USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 717 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 Set 1.1: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 SER OG : rot 180:sc= 0 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 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 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 HIS :FLIP no HE2:sc= 0.0124 F(o=-0.61,f=0.012) USER MOD Single : A 10 THR OG1 : rot -120:sc= -1.45 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 30:sc= -0.655 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 20 ASN : amide:sc= -0.43 K(o=-0.43,f=-2.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0885 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.148 F(o=-1.1,f=-0.15) USER MOD Single : A 34 SER OG : rot 44:sc= -4.69! USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 100:sc= 0.149 USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= 0.596 (180deg=0.158) USER MOD Single : A 43 SER OG : rot 22:sc= 1.05 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 180:sc= 0.12 USER MOD Single : A 48 SER OG : rot -1:sc= 0.549 USER MOD Single : A 55 ASN : amide:sc= -0.0301 X(o=-0.03,f=-0.04) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 58 SER OG : rot -170:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.104 K(o=0.1,f=-3.2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 179:sc= -2.48! (180deg=-2.49) USER MOD Single : A 68 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.9) USER MOD Single : A 74 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.7) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 88 CYS SG : rot 56:sc= -0.105 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.452 16.470 8.372 1.00 0.00 N ATOM 2 CA GLY A 1 14.610 17.755 7.715 1.00 0.00 C ATOM 3 C GLY A 1 13.715 18.824 8.309 1.00 0.00 C ATOM 4 O GLY A 1 12.512 18.617 8.470 1.00 0.00 O ATOM 0 H1 GLY A 1 15.085 15.774 7.929 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.691 16.564 9.380 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.467 16.151 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.650 18.073 7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.386 17.647 6.654 1.00 0.00 H new ATOM 8 N SER A 2 14.302 19.970 8.637 1.00 0.00 N ATOM 9 CA SER A 2 13.551 21.074 9.222 1.00 0.00 C ATOM 10 C SER A 2 13.631 22.315 8.337 1.00 0.00 C ATOM 11 O SER A 2 12.610 22.853 7.910 1.00 0.00 O ATOM 12 CB SER A 2 14.081 21.396 10.620 1.00 0.00 C ATOM 13 OG SER A 2 13.409 20.634 11.608 1.00 0.00 O ATOM 0 H SER A 2 15.296 20.158 8.507 1.00 0.00 H new ATOM 0 HA SER A 2 12.507 20.770 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.151 21.191 10.663 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.952 22.459 10.826 1.00 0.00 H new ATOM 0 HG SER A 2 13.767 20.857 12.493 1.00 0.00 H new ATOM 19 N SER A 3 14.853 22.764 8.068 1.00 0.00 N ATOM 20 CA SER A 3 15.068 23.943 7.237 1.00 0.00 C ATOM 21 C SER A 3 15.736 23.565 5.919 1.00 0.00 C ATOM 22 O SER A 3 16.939 23.311 5.870 1.00 0.00 O ATOM 23 CB SER A 3 15.927 24.967 7.982 1.00 0.00 C ATOM 24 OG SER A 3 15.815 26.251 7.393 1.00 0.00 O ATOM 0 H SER A 3 15.709 22.329 8.413 1.00 0.00 H new ATOM 0 HA SER A 3 14.096 24.385 7.017 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.618 25.014 9.026 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.969 24.648 7.972 1.00 0.00 H new ATOM 0 HG SER A 3 16.372 26.888 7.888 1.00 0.00 H new ATOM 30 N GLY A 4 14.945 23.528 4.851 1.00 0.00 N ATOM 31 CA GLY A 4 15.476 23.180 3.546 1.00 0.00 C ATOM 32 C GLY A 4 14.398 23.099 2.484 1.00 0.00 C ATOM 33 O GLY A 4 13.841 24.118 2.076 1.00 0.00 O ATOM 0 H GLY A 4 13.946 23.733 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.218 23.921 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.991 22.221 3.611 1.00 0.00 H new ATOM 37 N SER A 5 14.103 21.884 2.033 1.00 0.00 N ATOM 38 CA SER A 5 13.088 21.674 1.008 1.00 0.00 C ATOM 39 C SER A 5 11.726 21.405 1.639 1.00 0.00 C ATOM 40 O SER A 5 11.337 20.254 1.837 1.00 0.00 O ATOM 41 CB SER A 5 13.482 20.506 0.101 1.00 0.00 C ATOM 42 OG SER A 5 14.541 20.870 -0.768 1.00 0.00 O ATOM 0 H SER A 5 14.553 21.030 2.362 1.00 0.00 H new ATOM 0 HA SER A 5 13.019 22.582 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.784 19.654 0.710 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.619 20.189 -0.485 1.00 0.00 H new ATOM 0 HG SER A 5 14.775 20.106 -1.336 1.00 0.00 H new ATOM 48 N SER A 6 11.004 22.477 1.952 1.00 0.00 N ATOM 49 CA SER A 6 9.686 22.358 2.565 1.00 0.00 C ATOM 50 C SER A 6 8.940 21.145 2.018 1.00 0.00 C ATOM 51 O SER A 6 8.447 20.312 2.777 1.00 0.00 O ATOM 52 CB SER A 6 8.869 23.628 2.317 1.00 0.00 C ATOM 53 OG SER A 6 9.304 24.686 3.154 1.00 0.00 O ATOM 0 H SER A 6 11.309 23.437 1.791 1.00 0.00 H new ATOM 0 HA SER A 6 9.822 22.225 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.961 23.925 1.272 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.813 23.426 2.499 1.00 0.00 H new ATOM 0 HG SER A 6 8.768 25.486 2.975 1.00 0.00 H new ATOM 59 N GLY A 7 8.862 21.053 0.694 1.00 0.00 N ATOM 60 CA GLY A 7 8.174 19.940 0.066 1.00 0.00 C ATOM 61 C GLY A 7 8.990 18.663 0.099 1.00 0.00 C ATOM 62 O GLY A 7 10.184 18.672 -0.205 1.00 0.00 O ATOM 0 H GLY A 7 9.263 21.730 0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.223 19.773 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.945 20.195 -0.969 1.00 0.00 H new ATOM 66 N CYS A 8 8.347 17.561 0.470 1.00 0.00 N ATOM 67 CA CYS A 8 9.022 16.270 0.544 1.00 0.00 C ATOM 68 C CYS A 8 8.014 15.126 0.495 1.00 0.00 C ATOM 69 O CYS A 8 6.825 15.321 0.753 1.00 0.00 O ATOM 70 CB CYS A 8 9.854 16.178 1.823 1.00 0.00 C ATOM 71 SG CYS A 8 11.286 15.082 1.696 1.00 0.00 S ATOM 0 H CYS A 8 7.359 17.536 0.724 1.00 0.00 H new ATOM 0 HA CYS A 8 9.684 16.184 -0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.197 17.177 2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.215 15.831 2.635 1.00 0.00 H new ATOM 0 HG CYS A 8 11.927 15.073 2.827 1.00 0.00 H new ATOM 77 N HIS A 9 8.496 13.933 0.162 1.00 0.00 N ATOM 78 CA HIS A 9 7.636 12.758 0.079 1.00 0.00 C ATOM 79 C HIS A 9 6.768 12.629 1.327 1.00 0.00 C ATOM 80 O HIS A 9 7.163 13.045 2.417 1.00 0.00 O ATOM 81 CB HIS A 9 8.479 11.495 -0.102 1.00 0.00 C ATOM 82 CG HIS A 9 8.738 11.148 -1.536 1.00 0.00 C ATOM 83 ND1 HIS A 9 8.015 10.413 -2.413 1.00 0.00 N flip ATOM 84 CD2 HIS A 9 9.857 11.569 -2.222 1.00 0.00 C flip ATOM 85 CE1 HIS A 9 8.703 10.405 -3.602 1.00 0.00 C flip ATOM 86 NE2 HIS A 9 9.811 11.110 -3.460 1.00 0.00 N flip ATOM 0 H HIS A 9 9.477 13.754 -0.055 1.00 0.00 H new ATOM 0 HA HIS A 9 6.983 12.878 -0.785 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.433 11.628 0.409 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.973 10.658 0.380 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.125 9.951 -2.226 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.648 12.179 -1.811 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.389 9.904 -4.506 1.00 0.00 H new ATOM 94 N THR A 10 5.583 12.052 1.161 1.00 0.00 N ATOM 95 CA THR A 10 4.658 11.870 2.273 1.00 0.00 C ATOM 96 C THR A 10 4.350 10.394 2.497 1.00 0.00 C ATOM 97 O THR A 10 3.661 9.765 1.693 1.00 0.00 O ATOM 98 CB THR A 10 3.338 12.629 2.036 1.00 0.00 C ATOM 99 OG1 THR A 10 3.613 13.977 1.638 1.00 0.00 O ATOM 100 CG2 THR A 10 2.481 12.630 3.293 1.00 0.00 C ATOM 0 H THR A 10 5.240 11.702 0.266 1.00 0.00 H new ATOM 0 HA THR A 10 5.147 12.274 3.160 1.00 0.00 H new ATOM 0 HB THR A 10 2.790 12.121 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.214 14.597 2.284 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.555 13.172 3.101 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.249 11.603 3.576 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.024 13.116 4.103 1.00 0.00 H new ATOM 108 N LEU A 11 4.862 9.847 3.593 1.00 0.00 N ATOM 109 CA LEU A 11 4.641 8.444 3.924 1.00 0.00 C ATOM 110 C LEU A 11 3.383 8.276 4.770 1.00 0.00 C ATOM 111 O LEU A 11 3.073 9.116 5.616 1.00 0.00 O ATOM 112 CB LEU A 11 5.850 7.878 4.670 1.00 0.00 C ATOM 113 CG LEU A 11 7.147 7.775 3.866 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.353 7.985 4.769 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.233 6.428 3.163 1.00 0.00 C ATOM 0 H LEU A 11 5.434 10.354 4.269 1.00 0.00 H new ATOM 0 HA LEU A 11 4.507 7.894 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.037 8.501 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.593 6.884 5.036 1.00 0.00 H new ATOM 0 HG LEU A 11 7.145 8.559 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.267 7.908 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.298 8.973 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.360 7.224 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.162 6.372 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.212 5.629 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.387 6.317 2.485 1.00 0.00 H new ATOM 127 N LEU A 12 2.661 7.185 4.537 1.00 0.00 N ATOM 128 CA LEU A 12 1.437 6.904 5.279 1.00 0.00 C ATOM 129 C LEU A 12 1.628 5.715 6.215 1.00 0.00 C ATOM 130 O LEU A 12 2.476 4.855 5.977 1.00 0.00 O ATOM 131 CB LEU A 12 0.284 6.627 4.313 1.00 0.00 C ATOM 132 CG LEU A 12 -0.362 7.855 3.670 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.502 7.439 2.752 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.860 8.817 4.739 1.00 0.00 C ATOM 0 H LEU A 12 2.902 6.481 3.840 1.00 0.00 H new ATOM 0 HA LEU A 12 1.197 7.781 5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.650 5.976 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.487 6.074 4.849 1.00 0.00 H new ATOM 0 HG LEU A 12 0.391 8.367 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.950 8.326 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.117 6.789 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.256 6.904 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.317 9.685 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.599 8.315 5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.022 9.141 5.356 1.00 0.00 H new ATOM 146 N TYR A 13 0.834 5.673 7.279 1.00 0.00 N ATOM 147 CA TYR A 13 0.915 4.589 8.251 1.00 0.00 C ATOM 148 C TYR A 13 -0.439 3.907 8.422 1.00 0.00 C ATOM 149 O TYR A 13 -1.369 4.480 8.989 1.00 0.00 O ATOM 150 CB TYR A 13 1.404 5.121 9.599 1.00 0.00 C ATOM 151 CG TYR A 13 2.765 5.776 9.534 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.712 5.366 8.604 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.104 6.807 10.403 1.00 0.00 C ATOM 154 CE1 TYR A 13 4.957 5.961 8.541 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.346 7.409 10.347 1.00 0.00 C ATOM 156 CZ TYR A 13 5.269 6.982 9.415 1.00 0.00 C ATOM 157 OH TYR A 13 6.508 7.579 9.355 1.00 0.00 O ATOM 0 H TYR A 13 0.127 6.377 7.490 