00 0.00 O ATOM 0 H ASP A 23 -9.914 6.044 -1.547 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.152 5.454 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.406 6.202 0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.781 5.897 1.229 1.00 0.00 H new ATOM 324 N LEU A 24 -7.014 3.404 0.318 1.00 0.00 N ATOM 325 CA LEU A 24 -6.888 2.054 0.856 1.00 0.00 C ATOM 326 C LEU A 24 -6.634 2.089 2.359 1.00 0.00 C ATOM 327 O LEU A 24 -5.941 2.974 2.862 1.00 0.00 O ATOM 328 CB LEU A 24 -5.753 1.308 0.152 1.00 0.00 C ATOM 329 CG LEU A 24 -5.692 -0.201 0.393 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.581 -0.936 -0.598 1.00 0.00 C ATOM 331 CD2 LEU A 24 -4.257 -0.699 0.296 1.00 0.00 C ATOM 0 H LEU A 24 -6.185 3.986 0.440 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.826 1.528 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.841 1.481 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.806 1.745 0.469 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.059 -0.404 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.525 -2.008 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.611 -0.601 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.245 -0.726 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.233 -1.775 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.863 -0.483 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.646 -0.196 1.046 1.00 0.00 H new ATOM 343 N SER A 25 -7.198 1.119 3.072 1.00 0.00 N ATOM 344 CA SER A 25 -7.034 1.039 4.519 1.00 0.00 C ATOM 345 C SER A 25 -5.974 0.006 4.889 1.00 0.00 C ATOM 346 O SER A 25 -5.817 -1.009 4.211 1.00 0.00 O ATOM 347 CB SER A 25 -8.364 0.684 5.186 1.00 0.00 C ATOM 348 OG SER A 25 -9.426 1.451 4.646 1.00 0.00 O ATOM 0 H SER A 25 -7.773 0.378 2.671 1.00 0.00 H new ATOM 0 HA SER A 25 -6.706 2.015 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.571 -0.377 5.049 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.294 0.859 6.260 1.00 0.00 H new ATOM 0 HG SER A 25 -10.265 1.204 5.088 1.00 0.00 H new ATOM 354 N PHE A 26 -5.250 0.273 5.971 1.00 0.00 N ATOM 355 CA PHE A 26 -4.204 -0.633 6.433 1.00 0.00 C ATOM 356 C PHE A 26 -3.906 -0.410 7.912 1.00 0.00 C ATOM 357 O PHE A 26 -4.392 0.546 8.517 1.00 0.00 O ATOM 358 CB PHE A 26 -2.929 -0.436 5.609 1.00 0.00 C ATOM 359 CG PHE A 26 -2.448 0.987 5.581 1.00 0.00 C ATOM 360 CD1 PHE A 26 -1.671 1.489 6.613 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.770 1.821 4.523 1.00 0.00 C ATOM 362 CE1 PHE A 26 -1.227 2.798 6.590 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.329 3.130 4.494 1.00 0.00 C ATOM 364 CZ PHE A 26 -1.556 3.619 5.529 1.00 0.00 C ATOM 0 H PHE A 26 -5.368 1.109 6.544 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.559 -1.655 6.302 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.141 -1.070 6.016 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.111 -0.770 4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.410 0.851 7.444 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.373 1.443 3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.623 3.178 7.401 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.588 3.770 3.663 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.209 4.642 5.509 1.00 0.00 H new ATOM 374 N ARG A 27 -3.104 -1.300 8.489 1.00 0.00 N ATOM 375 CA ARG A 27 -2.743 -1.202 9.898 1.00 0.00 C ATOM 376 C ARG A 27 -1.228 -1.133 10.067 1.00 0.00 C ATOM 377 O ARG A 27 -0.476 -1.375 9.123 1.00 0.00 O ATOM 378 CB ARG A 27 -3.299 -2.398 10.673 1.00 0.00 C ATOM 379 CG ARG A 27 -4.806 -2.351 10.867 1.00 0.00 C ATOM 380 CD ARG A 27 -5.228 -3.089 12.128 1.00 0.00 C ATOM 381 NE ARG A 27 -5.506 -4.499 11.870 1.00 0.00 N ATOM 382 CZ ARG A 27 -6.137 -5.293 12.728 1.00 0.00 C ATOM 383 NH1 ARG A 27 -6.555 -4.816 13.893 1.00 0.00 N ATOM 384 NH2 ARG A 27 -6.353 -6.565 12.421 1.00 0.00 N ATOM 0 H ARG A 27 -2.692 -2.096 8.002 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.178 -0.285 10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.038 -3.315 10.145 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.817 -2.443 11.649 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.135 -1.313 10.924 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.299 -2.794 10.002 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.441 -3.006 12.877 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.116 -2.615 12.545 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.199 -4.896 10.982 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.392 -3.838 14.132 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.039 -5.427 14.550 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.034 -6.935 11.525 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.838 -7.174 13.081 1.00 0.00 H new ATOM 398 N ALA A 28 -0.787 -0.801 11.276 1.00 0.00 N ATOM 399 CA ALA A 28 0.637 -0.701 11.569 1.00 0.00 C ATOM 400 C ALA A 28 1.332 -2.045 11.379 1.00 0.00 C ATOM 401 O ALA A 28 1.062 -3.002 12.103 1.00 0.00 O ATOM 402 CB ALA A 28 0.850 -0.190 12.986 1.00 0.00 C ATOM 0 H ALA A 28 -1.396 -0.597 12.068 1.00 0.00 H new ATOM 0 HA ALA A 28 1.078 0.009 10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.918 -0.120 13.191 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.396 0.795 13.090 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.389 -0.878 13.694 1.00 0.00 H new ATOM 408 N GLY A 29 2.229 -2.110 10.400 1.00 0.00 N ATOM 409 CA GLY A 29 2.948 -3.341 10.132 1.00 0.00 C ATOM 410 C GLY A 29 2.318 -4.150 9.016 1.00 0.00 C ATOM 411 O GLY A 29 2.467 -5.371 8.964 1.00 0.00 O ATOM 0 H GLY A 29 2.471 -1.331 9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.979 -3.106 9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.981 -3.944 11.040 1.00 0.00 H new ATOM 415 N ASP A 30 1.610 -3.469 8.121 1.00 0.00 N ATOM 416 CA ASP A 30 0.954 -4.132 7.001 1.00 0.00 C ATOM 417 C ASP A 30 1.791 -4.012 5.732 1.00 0.00 C ATOM 418 O ASP A 30 1.970 -2.920 5.194 1.00 0.00 O ATOM 419 CB ASP A 30 -0.435 -3.534 6.769 1.00 0.00 C ATOM 420 CG ASP A 30 -1.505 -4.215 7.598 1.00 0.00 C ATOM 421 OD1 ASP A 30 -1.335 -4.299 8.832 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.513 -4.666 7.014 1.00 0.00 O ATOM 0 H ASP A 30 1.476 -2.458 8.150 1.00 0.00 H new ATOM 0 HA ASP A 30 0.850 -5.189 7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.414 -2.471 7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.691 -3.616 5.713 1.00 0.00 H new ATOM 427 N LYS A 31 2.305 -5.143 5.258 1.00 0.00 N ATOM 428 CA LYS A 31 3.124 -5.166 4.053 1.00 0.00 C ATOM 429 C LYS A 31 2.327 -4.687 2.844 1.00 0.00 C ATOM 430 O LYS A 31 1.276 -5.242 2.520 1.00 0.00 O ATOM 431 CB LYS A 31 3.655 -6.579 3.799 1.00 0.00 C ATOM 432 CG LYS A 31 4.883 -6.924 4.623 1.00 0.00 C ATOM 433 CD LYS A 31 6.161 -6.470 3.938 1.00 0.00 C ATOM 434 CE LYS A 31 7.360 -7.284 4.398 1.00 0.00 C ATOM 435 NZ LYS A 31 8.532 -7.103 3.497 1.00 0.00 N ATOM 0 H LYS A 31 2.168 -6.056 5.691 1.00 0.00 H new ATOM 0 HA LYS A 31 3.965 -4.489 4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.867 -7.299 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.897 -6.683 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.808 -6.454 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.921 -8.001 4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.049 -6.564 2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.333 -5.415 4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.632 -6.989 5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.090 -8.339 4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.329 -7.674 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.281 -7.408 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.806 -6.100 3.481 1.00 0.00 H new ATOM 449 N LEU A 32 2.833 -3.654 2.179 1.00 0.00 N ATOM 450 CA LEU A 32 2.168 -3.100 1.004 1.00 0.00 C ATOM 451 C LEU A 32 3.176 -2.801 -0.101 1.00 0.00 C ATOM 452 O LEU A 32 4.260 -2.280 0.160 1.00 0.00 O ATOM 453 CB LEU A 32 1.409 -1.826 1.376 1.00 0.00 C ATOM 454 CG LEU A 32 0.295 -1.986 2.412 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.042 -0.670 3.131 1.00 0.00 C ATOM 456 CD2 LEU A 32 -0.980 -2.489 1.750 1.00 0.00 C ATOM 0 H LEU A 32 3.701 -3.183 2.433 1.00 0.00 H new ATOM 0 HA LEU A 32 1.460 -3.842 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.126 -1.097 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.976 -1.407 0.468 1.00 0.00 H new ATOM 0 HG LEU A 32 0.613 -2.723 3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.754 -0.803 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.953 -0.351 3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.255 0.089 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.762 -2.597 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.302 -1.776 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.790 -3.455 1.282 1.00 0.00 H new ATOM 468 N GLN A 33 2.810 -3.133 -1.335 1.00 0.00 N ATOM 469 CA GLN A 33 3.682 -2.898 -2.479 1.00 0.00 C ATOM 470 C GLN A 33 3.274 -1.631 -3.224 1.00 0.00 C ATOM 471 O GLN A 33 2.147 -1.517 -3.706 1.00 0.00 O ATOM 472 CB GLN A 33 3.646 -4.096 -3.430 1.00 0.00 C ATOM 473 CG GLN A 33 4.779 -4.103 -4.443 1.00 0.00 C ATOM 474 CD GLN A 33 4.922 -5.438 -5.148 1.00 0.00 C ATOM 475 OE1 GLN A 33 6.026 -5.847 -5.509 1.00 0.00 O ATOM 476 NE2 GLN A 33 3.804 -6.125 -5.349 1.00 0.00 N ATOM 0 H GLN A 33 1.916 -3.565 -1.568 1.00 0.00 H new ATOM 0 HA GLN A 33 4.698 -2.768 -2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.687 -5.015 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.694 -4.099 -3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.605 -3.322 -5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.714 -3.861 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.910 -5.748 -5.033 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.839 -7.030 -5.819 1.00 0.00 H new ATOM 485 N VAL A 34 4.198 -0.680 -3.313 1.00 0.00 N ATOM 486 CA VAL A 34 3.935 0.580 -4.000 1.00 0.00 C ATOM 487 C VAL A 34 4.063 0.419 -5.510 1.00 0.00 C ATOM 488 O VAL A 34 5.152 0.170 -6.029 1.00 0.00 O ATOM 489 CB VAL A 34 4.896 1.687 -3.529 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.662 2.968 -4.316 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.735 1.932 -2.036 1.00 0.00 C ATOM 0 H VAL A 34 5.135 -0.757 -2.918 1.00 0.00 H new ATOM 0 HA VAL A 34 2.913 0.868 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 34 5.919 1.358 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.350 3.739 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.832 2.780 -5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.636 3.304 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.422 2.717 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.711 2.240 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.957 1.015 -1.491 1.00 0.00 H new ATOM 501 N LEU A 35 2.945 0.564 -6.212 1.00 0.00 N ATOM 502 CA LEU A 35 2.931 0.436 -7.665 1.00 0.00 C ATOM 503 C LEU A 35 3.047 1.803 -8.333 1.00 0.00 C ATOM 504 O LEU A 35 3.912 2.018 -9.182 1.00 0.00 O ATOM 505 CB LEU A 35 1.649 -0.261 -8.123 1.00 0.00 C ATOM 506 CG LEU A 35 1.134 -1.381 -7.219 1.00 0.00 C ATOM 507 CD1 LEU A 35 -0.336 -1.657 -7.494 1.00 0.00 C ATOM 508 CD2 LEU A 35 1.960 -2.645 -7.412 1.00 0.00 C ATOM 0 H LEU A 35 2.036 0.770 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 35 3.790 -0.166 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.865 0.490 -8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.819 -0.673 -9.118 1.00 0.00 H new ATOM 0 HG LEU A 35 1.234 -1.059 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.684 -2.457 -6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.917 -0.755 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.461 -1.957 -8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.579 -3.432 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.892 -2.969 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.001 -2.441 -7.163 1.00 0.00 H new ATOM 520 N ASP A 36 2.172 2.722 -7.943 1.00 0.00 N ATOM 521 CA ASP A 36 2.178 4.070 -8.501 1.00 0.00 C ATOM 522 C ASP A 36 2.754 5.069 -7.503 1.00 0.00 C ATOM 523 O ASP A 36 2.375 5.082 -6.331 1.00 0.00 O ATOM 524 CB ASP