USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 563 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 USER MOD Single : A 3 SER OG : rot 41:sc= 0.0423 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -58:sc= 0.0848 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0777 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-5.6!) USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= -1.12 (180deg=-3.66!) USER MOD Single : A 40 ASN : amide:sc= -2.76! C(o=-2.8!,f=-6.3!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0647) USER MOD Single : A 54 THR OG1 : rot 82:sc= 0.411 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0663 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.06! C(o=-3.1!,f=-2.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.9!) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.489 USER MOD Single : A 70 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.640 -3.754 17.550 1.00 0.00 N ATOM 2 CA GLY A 1 9.740 -4.891 17.595 1.00 0.00 C ATOM 3 C GLY A 1 8.483 -4.668 16.777 1.00 0.00 C ATOM 4 O GLY A 1 7.564 -3.975 17.213 1.00 0.00 O ATOM 0 H1 GLY A 1 11.483 -3.956 18.124 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.926 -3.576 16.566 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.157 -2.914 17.928 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.258 -5.776 17.225 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.465 -5.092 18.630 1.00 0.00 H new ATOM 8 N SER A 2 8.443 -5.255 15.585 1.00 0.00 N ATOM 9 CA SER A 2 7.292 -5.113 14.701 1.00 0.00 C ATOM 10 C SER A 2 5.990 -5.328 15.466 1.00 0.00 C ATOM 11 O SER A 2 5.790 -6.367 16.094 1.00 0.00 O ATOM 12 CB SER A 2 7.386 -6.108 13.542 1.00 0.00 C ATOM 13 OG SER A 2 8.594 -5.939 12.822 1.00 0.00 O ATOM 0 H SER A 2 9.194 -5.833 15.209 1.00 0.00 H new ATOM 0 HA SER A 2 7.295 -4.099 14.301 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.328 -7.126 13.927 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.537 -5.972 12.872 1.00 0.00 H new ATOM 0 HG SER A 2 8.631 -6.587 12.088 1.00 0.00 H new ATOM 19 N SER A 3 5.106 -4.336 15.408 1.00 0.00 N ATOM 20 CA SER A 3 3.824 -4.413 16.098 1.00 0.00 C ATOM 21 C SER A 3 2.680 -4.574 15.101 1.00 0.00 C ATOM 22 O SER A 3 2.893 -4.580 13.890 1.00 0.00 O ATOM 23 CB SER A 3 3.602 -3.161 16.948 1.00 0.00 C ATOM 24 OG SER A 3 4.582 -3.057 17.967 1.00 0.00 O ATOM 0 H SER A 3 5.255 -3.470 14.890 1.00 0.00 H new ATOM 0 HA SER A 3 3.842 -5.287 16.749 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.637 -2.276 16.313 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.609 -3.193 17.396 1.00 0.00 H new ATOM 0 HG SER A 3 5.458 -3.304 17.605 1.00 0.00 H new ATOM 30 N GLY A 4 1.463 -4.703 15.622 1.00 0.00 N ATOM 31 CA GLY A 4 0.303 -4.863 14.766 1.00 0.00 C ATOM 32 C GLY A 4 0.412 -6.074 13.861 1.00 0.00 C ATOM 33 O GLY A 4 1.116 -7.032 14.177 1.00 0.00 O ATOM 0 H GLY A 4 1.261 -4.699 16.622 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.590 -4.954 15.384 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.179 -3.968 14.156 1.00 0.00 H new ATOM 37 N SER A 5 -0.289 -6.032 12.732 1.00 0.00 N ATOM 38 CA SER A 5 -0.272 -7.137 11.780 1.00 0.00 C ATOM 39 C SER A 5 0.871 -6.977 10.782 1.00 0.00 C ATOM 40 O SER A 5 1.653 -7.901 10.563 1.00 0.00 O ATOM 41 CB SER A 5 -1.606 -7.218 11.037 1.00 0.00 C ATOM 42 OG SER A 5 -1.589 -8.252 10.069 1.00 0.00 O ATOM 0 H SER A 5 -0.876 -5.245 12.454 1.00 0.00 H new ATOM 0 HA SER A 5 -0.118 -8.061 12.337 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.412 -7.395 11.749 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.814 -6.265 10.551 1.00 0.00 H new ATOM 0 HG SER A 5 -2.454 -8.284 9.609 1.00 0.00 H new ATOM 48 N SER A 6 0.960 -5.795 10.179 1.00 0.00 N ATOM 49 CA SER A 6 2.004 -5.514 9.201 1.00 0.00 C ATOM 50 C SER A 6 1.824 -6.372 7.952 1.00 0.00 C ATOM 51 O SER A 6 2.786 -6.929 7.425 1.00 0.00 O ATOM 52 CB SER A 6 3.385 -5.763 9.811 1.00 0.00 C ATOM 53 OG SER A 6 4.402 -5.151 9.037 1.00 0.00 O ATOM 0 H SER A 6 0.322 -5.018 10.351 1.00 0.00 H new ATOM 0 HA SER A 6 1.926 -4.465 8.914 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.413 -5.372 10.828 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.569 -6.835 9.877 1.00 0.00 H new ATOM 0 HG SER A 6 4.372 -5.501 8.122 1.00 0.00 H new ATOM 59 N GLY A 7 0.584 -6.473 7.485 1.00 0.00 N ATOM 60 CA GLY A 7 0.299 -7.265 6.302 1.00 0.00 C ATOM 61 C GLY A 7 -0.754 -6.628 5.418 1.00 0.00 C ATOM 62 O GLY A 7 -0.566 -6.503 4.208 1.00 0.00 O ATOM 0 H GLY A 7 -0.229 -6.021 7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.217 -7.400 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.037 -8.257 6.605 1.00 0.00 H new ATOM 66 N ASP A 8 -1.867 -6.225 6.022 1.00 0.00 N ATOM 67 CA ASP A 8 -2.955 -5.598 5.281 1.00 0.00 C ATOM 68 C ASP A 8 -2.462 -4.365 4.530 1.00 0.00 C ATOM 69 O ASP A 8 -1.588 -3.642 5.009 1.00 0.00 O ATOM 70 CB ASP A 8 -4.091 -5.212 6.230 1.00 0.00 C ATOM 71 CG ASP A 8 -4.468 -6.339 7.171 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.940 -7.386 6.682 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.290 -6.174 8.397 1.00 0.00 O ATOM 0 H ASP A 8 -2.039 -6.321 7.023 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.329 -6.319 4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.793 -4.340 6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.965 -4.922 5.647 1.00 0.00 H new ATOM 78 N TYR A 9 -3.026 -4.132 3.350 1.00 0.00 N ATOM 79 CA TYR A 9 -2.641 -2.989 2.531 1.00 0.00 C ATOM 80 C TYR A 9 -2.538 -1.723 3.376 1.00 0.00 C ATOM 81 O TYR A 9 -1.497 -1.067 3.407 1.00 0.00 O ATOM 82 CB TYR A 9 -3.652 -2.781 1.402 1.00 0.00 C ATOM 83 CG TYR A 9 -3.813 -3.986 0.503 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.716 -4.758 0.140 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.061 -4.353 0.016 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.858 -5.859 -0.681 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.213 -5.453 -0.804 1.00 0.00 C ATOM 88 CZ TYR A 9 -4.108 -6.203 -1.150 1.00 0.00 C ATOM 89 OH TYR A 9 -4.255 -7.300 -1.969 1.00 0.00 O ATOM 0 H TYR A 9 -3.751 -4.720 2.939 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.662 -3.197 2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.620 -2.529 1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.340 -1.928 0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.735 -4.492 0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.928 -3.767 0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.995 -6.447 -0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.191 -5.725 -1.172 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.199 -7.404 -2.210 1.00 0.00 H new ATOM 99 N TYR A 10 -3.625 -1.388 4.062 1.00 0.00 N ATOM 100 CA TYR A 10 -3.659 -0.200 4.907 1.00 0.00 C ATOM 101 C TYR A 10 -2.424 -0.132 5.801 1.00 0.00 C ATOM 102 O TYR A 10 -1.855 0.939 6.010 1.00 0.00 O ATOM 103 CB TYR A 10 -4.925 -0.196 5.766 1.00 0.00 C ATOM 104 CG TYR A 10 -6.184 0.113 4.987 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.327 1.316 4.308 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.229 -0.801 4.929 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.476 1.602 3.596 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.381 -0.524 4.219 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.500 0.678 3.554 1.00 0.00 C ATOM 110 OH TYR A 10 -9.645 0.958 2.845 1.00 0.00 O ATOM 0 H TYR A 10 -4.494 -1.922 4.050 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.665 0.676 4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.033 -1.170 6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.811 0.539 6.563 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.526 2.040 4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.139 -1.744 5.448 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.572 2.543 3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.184 -1.245 4.185 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.266 0.204 2.916 1.00 0.00 H new ATOM 120 N GLU A 11 -2.017 -1.284 6.325 1.00 0.00 N ATOM 121 CA GLU A 11 -0.850 -1.355 7.196 1.00 0.00 C ATOM 122 C GLU A 11 0.433 -1.096 6.411 1.00 0.00 C ATOM 123 O GLU A 11 1.204 -0.194 6.741 1.00 0.00 O ATOM 124 CB GLU A 11 -0.777 -2.724 7.876 1.00 0.00 C ATOM 125 CG GLU A 11 -1.917 -2.984 8.846 1.00 0.00 C ATOM 126 CD GLU A 11 -2.024 -1.919 9.920 1.00 0.00 C ATOM 127 OE1 GLU A 11 -2.483 -0.802 9.604 1.00 0.00 O ATOM 128 OE2 GLU A 11 -1.648 -2.203 11.077 1.00 0.00 O ATOM 0 H GLU A 11 -2.477 -2.179 6.162 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.950 -0.583 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.778 -3.501 