1.00 0.00 H new ATOM 0 HA TYR A 13 1.627 3.853 7.878 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.681 5.842 9.979 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.440 4.298 10.313 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.470 4.568 7.918 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.384 7.143 11.134 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.682 5.629 7.812 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.593 8.209 11.029 1.00 0.00 H new ATOM 0 HH TYR A 13 6.567 8.280 10.037 1.00 0.00 H new ATOM 167 N VAL A 14 -0.541 2.678 7.927 1.00 0.00 N ATOM 168 CA VAL A 14 -1.780 1.915 8.025 1.00 0.00 C ATOM 169 C VAL A 14 -1.765 0.998 9.242 1.00 0.00 C ATOM 170 O VAL A 14 -0.712 0.507 9.650 1.00 0.00 O ATOM 171 CB VAL A 14 -2.019 1.068 6.761 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.449 0.551 6.727 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.707 1.877 5.511 1.00 0.00 C ATOM 0 H VAL A 14 0.219 2.189 7.454 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.590 2.638 8.128 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.348 0.210 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.599 -0.045 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.634 -0.066 7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.141 1.394 6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.881 1.263 4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.352 2.755 5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.664 2.193 5.533 1.00 0.00 H new ATOM 183 N TYR A 15 -2.940 0.770 9.818 1.00 0.00 N ATOM 184 CA TYR A 15 -3.063 -0.088 10.991 1.00 0.00 C ATOM 185 C TYR A 15 -4.323 -0.945 10.910 1.00 0.00 C ATOM 186 O TYR A 15 -5.158 -0.758 10.027 1.00 0.00 O ATOM 187 CB TYR A 15 -3.089 0.757 12.266 1.00 0.00 C ATOM 188 CG TYR A 15 -1.944 1.740 12.364 1.00 0.00 C ATOM 189 CD1 TYR A 15 -2.038 3.005 11.797 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.769 1.404 13.025 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.994 3.906 11.884 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.280 2.299 13.117 1.00 0.00 C ATOM 193 CZ TYR A 15 0.162 3.548 12.545 1.00 0.00 C ATOM 194 OH TYR A 15 1.204 4.443 12.635 1.00 0.00 O ATOM 0 H TYR A 15 -3.821 1.167 9.492 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.197 -0.749 11.018 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.031 1.304 12.311 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.064 0.095 13.131 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.942 3.289 11.279 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.674 0.427 13.475 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.083 4.885 11.437 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.187 2.022 13.634 1.00 0.00 H new ATOM 0 HH TYR A 15 0.851 5.357 12.638 1.00 0.00 H new ATOM 204 N ASN A 16 -4.452 -1.885 11.841 1.00 0.00 N ATOM 205 CA ASN A 16 -5.609 -2.771 11.876 1.00 0.00 C ATOM 206 C ASN A 16 -5.719 -3.574 10.584 1.00 0.00 C ATOM 207 O ASN A 16 -6.769 -3.595 9.940 1.00 0.00 O ATOM 208 CB ASN A 16 -6.890 -1.964 12.098 1.00 0.00 C ATOM 209 CG ASN A 16 -7.125 -1.645 13.562 1.00 0.00 C ATOM 210 OD1 ASN A 16 -6.277 -1.046 14.223 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.282 -2.046 14.076 1.00 0.00 N ATOM 0 H ASN A 16 -3.770 -2.052 12.581 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.477 -3.466 12.705 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.834 -1.035 11.531 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.741 -2.524 11.710 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.496 -1.860 15.056 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.956 -2.540 13.491 1.00 0.00 H new ATOM 218 N LEU A 17 -4.629 -4.234 10.209 1.00 0.00 N ATOM 219 CA LEU A 17 -4.602 -5.040 8.994 1.00 0.00 C ATOM 220 C LEU A 17 -4.915 -6.501 9.302 1.00 0.00 C ATOM 221 O LEU A 17 -4.680 -6.992 10.406 1.00 0.00 O ATOM 222 CB LEU A 17 -3.234 -4.932 8.317 1.00 0.00 C ATOM 223 CG LEU A 17 -2.997 -3.674 7.481 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.514 -3.340 7.428 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.556 -3.853 6.077 1.00 0.00 C ATOM 0 H LEU A 17 -3.752 -4.227 10.729 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.367 -4.658 8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.465 -4.982 9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.099 -5.802 7.674 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.519 -2.843 7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.365 -2.442 6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.143 -3.168 8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.970 -4.171 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.378 -2.948 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.063 -4.697 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.628 -4.043 6.134 1.00 0.00 H new ATOM 237 N PRO A 18 -5.456 -7.214 8.302 1.00 0.00 N ATOM 238 CA PRO A 18 -5.810 -8.629 8.441 1.00 0.00 C ATOM 239 C PRO A 18 -4.582 -9.527 8.547 1.00 0.00 C ATOM 240 O PRO A 18 -4.092 -10.046 7.545 1.00 0.00 O ATOM 241 CB PRO A 18 -6.583 -8.930 7.154 1.00 0.00 C ATOM 242 CG PRO A 18 -6.080 -7.932 6.169 1.00 0.00 C ATOM 243 CD PRO A 18 -5.763 -6.693 6.960 1.00 0.00 C ATOM 0 HA PRO A 18 -6.380 -8.818 9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.402 -9.949 6.813 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.658 -8.830 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.194 -8.304 5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.829 -7.726 5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.917 -6.151 6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.606 -6.003 6.980 1.00 0.00 H new ATOM 251 N ALA A 19 -4.090 -9.706 9.769 1.00 0.00 N ATOM 252 CA ALA A 19 -2.920 -10.543 10.005 1.00 0.00 C ATOM 253 C ALA A 19 -3.111 -11.934 9.411 1.00 0.00 C ATOM 254 O ALA A 19 -2.270 -12.417 8.655 1.00 0.00 O ATOM 255 CB ALA A 19 -2.633 -10.639 11.496 1.00 0.00 C ATOM 0 H ALA A 19 -4.483 -9.283 10.610 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.066 -10.080 9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.757 -11.267 11.658 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.444 -9.642 11.895 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.492 -11.077 12.004 1.00 0.00 H new ATOM 261 N ASN A 20 -4.223 -12.574 9.759 1.00 0.00 N ATOM 262 CA ASN A 20 -4.524 -13.911 9.260 1.00 0.00 C ATOM 263 C ASN A 20 -4.261 -14.004 7.760 1.00 0.00 C ATOM 264 O ASN A 20 -3.585 -14.920 7.293 1.00 0.00 O ATOM 265 CB ASN A 20 -5.980 -14.273 9.558 1.00 0.00 C ATOM 266 CG ASN A 20 -6.341 -15.664 9.072 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.366 -15.927 7.870 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.622 -16.562 10.009 1.00 0.00 N ATOM 0 H ASN A 20 -4.930 -12.188 10.385 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.869 -14.618 9.770 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.155 -14.210 10.632 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.637 -13.544 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.871 -17.515 9.744 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.589 -16.299 10.994 1.00 0.00 H new ATOM 275 N LYS A 21 -4.800 -13.048 7.010 1.00 0.00 N ATOM 276 CA LYS A 21 -4.623 -13.020 5.563 1.00 0.00 C ATOM 277 C LYS A 21 -3.145 -12.923 5.198 1.00 0.00 C ATOM 278 O LYS A 21 -2.501 -11.903 5.442 1.00 0.00 O ATOM 279 CB LYS A 21 -5.387 -11.839 4.959 1.00 0.00 C ATOM 280 CG LYS A 21 -6.848 -11.785 5.371 1.00 0.00 C ATOM 281 CD LYS A 21 -7.634 -12.948 4.790 1.00 0.00 C ATOM 282 CE LYS A 21 -7.536 -12.985 3.272 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.494 -13.957 2.677 1.00 0.00 N ATOM 0 H LYS A 21 -5.363 -12.282 7.381 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.020 -13.949 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.899 -10.911 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.327 -11.896 3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.921 -11.802 6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.287 -10.845 5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.259 -13.884 5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.680 -12.866 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.732 -11.990 2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.520 -13.252 2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.396 -13.952 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.291 -14.910 3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.465 -13.688 2.934 1.00 0.00 H new ATOM 297 N ASP A 22 -2.615 -13.991 4.610 1.00 0.00 N ATOM 298 CA ASP A 22 -1.214 -14.025 4.208 1.00 0.00 C ATOM 299 C ASP A 22 -0.749 -12.650 3.741 1.00 0.00 C ATOM 300 O ASP A 22 -1.336 -12.059 2.836 1.00 0.00 O ATOM 301 CB ASP A 22 -1.006 -15.054 3.096 1.00 0.00 C ATOM 302 CG ASP A 22 -0.935 -16.473 3.624 1.00 0.00 C ATOM 303 OD1 ASP A 22 0.083 -16.819 4.259 1.00 0.00 O ATOM 304 OD2 ASP A 22 -1.898 -17.237 3.404 1.00 0.00 O ATOM 0 H ASP A 22 -3.135 -14.844 4.402 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.619 -14.313 5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.822 -14.978 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.086 -14.823 2.559 1.00 0.00 H new ATOM 309 N GLY A 23 0.311 -12.145 4.365 1.00 0.00 N ATOM 310 CA GLY A 23 0.837 -10.842 4.000 1.00 0.00 C ATOM 311 C GLY A 23 0.923 -10.652 2.498 1.00 0.00 C ATOM 312 O GLY A 23 0.263 -9.777 1.937 1.00 0.00 O ATOM 0 H GLY A 23 0.815 -12.615 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.202 -10.065 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.828 -10.718 4.436 1.00 0.00 H new ATOM 316 N LYS A 24 1.739 -11.472 1.846 1.00 0.00 N ATOM 317 CA LYS A 24 1.910 -11.391 0.400 1.00 0.00 C ATOM 318 C LYS A 24 0.604 -10.997 -0.282 1.00 0.00 C ATOM 319 O LYS A 24 0.598 -10.196 -1.216 1.00 0.00 O ATOM 320 CB LYS A 24 2.402 -12.732 -0.152 1.00 0.00 C ATOM 321 CG LYS A 24 3.908 -12.907 -0.071 1.00 0.00 C ATOM 322 CD LYS A 24 4.370 -14.128 -0.849 1.00 0.00 C ATOM 323 CE LYS A 24 5.885 -14.266 -0.822 1.00 0.00 C ATOM 324 NZ LYS A 24 6.328 -15.606 -1.297 1.00 0.00 N ATOM 0 H LYS A 24 2.293 -12.201 2.296 1.00 0.00 H new ATOM 0 HA LYS A 24 2.654 -10.623 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.921 -13.540 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.089 -12.824 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.400 -12.017 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.208 -13.004 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.914 -15.024 -0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.029 -14.053 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.331 -13.493 -1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.247 -14.103 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.366 -15.660 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.923 -16.343 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.005 -15.752 -2.275 1.00 0.00 H new ATOM 338 N SER A 25 -0.500 -11.564 0.193 1.00 0.00 N ATOM 339 CA SER A 25 -1.813 -11.273 -0.373 1.00 0.00 C ATOM 340 C SER A 25 -2.262 -9.863 -0.005 1.00 0.00 C ATOM 341 O SER A 25 -2.749 -9.113 -0.851 1.00 0.00 O ATOM 342 CB SER A 25 -2.841 -12.293 0.120 1.00 0.00 C ATOM 343 OG SER A 25 -2.546 -13.591 -0.367 1.00 0.00 O ATOM 0 H SER A 25 -0.512 -12.227 0.968 1.00 0.00 H new ATOM 0 HA SER A 25 -1.737 -11.340 -1.458 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.853 -12.304 1.210 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.838 -11.996 -0.207 1.00 0.00 H new ATOM 0 HG SER A 25 -3.217 -14.225 -0.036 1.00 0.00 H new ATOM 349 N VAL A 26 -2.095 -9.507 1.265 1.00 0.00 N ATOM 350 CA VAL A 26 -2.482 -8.187 1.747 1.00 0.00 C ATOM 351 C VAL A 26 -1.816 -7.086 0.929 1.00 0.00 C ATOM 352 O VAL A 26 -2.481 -6.174 0.439 1.00 0.00 O ATOM 353 CB VAL A 26 -2.115 -8.001 3.231 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.585 -6.644 3.732 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.707 -9.123 4.071 1.00 0.00 C ATOM 0 H VAL A 26 -1.694 -10.115 1.979 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.564 -8.115 1.636 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.030 -8.040 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.317 -6.531 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.108 -5.856 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.667 -6.571 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.438 -8.976 5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.792 -9.118 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.316 -10.080 3.727 1.00 0.00 H new ATOM 365 N SER A 27 -0.498 -7.180 0.783 1.00 0.00 N ATOM 366 CA SER A 27 0.260 -6.190 0.027 1.00 0.00 C ATOM 367 C SER A 27 -0.459 -5.832 -1.271 1.00 0.00 C ATOM 368 O SER A 27 -0.459 -4.677 -1.695 1.00 0.00 O ATOM 369 CB SER A 27 1.662 -6.717 -0.282 1.00 0.00 C ATOM 370 OG SER A 27 2.142 -7.537 0.769 1.00 0.00 O ATOM 0 H SER A 27 0.067 -7.932 1.178 1.00 0.00 H new ATOM 0 HA SER A 27 0.345 -5.290 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.643 -7.286 -1.212 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.343 -5.880 -0.434 1.00 0.00 H new ATOM 0 HG SER A 27 3.039 -7.863 0.546 1.00 0.00 H new ATOM 376 N ASN A 28 -1.070 -6.832 -1.897 1.00 0.00 N ATOM 377 CA ASN A 28 -1.793 -6.624 -3.146 1.00 0.00 C ATOM 378 C ASN A 28 -3.008 -5.728 -2.930 1.00 0.00 C ATOM 379 O ASN A 28 -3.089 -4.631 -3.482 1.00 0.00 O ATOM 380 CB ASN A 28 -2.233 -7.966 -3.735 1.00 0.00 C ATOM 381 CG ASN A 28 -2.847 -7.819 -5.113 1.00 0.00 C ATOM 382 OD1 ASN A 28 -4.078 -7.323 -5.163 1.00 0.00 O flip ATOM 383 ND2 ASN A 28 -2.222 -8.148 -6.122 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.079 -7.795 -1.560 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.120 -6.130 -3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.373 -8.634 -3.793 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.956 -8.434 -3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.278 -8.525 -6.037 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.648 -8.044 -7.043 1.00 0.00 H new ATOM 390 N ARG A 29 -3.950 -6.203 -2.122 1.00 0.00 N ATOM 391 CA ARG A 29 -5.162 -5.446 -1.832 1.00 0.00 C ATOM 392 C ARG A 29 -4.846 -3.964 -1.648 1.00 0.00 C ATOM 393 O ARG A 29 -5.540 -3.099 -2.184 1.00 0.00 O ATOM 394 CB ARG A 29 -5.843 -5.993 -0.577 1.00 0.00 C ATOM 395 CG ARG A 29 -7.073 -5.204 -0.158 1.00 0.00 C ATOM 396 CD ARG A 29 -8.105 -5.146 -1.274 1.00 0.00 C ATOM 397 NE ARG A 29 -8.680 -6.458 -1.555 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.672 -6.657 -2.417 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.195 -5.633 -3.077 1.00 0.00 N ATOM 400 NH2 ARG A 29 -10.142 -7.881 -2.619 1.00 0.00 N ATOM 0 H ARG A 29 -3.897 -7.109 -1.656 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.839 -5.553 -2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.129 -7.030 -0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.126 -5.995 0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.517 -5.662 0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.780 -4.192 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.900 -4.453 -0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.640 -4.753 -2.178 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.300 -7.266 -1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.836 -4.691 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.956 -5.788 -3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.742 -8.671 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.903 -8.032 -3.281 1.00 0.00 H new ATOM 414 N LEU A 30 -3.795 -3.679 -0.887 1.00 0.00 N ATOM 415 CA LEU A 30 -3.387 -2.303 -0.630 1.00 0.00 C ATOM 416 C LEU A 30 -2.742 -1.686 -1.868 1.00 0.00 C ATOM 417 O LEU A 30 -3.117 -0.595 -2.297 1.00 0.00 O ATOM 418 CB LEU A 30 -2.411 -2.250 0.546 1.00 0.00 C ATOM 419 CG LEU A 30 -3.024 -2.430 1.935 1.00 0.00 C ATOM 420 CD1 LEU A 30 -3.178 -3.907 2.264 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.173 -1.734 2.988 1.00 0.00 C ATOM 0 H LEU A 30 -3.210 -4.383 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.278 -1.727 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.656 -3.023 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.894 -1.291 0.520 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.014 -1.973 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.616 -4.015 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.829 -4.378 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.200 -4.388 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.624 -1.873 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.170 -2.161 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.114 -0.669 2.763 1.00 0.00 H new ATOM 433 N ARG A 31 -1.773 -2.394 -2.439 1.00 0.00 N ATOM 434 CA ARG A 31 -1.078 -1.917 -3.628 1.00 0.00 C ATOM 435 C ARG A 31 -2.034 -1.175 -4.557 1.00 0.00 C ATOM 436 O ARG A 31 -1.714 -0.100 -5.064 1.00 0.00 O ATOM 437 CB ARG A 31 -0.434 -3.088 -4.372 1.00 0.00 C ATOM 438 CG ARG A 31 0.991 -3.381 -3.931 1.00 0.00 C ATOM 439 CD ARG A 31 1.402 -4.803 -4.281 1.00 0.00 C ATOM 440 NE ARG A 31 1.285 -5.070 -5.712 1.00 0.00 N ATOM 441 CZ ARG A 31 1.129 -6.286 -6.223 1.00 0.00 C ATOM 442 NH1 ARG A 31 1.071 -7.342 -5.423 1.00 0.00 N ATOM 443 NH2 ARG A 31 1.029 -6.448 -7.536 1.00 0.00 N ATOM 0 H ARG A 31 -1.452 -3.300 -2.097 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.299 -1.225 -3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.042 -3.980 -4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.438 -2.874 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.673 -2.676 -4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.078 -3.230 -2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.431 -4.971 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.779 -5.507 -3.729 1.00 0.00 H new ATOM 0 HE ARG A 31 1.325 -4.279 -6.355 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.146 -7.221 -4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.951 -8.275 -5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.072 -5.638 -8.155 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.909 -7.382 -7.927 1.00 0.00 H new ATOM 457 N ARG A 32 -3.209 -1.757 -4.774 1.00 0.00 N ATOM 458 CA ARG A 32 -4.212 -1.152 -5.643 1.00 0.00 C ATOM 459 C ARG A 32 -4.669 0.195 -5.089 1.00 0.00 C ATOM 460 O ARG A 32 -4.827 1.163 -5.834 1.00 0.00 O ATOM 461 CB ARG A 32 -5.413 -2.086 -5.799 1.00 0.00 C ATOM 462 CG ARG A 32 -5.303 -3.027 -6.986 1.00 0.00 C ATOM 463 CD ARG A 32 -5.923 -2.423 -8.236 1.00 0.00 C ATOM 464 NE ARG A 32 -4.989 -1.554 -8.946 1.00 0.00 N ATOM 465 CZ ARG A 32 -5.109 -1.240 -10.231 1.00 0.00 C ATOM 466 NH1 ARG A 32 -6.118 -1.721 -10.943 1.00 0.00 N ATOM 467 NH2 ARG A 32 -4.218 -0.443 -10.807 1.00 0.00 N ATOM 0 H ARG A 32 -3.490 -2.646 -4.360 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.759 -0.989 -6.621 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.525 -2.675 -4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.317 -1.487 -5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.254 -3.257 -7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.799 -3.969 -6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.251 -3.223 -8.901 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.811 -1.853 -7.961 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.201 -1.167 -8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.805 -2.334 -10.504 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.207 -1.478 -11.930 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.440 -0.071 -10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.311 -0.203 -11.794 1.00 0.00 H new ATOM 481 N LEU A 33 -4.881 0.249 -3.779 1.00 0.00 N ATOM 482 CA LEU A 33 -5.321 1.476 -3.125 1.00 0.00 C ATOM 483 C LEU A 33 -4.275 2.577 -3.272 1.00 0.00 C ATOM 484 O LEU A 33 -4.601 3.764 -3.252 1.00 0.00 O ATOM 485 CB LEU A 33 -5.600 1.216 -1.644 1.00 0.00 C ATOM 486 CG LEU A 33 -6.916 0.507 -1.323 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.781 -0.319 -0.053 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.046 1.517 -1.186 1.00 0.00 C ATOM 0 H LEU A 33 -4.755 -0.543 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.240 1.807 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.782 0.620 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.588 2.171 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.154 -0.166 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.727 -0.816 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.000 -1.067 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.519 0.334 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.975 0.995 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.815 2.215 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.159 2.066 -2.121 1.00 0.00 H new ATOM 500 N SER A 34 -3.017 2.174 -3.422 1.00 0.00 N ATOM 501 CA SER A 34 -1.923 3.126 -3.571 1.00 0.00 C ATOM 502 C SER A 34 -1.706 3.480 -5.039 1.00 0.00 C ATOM 503 O SER A 34 -1.412 4.627 -5.376 1.00 0.00 O ATOM 504 CB SER A 34 -0.635 2.551 -2.978 1.00 0.00 C ATOM 505 OG SER A 34 0.230 3.585 -2.540 1.00 0.00 O ATOM 0 H SER A 34 -2.731 1.195 -3.444 1.00 0.00 H new ATOM 0 HA SER A 34 -2.190 4.035 -3.032 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.877 1.896 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.128 1.940 -3.725 1.00 0.00 H new ATOM 0 HG SER A 34 -0.288 4.262 -2.057 1.00 0.00 H new ATOM 511 N ASP