A 36 0.761 4.486 -8.899 1.00 0.00 C ATOM 525 CG ASP A 36 0.749 5.467 -10.056 1.00 0.00 C ATOM 526 OD1 ASP A 36 1.160 6.628 -9.852 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.329 5.073 -11.164 1.00 0.00 O ATOM 0 H ASP A 36 1.449 2.559 -7.242 1.00 0.00 H new ATOM 0 HA ASP A 36 2.810 4.066 -9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.188 3.600 -9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.263 4.935 -8.040 1.00 0.00 H new ATOM 532 N THR A 37 3.673 5.906 -7.974 1.00 0.00 N ATOM 533 CA THR A 37 4.303 6.907 -7.123 1.00 0.00 C ATOM 534 C THR A 37 4.344 8.267 -7.812 1.00 0.00 C ATOM 535 O THR A 37 5.237 9.076 -7.557 1.00 0.00 O ATOM 536 CB THR A 37 5.736 6.496 -6.738 1.00 0.00 C ATOM 537 OG1 THR A 37 6.533 6.334 -7.916 1.00 0.00 O ATOM 538 CG2 THR A 37 5.731 5.200 -5.941 1.00 0.00 C ATOM 0 H THR A 37 3.998 5.910 -8.941 1.00 0.00 H new ATOM 0 HA THR A 37 3.699 6.979 -6.219 1.00 0.00 H new ATOM 0 HB THR A 37 6.162 7.285 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.443 6.074 -7.662 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.754 4.929 -5.680 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.148 5.335 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.287 4.406 -6.541 1.00 0.00 H new ATOM 546 N SER A 38 3.373 8.512 -8.686 1.00 0.00 N ATOM 547 CA SER A 38 3.301 9.774 -9.414 1.00 0.00 C ATOM 548 C SER A 38 2.826 10.901 -8.502 1.00 0.00 C ATOM 549 O SER A 38 3.614 11.748 -8.081 1.00 0.00 O ATOM 550 CB SER A 38 2.361 9.641 -10.613 1.00 0.00 C ATOM 551 OG SER A 38 2.993 8.962 -11.684 1.00 0.00 O ATOM 0 H SER A 38 2.626 7.854 -8.907 1.00 0.00 H new ATOM 0 HA SER A 38 4.302 10.018 -9.771 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.462 9.101 -10.316 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.044 10.631 -10.942 1.00 0.00 H new ATOM 0 HG SER A 38 2.371 8.888 -12.437 1.00 0.00 H new ATOM 557 N HIS A 39 1.531 10.904 -8.202 1.00 0.00 N ATOM 558 CA HIS A 39 0.949 11.926 -7.340 1.00 0.00 C ATOM 559 C HIS A 39 1.719 12.034 -6.027 1.00 0.00 C ATOM 560 O HIS A 39 1.560 11.202 -5.134 1.00 0.00 O ATOM 561 CB HIS A 39 -0.520 11.609 -7.057 1.00 0.00 C ATOM 562 CG HIS A 39 -1.318 12.801 -6.624 1.00 0.00 C ATOM 563 ND1 HIS A 39 -1.002 13.555 -5.514 1.00 0.00 N ATOM 564 CD2 HIS A 39 -2.423 13.369 -7.161 1.00 0.00 C ATOM 565 CE1 HIS A 39 -1.879 14.534 -5.385 1.00 0.00 C ATOM 566 NE2 HIS A 39 -2.752 14.444 -6.372 1.00 0.00 N ATOM 0 H HIS A 39 0.865 10.210 -8.543 1.00 0.00 H new ATOM 0 HA HIS A 39 1.014 12.882 -7.859 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.971 11.187 -7.955 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.575 10.844 -6.282 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.948 13.039 -8.045 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.882 15.281 -4.605 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.542 15.071 -6.524 1.00 0.00 H new ATOM 575 N GLU A 40 2.555 13.062 -5.919 1.00 0.00 N ATOM 576 CA GLU A 40 3.351 13.276 -4.717 1.00 0.00 C ATOM 577 C GLU A 40 2.476 13.220 -3.468 1.00 0.00 C ATOM 578 O GLU A 40 1.582 14.046 -3.286 1.00 0.00 O ATOM 579 CB GLU A 40 4.072 14.624 -4.788 1.00 0.00 C ATOM 580 CG GLU A 40 5.271 14.624 -5.721 1.00 0.00 C ATOM 581 CD GLU A 40 6.175 15.822 -5.509 1.00 0.00 C ATOM 582 OE1 GLU A 40 5.845 16.912 -6.023 1.00 0.00 O ATOM 583 OE2 GLU A 40 7.212 15.671 -4.830 1.00 0.00 O ATOM 0 H GLU A 40 2.698 13.759 -6.650 1.00 0.00 H new ATOM 0 HA GLU A 40 4.092 12.479 -4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.366 15.387 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.401 14.904 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.844 13.710 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.923 14.615 -6.754 1.00 0.00 H new ATOM 590 N GLY A 41 2.739 12.239 -2.610 1.00 0.00 N ATOM 591 CA GLY A 41 1.967 12.092 -1.390 1.00 0.00 C ATOM 592 C GLY A 41 1.173 10.802 -1.358 1.00 0.00 C ATOM 593 O GLY A 41 1.389 9.954 -0.492 1.00 0.00 O ATOM 0 H GLY A 41 3.474 11.543 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.639 12.122 -0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.286 12.937 -1.291 1.00 0.00 H new ATOM 597 N TRP A 42 0.251 10.653 -2.302 1.00 0.00 N ATOM 598 CA TRP A 42 -0.580 9.457 -2.377 1.00 0.00 C ATOM 599 C TRP A 42 -0.019 8.467 -3.392 1.00 0.00 C ATOM 600 O TRP A 42 0.265 8.829 -4.534 1.00 0.00 O ATOM 601 CB TRP A 42 -2.016 9.830 -2.750 1.00 0.00 C ATOM 602 CG TRP A 42 -2.672 10.736 -1.752 1.00 0.00 C ATOM 603 CD1 TRP A 42 -2.658 12.102 -1.753 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.436 10.341 -0.608 1.00 0.00 C ATOM 605 NE1 TRP A 42 -3.368 12.580 -0.678 1.00 0.00 N ATOM 606 CE2 TRP A 42 -3.856 11.519 0.040 1.00 0.00 C ATOM 607 CE3 TRP A 42 -3.807 9.107 -0.068 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -4.627 11.497 1.199 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -4.573 9.086 1.082 1.00 0.00 C ATOM 610 CH2 TRP A 42 -4.976 10.275 1.705 1.00 0.00 C ATOM 0 H TRP A 42 0.060 11.345 -3.026 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.579 8.983 -1.396 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.016 10.315 -3.726 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.607 8.919 -2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.162 12.716 -2.490 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.509 13.564 -0.451 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.501 8.186 -0.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.938 12.412 1.