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.169 -2.804 8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.855 -3.033 8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.774 -3.956 9.317 1.00 0.00 H new ATOM 135 N ILE A 12 0.654 -1.893 5.371 1.00 0.00 N ATOM 136 CA ILE A 12 1.841 -1.750 4.538 1.00 0.00 C ATOM 137 C ILE A 12 2.171 -0.280 4.298 1.00 0.00 C ATOM 138 O ILE A 12 3.335 0.121 4.336 1.00 0.00 O ATOM 139 CB ILE A 12 1.665 -2.453 3.180 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.594 -3.969 3.371 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.804 -2.085 2.241 1.00 0.00 C ATOM 142 CD1 ILE A 12 1.254 -4.723 2.105 1.00 0.00 C ATOM 0 H ILE A 12 0.026 -2.644 5.085 1.00 0.00 H new ATOM 0 HA ILE A 12 2.663 -2.221 5.077 1.00 0.00 H new ATOM 0 HB ILE A 12 0.729 -2.118 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.552 -4.324 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.847 -4.197 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.665 -2.590 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.812 -1.006 2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.752 -2.395 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.221 -5.792 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.282 -4.396 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.014 -4.526 1.349 1.00 0.00 H new ATOM 154 N LEU A 13 1.138 0.519 4.053 1.00 0.00 N ATOM 155 CA LEU A 13 1.317 1.946 3.809 1.00 0.00 C ATOM 156 C LEU A 13 1.538 2.699 5.117 1.00 0.00 C ATOM 157 O LEU A 13 2.412 3.560 5.209 1.00 0.00 O ATOM 158 CB LEU A 13 0.098 2.515 3.080 1.00 0.00 C ATOM 159 CG LEU A 13 -0.203 1.914 1.707 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.559 2.385 1.204 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.892 2.275 0.714 1.00 0.00 C ATOM 0 H LEU A 13 0.169 0.203 4.018 1.00 0.00 H new ATOM 0 HA LEU A 13 2.200 2.075 3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.777 2.377 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.239 3.589 2.961 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.232 0.829 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.756 1.947 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.335 2.074 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.559 3.472 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.660 1.838 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.954 3.359 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.847 1.886 1.068 1.00 0.00 H new ATOM 173 N GLY A 14 0.741 2.367 6.128 1.00 0.00 N ATOM 174 CA GLY A 14 0.867 3.020 7.418 1.00 0.00 C ATOM 175 C GLY A 14 -0.292 3.952 7.711 1.00 0.00 C ATOM 176 O GLY A 14 -0.098 5.049 8.236 1.00 0.00 O ATOM 0 H GLY A 14 0.010 1.657 6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.928 2.264 8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.799 3.584 7.447 1.00 0.00 H new ATOM 180 N VAL A 15 -1.501 3.517 7.371 1.00 0.00 N ATOM 181 CA VAL A 15 -2.695 4.321 7.601 1.00 0.00 C ATOM 182 C VAL A 15 -3.803 3.490 8.239 1.00 0.00 C ATOM 183 O VAL A 15 -3.650 2.286 8.444 1.00 0.00 O ATOM 184 CB VAL A 15 -3.219 4.935 6.289 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.109 5.683 5.568 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.813 3.855 5.396 1.00 0.00 C ATOM 0 H VAL A 15 -1.679 2.612 6.935 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.410 5.124 8.281 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.007 5.649 6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.499 6.110 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.734 6.483 6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.297 4.994 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.178 4.306 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.047 3.116 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.639 3.368 5.914 1.00 0.00 H new ATOM 196 N SER A 16 -4.919 4.141 8.550 1.00 0.00 N ATOM 197 CA SER A 16 -6.053 3.463 9.167 1.00 0.00 C ATOM 198 C SER A 16 -6.915 2.776 8.113 1.00 0.00 C ATOM 199 O SER A 16 -6.773 3.031 6.917 1.00 0.00 O ATOM 200 CB SER A 16 -6.897 4.459 9.964 1.00 0.00 C ATOM 201 OG SER A 16 -6.397 4.614 11.281 1.00 0.00 O ATOM 0 H SER A 16 -5.062 5.137 8.385 1.00 0.00 H new ATOM 0 HA SER A 16 -5.665 2.702 9.845 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.901 5.424 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.931 4.115 10.002 1.00 0.00 H new ATOM 0 HG SER A 16 -6.953 5.257 11.768 1.00 0.00 H new ATOM 207 N ARG A 17 -7.810 1.904 8.566 1.00 0.00 N ATOM 208 CA ARG A 17 -8.696 1.179 7.663 1.00 0.00 C ATOM 209 C ARG A 17 -9.827 2.078 7.173 1.00 0.00 C ATOM 210 O ARG A 17 -10.823 2.274 7.869 1.00 0.00 O ATOM 211 CB ARG A 17 -9.274 -0.053 8.362 1.00 0.00 C ATOM 212 CG ARG A 17 -8.421 -1.301 8.202 1.00 0.00 C ATOM 213 CD ARG A 17 -9.228 -2.564 8.459 1.00 0.00 C ATOM 214 NE ARG A 17 -10.192 -2.823 7.394 1.00 0.00 N ATOM 215 CZ ARG A 17 -10.877 -3.956 7.282 1.00 0.00 C ATOM 216 NH1 ARG A 17 -10.703 -4.929 8.166 1.00 0.00 N ATOM 217 NH2 ARG A 17 -11.737 -4.118 6.284 1.00 0.00 N ATOM 0 H ARG A 17 -7.941 1.682 9.553 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.112 0.858 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.390 0.164 9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.270 -0.251 7.966 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.005 -1.332 7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.579 -1.259 8.893 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.552 -3.414 8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.754 -2.471 9.409 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.348 -2.094 6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.042 -4.808 8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.230 -5.798 8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.873 -3.372 5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.262 -4.988 6.199 1.00 0.00 H new ATOM 231 N GLY A 18 -9.666 2.622 5.971 1.00 0.00 N ATOM 232 CA GLY A 18 -10.681 3.494 5.409 1.00 0.00 C ATOM 233 C GLY A 18 -10.132 4.856 5.035 1.00 0.00 C ATOM 234 O GLY A 18 -10.890 5.806 4.841 1.00 0.00 O ATOM 0 H GLY A 18 -8.851 2.475 5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.111 3.024 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.490 3.617 6.130 1.00 0.00 H new ATOM 238 N ALA A 19 -8.811 4.953 4.934 1.00 0.00 N ATOM 239 CA ALA A 19 -8.161 6.209 4.580 1.00 0.00 C ATOM 240 C ALA A 19 -8.481 6.607 3.143 1.00 0.00 C ATOM 241 O ALA A 19 -8.359 5.799 2.223 1.00 0.00 O ATOM 242 CB ALA A 19 -6.657 6.099 4.777 1.00 0.00 C ATOM 0 H ALA A 19 -8.169 4.176 5.092 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.546 6.987 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.185 7.044 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.443 5.870 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.264 5.304 4.143 1.00 0.00 H new ATOM 248 N SER A 20 -8.893 7.857 2.958 1.00 0.00 N ATOM 249 CA SER A 20 -9.235 8.361 1.633 1.00 0.00 C ATOM 250 C SER A 20 -8.025 8.316 0.705 1.00 0.00 C ATOM 251 O SER A 20 -6.880 8.360 1.157 1.00 0.00 O ATOM 252 CB SER A 20 -9.765 9.793 1.730 1.00 0.00 C ATOM 253 OG SER A 20 -8.738 10.692 2.110 1.00 0.00 O ATOM 0 H SER A 20 -8.998 8.539 3.709 1.00 0.00 H new ATOM 0 HA SER A 20 -10.013 7.721 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.181 10.096 0.769 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.577 9.835 2.456 1.00 0.00 H new ATOM 0 HG SER A 20 -9.102 11.600 2.163 1.00 0.00 H new ATOM 259 N ASP A 21 -8.286 8.227 -0.594 1.00 0.00 N ATOM 260 CA ASP A 21 -7.219 8.177 -1.587 1.00 0.00 C ATOM 261 C ASP A 21 -6.127 9.191 -1.262 1.00 0.00 C ATOM 262 O ASP A 21 -4.940 8.913 -1.430 1.00 0.00 O ATOM 263 CB ASP A 21 -7.781 8.443 -2.984 1.00 0.00 C ATOM 264 CG ASP A 21 -8.518 7.245 -3.550 1.00 0.00 C ATOM 265 OD1 ASP A 21 -7.955 6.132 -3.515 1.00 0.00 O ATOM 266 OD2 ASP A 21 -9.658 7.422 -4.030 1.00 0.00 O ATOM 0 H ASP A 21 -9.227 8.188 -0.985 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.781 7.179 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.458 9.296 -2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.966 8.714 -3.655 1.00 0.00 H new ATOM 271 N GLU A 22 -6.537 10.367 -0.799 1.00 0.00 N ATOM 272 CA GLU A 22 -5.592 11.423 -0.453 1.00 0.00 C ATOM 273 C GLU A 22 -4.574 10.928 0.570 1.00 0.00 C ATOM 274 O GLU A 22 -3.366 11.056 0.372 1.00 0.00 O ATOM 275 CB GLU A 22 -6.335 12.642 0.098 1.00 0.00 C ATOM 276 CG GLU A 22 -5.629 13.959 -0.176 1.00 0.00 C ATOM 277 CD GLU A 22 -6.401 15.155 0.349 1.00 0.00 C ATOM 278 OE1 GLU A 22 -7.015 15.037 1.430 1.00 0.00 O ATOM 279 OE2 GLU A 22 -6.390 16.208 -0.322 1.00 0.00 O ATOM 0 H GLU A 22 -7.516 