A 35 -1.854 2.486 -5.908 1.00 0.00 N ATOM 512 CA ASP A 35 -1.677 2.691 -7.341 1.00 0.00 C ATOM 513 C ASP A 35 -2.600 3.792 -7.851 1.00 0.00 C ATOM 514 O ASP A 35 -2.172 4.688 -8.578 1.00 0.00 O ATOM 515 CB ASP A 35 -1.945 1.390 -8.101 1.00 0.00 C ATOM 516 CG ASP A 35 -1.281 1.369 -9.464 1.00 0.00 C ATOM 517 OD1 ASP A 35 -0.035 1.301 -9.517 1.00 0.00 O ATOM 518 OD2 ASP A 35 -2.008 1.419 -10.478 1.00 0.00 O ATOM 0 H ASP A 35 -2.096 1.531 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.646 2.998 -7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.584 0.547 -7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.020 1.258 -8.222 1.00 0.00 H new ATOM 523 N ASN A 36 -3.870 3.718 -7.467 1.00 0.00 N ATOM 524 CA ASN A 36 -4.856 4.708 -7.887 1.00 0.00 C ATOM 525 C ASN A 36 -4.592 6.054 -7.219 1.00 0.00 C ATOM 526 O ASN A 36 -4.656 7.101 -7.865 1.00 0.00 O ATOM 527 CB ASN A 36 -6.268 4.227 -7.550 1.00 0.00 C ATOM 528 CG ASN A 36 -7.335 4.982 -8.319 1.00 0.00 C ATOM 529 OD1 ASN A 36 -8.081 5.778 -7.748 1.00 0.00 O ATOM 530 ND2 ASN A 36 -7.411 4.736 -9.622 1.00 0.00 N ATOM 0 H ASN A 36 -4.241 2.983 -6.865 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.771 4.834 -8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.349 3.163 -7.771 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.443 4.344 -6.481 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.108 5.215 -10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.772 4.068 -10.053 1.00 0.00 H new ATOM 537 N CYS A 37 -4.296 6.019 -5.925 1.00 0.00 N ATOM 538 CA CYS A 37 -4.023 7.236 -5.170 1.00 0.00 C ATOM 539 C CYS A 37 -2.559 7.644 -5.306 1.00 0.00 C ATOM 540 O CYS A 37 -1.979 8.228 -4.392 1.00 0.00 O ATOM 541 CB CYS A 37 -4.374 7.036 -3.695 1.00 0.00 C ATOM 542 SG CYS A 37 -6.097 6.572 -3.402 1.00 0.00 S ATOM 0 H CYS A 37 -4.239 5.161 -5.377 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.643 8.034 -5.579 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.726 6.264 -3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.160 7.958 -3.154 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.174 5.289 -3.210 1.00 0.00 H new ATOM 548 N GLY A 38 -1.967 7.330 -6.454 1.00 0.00 N ATOM 549 CA GLY A 38 -0.576 7.669 -6.688 1.00 0.00 C ATOM 550 C GLY A 38 0.293 7.428 -5.470 1.00 0.00 C ATOM 551 O GLY A 38 0.742 8.373 -4.823 1.00 0.00 O ATOM 0 H GLY A 38 -2.426 6.847 -7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.197 7.079 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.505 8.717 -6.979 1.00 0.00 H new ATOM 555 N GLY A 39 0.529 6.158 -5.155 1.00 0.00 N ATOM 556 CA GLY A 39 1.347 5.819 -4.005 1.00 0.00 C ATOM 557 C GLY A 39 2.142 4.545 -4.215 1.00 0.00 C ATOM 558 O GLY A 39 2.037 3.903 -5.260 1.00 0.00 O ATOM 0 H GLY A 39 0.169 5.358 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.032 6.641 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.708 5.705 -3.129 1.00 0.00 H new ATOM 562 N LYS A 40 2.942 4.178 -3.219 1.00 0.00 N ATOM 563 CA LYS A 40 3.759 2.973 -3.298 1.00 0.00 C ATOM 564 C LYS A 40 3.924 2.337 -1.922 1.00 0.00 C ATOM 565 O LYS A 40 4.368 2.987 -0.975 1.00 0.00 O ATOM 566 CB LYS A 40 5.132 3.301 -3.888 1.00 0.00 C ATOM 567 CG LYS A 40 6.146 2.182 -3.727 1.00 0.00 C ATOM 568 CD LYS A 40 5.973 1.114 -4.794 1.00 0.00 C ATOM 569 CE LYS A 40 6.699 -0.169 -4.421 1.00 0.00 C ATOM 570 NZ LYS A 40 5.825 -1.099 -3.655 1.00 0.00 N ATOM 0 H LYS A 40 3.042 4.698 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 40 3.251 2.262 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.018 3.527 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.518 4.201 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.154 2.593 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.039 1.732 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.912 0.906 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.353 1.485 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.050 -0.664 -5.327 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.581 0.072 -3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.110 -2.081 -3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.918 -0.904 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.835 -0.963 -3.944 1.00 0.00 H new ATOM 584 N VAL A 41 3.565 1.061 -1.818 1.00 0.00 N ATOM 585 CA VAL A 41 3.676 0.336 -0.558 1.00 0.00 C ATOM 586 C VAL A 41 5.121 -0.058 -0.276 1.00 0.00 C ATOM 587 O VAL A 41 5.582 -1.119 -0.701 1.00 0.00 O ATOM 588 CB VAL A 41 2.801 -0.932 -0.560 1.00 0.00 C ATOM 589 CG1 VAL A 41 3.118 -1.797 -1.770 1.00 0.00 C ATOM 590 CG2 VAL A 41 2.993 -1.714 0.730 1.00 0.00 C ATOM 0 H VAL A 41 3.195 0.508 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 41 3.326 1.008 0.225 1.00 0.00 H new ATOM 0 HB VAL A 41 1.755 -0.631 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.490 -2.688 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.924 -1.232 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.167 -2.092 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.367 -2.606 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.039 -2.006 0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.711 -1.091 1.579 1.00 0.00 H new ATOM 600 N LEU A 42 5.833 0.802 0.444 1.00 0.00 N ATOM 601 CA LEU A 42 7.228 0.544 0.784 1.00 0.00 C ATOM 602 C LEU A 42 7.392 -0.845 1.394 1.00 0.00 C ATOM 603 O LEU A 42 8.162 -1.666 0.894 1.00 0.00 O ATOM 604 CB LEU A 42 7.741 1.605 1.759 1.00 0.00 C ATOM 605 CG LEU A 42 7.771 3.041 1.234 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.720 3.892 2.063 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.175 3.063 -0.233 1.00 0.00 C ATOM 0 H LEU A 42 5.467 1.684 0.804 1.00 0.00 H new ATOM 0 HA LEU A 42 7.814 0.589 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.118 1.579 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.750 1.330 2.065 1.00 0.00 H new ATOM 0 HG LEU A 42 6.769 3.461 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.729 4.911 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.387 3.902 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.725 3.474 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.191 4.093 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.167 2.625 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.457 2.488 -0.817 1.00 0.00 H new ATOM 619 N SER A 43 6.663 -1.101 2.475 1.00 0.00 N ATOM 620 CA SER A 43 6.729 -2.390 3.154 1.00 0.00 C ATOM 621 C SER A 43 5.501 -2.604 4.034 1.00 0.00 C ATOM 622 O SER A 43 4.737 -1.672 4.289 1.00 0.00 O ATOM 623 CB SER A 43 7.999 -2.480 4.001 1.00 0.00 C ATOM 624 OG SER A 43 9.124 -2.800 3.201 1.00 0.00 O ATOM 0 H SER A 43 6.020 -0.433 2.900 1.00 0.00 H new ATOM 0 HA SER A 43 6.751 -3.172 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.169 -1.531 4.510 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.871 -3.238 4.774 1.00 0.00 H new ATOM 0 HG SER A 43 8.943 -2.556 2.269 1.00 0.00 H new ATOM 630 N ILE A 44 5.318 -3.837 4.494 1.00 0.00 N ATOM 631 CA ILE A 44 4.185 -4.173 5.346 1.00 0.00 C ATOM 632 C ILE A 44 4.613 -5.071 6.502 1.00 0.00 C ATOM 633 O ILE A 44 4.884 -6.258 6.315 1.00 0.00 O ATOM 634 CB ILE A 44 3.071 -4.878 4.549 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.504 -3.938 3.483 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.969 -5.353 5.485 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.998 -4.656 2.252 1.00 0.00 C ATOM 0 H ILE A 44 5.940 -4.619 4.291 1.00 0.00 H new ATOM 0 HA ILE A 44 3.799 -3.234 5.742 1.00 0.00 H new ATOM 0 HB ILE A 44 3.497 -5.748 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.689 -3.359 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.277 -3.228 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.189 -5.849 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.384 -6.053 6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.543 -4.498 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.611 -3.928 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.815 -5.213 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.203 -5.346 2.534 1.00 0.00 H new ATOM 649 N THR A 45 4.671 -4.497 7.700 1.00 0.00 N ATOM 650 CA THR A 45 5.066 -5.244 8.887 1.00 0.00 C ATOM 651 C THR A 45 3.937 -5.285 9.911 1.00 0.00 C ATOM 652 O THR A 45 3.281 -4.277 10.167 1.00 0.00 O ATOM 653 CB THR A 45 6.318 -4.635 9.544 1.00 0.00 C ATOM 654 OG1 THR A 45 6.266 -4.820 10.963 1.00 0.00 O ATOM 655 CG2 THR A 45 6.430 -3.152 9.225 1.00 0.00 C ATOM 0 H THR A 45 4.449 -3.517 7.873 1.00 0.00 H new ATOM 0 HA THR A 45 5.294 -6.259 8.560 1.00 0.00 H new ATOM 0 HB THR A 45 7.195 -5.144 9.143 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.067 -4.431 11.373 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.322 -2.744 9.700 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.499 -3.016 8.146 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.549 -2.632 9.600 1.00 0.00 H new ATOM 663 N GLY A 46 3.717 -6.459 10.496 1.00 0.00 N ATOM 664 CA GLY A 46 2.667 -6.609 11.487 1.00 0.00 C ATOM 665 C GLY A 46 1.302 -6.231 10.946 1.00 0.00 C ATOM 666 O GLY A 46 1.020 -6.423 9.763 1.00 0.00 O ATOM 0 H GLY A 46 4.247 -7.308 10.301 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.644 -7.642 11.834 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.897 -5.987 12.352 1.00 0.00 H new ATOM 670 N CYS A 47 0.452 -5.694 11.815 1.00 0.00 N ATOM 671 CA CYS A 47 -0.892 -5.290 11.419 1.00 0.00 C ATOM 672 C CYS A 47 -0.895 -3.862 10.883 1.00 0.00 C ATOM 673 O CYS A 47 -1.919 -3.179 10.914 1.00 0.00 O ATOM 674 CB CYS A 47 -1.852 -5.405 12.604 1.00 0.00 C ATOM 675 SG CYS A 47 -1.283 -4.561 14.098 1.00 0.00 S ATOM 0 H CYS A 47 0.670 -5.529 12.798 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.226 -5.958 10.625 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.820 -4.996 12.315 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.007 -6.460 12.832 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.162 -4.713 15.044 1.00 0.00 H new ATOM 681 N SER A 48 0.257 -3.417 10.394 1.00 0.00 N ATOM 682 CA SER A 48 0.389 -2.067 9.856 1.00 0.00 C ATOM 683 C SER A 48 1.152 -2.081 8.535 1.00 0.00 C ATOM 684 O SER A 48 1.681 -3.112 8.122 1.00 0.00 O ATOM 685 CB SER A 48 1.104 -1.163 10.862 1.00 0.00 C ATOM 686 OG SER A 48 2.381 -1.680 11.195 1.00 0.00 O ATOM 0 H SER A 48 1.113 -3.971 10.359 1.00 0.00 H new ATOM 0 HA SER A 48 -0.612 -1.675 9.673 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.211 -0.162 10.444 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.500 -1.069 11.764 1.00 0.00 H new ATOM 0 HG SER A 48 2.529 -2.521 10.714 1.00 0.00 H new ATOM 692 N ALA A 49 1.203 -0.928 7.876 1.00 0.00 N ATOM 693 CA ALA A 49 1.901 -0.806 6.603 1.00 0.00 C ATOM 694 C ALA A 49 2.403 0.618 6.387 1.00 0.00 C ATOM 695 O ALA A 49 1.866 