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.866 8.138 1.508 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.574 10.225 2.603 1.00 0.00 H new ATOM 621 N TRP A 43 0.138 7.218 -2.969 1.00 0.00 N ATOM 622 CA TRP A 43 0.666 6.176 -3.844 1.00 0.00 C ATOM 623 C TRP A 43 -0.325 5.025 -3.978 1.00 0.00 C ATOM 624 O TRP A 43 -1.064 4.716 -3.042 1.00 0.00 O ATOM 625 CB TRP A 43 1.999 5.656 -3.305 1.00 0.00 C ATOM 626 CG TRP A 43 3.059 6.713 -3.222 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.114 7.876 -3.935 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.217 6.702 -2.380 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.236 8.589 -3.588 1.00 0.00 N ATOM 630 CE2 TRP A 43 4.929 7.890 -2.635 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.721 5.805 -1.435 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.117 8.201 -1.979 1.00 0.00 C ATOM 633 CZ3 TRP A 43 5.900 6.114 -0.784 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.587 7.305 -1.058 1.00 0.00 C ATOM 0 H TRP A 43 -0.092 6.902 -2.027 1.00 0.00 H new ATOM 0 HA TRP A 43 0.826 6.611 -4.831 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.841 5.231 -2.314 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.351 4.848 -3.946 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.383 8.190 -4.665 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.509 9.492 -3.977 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.198 4.886 -1.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.649 9.117 -2.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.299 5.427 -0.052 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.505 7.519 -0.532 1.00 0.00 H new ATOM 645 N LEU A 44 -0.338 4.395 -5.147 1.00 0.00 N ATOM 646 CA LEU A 44 -1.239 3.277 -5.404 1.00 0.00 C ATOM 647 C LEU A 44 -0.543 1.945 -5.140 1.00 0.00 C ATOM 648 O LEU A 44 0.258 1.481 -5.951 1.00 0.00 O ATOM 649 CB LEU A 44 -1.744 3.324 -6.847 1.00 0.00 C ATOM 650 CG LEU A 44 -2.624 2.154 -7.289 1.00 0.00 C ATOM 651 CD1 LEU A 44 -4.009 2.265 -6.671 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.718 2.102 -8.807 1.00 0.00 C ATOM 0 H LEU A 44 0.265 4.639 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.088 3.363 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.307 4.248 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.881 3.375 -7.511 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.167 1.228 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.621 1.424 -6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.925 2.253 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.475 3.198 -6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.348 1.263 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.152 3.031 -9.177 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.721 1.974 -9.229 1.00 0.00 H new ATOM 664 N ALA A 45 -0.857 1.335 -4.002 1.00 0.00 N ATOM 665 CA ALA A 45 -0.266 0.054 -3.634 1.00 0.00 C ATOM 666 C ALA A 45 -1.323 -1.043 -3.579 1.00 0.00 C ATOM 667 O ALA A 45 -2.510 -0.785 -3.780 1.00 0.00 O ATOM 668 CB ALA A 45 0.449 0.169 -2.295 1.00 0.00 C ATOM 0 H ALA A 45 -1.517 1.707 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 45 0.461 -0.217 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.886 -0.794 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.238 0.918 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.264 0.466 -1.526 1.00 0.00 H new ATOM 674 N ARG A 46 -0.885 -2.268 -3.306 1.00 0.00 N ATOM 675 CA ARG A 46 -1.794 -3.405 -3.227 1.00 0.00 C ATOM 676 C ARG A 46 -1.526 -4.228 -1.971 1.00 0.00 C ATOM 677 O ARG A 46 -0.408 -4.246 -1.454 1.00 0.00 O ATOM 678 CB ARG A 46 -1.651 -4.287 -4.468 1.00 0.00 C ATOM 679 CG ARG A 46 -0.315 -5.008 -4.552 1.00 0.00 C ATOM 680 CD ARG A 46 -0.390 -6.214 -5.476 1.00 0.00 C ATOM 681 NE ARG A 46 -1.286 -7.244 -4.959 1.00 0.00 N ATOM 682 CZ ARG A 46 -1.653 -8.315 -5.653 1.00 0.00 C ATOM 683 NH1 ARG A 46 -1.202 -8.496 -6.887 1.00 0.00 N ATOM 684 NH2 ARG A 46 -2.472 -9.209 -5.114 1.00 0.00 N ATOM 0 H ARG A 46 0.094 -2.498 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.813 -3.021 -3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.453 -5.025 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.778 -3.671 -5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.449 -4.319 -4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.011 -5.330 -3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.733 -5.896 -6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.608 -6.633 -5.606 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.650 -7.135 -4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.572 -7.812 -7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.485 -9.320 -7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.821 -9.074 -4.165 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.753 -10.031 -5.649 1.00 0.00 H new ATOM 698 N HIS A 47 -2.559 -4.909 -1.484 1.00 0.00 N ATOM 699 CA HIS A 47 -2.435 -5.735 -0.288 1.00 0.00 C ATOM 700 C HIS A 47 -1.762 -7.065 -0.614 1.00 0.00 C ATOM 701 O HIS A 47 -2.236 -7.821 -1.462 1.00 0.00 O ATOM 702 CB HIS A 47 -3.811 -5.985 0.330 1.00 0.00 C ATOM 703 CG HIS A 47 -4.211 -4.952 1.338 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.547 -4.769 2.532 1.00 0.00 N ATOM 705 CD2 HIS A 47 -5.214 -4.043 1.323 1.00 0.00 C ATOM 706 CE1 HIS A 47 -4.125 -3.793 3.210 1.00 0.00 C ATOM 707 NE2 HIS A 47 -5.139 -3.335 2.498 1.00 0.00 N ATOM 0 H HIS A 47 -3.491 -4.905 -1.899 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.814 -5.200 0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.557 -6.014 -0.464 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.814 -6.966 0.806 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.938 -3.901 0.534 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.820 -3.431 4.181 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.765 -2.579 2.775 1.00 0.00 H new ATOM 716 N LEU A 48 -0.654 -7.343 0.065 1.00 0.00 N ATOM 717 CA LEU A 48 0.086 -8.582 -0.152 1.00 0.00 C ATOM 718 C LEU A 48 -0.412 -9.683 0.778 1.00 0.00 C ATOM 719 O LEU A 48 -0.571 -10.831 0.365 1.00 0.00 O ATOM 720 CB LEU A 48 1.582 -8.350 0.067 1.00 0.00 C ATOM 721 CG LEU A 48 2.195 -7.167 -0.683 1.00 0.00 C ATOM 722 CD1 LEU A 48 3.402 -6.627 0.068 1.00 0.00 C ATOM 723 CD2 LEU A 48 2.583 -7.575 -2.097 1.00 0.00 C ATOM 0 H LEU A 48 -0.248 -6.728 0.770 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.079 -8.900 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.755 -8.207 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.116 -9.255 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 48 1.448 -6.375 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.825 -5.786 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.095 -6.296 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.152 -7.412 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.018 -6.721 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.313 -8.384 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.697 -7.913 -2.634 1.00 0.00 H new ATOM 735 N GLU A 49 -0.657 -9.324 2.034 1.00 0.00 N ATOM 736 CA GLU A 49 -1.138 -10.283 3.022 1.00 0.00 C ATOM 737 C GLU A 49 -2.225 -11.176 2.430 1.00 0.00 C ATOM 738 O GLU A 49 -3.252 -10.691 1.955 1.00 0.00 O ATOM 739 CB GLU A 49 -1.677 -9.553 4.254 1.00 0.00 C ATOM 740 CG GLU A 49 -0.619 -9.270 5.306 1.00 0.00 C ATOM 741 CD GLU A 49 -1.177 -8.545 6.515 1.00 0.00 C ATOM 742 OE1 GLU A 49 -1.285 -7.302 6.465 1.00 0.00 O ATOM 743 OE2 GLU A 49 -1.507 -9.222 7.512 1.00 0.00 O ATOM 0 H GLU A 49 -0.531 -8.377 2.391 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.298 -10.911 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.126 -8.611 3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.471 -10.151 4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.170 -10.210 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.177 -8.671 4.863 1.00 0.00 H new ATOM 750 N LYS A 50 -1.990 -12.483 2.461 1.00 0.00 N ATOM 751 CA LYS A 50 -2.947 -13.446 1.929 1.00 0.00 C ATOM 752 C LYS A 50 -3.341 -14.466 2.992 1.00 0.00 C ATOM 753 O LYS A 50 -2.618 -15.431 3.240 1.00 0.00 O ATOM 754 CB LYS A 50 -2.357 -14.163 0.712 1.00 0.00 C ATOM 755 CG LYS A 50 -0.892 -14.529 0.873 1.00 0.00 C ATOM 756 CD LYS A 50 -0.230 -14.784 -0.470 1.00 0.00 C ATOM 757 CE LYS A 50 1.022 -15.634 -0.322 1.00 0.00 C ATOM 758 NZ LYS A 50 1.899 -15.545 -1.523 1.00 0.00 N ATOM 0 H LYS A 50 -1.144 -12.900 2.849 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.841 -12.902 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.931 -15.070 0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.469 -13.525 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.370 -13.724 1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.805 -15.418 1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.934 -15.284 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.028 -13.833 -0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.578 -15.311 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.738 -16.673 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.741 -16.138 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.377 -15.877 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.191 -14.557 -1.667 1.00 0.00 H new ATOM 772 N LYS A 51 -4.493 -14.247 3.617 1.00 0.00 N ATOM 773 CA LYS A 51 -4.986 -15.148 4.652 1.00 0.00 C ATOM 774 C LYS A 51 -6.385 -14.742 5.106 1.00 0.00 C ATOM 775 O LYS A 51 -6.658 -13.563 5.328 1.00 0.00 O ATOM 776 CB LYS A 51 -4.032 -15.154 5.848 1.00 0.00 C ATOM 777 CG LYS A 51 -4.011 -16.472 6.603 1.00 0.00 C ATOM 778 CD LYS A 51 -2.681 -16.693 7.303 1.00 0.00 C ATOM 779 CE LYS A 51 -2.362 -18.174 7.439 1.00 0.00 C ATOM 780 NZ LYS A 51 -1.603 -18.688 6.266 1.00 0.00 N ATOM 0 H LYS A 51 -5.103 -13.453 3.425 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.037 -16.152 4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.024 -14.929 5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.318 -14.357 6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.816 -16.484 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.199 -17.292 5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.887 -16.199 6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.708 -16.233 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.782 -18.339 8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.289 -18.737 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.405 -19.701 6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.167 -18.554 5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.706 -18.169 6.178 1.00 0.00 H new ATOM 794 N GLY A 52 -7.267 -15.727 5.242 1.00 0.00 N ATOM 795 CA GLY A 52 -8.626 -15.452 5.670 1.00 0.00 C ATOM 796 C GLY A 52 -9.207 -14.222 5.001 1.00 0.00 C ATOM 797 O GLY A 52 -9.681 -13.305 5.672 1.00 0.00 O ATOM 0 H GLY A 52 -7.065 -16.711 5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.255 -16.314 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.643 -15.316 6.751 1.00 0.00 H new ATOM 801 N THR A 53 -9.170 -14.201 3.672 1.00 0.00 N ATOM 802 CA THR A 53 -9.694 -13.073 2.911 1.00 0.00 C ATOM 803 C THR A 53 -11.219 -13.071 2.911 1.00 0.00 C ATOM 804 O THR A 53 -11.848 -12.061 3.220 1.00 0.00 O ATOM 805 CB THR A 53 -9.192 -13.096 1.455 1.00 0.00 C ATOM 806 OG1 THR A 53 -9.432 -14.383 0.874 1.00 0.00 O ATOM 807 CG2 THR A 53 -7.707 -12.774 1.390 1.00 0.00 C ATOM 0 H THR A 53 -8.783 -14.952 3.101 1.00 0.00 H new ATOM 0 HA THR A 53 -9.332 -12.168 3.398 1.00 0.00 H new ATOM 0 HB THR A 53 -9.737 -12.337 0.894 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.112 -14.389 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.375 -12.796 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.531 -11.782 1.806 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.149 -13.513 1.965 1.00 0.00 H new ATOM 815 N GLY A 54 -11.807 -14.212 2.562 1.00 0.00 N ATOM 816 CA GLY A 54 -13.254 -14.319 2.528 1.00 0.00 C ATOM 817 C GLY A 54 -13.855 -13.683 1.290 1.00 0.00 C ATOM 818 O GLY A 54 -13.641 -14.157 0.174 1.00 0.00 O ATOM 0 H GLY A 54 -11.308 -15.063 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.538 -15.371 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.671 -13.843 3.416 1.00 0.00 H new ATOM 822 N LEU A 55 -14.610 -12.608 1.487 1.00 0.00 N ATOM 823 CA LEU A 55 -15.245 -11.906 0.377 1.00 0.00 C ATOM 824 C LEU A 55 -14.266 -10.948 -0.293 1.00 0.00 C ATOM 825 O LEU A 55 -13.395 -10.376 0.361 1.00 0.00 O ATOM 826 CB LEU A 55 -16.473 -11.137 0.870 1.00 0.00 C ATOM 827 CG LEU A 55 -17.354 -10.514 -0.214 1.00 0.00 C ATOM 828 CD1 LEU A 55 -18.797 -10.427 0.257 1.00 0.00 C ATOM 829 CD2 LEU A 55 -16.832 -9.137 -0.598 1.00 0.00 C ATOM 0 H LEU A 55 -14.797 -12.204 2.404 