10.613 -0.655 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.059 11.711 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.333 12.677 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.462 12.524 1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.640 13.939 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.480 14.070 -1.250 1.00 0.00 H new ATOM 286 N ASP A 23 -5.071 10.364 1.665 1.00 0.00 N ATOM 287 CA ASP A 23 -4.206 9.849 2.720 1.00 0.00 C ATOM 288 C ASP A 23 -3.300 8.743 2.189 1.00 0.00 C ATOM 289 O ASP A 23 -2.075 8.823 2.299 1.00 0.00 O ATOM 290 CB ASP A 23 -5.045 9.321 3.885 1.00 0.00 C ATOM 291 CG ASP A 23 -4.332 9.449 5.217 1.00 0.00 C ATOM 292 OD1 ASP A 23 -3.659 10.479 5.433 1.00 0.00 O ATOM 293 OD2 ASP A 23 -4.446 8.520 6.043 1.00 0.00 O ATOM 0 H ASP A 23 -6.069 10.252 1.845 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.580 10.668 3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.988 9.867 3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.291 8.274 3.707 1.00 0.00 H new ATOM 298 N LEU A 24 -3.908 7.712 1.613 1.00 0.00 N ATOM 299 CA LEU A 24 -3.156 6.589 1.065 1.00 0.00 C ATOM 300 C LEU A 24 -2.038 7.077 0.150 1.00 0.00 C ATOM 301 O LEU A 24 -0.970 6.468 0.077 1.00 0.00 O ATOM 302 CB LEU A 24 -4.089 5.652 0.294 1.00 0.00 C ATOM 303 CG LEU A 24 -5.313 5.147 1.058 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.458 4.858 0.100 1.00 0.00 C ATOM 305 CD2 LEU A 24 -4.963 3.904 1.863 1.00 0.00 C ATOM 0 H LEU A 24 -4.920 7.630 1.513 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.709 6.044 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.433 6.170 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.512 4.789 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.633 5.926 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.321 4.500 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.726 5.770 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.150 4.097 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.846 3.558 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.618 3.120 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.174 4.143 2.576 1.00 0.00 H new ATOM 317 N LYS A 25 -2.289 8.180 -0.546 1.00 0.00 N ATOM 318 CA LYS A 25 -1.303 8.754 -1.454 1.00 0.00 C ATOM 319 C LYS A 25 -0.101 9.292 -0.683 1.00 0.00 C ATOM 320 O LYS A 25 0.984 8.713 -0.721 1.00 0.00 O ATOM 321 CB LYS A 25 -1.934 9.874 -2.283 1.00 0.00 C ATOM 322 CG LYS A 25 -1.024 10.409 -3.376 1.00 0.00 C ATOM 323 CD LYS A 25 -1.655 11.585 -4.102 1.00 0.00 C ATOM 324 CE LYS A 25 -0.686 12.217 -5.089 1.00 0.00 C ATOM 325 NZ LYS A 25 -0.958 13.668 -5.284 1.00 0.00 N ATOM 0 H LYS A 25 -3.168 8.695 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.959 7.965 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.854 9.505 -2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.212 10.693 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.073 10.717 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.805 9.615 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.548 11.251 -4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.975 12.332 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.335 12.084 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.757 11.703 -6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.276 14.061 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.923 13.794 -5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.865 14.164 -4.375 1.00 0.00 H new ATOM 339 N LYS A 26 -0.303 10.403 0.017 1.00 0.00 N ATOM 340 CA LYS A 26 0.762 11.019 0.799 1.00 0.00 C ATOM 341 C LYS A 26 1.578 9.961 1.535 1.00 0.00 C ATOM 342 O LYS A 26 2.799 9.899 1.396 1.00 0.00 O ATOM 343 CB LYS A 26 0.175 12.015 1.803 1.00 0.00 C ATOM 344 CG LYS A 26 -0.390 13.268 1.157 1.00 0.00 C ATOM 345 CD LYS A 26 -1.102 14.146 2.172 1.00 0.00 C ATOM 346 CE LYS A 26 -2.171 15.004 1.513 1.00 0.00 C ATOM 347 NZ LYS A 26 -1.627 16.314 1.058 1.00 0.00 N ATOM 0 H LYS A 26 -1.195 10.895 0.059 1.00 0.00 H new ATOM 0 HA LYS A 26 1.422 11.550 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.614 11.522 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.950 12.301 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.416 13.832 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.085 12.989 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.558 13.521 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.377 14.787 2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.592 14.470 0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.986 15.174 2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.386 16.870 0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.248 16.835 1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.867 16.153 0.367 1.00 0.00 H new ATOM 361 N ALA A 27 0.895 9.131 2.316 1.00 0.00 N ATOM 362 CA ALA A 27 1.557 8.073 3.070 1.00 0.00 C ATOM 363 C ALA A 27 2.349 7.154 2.146 1.00 0.00 C ATOM 364 O ALA A 27 3.530 6.892 2.379 1.00 0.00 O ATOM 365 CB ALA A 27 0.535 7.273 3.864 1.00 0.00 C ATOM 0 H ALA A 27 -0.116 9.170 2.443 1.00 0.00 H new ATOM 0 HA ALA A 27 2.257 8.538 3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.043 6.486 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.016 7.934 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.187 6.825 3.181 1.00 0.00 H new ATOM 371 N TYR A 28 1.693 6.667 1.099 1.00 0.00 N ATOM 372 CA TYR A 28 2.336 5.774 0.143 1.00 0.00 C ATOM 373 C TYR A 28 3.667 6.350 -0.331 1.00 0.00 C ATOM 374 O TYR A 28 4.702 5.687 -0.262 1.00 0.00 O ATOM 375 CB TYR A 28 1.418 5.530 -1.056 1.00 0.00 C ATOM 376 CG TYR A 28 2.099 4.825 -2.207 1.00 0.00 C ATOM 377 CD1 TYR A 28 3.030 3.820 -1.979 1.00 0.00 C ATOM 378 CD2 TYR A 28 1.810 5.164 -3.523 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.655 3.173 -3.028 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.429 4.522 -4.579 1.00 0.00 C ATOM 381 CZ TYR A 28 3.351 3.528 -4.326 1.00 0.00 C ATOM 382 OH TYR A 28 3.971 2.886 -5.373 1.00 0.00 O ATOM 0 H TYR A 28 0.717 6.876 0.891 1.00 0.00 H new ATOM 0 HA TYR A 28 2.529 4.825 0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.562 4.937 -0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.029 6.486 -1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.270 3.539 -0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.089 5.943 -3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.377 2.394 -2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.192 4.797 -5.596 1.00 0.00 H new ATOM 0 HH TYR A 28 3.645 3.253 -6.221 1.00 0.00 H new ATOM 392 N ARG A 29 3.631 7.588 -0.811 1.00 0.00 N ATOM 393 CA ARG A 29 4.833 8.255 -1.297 1.00 0.00 C ATOM 394 C ARG A 29 5.897 8.322 -0.205 1.00 0.00 C ATOM 395 O ARG A 29 7.012 7.832 -0.380 1.00 0.00 O ATOM 396 CB ARG A 29 4.498 9.665 -1.785 1.00 0.00 C ATOM 397 CG ARG A 29 3.567 9.689 -2.986 1.00 0.00 C ATOM 398 CD ARG A 29 3.678 10.999 -3.750 1.00 0.00 C ATOM 399 NE ARG A 29 2.918 10.972 -4.997 1.00 0.00 N ATOM 400 CZ ARG A 29 2.993 11.920 -5.925 1.00 0.00 C ATOM 401 NH1 ARG A 29 3.790 12.964 -5.747 1.00 0.00 N ATOM 402 NH2 ARG A 29 2.269 11.824 -7.033 1.00 0.00 N ATOM 0 H ARG A 29 2.782 8.150 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 29 5.228 7.674 -2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.039 10.223 -0.969 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.423 10.180 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.806 8.858 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.539 9.546 -2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.318 11.815 -3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.726 11.203 -3.969 1.00 0.00 H new ATOM 0 HE ARG A 29 2.295 10.182 -5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.347 13.041 -4.896 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.846 13.690 -6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.654 11.022 -7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.327 12.552 -7.745 1.00 0.00 H new ATOM 416 N ARG A 30 5.543 8.931 0.922 1.00 0.00 N ATOM 417 CA ARG A 30 6.467 9.064 2.042 1.00 0.00 C ATOM 418 C ARG A 30 7.331 7.815 2.184 1.00 0.00 C ATOM 419 O ARG A 30 8.466 7.883 2.658 1.00 0.00 O ATOM 420 CB ARG A 30 5.697 9.315 3.339 1.00 0.00 C ATOM 421 CG ARG A 30 6.546 9.163 4.591 1.00 0.00 C ATOM 422 CD ARG A 30 5.795 9.619 5.832 1.00 0.00 C ATOM 423 NE ARG A 30 6.580 9.424 7.049 1.00 0.00 N ATOM 424 CZ ARG A 30 7.612 10.189 7.387 1.00 0.00 C ATOM 425 NH1 ARG A 30 7.982 11.193 6.605 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.277 9.949 8.510 1.00 0.00 N ATOM 0 H ARG A 30 4.623 9.340 1.084 1.00 0.00 H new ATOM 0 HA ARG A 30 7.118 