1.569 6.956 1.00 0.00 O ATOM 696 CB ALA A 49 0.991 -1.226 5.459 1.00 0.00 C ATOM 0 H ALA A 49 0.769 -0.065 8.203 1.00 0.00 H new ATOM 0 HA ALA A 49 2.766 -1.469 6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.526 -1.130 4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.686 -2.263 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.108 -0.587 5.443 1.00 0.00 H new ATOM 702 N ILE A 50 3.436 0.758 5.562 1.00 0.00 N ATOM 703 CA ILE A 50 4.009 2.066 5.271 1.00 0.00 C ATOM 704 C ILE A 50 4.068 2.319 3.769 1.00 0.00 C ATOM 705 O ILE A 50 4.701 1.567 3.026 1.00 0.00 O ATOM 706 CB ILE A 50 5.426 2.203 5.859 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.379 2.112 7.386 1.00 0.00 C ATOM 708 CG2 ILE A 50 6.056 3.516 5.421 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.746 2.023 8.028 1.00 0.00 C ATOM 0 H ILE A 50 3.893 -0.019 5.084 1.00 0.00 H new ATOM 0 HA ILE A 50 3.358 2.806 5.736 1.00 0.00 H new ATOM 0 HB ILE A 50 6.040 1.384 5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.858 2.986 7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.794 1.238 7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.057 3.598 5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.119 3.544 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.444 4.348 5.771 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.636 1.961 9.111 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.262 1.134 7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.327 2.909 7.772 1.00 0.00 H new ATOM 721 N LEU A 51 3.405 3.382 3.327 1.00 0.00 N ATOM 722 CA LEU A 51 3.383 3.736 1.912 1.00 0.00 C ATOM 723 C LEU A 51 4.252 4.961 1.644 1.00 0.00 C ATOM 724 O LEU A 51 4.679 5.647 2.572 1.00 0.00 O ATOM 725 CB LEU A 51 1.948 4.005 1.456 1.00 0.00 C ATOM 726 CG LEU A 51 1.000 2.806 1.483 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.299 2.709 2.829 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.018 2.905 0.356 1.00 0.00 C ATOM 0 H LEU A 51 2.876 4.014 3.928 1.00 0.00 H new ATOM 0 HA LEU A 51 3.786 2.896 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.528 4.789 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.978 4.396 0.439 1.00 0.00 H new ATOM 0 HG LEU A 51 1.588 1.900 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.371 1.850 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.041 2.590 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.276 3.618 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.684 2.043 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.601 3.819 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.501 2.924 -0.602 1.00 0.00 H new ATOM 740 N ARG A 52 4.508 5.230 0.368 1.00 0.00 N ATOM 741 CA ARG A 52 5.325 6.373 -0.023 1.00 0.00 C ATOM 742 C ARG A 52 4.636 7.185 -1.116 1.00 0.00 C ATOM 743 O ARG A 52 4.482 6.721 -2.246 1.00 0.00 O ATOM 744 CB ARG A 52 6.697 5.904 -0.510 1.00 0.00 C ATOM 745 CG ARG A 52 7.557 7.021 -1.076 1.00 0.00 C ATOM 746 CD ARG A 52 8.423 7.658 0.000 1.00 0.00 C ATOM 747 NE ARG A 52 9.574 6.826 0.340 1.00 0.00 N ATOM 748 CZ ARG A 52 10.663 7.289 0.943 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.748 8.570 1.272 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.669 6.469 1.219 1.00 0.00 N ATOM 0 H ARG A 52 4.162 4.672 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 52 5.456 7.010 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.226 5.434 0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.560 5.140 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.192 6.626 -1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.918 7.780 -1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.769 8.633 -0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.823 7.829 0.894 1.00 0.00 H new ATOM 0 HE ARG A 52 9.540 5.835 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.976 9.203 1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.585 8.923 1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.606 5.482 0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.505 6.825 1.682 1.00 0.00 H new ATOM 764 N PHE A 53 4.222 8.400 -0.771 1.00 0.00 N ATOM 765 CA PHE A 53 3.548 9.277 -1.722 1.00 0.00 C ATOM 766 C PHE A 53 4.429 10.471 -2.079 1.00 0.00 C ATOM 767 O PHE A 53 5.304 10.863 -1.307 1.00 0.00 O ATOM 768 CB PHE A 53 2.218 9.765 -1.144 1.00 0.00 C ATOM 769 CG PHE A 53 1.238 8.658 -0.879 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.287 7.939 0.304 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.268 8.335 -1.815 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.386 6.920 0.551 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.636 7.318 -1.573 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.576 6.609 -0.389 1.00 0.00 C ATOM 0 H PHE A 53 4.341 8.800 0.160 1.00 0.00 H new ATOM 0 HA PHE A 53 3.354 8.706 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.410 10.300 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.770 10.478 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.038 8.177 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.218 8.884 -2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.435 6.368 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.389 7.078 -2.309 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.280 5.813 -0.199 1.00 0.00 H new ATOM 784 N ILE A 54 4.191 11.043 -3.254 1.00 0.00 N ATOM 785 CA ILE A 54 4.961 12.192 -3.714 1.00 0.00 C ATOM 786 C ILE A 54 4.794 13.379 -2.770 1.00 0.00 C ATOM 787 O ILE A 54 5.775 13.948 -2.294 1.00 0.00 O ATOM 788 CB ILE A 54 4.544 12.618 -5.134 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.328 13.857 -5.570 1.00 0.00 C ATOM 790 CG2 ILE A 54 3.047 12.886 -5.189 1.00 0.00 C ATOM 791 CD1 ILE A 54 6.613 13.533 -6.299 1.00 0.00 C ATOM 0 H ILE A 54 3.471 10.730 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 54 6.007 11.885 -3.728 1.00 0.00 H new ATOM 0 HB ILE A 54 4.774 11.805 -5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.697 14.467 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.560 14.458 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.768 13.186 -6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.505 11.980 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.794 13.684 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.116 14.459 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.263 12.948 -5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.387 12.958 -7.197 1.00 0.00 H new ATOM 803 N ASN A 55 3.545 13.745 -2.504 1.00 0.00 N ATOM 804 CA ASN A 55 3.250 14.864 -1.616 1.00 0.00 C ATOM 805 C ASN A 55 2.088 14.527 -0.685 1.00 0.00 C ATOM 806 O ASN A 55 1.444 13.489 -0.832 1.00 0.00 O ATOM 807 CB ASN A 55 2.918 16.115 -2.431 1.00 0.00 C ATOM 808 CG ASN A 55 4.103 16.610 -3.238 1.00 0.00 C ATOM 809 OD1 ASN A 55 5.181 16.852 -2.694 1.00 0.00 O ATOM 810 ND2 ASN A 55 3.907 16.763 -4.542 1.00 0.00 N ATOM 0 H ASN A 55 2.721 13.284 -2.890 1.00 0.00 H new ATOM 0 HA ASN A 55 4.135 15.058 -1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.089 15.897 -3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.584 16.905 -1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.667 17.093 -5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.996 16.550 -4.949 1.00 0.00 H new ATOM 817 N GLN A 56 1.829 15.412 0.272 1.00 0.00 N ATOM 818 CA GLN A 56 0.745 15.208 1.227 1.00 0.00 C ATOM 819 C GLN A 56 -0.567 14.917 0.506 1.00 0.00 C ATOM 820 O GLN A 56 -1.162 13.854 0.685 1.00 0.00 O ATOM 821 CB GLN A 56 0.588 16.439 2.122 1.00 0.00 C ATOM 822 CG GLN A 56 -0.611 16.363 3.054 1.00 0.00 C ATOM 823 CD GLN A 56 -0.537 17.373 4.182 1.00 0.00 C ATOM 824 OE1 GLN A 56 0.220 18.343 4.114 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.324 17.152 5.228 1.00 0.00 N ATOM 0 H GLN A 56 2.354 16.276 0.407 1.00 0.00 H new ATOM 0 HA GLN A 56 0.996 14.347 1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.493 16.564 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.494 17.325 1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.523 16.530 2.481 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.677 15.359 3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.936 16.336 5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.317 17.798 6.017 1.00 0.00 H new ATOM 834 N ASP A 57 -1.013 15.868 -0.307 1.00 0.00 N ATOM 835 CA ASP A 57 -2.255 15.714 -1.055 1.00 0.00 C ATOM 836 C ASP A 57 -2.456 14.263 -1.482 1.00 0.00 C ATOM 837 O ASP A 57 -3.391 13.598 -1.035 1.00 0.00 O ATOM 838 CB ASP A 57 -2.252 16.624 -2.285 1.00 0.00 C ATOM 839 CG ASP A 57 -3.641 16.828 -2.858 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.403 15.841 -2.930 1.00 0.00 O ATOM 841 OD2 ASP A 57 -3.965 17.973 -3.235 1.00 0.00 O ATOM 0 H ASP A 57 -0.533 16.754 -0.465 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.080 16.000 -0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.827 17.591 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.606 16.194 -3.050 1.00 0.00 H new ATOM 846 N SER A 58 -1.573 13.779 -2.349 1.00 0.00 N ATOM 847 CA SER A 58 -1.656 12.408 -2.840 1.00 0.00 C ATOM 848 C SER A 58 -1.906 11.434 -1.692 1.00 0.00 C ATOM 849 O SER A 58 -2.794 10.585 -1.766 1.00 0.00 O ATOM 850 CB SER A 58 -0.369 12.028 -3.575 1.00 0.00 C ATOM 851 OG SER A 58 -0.429 12.410 -4.938 1.00 0.00 O ATOM 0 H SER A 58 -0.792 14.315 -2.726 1.00 0.00 H new ATOM 0 HA SER A 58 -2.494 12.347 -3.534 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.483 12.510 -3.096 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.209 10.952 -3.502 1.00 0.00 H new ATOM 0 HG SER A 58 0.330 12.020 -5.421 1.00 0.00 H new ATOM 857 N ALA A 59 -1.116 11.564 -0.632 1.00 0.00 N ATOM 858 CA ALA A 59 -1.252 10.698 0.533 1.00 0.00 C ATOM 859 C ALA A 59 -2.637 10.830 1.156 1.00 0.00 C ATOM 860 O ALA A 59 -3.226 9.843 1.596 1.00 0.00 O ATOM 861 CB ALA A 59 -0.176 11.021 1.559 1.00 0.00 C ATOM 0 H ALA A 59 -0.375 12.261 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.127 9.666 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.290 10.367 2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.808 10.868 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.274 12.060 1.875 1.00 0.00 H new ATOM 867 N GLU A 60 -3.151 12.055 1.192 1.00 0.00 N ATOM 868 CA GLU A 60 -4.467 12.315 1.764 1.00 0.00 C ATOM 869 C GLU A 60 -5.535 11.466 1.080 1.00 0.00 C ATOM 870 O GLU A 60 -6.126 10.579 1.697 1.00 0.00 O ATOM 871 CB GLU A 60 -4.820 13.798 1.635 1.00 0.00 C ATOM 872 CG GLU A 60 -3.849 14.720 2.353 1.00 0.00 C ATOM 873 CD GLU A 60 -4.494 16.020 2.792 1.00 0.00 C ATOM 874 OE1 GLU A 60 -4.801 16.856 1.917 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.693 16.200 4.012 1.00 0.00 O ATOM 0 H GLU A 60 -2.676 12.883 0.832 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.435 