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.559 -12.647 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.087 -11.814 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.136 -10.343 1.537 1.00 0.00 H new ATOM 0 HG LEU A 55 -17.319 -11.153 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.409 -9.981 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -19.167 -11.427 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.850 -9.810 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.471 -8.708 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.837 -8.489 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.814 -9.227 -0.977 1.00 0.00 H new ATOM 841 N GLY A 56 -14.417 -10.775 -1.603 1.00 0.00 N ATOM 842 CA GLY A 56 -13.541 -9.883 -2.340 1.00 0.00 C ATOM 843 C GLY A 56 -13.604 -8.457 -1.831 1.00 0.00 C ATOM 844 O GLY A 56 -14.542 -7.723 -2.139 1.00 0.00 O ATOM 0 H GLY A 56 -15.131 -11.237 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.516 -10.246 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.814 -9.901 -3.395 1.00 0.00 H new ATOM 848 N GLN A 57 -12.604 -8.065 -1.048 1.00 0.00 N ATOM 849 CA GLN A 57 -12.552 -6.718 -0.493 1.00 0.00 C ATOM 850 C GLN A 57 -11.446 -5.901 -1.151 1.00 0.00 C ATOM 851 O GLN A 57 -10.560 -6.451 -1.805 1.00 0.00 O ATOM 852 CB GLN A 57 -12.330 -6.775 1.020 1.00 0.00 C ATOM 853 CG GLN A 57 -10.968 -7.323 1.414 1.00 0.00 C ATOM 854 CD GLN A 57 -10.897 -8.834 1.318 1.00 0.00 C ATOM 855 OE1 GLN A 57 -11.583 -9.547 2.051 1.00 0.00 O ATOM 856 NE2 GLN A 57 -10.064 -9.332 0.412 1.00 0.00 N ATOM 0 H GLN A 57 -11.819 -8.661 -0.784 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.507 -6.232 -0.695 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.443 -5.773 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.106 -7.395 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.205 -6.886 0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.739 -7.016 2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.514 -8.704 -0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.974 -10.342 0.303 1.00 0.00 H new ATOM 865 N GLN A 58 -11.503 -4.585 -0.974 1.00 0.00 N ATOM 866 CA GLN A 58 -10.506 -3.692 -1.553 1.00 0.00 C ATOM 867 C GLN A 58 -9.096 -4.220 -1.309 1.00 0.00 C ATOM 868 O GLN A 58 -8.791 -4.730 -0.230 1.00 0.00 O ATOM 869 CB GLN A 58 -10.646 -2.287 -0.965 1.00 0.00 C ATOM 870 CG GLN A 58 -10.119 -1.190 -1.876 1.00 0.00 C ATOM 871 CD GLN A 58 -10.718 0.167 -1.563 1.00 0.00 C ATOM 872 OE1 GLN A 58 -10.148 0.949 -0.801 1.00 0.00 O ATOM 873 NE2 GLN A 58 -11.873 0.454 -2.151 1.00 0.00 N ATOM 0 H GLN A 58 -12.229 -4.113 -0.434 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.677 -3.646 -2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.697 -2.095 -0.750 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.114 -2.245 -0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.035 -1.135 -1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.336 -1.448 -2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.310 -0.224 -2.775 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.324 1.353 -1.979 1.00 0.00 H new ATOM 882 N LEU A 59 -8.241 -4.095 -2.317 1.00 0.00 N ATOM 883 CA LEU A 59 -6.862 -4.560 -2.213 1.00 0.00 C ATOM 884 C LEU A 59 -5.888 -3.490 -2.695 1.00 0.00 C ATOM 885 O LEU A 59 -4.792 -3.346 -2.153 1.00 0.00 O ATOM 886 CB LEU A 59 -6.672 -5.842 -3.026 1.00 0.00 C ATOM 887 CG LEU A 59 -7.162 -5.796 -4.474 1.00 0.00 C ATOM 888 CD1 LEU A 59 -6.519 -6.907 -5.290 1.00 0.00 C ATOM 889 CD2 LEU A 59 -8.679 -5.901 -4.528 1.00 0.00 C ATOM 0 H LEU A 59 -8.478 -3.676 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.654 -4.768 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.611 -6.092 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.189 -6.653 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.869 -4.839 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.879 -6.859 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.436 -6.786 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.781 -7.873 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.009 -5.867 -5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.995 -6.842 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.121 -5.070 -3.979 1.00 0.00 H new ATOM 901 N GLN A 60 -6.297 -2.740 -3.713 1.00 0.00 N ATOM 902 CA GLN A 60 -5.461 -1.681 -4.266 1.00 0.00 C ATOM 903 C GLN A 60 -6.122 -0.318 -4.093 1.00 0.00 C ATOM 904 O GLN A 60 -7.327 -0.172 -4.295 1.00 0.00 O ATOM 905 CB GLN A 60 -5.184 -1.942 -5.748 1.00 0.00 C ATOM 906 CG GLN A 60 -3.938 -2.777 -5.996 1.00 0.00 C ATOM 907 CD GLN A 60 -3.784 -3.177 -7.450 1.00 0.00 C ATOM 908 OE1 GLN A 60 -3.705 -4.362 -7.775 1.00 0.00 O ATOM 909 NE2 GLN A 60 -3.741 -2.188 -8.335 1.00 0.00 N ATOM 0 H GLN A 60 -7.202 -2.846 -4.172 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.517 -1.678 -3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.044 -2.449 -6.186 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.080 -0.987 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.059 -2.213 -5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.978 -3.674 -5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.810 -1.220 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.639 -2.396 -9.328 1.00 0.00 H new ATOM 918 N GLY A 61 -5.326 0.677 -3.716 1.00 0.00 N ATOM 919 CA GLY A 61 -5.852 2.016 -3.521 1.00 0.00 C ATOM 920 C GLY A 61 -4.769 3.022 -3.186 1.00 0.00 C ATOM 921 O GLY A 61 -3.594 2.668 -3.083 1.00 0.00 O ATOM 0 H GLY A 61 -4.326 0.580 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.372 2.334 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.589 2.000 -2.718 1.00 0.00 H new ATOM 925 N TYR A 62 -5.164 4.279 -3.018 1.00 0.00 N ATOM 926 CA TYR A 62 -4.217 5.341 -2.697 1.00 0.00 C ATOM 927 C TYR A 62 -3.937 5.386 -1.198 1.00 0.00 C ATOM 928 O TYR A 62 -4.858 5.342 -0.382 1.00 0.00 O ATOM 929 CB TYR A 62 -4.756 6.693 -3.167 1.00 0.00 C ATOM 930 CG TYR A 62 -4.878 6.806 -4.670 1.00 0.00 C ATOM 931 CD1 TYR A 62 -3.781 6.590 -5.495 