9.915 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.278 10.321 3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.858 8.622 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.843 8.121 4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.461 9.745 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.536 10.673 5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.858 9.067 5.912 1.00 0.00 H new ATOM 0 HE ARG A 30 6.322 8.659 7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.474 11.380 5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.775 11.778 6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.996 9.177 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.069 10.537 8.769 1.00 0.00 H new ATOM 440 N LEU A 31 6.787 6.675 1.772 1.00 0.00 N ATOM 441 CA LEU A 31 7.508 5.410 1.853 1.00 0.00 C ATOM 442 C LEU A 31 8.368 5.191 0.613 1.00 0.00 C ATOM 443 O LEU A 31 9.579 5.001 0.710 1.00 0.00 O ATOM 444 CB LEU A 31 6.524 4.250 2.017 1.00 0.00 C ATOM 445 CG LEU A 31 5.650 4.282 3.271 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.881 2.979 3.420 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.499 4.547 4.506 1.00 0.00 C ATOM 0 H LEU A 31 5.849 6.601 1.378 1.00 0.00 H new ATOM 0 HA LEU A 31 8.163 5.449 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.871 4.228 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.089 3.318 2.016 1.00 0.00 H new ATOM 0 HG LEU A 31 4.930 5.094 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.265 3.021 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.243 2.831 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.583 2.149 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.860 4.566 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.242 3.757 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.003 5.508 4.402 1.00 0.00 H new ATOM 459 N ALA A 32 7.732 5.222 -0.554 1.00 0.00 N ATOM 460 CA ALA A 32 8.439 5.032 -1.815 1.00 0.00 C ATOM 461 C ALA A 32 9.813 5.693 -1.779 1.00 0.00 C ATOM 462 O ALA A 32 10.814 5.090 -2.169 1.00 0.00 O ATOM 463 CB ALA A 32 7.616 5.583 -2.970 1.00 0.00 C ATOM 0 H ALA A 32 6.729 5.377 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 32 8.583 3.962 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.156 5.434 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.660 5.062 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.442 6.648 -2.817 1.00 0.00 H new ATOM 469 N LEU A 33 9.854 6.935 -1.309 1.00 0.00 N ATOM 470 CA LEU A 33 11.106 7.679 -1.223 1.00 0.00 C ATOM 471 C LEU A 33 12.075 7.004 -0.258 1.00 0.00 C ATOM 472 O LEU A 33 13.273 6.907 -0.529 1.00 0.00 O ATOM 473 CB LEU A 33 10.838 9.116 -0.772 1.00 0.00 C ATOM 474 CG LEU A 33 10.154 10.024 -1.795 1.00 0.00 C ATOM 475 CD1 LEU A 33 8.644 9.972 -1.628 1.00 0.00 C ATOM 476 CD2 LEU A 33 10.659 11.453 -1.660 1.00 0.00 C ATOM 0 H LEU A 33 9.035 7.448 -0.982 1.00 0.00 H new ATOM 0 HA LEU A 33 11.560 7.694 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.221 9.085 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.788 9.570 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 33 10.401 9.665 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.174 10.624 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.297 8.949 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.377 10.305 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.162 12.086 -2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.442 11.822 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.735 11.476 -1.830 1.00 0.00 H new ATOM 488 N LYS A 34 11.550 6.535 0.869 1.00 0.00 N ATOM 489 CA LYS A 34 12.367 5.864 1.874 1.00 0.00 C ATOM 490 C LYS A 34 12.697 4.439 1.443 1.00 0.00 C ATOM 491 O LYS A 34 13.542 3.778 2.047 1.00 0.00 O ATOM 492 CB LYS A 34 11.642 5.847 3.221 1.00 0.00 C ATOM 493 CG LYS A 34 12.504 5.353 4.370 1.00 0.00 C ATOM 494 CD LYS A 34 11.701 5.219 5.653 1.00 0.00 C ATOM 495 CE LYS A 34 12.257 4.120 6.546 1.00 0.00 C ATOM 496 NZ LYS A 34 11.303 3.749 7.627 1.00 0.00 N ATOM 0 H LYS A 34 10.561 6.607 1.110 1.00 0.00 H new ATOM 0 HA LYS A 34 13.300 6.418 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.291 6.854 3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.759 5.212 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.940 4.388 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.332 6.044 4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.712 6.167 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.661 5.002 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.482 3.241 5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.196 4.452 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.718 2.997 8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.108 4.582 8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.416 3.408 7.205 1.00 0.00 H new ATOM 510 N PHE A 35 12.027 3.971 0.396 1.00 0.00 N ATOM 511 CA PHE A 35 12.250 2.624 -0.116 1.00 0.00 C ATOM 512 C PHE A 35 12.591 2.656 -1.603 1.00 0.00 C ATOM 513 O PHE A 35 12.509 1.639 -2.292 1.00 0.00 O ATOM 514 CB PHE A 35 11.012 1.756 0.117 1.00 0.00 C ATOM 515 CG PHE A 35 10.701 1.531 1.569 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.392 0.578 2.299 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.718 2.273 2.203 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.109 0.369 3.636 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.430 2.068 3.540 1.00 0.00 C ATOM 520 CZ PHE A 35 10.126 1.115 4.257 1.00 0.00 C ATOM 0 H PHE A 35 11.324 4.505 -0.115 1.00 0.00 H new ATOM 0 HA PHE A 35 13.094 2.193 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.153 2.227 -0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.158 0.791 -0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.161 -0.009 1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.171 3.020 1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.656 -0.377 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.661 2.653 4.023 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.902 0.953 5.301 1.00 0.00 H new ATOM 530 N HIS A 36 12.973 3.832 -2.091 1.00 0.00 N ATOM 531 CA HIS A 36 13.327 3.998 -3.496 1.00 0.00 C ATOM 532 C HIS A 36 14.729 3.464 -3.770 1.00 0.00 C ATOM 533 O HIS A 36 15.650 3.630 -2.970 1.00 0.00 O ATOM 534 CB HIS A 36 13.242 5.472 -3.895 1.00 0.00 C ATOM 535 CG HIS A 36 12.875 5.684 -5.331 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.762 6.160 -6.273 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.708 5.480 -5.986 1.00 0.00 C ATOM 538 CE1 HIS A 36 13.157 6.241 -7.444 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.909 5.834 -7.297 1.00 0.00 N ATOM 0 H HIS A 36 13.045 4.684 -1.534 1.00 0.00 H new ATOM 0 HA HIS A 36 12.617 3.427 -4.094 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.506 5.969 -3.263 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.203 5.949 -3.700 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.789 5.108 -5.557 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.606 6.582 -8.365 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.209 5.790 -8.037 1.00 0.00 H new ATOM 547 N PRO A 37 14.898 2.807 -4.928 1.00 0.00 N ATOM 548 CA PRO A 37 16.185 2.235 -5.333 1.00 0.00 C ATOM 549 C PRO A 37 17.212 3.308 -5.680 1.00 0.00 C ATOM 550 O PRO A 37 18.398 3.017 -5.839 1.00 0.00 O ATOM 551 CB PRO A 37 15.832 1.412 -6.575 1.00 0.00 C ATOM 552 CG PRO A 37 14.604 2.056 -7.120 1.00 0.00 C ATOM 553 CD PRO A 37 13.844 2.572 -5.929 1.00 0.00 C ATOM 0 HA PRO A 37 16.642 1.652 -4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.643 1.427 -7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.651 0.368 -6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.859 2.867 -7.802 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.006 1.341 -7.685 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.302 3.488 -6.164 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.109 1.848 -5.577 1.00 0.00 H new ATOM 561 N ASP A 38 16.750 4.548 -5.795 1.00 0.00 N ATOM 562 CA ASP A 38 17.629 5.665 -6.122 1.00 0.00 C ATOM 563 C ASP A 38 17.850 6.556 -4.904 1.00 0.00 C ATOM 564 O ASP A 38 18.975 6.701 -4.423 1.00 0.00 O ATOM 565 CB ASP A 38 17.040 6.486 -7.270 1.00 0.00 C ATOM 566 CG ASP A 38 17.511 7.927 -7.251 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.619 8.197 -7.761 1.00 0.00 O ATOM 568 OD2 ASP A 38 16.771 8.786 -6.728 1.00 0.00 O ATOM 0 H ASP A 38 15.771 4.805 -5.667 1.00 0.00 H new ATOM 0 HA ASP A 38 18.592 5.259 -6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.317 6.029 -8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.952 6.461 -7.210 1.00 0.00 H new ATOM 573 N LYS A 39 16.771 7.152 -4.408 1.00 0.00 N ATOM 574 CA LYS A 39 16.846 8.029 -3.246 1.00 0.00 C ATOM 575 C LYS A 39 17.515 7.321 -2.072 1.00 0.00 C ATOM 576 O LYS A 39 18.097 7.962 -1.199 1.00 0.00 O ATOM 577 CB LYS A 39 15.445 8.496 -2.843 1.00 0.00 C ATOM 578 CG LYS A 39 14.874 9.566 -3.756 1.00 0.00 C ATOM 579 CD LYS A 39 13.370 9.698 -3.589 1.00 0.00 C ATOM 580 CE LYS A 39 12.784 10.691 -4.581 1.00 0.00 C ATOM 581 NZ LYS A 39 11.344 10.420 -4.852 1.00 0.00 N ATOM 0 H LYS A 39 15.833 7.043 -4.793 1.00 0.00 H new ATOM 0 HA LYS A 39 17.448 8.897 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.773 7.638 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.479 8.880 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.350 10.522 -3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.106 9.322 -4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.901 8.724 -3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.143 10.020 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.896 11.703 -4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.344 10.645 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.149 10.559 -5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.120 9.439 -4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.757 11.072 -4.293 1.00 0.00 H new ATOM 595 N ASN A 40 17.428 5.995 -2.060 1.00 0.00 N ATOM 596 CA ASN A 40 18.027 5.200 -0.993 1.00 0.00 C ATOM 597 C ASN A 40 19.341 4.575 -1.452 1.00 0.00 C ATOM 598 O ASN A 40 19.700 4.651 -2.628 1.00 0.00 O ATOM 599 CB ASN A 40 17.059 4.105 -0.541 1.00 0.00 C ATOM 600 CG ASN A 40 17.236 3.745 0.922 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.214 4.140 1.556 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.288 2.990 1.464 1.00 0.00 N ATOM 0 H ASN A 40 16.949 5.448 -2.776 1.00 0.00 H new ATOM 0 HA ASN A 40 18.235 5.862 -0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.035 4.437 -0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.210 3.215 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.353 2.715 2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.494 2.685 0.900 1.00 0.00 H new ATOM 609 N HIS A 41 20.054 3.956 -0.517 1.00 0.00 N ATOM 610 CA HIS A 41 21.328 3.316 -0.825 1.00 0.00 C ATOM 611 C HIS A 41 21.229 1.802 -0.663 1.00 0.00 C ATOM 612 O HIS A 41 21.677 1.045 -1.523 1.00 0.00 O ATOM 613 CB HIS A 41 22.431 3.867 0.079 1.00 0.00 C ATOM 614 CG HIS A 41 22.621 5.347 -0.042 1.00 0.00 C ATOM 615 ND1 HIS A 41 23.495 5.923 -0.940 1.00 0.00 N ATOM 616 CD2 HIS A 41 22.043 6.372 0.627 1.00 0.00 C ATOM 617 CE1 HIS A 41 23.447 7.238 -0.816 1.00 0.00 C ATOM 618 NE2 HIS A 41 22.573 7.536 0.128 1.00 0.00 N ATOM 0 H HIS A 41 19.771 3.884 0.460 1.00 0.00 H new ATOM 0 HA HIS A 41 21.576 3.537 -1.863 1.00 0.00 H new ATOM 0 HB2 HIS A 41 22.196 3.623 1.115 1.00 0.00 H new ATOM 0 HB3 HIS A 41 23.370 3.368 -0.161 1.00 0.00 H new ATOM 0 HD2 HIS A 41 21.302 6.289 1.409 1.00 0.00 H new ATOM 0 HE1 HIS A 41 24.024 7.948 -1.389 1.00 0.00 H new ATOM 0 HE2 HIS A 41 22.331 8.478 0.436 1.00 0.00 H new ATOM 626 N ALA A 42 20.640 1.368 0.447 1.00 0.00 N ATOM 627 CA ALA A 42 20.481 -0.054 0.721 1.00 0.00 C ATOM 628 C ALA A 42 19.390 -0.663 -0.152 1.00 0.00 C ATOM 629 O ALA A 42 18.346 -0.058 -0.396 1.00 0.00 O ATOM 630 CB ALA A 42 20.167 -0.276 2.193 1.00 0.00 C ATOM 0 H ALA A 42 20.265 1.981 1.171 1.00 0.00 H new ATOM 0 HA ALA A 42 21.421 -0.552 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.051 -1.343 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 42 20.982 0.115 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 42 19.243 0.241 2.450 1.00 0.00 H new ATOM 636 N PRO A 43 19.633 -1.890 -0.636 1.00 0.00 N ATOM 637 CA PRO A 43 18.682 -2.608 -1.490 1.00 0.00 C ATOM 638 C PRO A 43 17.437 -3.049 -0.728 1.00 0.00 C ATOM 639 O PRO A 43 16.313 -2.808 -1.164 1.00 0.00 O ATOM 640 CB PRO A 43 19.480 -3.826 -1.963 1.00 0.00 C ATOM 641 CG PRO A 43 20.508 -4.039 -0.906 1.00 0.00 C ATOM 642 CD PRO A 43 20.856 -2.672 -0.386 1.00 0.00 C ATOM 0 HA PRO A 43 18.311 -1.983 -2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 43 18.839 -4.701 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 43 19.942 -3.644 -2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.122 -4.673 -0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 43 21.388 -4.538 -1.312 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.107 -2.697 0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 43 21.716 -2.251 -0.907 1.00 0.00 H new ATOM 650 N GLY A 44 17.646 -3.697 0.414 1.00 0.00 N ATOM 651 CA GLY A 44 16.531 -4.161 1.219 1.00 0.00 C ATOM 652 C GLY A 44 15.339 -3.227 1.151 1.00 0.00 C ATOM 653 O GLY A 44 14.197 -3.674 1.048 1.00 0.00 O ATOM 0 H GLY A 44 18.568 -3.909 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.231 -5.153 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.852 -4.261 2.256 1.00 0.00 H new ATOM 657 N ALA A 45 15.604 -1.926 1.209 1.00 0.00 N ATOM 658 CA ALA A 45 14.544 -0.928 1.153 1.00 0.00 C ATOM 659 C ALA A 45 13.703 -1.090 -0.108 1.00 0.00 C ATOM 660 O ALA A 45 12.474 -1.142 -0.046 1.00 0.00 O ATOM 661 CB ALA A 45 15.135 0.473 1.219 1.00 0.00 C ATOM 0 H ALA A 45 16.544 -1.539 1.295 1.00 0.00 H new ATOM 0 HA ALA A 45 13.892 -1.077 2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.332 1.209 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.687 0.592 2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.810 0.623 0.377 1.00 0.00 H new ATOM 667 N THR A 46 14.373 -1.168 -1.255 1.00 0.00 N ATOM 668 CA THR A 46 13.687 -1.322 -2.531 1.00 0.00 C ATOM 669 C THR A 46 12.807 -2.567 -2.536 1.00 0.00 C ATOM 670 O THR A 46 11.656 -2.523 -2.968 1.00 0.00 O ATOM 671 CB THR A 46 14.687 -1.409 -3.699 1.00 0.00 C ATOM 672 OG1 THR A 46 15.868 -0.662 -3.389 1.00 0.00 O ATOM 673 CG2 THR A 46 14.067 -0.878 -4.983 1.00 0.00 C ATOM 0 H THR A 46 15.390 -1.127 -1.325 1.00 0.00 H new ATOM 0 HA THR A 46 13.062 -0.439 -2.662 1.00 0.00 H new ATOM 0 HB THR A 46 14.949 -2.457 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.500 -0.724 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.792 -0.950 -5.794 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.185 -1.468 -5.232 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.780 0.164 -4.844 1.00 0.00 H new ATOM 681 N GLU A 47 13.357 -3.677 -2.052 1.00 0.00 N ATOM 682 CA GLU A 47 12.621 -4.934 -2.001 1.00 0.00 C ATOM 683 C GLU A 47 11.228 -4.726 -1.413 1.00 0.00 C ATOM 684 O GLU A 47 10.329 -5.541 -1.616 1.00 0.00 O ATOM 685 CB GLU A 47 13.387 -5.967 -1.171 1.00 0.00 C ATOM 686 CG GLU A 47 14.577 -6.570 -1.899 1.00 0.00 C ATOM 687 CD GLU A 47 15.091 -7.830 -1.231 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.313 -8.469 -0.492 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.271 -8.178 -1.446 1.00 0.00 O ATOM 0 H GLU A 47 14.309 -3.730 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 47 12.515 -5.304 -3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.735 -5.496 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.705 -6.767 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.293 -6.798 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.380 -5.835 -1.946 1.00 0.00 H new ATOM 696 N ALA A 48 11.058 -3.628 -0.684 1.00 0.00 N ATOM 697 CA ALA A 48 9.776 -3.311 -0.067 1.00 0.00 C ATOM 698 C ALA A 48 8.909 -2.475 -1.003 1.00 0.00 C ATOM 699 O ALA A 48 7.710 -2.719 -1.138 1.00 0.00 O ATOM 700 CB ALA A 48 9.990 -2.582 1.250 1.00 0.00 C ATOM 0 H ALA A 48 11.792 -2.943 -0.506 1.00 0.00 H new ATOM 0 HA ALA A 48 9.254 -4.247 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.024 -2.352 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.564 -3.215 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.536 -1.656 1.069 1.00 0.00 H new ATOM 706 N PHE A 49 9.523 -1.488 -1.646 1.00 0.00 N ATOM 707 CA PHE A 49 8.807 -0.614 -2.568 1.00 0.00 C ATOM 708 C PHE A 49 7.887 -1.421 -3.479 1.00 0.00 C ATOM 709 O PHE A 49 6.731 -1.057 -3.694 1.00 0.00 O ATOM 710 CB PHE A 49 9.796 0.195 -3.410 1.00 0.00 C ATOM 711 CG PHE A 49 9.136 1.042 -4.460 1.00 0.00 C ATOM 712 CD1 PHE A 49 7.999 1.776 -4.164 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.652 1.102 -5.745 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.390 2.557 -5.129 1.00 0.00 C ATOM 715 CE2 PHE A 49 9.048 1.881 -6.713 1.00 0.00 C ATOM 716 CZ PHE A 49 7.914 2.608 -6.405 1.00 0.00 C ATOM 0 H PHE A 49 10.515 -1.273 -1.546 1.00 0.00 H new ATOM 0 HA PHE A 49 8.197 0.071 -1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.381 0.837 -2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.495 -0.489 -3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.583 1.738 -3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.536 