12.047 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.848 14.065 0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.822 13.960 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.445 14.207 3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.009 14.940 1.695 1.00 0.00 H new ATOM 882 N ARG A 61 -5.775 11.743 -0.197 1.00 0.00 N ATOM 883 CA ARG A 61 -6.772 11.006 -0.964 1.00 0.00 C ATOM 884 C ARG A 61 -6.775 9.531 -0.576 1.00 0.00 C ATOM 885 O ARG A 61 -7.816 8.875 -0.599 1.00 0.00 O ATOM 886 CB ARG A 61 -6.502 11.150 -2.463 1.00 0.00 C ATOM 887 CG ARG A 61 -6.450 12.593 -2.937 1.00 0.00 C ATOM 888 CD ARG A 61 -6.330 12.679 -4.451 1.00 0.00 C ATOM 889 NE ARG A 61 -7.500 12.123 -5.125 1.00 0.00 N ATOM 890 CZ ARG A 61 -7.862 12.451 -6.360 1.00 0.00 C ATOM 891 NH1 ARG A 61 -7.147 13.327 -7.053 1.00 0.00 N ATOM 892 NH2 ARG A 61 -8.940 11.902 -6.905 1.00 0.00 N ATOM 0 H ARG A 61 -5.293 12.472 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.752 11.426 -0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.556 10.664 -2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.279 10.623 -3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.349 13.116 -2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.602 13.099 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.203 13.721 -4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.437 12.144 -4.775 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.071 11.445 -4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.317 13.750 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.427 13.577 -8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.492 11.227 -6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.217 12.155 -7.854 1.00 0.00 H new ATOM 906 N ALA A 62 -5.603 9.015 -0.222 1.00 0.00 N ATOM 907 CA ALA A 62 -5.471 7.618 0.172 1.00 0.00 C ATOM 908 C ALA A 62 -5.832 7.425 1.641 1.00 0.00 C ATOM 909 O ALA A 62 -6.477 6.443 2.007 1.00 0.00 O ATOM 910 CB ALA A 62 -4.056 7.126 -0.094 1.00 0.00 C ATOM 0 H ALA A 62 -4.731 9.544 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.167 7.031 -0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.972 6.081 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.832 7.218 -1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.349 7.725 0.479 1.00 0.00 H new ATOM 916 N GLN A 63 -5.410 8.368 2.478 1.00 0.00 N ATOM 917 CA GLN A 63 -5.689 8.300 3.907 1.00 0.00 C ATOM 918 C GLN A 63 -7.180 8.469 4.180 1.00 0.00 C ATOM 919 O GLN A 63 -7.707 7.942 5.160 1.00 0.00 O ATOM 920 CB GLN A 63 -4.896 9.374 4.655 1.00 0.00 C ATOM 921 CG GLN A 63 -4.946 9.225 6.167 1.00 0.00 C ATOM 922 CD GLN A 63 -6.095 9.991 6.791 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.838 10.690 6.102 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.246 9.865 8.105 1.00 0.00 N ATOM 0 H GLN A 63 -4.874 9.187 2.191 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.382 7.317 4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.856 9.339 4.329 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.283 10.356 4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.038 8.169 6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.006 9.575 6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.607 9.275 8.638 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.001 10.358 8.581 1.00 0.00 H new ATOM 933 N LYS A 64 -7.855 9.210 3.308 1.00 0.00 N ATOM 934 CA LYS A 64 -9.286 9.449 3.453 1.00 0.00 C ATOM 935 C LYS A 64 -10.093 8.303 2.851 1.00 0.00 C ATOM 936 O LYS A 64 -11.268 8.124 3.172 1.00 0.00 O ATOM 937 CB LYS A 64 -9.674 10.768 2.781 1.00 0.00 C ATOM 938 CG LYS A 64 -9.432 10.781 1.282 1.00 0.00 C ATOM 939 CD LYS A 64 -10.638 10.261 0.517 1.00 0.00 C ATOM 940 CE LYS A 64 -11.651 11.365 0.257 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.551 11.034 -0.883 1.00 0.00 N ATOM 0 H LYS A 64 -7.434 9.656 2.493 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.513 9.510 4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.729 10.967 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.108 11.580 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.205 11.797 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.560 10.170 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.312 9.834 -0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.110 9.458 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.247 11.530 1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.127 12.297 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.227 11.811 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.985 10.902 -1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.071 10.158 -0.672 1.00 0.00 H new ATOM 955 N ARG A 65 -9.455 7.529 1.979 1.00 0.00 N ATOM 956 CA ARG A 65 -10.114 6.401 1.333 1.00 0.00 C ATOM 957 C ARG A 65 -9.887 5.115 2.123 1.00 0.00 C ATOM 958 O ARG A 65 -10.835 4.499 2.610 1.00 0.00 O ATOM 959 CB ARG A 65 -9.598 6.232 -0.097 1.00 0.00 C ATOM 960 CG ARG A 65 -9.625 4.794 -0.588 1.00 0.00 C ATOM 961 CD ARG A 65 -11.045 4.254 -0.652 1.00 0.00 C ATOM 962 NE ARG A 65 -11.199 3.240 -1.692 1.00 0.00 N ATOM 963 CZ ARG A 65 -11.239 3.519 -2.990 1.00 0.00 C ATOM 964 NH1 ARG A 65 -11.137 4.774 -3.406 1.00 0.00 N ATOM 965 NH2 ARG A 65 -11.381 2.541 -3.876 1.00 0.00 N ATOM 0 H ARG A 65 -8.482 7.663 1.704 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.184 6.605 1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.200 6.847 -0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.576 6.607 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.168 4.737 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.027 4.170 0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.314 3.826 0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.737 5.075 -0.841 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.280 2.264 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.027 5.529 -2.728 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.168 4.985 -4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.460 1.574 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.412 2.756 -4.873 1.00 0.00 H new ATOM 979 N MET A 66 -8.625 4.715 2.244 1.00 0.00 N ATOM 980 CA MET A 66 -8.275 3.503 2.974 1.00 0.00 C ATOM 981 C MET A 66 -8.968 3.467 4.333 1.00 0.00 C ATOM 982 O MET A 66 -9.564 2.458 4.708 1.00 0.00 O ATOM 983 CB MET A 66 -6.759 3.414 3.160 1.00 0.00 C ATOM 984 CG MET A 66 -6.017 2.979 1.906 1.00 0.00 C ATOM 985 SD MET A 66 -4.289 2.576 2.226 1.00 0.00 S ATOM 986 CE MET A 66 -3.464 3.873 1.306 1.00 0.00 C ATOM 0 H MET A 66 -7.829 5.213 1.846 1.00 0.00 H new ATOM 0 HA MET A 66 -8.614 2.647 2.390 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.382 4.387 3.476 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.540 2.711 3.964 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.515 2.110 1.477 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.069 3.775 1.163 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.385 3.770 1.421 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.726 3.794 0.251 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.778 4.845 1.686 1.00 0.00 H new ATOM 996 N GLU A 67 -8.884 4.574 5.064 1.00 0.00 N ATOM 997 CA GLU A 67 -9.503 4.667 6.381 1.00 0.00 C ATOM 998 C GLU A 67 -10.872 3.991 6.388 1.00 0.00 C ATOM 999 O GLU A 67 -11.280 3.403 7.388 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.643 6.131 6.802 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.743 6.874 6.063 1.00 0.00 C ATOM 1002 CD GLU A 67 -11.207 8.115 6.801 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -12.042 7.982 7.720 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -10.733 9.219 6.460 1.00 0.00 O ATOM 0 H GLU A 67 -8.394 5.418 4.767 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.859 4.152 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.842 6.175 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.695 6.641 6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.384 7.157 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.591 6.206 5.915 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.575 4.082 5.264 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.898 3.481 5.140 1.00 0.00 C ATOM 1013 C ASN A 68 -12.826 2.157 4.385 1.00 0.00 C ATOM 1014 O ASN A 68 -13.712 1.312 4.509 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.851 4.439 4.422 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.885 5.811 5.066 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.457 6.800 4.470 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.396 5.878 6.290 1.00 0.00 N ATOM 0 H ASN A 68 -11.251 4.566 4.426 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.277 3.286 6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.546 4.537 3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.855 4.016 4.422 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.445 6.775 6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.739 5.033 6.746 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.764 1.984 3.605 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.577 0.763 2.831 1.00 0.00 C ATOM 1027 C GLU A 69 -11.372 -0.438 3.750 1.00 0.00 C ATOM 1028 O GLU A 69 -10.762 -0.323 4.813 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.379 0.908 1.889 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.493 0.071 0.626 1.00 0.00 C ATOM 1031 CD GLU A 69 -10.749 -1.395 0.919 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -10.038 -1.963 1.774 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -11.662 -1.973 0.293 1.00 0.00 O ATOM 0 H GLU A 69 -11.021 2.673 3.492 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.478 0.597 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.271 1.956 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.472 0.624 2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.302 0.461 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.575 0.167 0.047 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.887 -1.590 3.332 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.761 -2.813 4.116 1.00 0.00 C ATOM 1042 C ASP A 70 -10.973 -3.871 3.350 1.00 0.00 C ATOM 1043 O ASP A 70 -11.547 -4.678 2.618 1.00 0.00 O ATOM 1044 CB ASP A 70 -13.144 -3.354 4.483 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.937 -3.785 3.265 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.626 -3.307 2.154 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.869 -4.601 3.424 1.00 0.00 O ATOM 0 H ASP A 70 -12.395 -1.702 2.455 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.219 -2.574 5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.032 -4.202 5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.700 -2.587 