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.092 7.128 -5.266 1.00 0.00 C ATOM 933 CE1 TYR A 62 -3.888 6.694 -6.868 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.208 7.233 -6.638 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.104 7.015 -7.435 1.00 0.00 C ATOM 936 OH TYR A 62 -5.215 7.117 -8.803 1.00 0.00 O ATOM 0 H TYR A 62 -6.133 4.588 -3.099 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.283 5.129 -3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.735 6.861 -2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.099 7.483 -2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.828 6.336 -5.055 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.959 7.299 -4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.025 6.525 -7.494 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.159 7.485 -7.085 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.137 7.349 -9.040 1.00 0.00 H new ATOM 946 N ILE A 63 -2.659 5.474 -0.844 1.00 0.00 N ATOM 947 CA ILE A 63 -2.257 5.527 0.556 1.00 0.00 C ATOM 948 C ILE A 63 -1.148 6.552 0.771 1.00 0.00 C ATOM 949 O ILE A 63 -0.271 6.740 -0.072 1.00 0.00 O ATOM 950 CB ILE A 63 -1.775 4.153 1.056 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.594 3.665 0.213 1.00 0.00 C ATOM 952 CG2 ILE A 63 -2.913 3.145 1.015 1.00 0.00 C ATOM 953 CD1 ILE A 63 0.219 2.579 0.883 1.00 0.00 C ATOM 0 H ILE A 63 -1.885 5.510 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.138 5.823 1.126 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.443 4.255 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.968 3.292 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.057 4.510 -0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.556 2.179 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.727 3.489 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.273 3.044 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.039 2.282 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.623 2.955 1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.418 1.717 1.081 1.00 0.00 H new ATOM 965 N PRO A 64 -1.185 7.230 1.927 1.00 0.00 N ATOM 966 CA PRO A 64 -0.188 8.245 2.282 1.00 0.00 C ATOM 967 C PRO A 64 1.181 7.639 2.568 1.00 0.00 C ATOM 968 O PRO A 64 1.331 6.821 3.476 1.00 0.00 O ATOM 969 CB PRO A 64 -0.766 8.882 3.548 1.00 0.00 C ATOM 970 CG PRO A 64 -1.636 7.827 4.140 1.00 0.00 C ATOM 971 CD PRO A 64 -2.201 7.057 2.979 1.00 0.00 C ATOM 0 HA PRO A 64 -0.021 8.953 1.470 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.024 9.177 4.239 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.337 9.781 3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.064 7.174 4.800 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.432 8.269 4.740 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.347 6.006 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.170 7.449 2.670 1.00 0.00 H new ATOM 979 N SER A 65 2.178 8.044 1.787 1.00 0.00 N ATOM 980 CA SER A 65 3.535 7.538 1.955 1.00 0.00 C ATOM 981 C SER A 65 4.081 7.894 3.334 1.00 0.00 C ATOM 982 O SER A 65 4.893 7.163 3.900 1.00 0.00 O ATOM 983 CB SER A 65 4.451 8.105 0.869 1.00 0.00 C ATOM 984 OG SER A 65 4.520 9.518 0.947 1.00 0.00 O ATOM 0 H SER A 65 2.071 8.721 1.032 1.00 0.00 H new ATOM 0 HA SER A 65 3.505 6.452 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.450 7.683 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.082 7.809 -0.113 1.00 0.00 H new ATOM 0 HG SER A 65 5.235 9.843 0.362 1.00 0.00 H new ATOM 990 N ASN A 66 3.628 9.023 3.869 1.00 0.00 N ATOM 991 CA ASN A 66 4.071 9.478 5.182 1.00 0.00 C ATOM 992 C ASN A 66 3.641 8.499 6.271 1.00 0.00 C ATOM 993 O ASN A 66 4.123 8.561 7.402 1.00 0.00 O ATOM 994 CB ASN A 66 3.509 10.869 5.480 1.00 0.00 C ATOM 995 CG ASN A 66 4.387 11.977 4.932 1.00 0.00 C ATOM 996 OD1 ASN A 66 5.499 12.198 5.412 1.00 0.00 O ATOM 997 ND2 ASN A 66 3.890 12.681 3.921 1.00 0.00 N ATOM 0 H ASN A 66 2.955 9.639 3.414 1.00 0.00 H new ATOM 0 HA ASN A 66 5.160 9.528 5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.511 10.954 5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.404 10.992 6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.435 13.440 3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.963 12.463 3.555 1.00 0.00 H new ATOM 1004 N TYR A 67 2.731 7.597 5.921 1.00 0.00 N ATOM 1005 CA TYR A 67 2.234 6.606 6.868 1.00 0.00 C ATOM 1006 C TYR A 67 3.051 5.320 6.790 1.00 0.00 C ATOM 1007 O TYR A 67 3.123 4.557 7.754 1.00 0.00 O ATOM 1008 CB TYR A 67 0.759 6.304 6.595 1.00 0.00 C ATOM 1009 CG TYR A 67 -0.188 7.315 7.200 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -0.068 8.669 6.911 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -1.203 6.917 8.061 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -0.931 9.596 7.462 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -2.072 7.837 8.615 1.00 0.00 C ATOM 1014 CZ TYR A 67 -1.931 9.176 8.313 1.00 0.00 C ATOM 1015 OH TYR A 67 -2.793 10.096 8.864 1.00 0.00 O ATOM 0 H TYR A 67 2.323 7.532 4.989 1.00 0.00 H new ATOM 0 HA TYR A 67 2.334 7.018 7.872 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.598 6.267 5.518 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.521 5.315 6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.713 9.002 6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.315 5.870 8.301 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.823 10.645 7.227 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.857 7.510 9.281 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.439 9.635 9.439 1.00 0.00 H new ATOM 1025 N VAL A 68 3.666 5.087 5.636 1.00 0.00 N ATOM 1026 CA VAL A 68 4.480 3.895 5.431 1.00 0.00 C ATOM 1027 C VAL A 68 5.955 4.254 5.289 1.00 0.00 C ATOM 1028 O VAL A 68 6.314 5.429 5.212 1.00 0.00 O ATOM 1029 CB VAL A 68 4.031 3.116 4.180 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.695 2.432 4.428 1.00 0.00 C ATOM 1031 CG2 VAL A 68 3.949 4.043 2.977 1.00 0.00 C ATOM 0 H VAL A 68 3.616 5.708 4.828 1.00 0.00 H new ATOM 0 HA VAL A 68 4.345 3.265 6.310 1.00 0.00 H new ATOM 0 HB VAL A 68 4.772 2.346 