0.533 -5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.505 3.126 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.462 1.922 -7.710 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.439 3.215 -7.161 1.00 0.00 H new ATOM 726 N LYS A 50 8.410 -2.520 -4.013 1.00 0.00 N ATOM 727 CA LYS A 50 7.638 -3.382 -4.901 1.00 0.00 C ATOM 728 C LYS A 50 6.344 -3.833 -4.232 1.00 0.00 C ATOM 729 O LYS A 50 5.318 -3.997 -4.891 1.00 0.00 O ATOM 730 CB LYS A 50 8.467 -4.602 -5.309 1.00 0.00 C ATOM 731 CG LYS A 50 9.332 -4.368 -6.535 1.00 0.00 C ATOM 732 CD LYS A 50 8.489 -4.062 -7.762 1.00 0.00 C ATOM 733 CE LYS A 50 9.291 -4.227 -9.044 1.00 0.00 C ATOM 734 NZ LYS A 50 9.514 -5.661 -9.377 1.00 0.00 N ATOM 0 H LYS A 50 9.366 -2.835 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 50 7.384 -2.809 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.105 -4.892 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.796 -5.439 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.016 -3.540 -6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.944 -5.250 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.624 -4.725 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.108 -3.043 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.766 -3.741 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.253 -3.725 -8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.896 -5.738 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.190 -6.073 -8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.612 -6.175 -9.320 1.00 0.00 H new ATOM 748 N ALA A 51 6.400 -4.031 -2.919 1.00 0.00 N ATOM 749 CA ALA A 51 5.231 -4.459 -2.160 1.00 0.00 C ATOM 750 C ALA A 51 4.298 -3.287 -1.881 1.00 0.00 C ATOM 751 O ALA A 51 3.078 -3.412 -1.992 1.00 0.00 O ATOM 752 CB ALA A 51 5.660 -5.117 -0.857 1.00 0.00 C ATOM 0 H ALA A 51 7.242 -3.902 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 51 4.686 -5.188 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.777 -5.432 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.280 -5.986 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.230 -4.405 -0.260 1.00 0.00 H new ATOM 758 N ILE A 52 4.878 -2.148 -1.517 1.00 0.00 N ATOM 759 CA ILE A 52 4.097 -0.953 -1.222 1.00 0.00 C ATOM 760 C ILE A 52 3.127 -0.637 -2.355 1.00 0.00 C ATOM 761 O ILE A 52 1.915 -0.791 -2.211 1.00 0.00 O ATOM 762 CB ILE A 52 5.005 0.268 -0.982 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.180 -0.113 -0.079 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.207 1.408 -0.368 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.892 1.079 0.520 1.00 0.00 C ATOM 0 H ILE A 52 5.886 -2.028 -1.419 1.00 0.00 H new ATOM 0 HA ILE A 52 3.534 -1.161 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 52 5.401 0.602 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.817 -0.752 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.895 -0.701 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.862 2.264 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.400 1.693 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.786 1.086 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.713 0.734 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.285 1.707 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.191 1.656 1.123 1.00 0.00 H new ATOM 777 N GLY A 53 3.670 -0.194 -3.486 1.00 0.00 N ATOM 778 CA GLY A 53 2.839 0.135 -4.629 1.00 0.00 C ATOM 779 C GLY A 53 1.653 -0.797 -4.771 1.00 0.00 C ATOM 780 O GLY A 53 0.513 -0.350 -4.905 1.00 0.00 O ATOM 0 H GLY A 53 4.670 -0.057 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.482 1.160 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.441 0.092 -5.536 1.00 0.00 H new ATOM 784 N THR A 54 1.919 -2.100 -4.744 1.00 0.00 N ATOM 785 CA THR A 54 0.866 -3.098 -4.874 1.00 0.00 C ATOM 786 C THR A 54 -0.355 -2.721 -4.043 1.00 0.00 C ATOM 787 O THR A 54 -1.478 -2.703 -4.545 1.00 0.00 O ATOM 788 CB THR A 54 1.356 -4.493 -4.441 1.00 0.00 C ATOM 789 OG1 THR A 54 2.536 -4.845 -5.172 1.00 0.00 O ATOM 790 CG2 THR A 54 0.279 -5.541 -4.672 1.00 0.00 C ATOM 0 H THR A 54 2.856 -2.488 -4.633 1.00 0.00 H new ATOM 0 HA THR A 54 0.590 -3.129 -5.928 1.00 0.00 H new ATOM 0 HB THR A 54 1.585 -4.460 -3.376 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.317 -4.427 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.648 -6.517 -4.359 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.608 -5.285 -4.092 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.023 -5.573 -5.731 1.00 0.00 H new ATOM 798 N ALA A 55 -0.127 -2.419 -2.769 1.00 0.00 N ATOM 799 CA ALA A 55 -1.209 -2.040 -1.868 1.00 0.00 C ATOM 800 C ALA A 55 -1.875 -0.746 -2.325 1.00 0.00 C ATOM 801 O ALA A 55 -3.087 -0.702 -2.536 1.00 0.00 O ATOM 802 CB ALA A 55 -0.685 -1.892 -0.447 1.00 0.00 C ATOM 0 H ALA A 55 0.797 -2.429 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.959 -2.831 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.503 -1.609 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.261 -2.840 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.085 -1.121 -0.422 1.00 0.00 H new ATOM 808 N TYR A 56 -1.076 0.304 -2.476 1.00 0.00 N ATOM 809 CA TYR A 56 -1.589 1.600 -2.905 1.00 0.00 C ATOM 810 C TYR A 56 -2.513 1.448 -4.109 1.00 0.00 C ATOM 811 O TYR A 56 -3.631 1.963 -4.117 1.00 0.00 O ATOM 812 CB TYR A 56 -0.433 2.540 -3.251 1.00 0.00 C ATOM 813 CG TYR A 56 -0.883 3.912 -3.701 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.561 4.761 -2.835 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.629 4.359 -4.992 1.00 0.00 C ATOM 816 CE1 TYR A 56 -1.974 6.015 -3.243 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.037 5.611 -5.407 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.710 6.435 -4.529 1.00 0.00 C ATOM 819 OH TYR A 56 -2.119 7.684 -4.939 1.00 0.00 O ATOM 0 H TYR A 56 -0.070 0.283 -2.308 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.162 2.027 -2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.212 2.646 -2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.169 2.088 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.769 4.436 -1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.103 3.716 -5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.501 6.663 -2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.830 5.943 -6.414 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.854 7.825 -5.872 1.00 0.00 H new ATOM 829 N ALA A 57 -2.038 0.735 -5.125 1.00 0.00 N ATOM 830 CA ALA A 57 -2.822 0.512 -6.334 1.00 0.00 C ATOM 831 C ALA A 57 -4.212 -0.016 -5.998 1.00 0.00 C ATOM 832 O ALA A 57 -5.222 0.575 -6.382 1.00 0.00 O ATOM 833 CB ALA A 57 -2.098 -0.453 -7.261 1.00 0.00 C ATOM 0 H ALA A 57 -1.115 0.302 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.940 1.469 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.694 -0.611 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.130 -0.035 -7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.951 -1.405 -6.752 1.00 0.00 H new ATOM 839 N VAL A 58 -4.258 -1.133 -5.278 1.00 0.00 N ATOM 840 CA VAL A 58 -5.525 -1.740 -4.889 1.00 0.00 C ATOM 841 C VAL A 58 -6.448 -0.717 -4.237 1.00 0.00 C ATOM 842 O VAL A 58 -7.462 -0.322 -4.815 1.00 0.00 O ATOM 843 CB VAL A 58 -5.309 -2.914 -3.916 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.644 -3.497 -3.477 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.436 -3.983 -4.556 1.00 0.00 C ATOM 0 H VAL A 58 -3.432 -1.635 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.990 -2.114 -5.801 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.795 -2.539 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.471 -4.325 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.230 -2.727 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.188 -3.857 -4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.294 -4.805 -3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.920 -4.356 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.467 -3.555 -4.814 1.00 0.00 H new ATOM 855 N LEU A 59 -6.091 -0.291 -3.031 1.00 0.00 N ATOM 856 CA LEU A 59 -6.887 0.688 -2.298 1.00 0.00 C ATOM 857 C LEU A 59 -7.130 1.934 -3.144 1.00 0.00 C ATOM 858 O LEU A 59 -8.272 2.271 -3.457 1.00 0.00 O ATOM 859 CB LEU A 59 -6.186 1.072 -0.994 1.00 0.00 C ATOM 860 CG LEU A 59 -5.725 -0.090 -0.113 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.118 0.430 1.181 1.00 0.00 C ATOM 862 CD2 LEU A 59 -6.884 -1.030 0.180 1.00 0.00 C ATOM 0 H LEU A 59 -5.255 -0.608 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.851 0.235 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.317 1.684 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.863 