5.023 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.655 -3.861 3.523 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.789 -4.820 2.848 1.00 0.00 C ATOM 1054 C VAL A 71 -9.479 -6.170 2.692 1.00 0.00 C ATOM 1055 O VAL A 71 -9.645 -6.670 1.579 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.466 -5.017 3.613 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -6.601 -6.061 2.923 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.723 -3.696 3.740 1.00 0.00 C ATOM 0 H VAL A 71 -9.164 -3.200 4.125 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.572 -4.410 1.861 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.696 -5.376 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.671 -6.187 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.135 -7.011 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.377 -5.734 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.791 -3.853 4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.503 -3.305 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.342 -2.981 4.282 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.881 -6.756 3.815 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.554 -8.049 3.804 1.00 0.00 C ATOM 1070 C PHE A 72 -11.378 -8.245 5.074 1.00 0.00 C ATOM 1071 O PHE A 72 -10.832 -8.479 6.151 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.531 -9.179 3.667 1.00 0.00 C ATOM 1073 CG PHE A 72 -9.105 -9.434 2.250 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -10.031 -9.814 1.292 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.778 -9.294 1.875 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.642 -10.049 -0.014 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.384 -9.527 0.572 1.00 0.00 C ATOM 1078 CZ PHE A 72 -8.317 -9.906 -0.374 1.00 0.00 C ATOM 0 H PHE A 72 -9.752 -6.356 4.744 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.228 -8.072 2.948 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.652 -8.937 4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.955 -10.094 4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -11.069 -9.928 1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -7.044 -8.999 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.374 -10.344 -0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.347 -9.413 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.010 -10.090 -1.393 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.697 -8.146 4.937 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.575 -8.313 6.080 1.00 0.00 C ATOM 1090 C GLY A 73 -13.024 -7.665 7.335 1.00 0.00 C ATOM 1091 O GLY A 73 -13.218 -8.172 8.439 1.00 0.00 O ATOM 0 H GLY A 73 -13.173 -7.953 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.550 -7.883 5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.731 -9.376 6.262 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.335 -6.542 7.165 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.752 -5.825 8.293 1.00 0.00 C ATOM 1097 C ASN A 74 -11.273 -4.440 7.868 1.00 0.00 C ATOM 1098 O ASN A 74 -10.382 -4.310 7.028 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.586 -6.621 8.883 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.530 -5.727 9.502 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -9.506 -5.525 10.717 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.650 -5.185 8.668 1.00 0.00 N ATOM 0 H ASN A 74 -12.167 -6.109 6.257 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.524 -5.706 9.054 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.965 -7.308 9.639 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.131 -7.228 8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.917 -4.574 9.027 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.708 -5.380 7.668 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.870 -3.408 8.455 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.505 -2.032 8.137 1.00 0.00 C ATOM 1111 C ARG A 75 -10.054 -1.753 8.519 1.00 0.00 C ATOM 1112 O ARG A 75 -9.452 -2.496 9.295 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.432 -1.056 8.863 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.654 0.247 8.111 1.00 0.00 C ATOM 1115 CD ARG A 75 -14.002 0.864 8.450 1.00 0.00 C ATOM 1116 NE ARG A 75 -13.914 1.777 9.587 1.00 0.00 N ATOM 1117 CZ ARG A 75 -14.943 2.483 10.043 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -16.131 2.381 9.462 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -14.785 3.293 11.082 1.00 0.00 N ATOM 0 H ARG A 75 -12.608 -3.498 9.153 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.613 -1.892 7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.395 -1.538 9.029 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.014 -0.833 9.844 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.859 0.950 8.357 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.596 0.063 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.384 1.401 7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.717 0.073 8.675 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.014 1.878 10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.256 1.759 8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.919 2.924 9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.873 3.374 11.531 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.576 3.835 11.431 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.500 -0.677 7.970 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.121 -0.300 8.253 1.00 0.00 C ATOM 1135 C ILE A 76 -8.024 1.170 8.650 1.00 0.00 C ATOM 1136 O ILE A 76 -8.890 1.974 8.306 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.207 -0.554 7.041 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.753 0.163 5.804 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -7.076 -2.047 6.780 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.815 0.120 4.618 1.00 0.00 C ATOM 0 H ILE A 76 -9.985 -0.051 7.327 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.788 -0.922 9.084 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.217 -0.155 7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.704 -0.289 5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.958 1.203 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.427 -2.210 5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.647 -2.533 7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.060 -2.469 6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.267 0.647 3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.872 0.599 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.630 -0.917 4.338 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.964 1.512 9.374 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.752 2.886 9.814 1.00 0.00 C ATOM 1154 C ILE A 77 -5.464 3.457 9.232 1.00 0.00 C ATOM 1155 O ILE A 77 -4.391 2.870 9.375 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.695 2.981 11.350 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.964 2.392 11.968 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.511 4.428 11.784 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.862 2.165 13.460 1.00 0.00 C ATOM 0 H ILE A 77 -6.239 0.858 9.668 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.600 3.468 9.453 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.841 2.404 11.703 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.800 3.062 11.767 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.190 1.444 11.479 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.473 4.479 12.872 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.581 4.817 11.369 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.348 5.026 11.422 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.798 1.746 13.829 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.047 1.471 13.668 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.667 3.114 13.960 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.577 4.608 8.576 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.421 5.262 7.974 1.00 0.00 C ATOM 1173 C VAL A 78 -4.132 6.598 8.649 1.00 0.00 C ATOM 1174 O VAL A 78 -5.009 7.455 8.753 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.630 5.496 6.466 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.372 6.073 5.836 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.036 4.201 5.778 1.00 0.00 C ATOM 0 H VAL A 78 -6.458 5.107 8.448 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.571 4.595 8.116 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.436 6.218 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.539 6.232 4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.130 7.024 6.311 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.544 5.378 5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.180 4.384 4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.253 3.455 5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.966 3.835 6.212 1.00 0.00 H new ATOM 1187 N SER A 79 -2.895 6.768 9.107 1.00 0.00 N ATOM 1188 CA SER A 79 -2.491 7.999 9.776 1.00 0.00 C ATOM 1189 C SER A 79 -1.121 8.459 9.285 1.00 0.00 C ATOM 1190 O SER A 79 -0.291 7.647 8.874 1.00 0.00 O ATOM 1191 CB SER A 79 -2.459 7.794 11.292 1.00 0.00 C ATOM 1192 OG SER A 79 -2.790 8.991 11.975 1.00 0.00 O ATOM 0 H SER A 79 -2.156 6.069 9.027 1.00 0.00 H new ATOM 0 HA SER A 79 -3.222 8.771 9.536 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.160 7.007 11.571 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.467 7.460 11.596 1.00 0.00 H new ATOM 0 HG SER A 79 -2.764 8.834 12.942 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.892 9.767 9.331 1.00 0.00 N ATOM 1199 CA PHE A 80 0.376 10.337 8.890 1.00 0.00 C ATOM 1200 C PHE A 80 1.440 10.201 9.975 1.00 0.00 C ATOM 1201 O PHE A 80 2.637 10.182 9.689 1.00 0.00 O ATOM 1202 CB PHE A 80 0.195 11.810 8.518 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.403 12.016 7.156 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.589 11.391 6.804 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.220 12.834 6.228 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.141 11.578 5.551 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.328 13.025 4.973 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.510 12.397 4.635 1.00 0.00 C ATOM 0 H PHE A 80 -1.568 10.452 9.669 1.00 0.00 H new ATOM 0 HA PHE A 80 0.708 9.786 8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.442 12.288 9.262 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.163 12.309 8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.087 10.751 7.517 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.144 13.328 6.488 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.065 11.084 5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.168 