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.394 1.887 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.792 1.736 5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.941 3.182 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.630 3.476 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.229 4.836 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.929 4.482 2.788 1.00 0.00 H new ATOM 1041 N ALA A 69 6.807 3.234 5.255 1.00 0.00 N ATOM 1042 CA ALA A 69 8.243 3.442 5.121 1.00 0.00 C ATOM 1043 C ALA A 69 8.835 2.516 4.063 1.00 0.00 C ATOM 1044 O ALA A 69 8.120 1.729 3.445 1.00 0.00 O ATOM 1045 CB ALA A 69 8.935 3.229 6.459 1.00 0.00 C ATOM 0 H ALA A 69 6.527 2.255 5.318 1.00 0.00 H new ATOM 0 HA ALA A 69 8.408 4.470 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.007 3.388 6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.540 3.935 7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.754 2.211 6.804 1.00 0.00 H new ATOM 1051 N GLU A 70 10.145 2.617 3.862 1.00 0.00 N ATOM 1052 CA GLU A 70 10.832 1.789 2.877 1.00 0.00 C ATOM 1053 C GLU A 70 11.609 0.666 3.559 1.00 0.00 C ATOM 1054 O GLU A 70 12.741 0.861 4.003 1.00 0.00 O ATOM 1055 CB GLU A 70 11.781 2.642 2.033 1.00 0.00 C ATOM 1056 CG GLU A 70 12.639 1.832 1.076 1.00 0.00 C ATOM 1057 CD GLU A 70 13.011 2.608 -0.173 1.00 0.00 C ATOM 1058 OE1 GLU A 70 12.154 3.362 -0.680 1.00 0.00 O ATOM 1059 OE2 GLU A 70 14.159 2.461 -0.642 1.00 0.00 O ATOM 0 H GLU A 70 10.751 3.263 4.367 1.00 0.00 H new ATOM 0 HA GLU A 70 10.080 1.344 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.197 3.364 1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.431 3.212 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.548 1.516 1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.103 0.927 0.791 1.00 0.00 H new ATOM 1066 N ASP A 71 10.994 -0.508 3.637 1.00 0.00 N ATOM 1067 CA ASP A 71 11.627 -1.663 4.264 1.00 0.00 C ATOM 1068 C ASP A 71 12.307 -2.543 3.219 1.00 0.00 C ATOM 1069 O ASP A 71 11.642 -3.201 2.419 1.00 0.00 O ATOM 1070 CB ASP A 71 10.593 -2.479 5.041 1.00 0.00 C ATOM 1071 CG ASP A 71 11.217 -3.288 6.161 1.00 0.00 C ATOM 1072 OD1 ASP A 71 12.338 -3.802 5.968 1.00 0.00 O ATOM 1073 OD2 ASP A 71 10.584 -3.408 7.231 1.00 0.00 O ATOM 0 H ASP A 71 10.058 -0.686 3.274 1.00 0.00 H new ATOM 0 HA ASP A 71 12.386 -1.299 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.842 -1.807 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.075 -3.151 4.356 1.00 0.00 H new ATOM 1078 N SER A 72 13.636 -2.548 3.233 1.00 0.00 N ATOM 1079 CA SER A 72 14.407 -3.343 2.284 1.00 0.00 C ATOM 1080 C SER A 72 13.864 -4.766 2.200 1.00 0.00 C ATOM 1081 O SER A 72 13.247 -5.263 3.141 1.00 0.00 O ATOM 1082 CB SER A 72 15.882 -3.371 2.689 1.00 0.00 C ATOM 1083 OG SER A 72 16.544 -2.185 2.284 1.00 0.00 O ATOM 0 H SER A 72 14.201 -2.011 3.891 1.00 0.00 H new ATOM 0 HA SER A 72 14.316 -2.879 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.964 -3.486 3.770 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.370 -4.236 2.239 1.00 0.00 H new ATOM 0 HG SER A 72 17.485 -2.226 2.556 1.00 0.00 H new ATOM 1089 N GLY A 73 14.099 -5.417 1.064 1.00 0.00 N ATOM 1090 CA GLY A 73 13.627 -6.776 0.877 1.00 0.00 C ATOM 1091 C GLY A 73 14.357 -7.495 -0.240 1.00 0.00 C ATOM 1092 O GLY A 73 14.764 -6.891 -1.233 1.00 0.00 O ATOM 0 H GLY A 73 14.608 -5.027 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.753 -7.332 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.559 -6.760 0.658 1.00 0.00 H new ATOM 1096 N PRO A 74 14.534 -8.815 -0.084 1.00 0.00 N ATOM 1097 CA PRO A 74 15.222 -9.645 -1.078 1.00 0.00 C ATOM 1098 C PRO A 74 14.412 -9.806 -2.359 1.00 0.00 C ATOM 1099 O PRO A 74 13.292 -10.316 -2.337 1.00 0.00 O ATOM 1100 CB PRO A 74 15.376 -10.993 -0.369 1.00 0.00 C ATOM 1101 CG PRO A 74 14.271 -11.023 0.631 1.00 0.00 C ATOM 1102 CD PRO A 74 14.076 -9.600 1.074 1.00 0.00 C ATOM 0 HA PRO A 74 16.167 -9.204 -1.394 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.296 -11.822 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 74 16.350 -11.078 0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.358 -11.424 0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 74 14.526 -11.663 1.475 1.00 0.00 H new ATOM 0 HD2 PRO A 74 13.033 -9.393 1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 74 14.658 -9.374 1.968 1.00 0.00 H new ATOM 1110 N SER A 75 14.986 -9.368 -3.476 1.00 0.00 N ATOM 1111 CA SER A 75 14.315 -9.461 -4.767 1.00 0.00 C ATOM 1112 C SER A 75 15.331 -9.502 -5.905 1.00 0.00 C ATOM 1113 O SER A 75 16.116 -8.571 -6.084 1.00 0.00 O ATOM 1114 CB SER A 75 13.365 -8.277 -4.958 1.00 0.00 C ATOM 1115 OG SER A 75 14.076 -7.051 -4.982 1.00 0.00 O ATOM 0 H SER A 75 15.914 -8.946 -3.512 1.00 0.00 H new ATOM 0 HA SER A 75 13.739 -10.386 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.811 -8.398 -5.889 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.633 -8.261 -4.151 1.00 0.00 H new ATOM 0 HG SER A 75 14.995 -7.212 -5.281 1.00 0.00 H new ATOM 1121 N SER A 76 15.308 -10.588 -6.671 1.00 0.00 N ATOM 1122 CA SER A 76 16.228 -10.754 -7.790 1.00 0.00 C ATOM 1123 C SER A 76 16.328 -9.469 -8.606 1.00 0.00 C ATOM 1124 O SER A 76 15.316 -8.886 -8.994 1.00 0.00 O ATOM 1125 CB SER A 76 15.773 -11.907 -8.686 1.00 0.00 C ATOM 1126 OG SER A 76 16.287 -13.144 -8.226 1.00 0.00 O ATOM 0 H SER A 76 14.662 -11.366 -6.537 1.00 0.00 H new ATOM 0 HA SER A 76 17.214 -10.985 -7.386 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.684 -11.947 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.105 -11.730 -9.709 1.00 0.00 H new ATOM 0 HG SER A 76 15.980 -13.865 -8.815 1.00 0.00 H new ATOM 1132 N GLY A 77 17.557 -9.032 -8.863 1.00 0.00 N ATOM 1133 CA GLY A 77 17.768 -7.819 -9.632 1.00 0.00 C ATOM 1134 C GLY A 77 18.814 -7.994 -10.715 1.00 0.00 C ATOM 1135 O GLY A 77 18.502 -8.431 -11.823 1.00 0.00 O ATOM 0 H GLY A 77 18.410 -9.496 -8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.826 -7.512 -10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.074 -7.016 -8.962 1.00 0.00 H new TER 1139 GLY A 77