1.697 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.959 -0.648 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.796 -0.411 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.260 1.062 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.863 1.012 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.537 -1.851 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.673 -0.485 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.274 -1.429 -0.756 1.00 0.00 H new ATOM 874 N SER A 60 -6.048 2.614 -3.512 1.00 0.00 N ATOM 875 CA SER A 60 -6.144 3.824 -4.321 1.00 0.00 C ATOM 876 C SER A 60 -7.298 3.724 -5.313 1.00 0.00 C ATOM 877 O SER A 60 -7.977 4.711 -5.593 1.00 0.00 O ATOM 878 CB SER A 60 -4.832 4.067 -5.069 1.00 0.00 C ATOM 879 OG SER A 60 -4.915 5.226 -5.880 1.00 0.00 O ATOM 0 H SER A 60 -5.095 2.348 -3.263 1.00 0.00 H new ATOM 0 HA SER A 60 -6.334 4.664 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.017 4.177 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.597 3.202 -5.689 1.00 0.00 H new ATOM 0 HG SER A 60 -4.064 5.361 -6.346 1.00 0.00 H new ATOM 885 N ASN A 61 -7.514 2.524 -5.842 1.00 0.00 N ATOM 886 CA ASN A 61 -8.585 2.294 -6.804 1.00 0.00 C ATOM 887 C ASN A 61 -9.884 1.925 -6.094 1.00 0.00 C ATOM 888 O ASN A 61 -9.893 1.195 -5.102 1.00 0.00 O ATOM 889 CB ASN A 61 -8.192 1.184 -7.781 1.00 0.00 C ATOM 890 CG ASN A 61 -8.823 1.366 -9.148 1.00 0.00 C ATOM 891 OD1 ASN A 61 -8.289 2.076 -10.001 1.00 0.00 O ATOM 892 ND2 ASN A 61 -9.966 0.725 -9.362 1.00 0.00 N ATOM 0 H ASN A 61 -6.961 1.696 -5.620 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.745 3.218 -7.360 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.107 1.162 -7.885 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.492 0.220 -7.371 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.438 0.810 -10.262 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.372 0.147 -8.626 1.00 0.00 H new ATOM 899 N PRO A 62 -11.009 2.439 -6.613 1.00 0.00 N ATOM 900 CA PRO A 62 -12.335 2.177 -6.045 1.00 0.00 C ATOM 901 C PRO A 62 -12.781 0.734 -6.257 1.00 0.00 C ATOM 902 O PRO A 62 -13.232 0.072 -5.324 1.00 0.00 O ATOM 903 CB PRO A 62 -13.246 3.137 -6.814 1.00 0.00 C ATOM 904 CG PRO A 62 -12.543 3.374 -8.106 1.00 0.00 C ATOM 905 CD PRO A 62 -11.073 3.317 -7.794 1.00 0.00 C ATOM 0 HA PRO A 62 -12.353 2.324 -4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.233 2.703 -6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.392 4.068 -6.266 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.815 2.618 -8.843 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.815 4.342 -8.527 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.501 2.911 -8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.669 4.307 -7.581 1.00 0.00 H new ATOM 913 N GLU A 63 -12.651 0.254 -7.490 1.00 0.00 N ATOM 914 CA GLU A 63 -13.041 -1.110 -7.823 1.00 0.00 C ATOM 915 C GLU A 63 -12.239 -2.120 -7.008 1.00 0.00 C ATOM 916 O GLU A 63 -12.801 -2.915 -6.254 1.00 0.00 O ATOM 917 CB GLU A 63 -12.842 -1.371 -9.317 1.00 0.00 C ATOM 918 CG GLU A 63 -13.438 -2.687 -9.790 1.00 0.00 C ATOM 919 CD GLU A 63 -12.959 -3.871 -8.974 1.00 0.00 C ATOM 920 OE1 GLU A 63 -11.753 -4.189 -9.042 1.00 0.00 O ATOM 921 OE2 GLU A 63 -13.789 -4.481 -8.268 1.00 0.00 O ATOM 0 H GLU A 63 -12.279 0.790 -8.274 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.097 -1.228 -7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.291 -0.554 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.775 -1.364 -9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.525 -2.629 -9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.179 -2.843 -10.837 1.00 0.00 H new ATOM 928 N LYS A 64 -10.920 -2.084 -7.165 1.00 0.00 N ATOM 929 CA LYS A 64 -10.037 -2.994 -6.444 1.00 0.00 C ATOM 930 C LYS A 64 -10.275 -2.905 -4.940 1.00 0.00 C ATOM 931 O LYS A 64 -10.182 -3.905 -4.228 1.00 0.00 O ATOM 932 CB LYS A 64 -8.574 -2.675 -6.760 1.00 0.00 C ATOM 933 CG LYS A 64 -8.251 -2.706 -8.244 1.00 0.00 C ATOM 934 CD LYS A 64 -6.764 -2.900 -8.486 1.00 0.00 C ATOM 935 CE LYS A 64 -6.484 -3.338 -9.915 1.00 0.00 C ATOM 936 NZ LYS A 64 -5.082 -3.809 -10.087 1.00 0.00 N ATOM 0 H LYS A 64 -10.438 -1.434 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.259 -4.010 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.333 -1.688 -6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.935 -3.391 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.807 -3.513 -8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.578 -1.776 -8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.236 -1.969 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.376 -3.646 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.172 -4.137 -10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.673 -2.506 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.932 -4.098 -11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.425 -3.039 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.908 -4.619 -9.459 1.00 0.00 H new ATOM 950 N ARG A 65 -10.585 -1.704 -4.464 1.00 0.00 N ATOM 951 CA ARG A 65 -10.836 -1.486 -3.045 1.00 0.00 C ATOM 952 C ARG A 65 -12.096 -2.221 -2.597 1.00 0.00 C ATOM 953 O ARG A 65 -12.140 -2.795 -1.509 1.00 0.00 O ATOM 954 CB ARG A 65 -10.974 0.010 -2.753 1.00 0.00 C ATOM 955 CG ARG A 65 -11.279 0.321 -1.297 1.00 0.00 C ATOM 956 CD ARG A 65 -11.037 1.788 -0.978 1.00 0.00 C ATOM 957 NE ARG A 65 -11.540 2.151 0.344 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.832 2.277 0.629 1.00 0.00 C ATOM 959 NH1 ARG A 65 -13.745 2.070 -0.309 1.00 0.00 N ATOM 960 NH2 ARG A 65 -13.211 2.610 1.856 1.00 0.00 N ATOM 0 H ARG A 65 -10.668 -0.867 -5.041 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.987 -1.881 -2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.050 0.514 -3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.767 0.422 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.316 0.066 -1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.656 -0.300 -0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.969 1.999 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.521 2.408 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.863 2.317 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.457 1.813 -1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.736 2.168 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.511 2.769 2.580 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.203 2.707 2.075 1.00 0.00 H new ATOM 974 N LYS A 66 -13.120 -2.198 -3.443 1.00 0.00 N ATOM 975 CA LYS A 66 -14.382 -2.862 -3.137 1.00 0.00 C ATOM 976 C LYS A 66 -14.146 -4.307 -2.708 1.00 0.00 C ATOM 977 O LYS A 66 -14.455 -4.686 -1.579 1.00 0.00 O ATOM 978 CB LYS A 66 -15.310 -2.825 -4.353 1.00 0.00 C ATOM 979 CG LYS A 66 -15.886 -1.448 -4.637 1.00 0.00 C ATOM 980 CD LYS A 66 -17.072 -1.143 -3.738 1.00 0.00 C ATOM 981 CE LYS A 66 -18.304 -1.934 -4.153 1.00 0.00 C ATOM 982 NZ LYS A 66 -19.490 -1.589 -3.322 1.00 0.00 N ATOM 0 H LYS A 66 -13.101 -1.726 -4.347 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.854 -2.328 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.760 -3.168 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.129 -3.527 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.114 -0.693 -4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.195 -1.390 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.817 -1.380 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.293 -0.076 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.526 -1.737 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.097 -3.001 -4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.308 -2.149 -3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.288 -1.801 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.703 -0.576 -3.425 1.00 0.00 H new ATOM 996 N GLN A 67 -13.596 -5.106 -3.616 1.00 0.00 N ATOM 997 CA GLN A 67 -13.319 -6.509 -3.330 1.00 0.00 C ATOM 998 C GLN A 67 -12.488 -6.651 -2.059 1.00 0.00 C ATOM 999 O GLN A 67 -12.651 -7.609 -1.302 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.587 -7.156 -4.507 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.265 -6.486 -4.844 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.540 -7.168 -5.988 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -10.155 -6.526 -6.965 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -10.350 -8.477 -5.872 1.00 0.00 N ATOM 0 H GLN A 67 -13.333 -4.807 -4.555 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.271 -7.018 -3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.405 -8.206 -4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.233 -7.129 -5.385 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.446 -5.443 -5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.626 -6.488 -3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.686 -8.970 -5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.868 -8.990 -6.610 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.597 -5.693 -1.830 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.738 -5.713 -0.652 1.00 0.00 C ATOM 1015 C TYR A 68 -11.533 -5.382 0.607 1.00 0.00 C ATOM 1016 O TYR A 68 -11.195 -5.829 1.703 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.586 -4.720 -0.818 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.629 -4.702 0.352 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.894 -5.832 0.691 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.460 -3.557 1.120 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -7.018 -5.820 1.760 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.586 -3.536 2.190 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.868 -4.670 2.506 1.00 0.00 C ATOM 1024 OH TYR A 68 -5.997 -4.654 3.571 1.00 0.00 O ATOM 0 H TYR A 68 -11.451 -4.892 -2.445 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.330 -6.718 -0.548 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.033 -4.966 -1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.997 -3.720 -0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.009 -6.735 0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.022 -2.667 0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.454 -6.707 2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.466 -2.636 2.776 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.008 -3.768 3.990 1.00 0.00 H new ATOM 1034 N ASP A 69 -12.590 -4.596 0.441 1.00 0.00 N ATOM 1035 CA ASP A 69 -13.436 -4.205 1.563 1.00 0.00 C ATOM 1036 C ASP A 69 -14.483 -5.275 1.853 1.00 0.00 C ATOM 1037 O ASP A 69 -14.926 -5.431 2.991 1.00 0.00 O ATOM 1038 CB ASP A 69 -14.121 -2.869 1.272 1.00 0.00 C ATOM 1039 CG ASP A 69 -13.271 -1.681 1.680 1.00 0.00 C ATOM 1040 OD1 ASP A 69 -12.119 -1.588 1.209 1.00 0.00 O ATOM 1041 OD2 ASP A 69 -13.759 -0.846 2.470 1.00 0.00 O ATOM 0 H ASP A 69 -12.882 -4.217 -0.460 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.802 -4.095 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.345 -2.803 0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.073 -2.829 1.801 1.00 0.00 H new ATOM 1046 N GLN A 70 -14.875 -6.009 0.816 1.00 0.00 N ATOM 1047 CA GLN A 70 -15.872 -7.063 0.960 1.00 0.00 C ATOM 1048 C GLN A 70 -15.230 -8.356 1.450 1.00 0.00 C ATOM 1049 O GLN A 70 -15.662 -8.937 2.446 1.00 0.00 O ATOM 1050 CB GLN A 70 -16.584 -7.306 -0.372 1.00 0.00 C ATOM 1051 CG GLN A 70 -17.509 -6.172 -0.783 1.00 0.00 C ATOM 1052 CD GLN A 70 -18.671 -5.991 0.173 1.00 0.00 C ATOM 1053 OE1 GLN A 70 -18.680 -5.069 0.990 1.00 0.00 O ATOM 1054 NE2 GLN A 70 -19.660 -6.872 0.078 1.00 0.00 N ATOM 0 H GLN A 70 -14.517 -5.893 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.603 -6.738 1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.837 -7.455 -1.152 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -17.161 -8.228 -0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.939 -5.244 -0.836 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.894 -6.367 -1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.612 -7.620 -0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -20.468 -6.800 0.696 1.00 0.00 H new ATOM 1063 N PHE A 71 -14.196 -8.802 0.744 1.00 0.00 N ATOM 1064 CA PHE A 71 -13.495 -10.028 1.107 1.00 0.00 C ATOM 1065 C PHE A 71 -12.089 -9.721 1.616 1.00 0.00 C ATOM 1066 O PHE A 71 -11.814 -9.821 2.811 1.00 0.00 O ATOM 1067 CB PHE A 71 -13.419 -10.972 -0.095 1.00 0.00 C ATOM 1068 CG PHE A 71 -14.758 -11.283 -0.699 1.00 0.00 C ATOM 1069 CD1 PHE A 71 -15.341 -10.415 -1.609 1.00 0.00 C ATOM 1070 CD2 PHE A 71 -15.436 -12.442 -0.356 1.00 0.00 C ATOM 1071 CE1 PHE A 71 -16.574 -10.698 -2.167 1.00 0.00 C ATOM 1072 CE2 PHE A 71 -16.668 -12.730 -0.911 1.00 0.00 C ATOM 1073 CZ PHE A 71 -17.238 -11.857 -1.817 1.00 0.00 C ATOM 0 H PHE A 71 -13.825 -8.333 -0.082 1.00 0.00 H new ATOM 0 HA PHE A 71 -14.054 -10.513 1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -12.780 -10.526 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -12.944 -11.903 0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.826 -9.507 -1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -14.996 -13.128 0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -17.017 -10.014 -2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.185 -13.637 -0.637 1.00 0.00 H new ATOM 0 HZ PHE A 71 -18.201 -12.081 -2.251 1.00 0.00 H new ATOM 1083 N GLY A 72 -11.203 -9.345 0.699 1.00 0.00 N ATOM 1084 CA GLY A 72 -9.837 -9.029 1.073 1.00 0.00 C ATOM 1085 C GLY A 72 -8.855 -9.275 -0.056 1.00 0.00 C ATOM 1086 O GLY A 72 -8.972 -8.682 -1.129 1.00 0.00 O ATOM 0 H GLY A 72 -11.407 -9.254 -0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.780 -7.984 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.552 -9.630 1.936 1.00 0.00 H new ATOM 1090 N SER A 73 -7.884 -10.149 0.186 1.00 0.00 N ATOM 1091 CA SER A 73 -6.875 -10.468 -0.816 1.00 0.00 C ATOM 1092 C SER A 73 -6.961 -11.934 -1.228 1.00 0.00 C ATOM 1093 O SER A 73 -6.367 -12.805 -0.595 1.00 0.00 O ATOM 1094 CB SER A 73 -5.476 -10.159 -0.278 1.00 0.00 C ATOM 1095 OG SER A 73 -4.479 -10.806 -1.050 1.00 0.00 O ATOM 0 H SER A 73 -7.775 -10.649 1.068 1.00 0.00 H new ATOM 0 HA SER A 73 -7.064 -9.851 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.308 -9.082 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.403 -10.482 0.761 1.00 0.00 H new ATOM 0 HG SER A 73 -3.594 -10.592 -0.687 1.00 0.00 H new ATOM 1101 N GLY A 74 -7.708 -12.199 -2.296 1.00 0.00 N ATOM 1102 CA GLY A 74 -7.860 -13.561 -2.775 1.00 0.00 C ATOM 1103 C GLY A 74 -8.127 -14.544 -1.653 1.00 0.00 C ATOM 1104 O GLY A 74 -8.571 -14.173 -0.566 1.00 0.00 O ATOM 0 H GLY A 74 -8.210 -11.495 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.680 -13.601 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.957 -13.859 -3.307 1.00 0.00 H new ATOM 1108 N PRO A 75 -7.856 -15.832 -1.912 1.00 0.00 N ATOM 1109 CA PRO A 75 -8.063 -16.898 -0.928 1.00 0.00 C ATOM 1110 C PRO A 75 -7.072 -16.820 0.229 1.00 0.00 C ATOM 1111 O PRO A 75 -5.884 -17.095 0.061 1.00 0.00 O ATOM 1112 CB PRO A 75 -7.839 -18.177 -1.738 1.00 0.00 C ATOM 1113 CG PRO A 75 -6.949 -17.765 -2.859 1.00 0.00 C ATOM 1114 CD PRO A 75 -7.325 -16.346 -3.186 1.00 0.00 C ATOM 0 HA PRO A 75 -9.047 -16.838 -0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.376 -18.954 -1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -8.781 -18.581 -2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -5.900 -17.834 -2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -7.085 -18.414 -3.724 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.464 -15.770 -3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.071 -16.300 -3.980 1.00 0.00 H new ATOM 1122 N SER A 76 -7.569 -16.444 1.403 1.00 0.00 N ATOM 1123 CA SER A 76 -6.726 -16.326 2.587 1.00 0.00 C ATOM 1124 C SER A 76 -7.083 -17.394 3.616 1.00 0.00 C ATOM 1125 O SER A 76 -8.252 -17.744 3.784 1.00 0.00 O ATOM 1126 CB SER A 76 -6.872 -14.935 3.207 1.00 0.00 C ATOM 1127 OG SER A 76 -6.138 -13.970 2.474 1.00 0.00 O ATOM 0 H SER A 76 -8.551 -16.216 1.560 1.00 0.00 H new ATOM 0 HA SER A 76 -5.690 -16.472 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.925 -14.653 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.523 -14.955 4.239 1.00 0.00 H new ATOM 0 HG SER A 76 -6.249 -13.089 2.890 1.00 0.00 H new ATOM 1133 N SER A 77 -6.068 -17.908 4.303 1.00 0.00 N ATOM 1134 CA SER A 77 -6.273 -18.939 5.314 1.00 0.00 C ATOM 1135 C SER A 77 -5.768 -18.473 6.676 1.00 0.00 C ATOM 1136 O SER A 77 -6.420 -18.685 7.698 1.00 0.00 O ATOM 1137 CB SER A 77 -5.561 -20.231 4.908 1.00 0.00 C ATOM 1138 OG SER A 77 -6.305 -20.938 3.931 1.00 0.00 O ATOM 0 H SER A 77 -5.095 -17.627 4.178 1.00 0.00 H new ATOM 0 HA SER A 77 -7.343 -19.131 5.389 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.571 -19.997 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.416 -20.861 5.785 1.00 0.00 H new ATOM 0 HG SER A 77 -5.828 -21.759 3.687 1.00 0.00 H new ATOM 1144 N GLY A 78 -4.600 -17.837 6.681 1.00 0.00 N ATOM 1145 CA GLY A 78 -4.026 -17.351 7.922 1.00 0.00 C ATOM 1146 C GLY A 78 -2.546 -17.656 8.034 1.00 0.00 C ATOM 1147 O GLY A 78 -1.896 -17.984 7.042 1.00 0.00 O ATOM 0 H GLY A 78 -4.042 -17.650 5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.178 -16.274 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.552 -17.803 8.763 1.00 0.00 H new TER 1151 GLY A 78