13.665 4.258 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.941 12.546 3.656 1.00 0.00 H new ATOM 1218 N THR A 81 0.994 10.107 11.224 1.00 0.00 N ATOM 1219 CA THR A 81 1.906 9.975 12.354 1.00 0.00 C ATOM 1220 C THR A 81 1.873 8.562 12.924 1.00 0.00 C ATOM 1221 O THR A 81 0.884 7.839 12.800 1.00 0.00 O ATOM 1222 CB THR A 81 1.563 10.976 13.473 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.158 10.938 13.751 1.00 0.00 O ATOM 1224 CG2 THR A 81 1.969 12.388 13.079 1.00 0.00 C ATOM 0 H THR A 81 0.006 10.120 11.479 1.00 0.00 H new ATOM 0 HA THR A 81 2.907 10.190 11.979 1.00 0.00 H new ATOM 0 HB THR A 81 2.118 10.692 14.367 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.052 11.576 14.465 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.717 13.077 13.885 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.043 12.420 12.897 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.438 12.680 12.173 1.00 0.00 H new ATOM 1232 N PRO A 82 2.979 8.156 13.566 1.00 0.00 N ATOM 1233 CA PRO A 82 3.101 6.826 14.169 1.00 0.00 C ATOM 1234 C PRO A 82 2.211 6.662 15.397 1.00 0.00 C ATOM 1235 O PRO A 82 1.989 7.613 16.147 1.00 0.00 O ATOM 1236 CB PRO A 82 4.577 6.750 14.566 1.00 0.00 C ATOM 1237 CG PRO A 82 4.994 8.169 14.746 1.00 0.00 C ATOM 1238 CD PRO A 82 4.195 8.965 13.752 1.00 0.00 C ATOM 0 HA PRO A 82 2.788 6.038 13.484 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.711 6.178 15.484 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.170 6.258 13.795 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.799 8.507 15.764 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.063 8.287 14.571 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.961 9.961 14.129 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.736 9.098 12.815 1.00 0.00 H new ATOM 1246 N LYS A 83 1.702 5.451 15.596 1.00 0.00 N ATOM 1247 CA LYS A 83 0.837 5.161 16.733 1.00 0.00 C ATOM 1248 C LYS A 83 1.661 4.812 17.968 1.00 0.00 C ATOM 1249 O LYS A 83 1.333 3.879 18.701 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.113 4.009 16.397 1.00 0.00 C ATOM 1251 CG LYS A 83 -0.959 4.259 15.161 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.281 4.917 15.514 1.00 0.00 C ATOM 1253 CE LYS A 83 -3.214 3.950 16.226 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.093 3.221 15.270 1.00 0.00 N ATOM 0 H LYS A 83 1.874 4.654 14.984 1.00 0.00 H new ATOM 0 HA LYS A 83 0.251 6.054 16.950 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.470 3.100 16.250 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.771 3.832 17.248 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.410 4.894 14.466 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.147 3.314 14.650 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.099 5.783 16.150 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.760 5.284 14.606 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.626 3.232 16.798 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.829 4.498 16.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.714 2.572 15.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.673 3.904 14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.507 2.677 14.605 1.00 0.00 H new ATOM 1268 N ASN A 84 2.730 5.568 18.194 1.00 0.00 N ATOM 1269 CA ASN A 84 3.600 5.338 19.342 1.00 0.00 C ATOM 1270 C ASN A 84 3.208 6.236 20.511 1.00 0.00 C ATOM 1271 O ASN A 84 2.862 5.754 21.589 1.00 0.00 O ATOM 1272 CB ASN A 84 5.060 5.588 18.959 1.00 0.00 C ATOM 1273 CG ASN A 84 6.030 5.033 19.985 1.00 0.00 C ATOM 1274 OD1 ASN A 84 6.400 5.717 20.940 1.00 0.00 O ATOM 1275 ND2 ASN A 84 6.446 3.787 19.792 1.00 0.00 N ATOM 0 H ASN A 84 3.015 6.345 17.598 1.00 0.00 H new ATOM 0 HA ASN A 84 3.485 4.299 19.651 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.261 5.133 17.989 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.226 6.660 18.849 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.099 3.360 20.449 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.113 3.257 18.987 1.00 0.00 H new ATOM 1282 N ARG A 85 3.263 7.545 20.288 1.00 0.00 N ATOM 1283 CA ARG A 85 2.914 8.512 21.322 1.00 0.00 C ATOM 1284 C ARG A 85 1.439 8.893 21.235 1.00 0.00 C ATOM 1285 O ARG A 85 0.833 8.824 20.166 1.00 0.00 O ATOM 1286 CB ARG A 85 3.784 9.764 21.195 1.00 0.00 C ATOM 1287 CG ARG A 85 5.266 9.499 21.402 1.00 0.00 C ATOM 1288 CD ARG A 85 5.610 9.384 22.879 1.00 0.00 C ATOM 1289 NE ARG A 85 5.469 10.660 23.575 1.00 0.00 N ATOM 1290 CZ ARG A 85 5.738 10.828 24.865 1.00 0.00 C ATOM 1291 NH1 ARG A 85 6.161 9.805 25.595 1.00 0.00 N ATOM 1292 NH2 ARG A 85 5.585 12.020 25.427 1.00 0.00 N ATOM 0 H ARG A 85 3.546 7.960 19.400 1.00 0.00 H new ATOM 0 HA ARG A 85 3.095 8.049 22.292 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.636 10.200 20.207 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.451 10.503 21.923 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.547 8.579 20.889 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.847 10.305 20.954 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.961 8.643 23.346 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.633 9.024 22.986 1.00 0.00 H new ATOM 0 HE ARG A 85 5.146 11.467 23.041 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.280 8.887 25.166 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.367 9.936 26.585 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.260 12.809 24.868 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.792 12.147 26.418 1.00 0.00 H new ATOM 1306 N GLU A 86 0.869 9.294 22.366 1.00 0.00 N ATOM 1307 CA GLU A 86 -0.535 9.685 22.417 1.00 0.00 C ATOM 1308 C GLU A 86 -0.709 11.147 22.014 1.00 0.00 C ATOM 1309 O GLU A 86 -1.645 11.816 22.451 1.00 0.00 O ATOM 1310 CB GLU A 86 -1.100 9.461 23.821 1.00 0.00 C ATOM 1311 CG GLU A 86 -2.584 9.135 23.836 1.00 0.00 C ATOM 1312 CD GLU A 86 -2.984 8.293 25.031 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -2.813 8.764 26.175 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -3.469 7.161 24.823 1.00 0.00 O ATOM 0 H GLU A 86 1.357 9.357 23.259 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.084 9.064 21.709 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.553 8.647 24.298 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.927 10.355 24.420 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.156 10.063 23.842 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.845 8.606 22.920 1.00 0.00 H new ATOM 1321 N LEU A 87 0.201 11.635 21.178 1.00 0.00 N ATOM 1322 CA LEU A 87 0.151 13.018 20.715 1.00 0.00 C ATOM 1323 C LEU A 87 -0.342 13.945 21.822 1.00 0.00 C ATOM 1324 O LEU A 87 -1.155 14.838 21.581 1.00 0.00 O ATOM 1325 CB LEU A 87 -0.761 13.134 19.493 1.00 0.00 C ATOM 1326 CG LEU A 87 -1.916 12.135 19.419 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -3.101 12.629 20.234 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -2.324 11.896 17.973 1.00 0.00 C ATOM 0 H LEU A 87 0.982 11.094 20.807 1.00 0.00 H new ATOM 0 HA LEU A 87 1.161 13.319 20.437 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.177 14.141 19.469 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.151 13.020 18.597 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.579 11.188 19.841 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.914 11.905 20.170 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.802 12.748 21.276 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.438 13.589 19.842 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.147 11.182 17.940 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.642 12.837 17.524 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.476 11.497 17.417 1.00 0.00 H new ATOM 1340 N CYS A 88 0.156 13.728 23.034 1.00 0.00 N ATOM 1341 CA CYS A 88 -0.233 14.545 24.178 1.00 0.00 C ATOM 1342 C CYS A 88 0.880 15.516 24.556 1.00 0.00 C ATOM 1343 O CYS A 88 1.168 15.717 25.735 1.00 0.00 O ATOM 1344 CB CYS A 88 -0.577 13.655 25.373 1.00 0.00 C ATOM 1345 SG CYS A 88 0.830 12.731 26.035 1.00 0.00 S ATOM 0 H CYS A 88 0.830 12.993 23.250 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.114 15.122 23.898 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.996 14.275 26.165 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -1.353 12.950 25.076 1.00 0.00 H new ATOM 0 HG CYS A 88 1.785 13.557 26.343 1.00 0.00 H new ATOM 1351 N GLU A 89 1.504 16.115 23.546 1.00 0.00 N ATOM 1352 CA GLU A 89 2.588 17.064 23.773 1.00 0.00 C ATOM 1353 C GLU A 89 2.352 18.355 22.995 1.00 0.00 C ATOM 1354 O GLU A 89 2.730 18.469 21.828 1.00 0.00 O ATOM 1355 CB GLU A 89 3.928 16.448 23.367 1.00 0.00 C ATOM 1356 CG GLU A 89 5.132 17.242 23.844 1.00 0.00 C ATOM 1357 CD GLU A 89 6.361 17.010 22.987 1.00 0.00 C ATOM 1358 OE1 GLU A 89 7.075 16.015 23.228 1.00 0.00 O ATOM 1359 OE2 GLU A 89 6.608 17.825 22.073 1.00 0.00 O ATOM 0 H GLU A 89 1.278 15.960 22.564 1.00 0.00 H new ATOM 0 HA GLU A 89 2.613 17.301 24.837 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.989 15.436 23.767 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.966 16.364 22.281 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.887 18.304 23.841 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.356 16.970 24.875 1.00 0.00 H new ATOM 1366 N THR A 90 1.725 19.328 23.649 1.00 0.00 N ATOM 1367 CA THR A 90 1.437 20.610 23.020 1.00 0.00 C ATOM 1368 C THR A 90 2.067 21.759 23.799 1.00 0.00 C ATOM 1369 O THR A 90 2.239 21.676 25.015 1.00 0.00 O ATOM 1370 CB THR A 90 -0.080 20.853 22.906 1.00 0.00 C ATOM 1371 OG1 THR A 90 -0.330 22.070 22.194 1.00 0.00 O ATOM 1372 CG2 THR A 90 -0.721 20.925 24.284 1.00 0.00 C ATOM 0 H THR A 90 1.407 19.252 24.615 1.00 0.00 H new ATOM 0 HA THR A 90 1.867 20.574 22.019 1.00 0.00 H new ATOM 0 HB THR A 90 -0.519 20.018 22.361 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.297 22.216 22.125 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.792 21.097 24.178 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.555 19.986 24.812 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.276 21.743 24.850 1.00 0.00 H new ATOM 1380 N SER A 91 2.408 22.831 23.092 1.00 0.00 N ATOM 1381 CA SER A 91 3.022 23.997 23.718 1.00 0.00 C ATOM 1382 C SER A 91 1.961 24.911 24.321 1.00 0.00 C ATOM 1383 O SER A 91 0.980 25.260 23.666 1.00 0.00 O ATOM 1384 CB SER A 91 3.857 24.770 22.695 1.00 0.00 C ATOM 1385 OG SER A 91 4.940 23.987 22.224 1.00 0.00 O ATOM 0 H SER A 91 2.270 22.917 22.085 1.00 0.00 H new ATOM 0 HA SER A 91 3.674 23.648 24.519 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.227 25.067 21.856 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.236 25.686 23.148 1.00 0.00 H new ATOM 0 HG SER A 91 5.457 24.503 21.570 1.00 0.00 H new ATOM 1391 N GLY A 92 2.166 25.296 25.578 1.00 0.00 N ATOM 1392 CA GLY A 92 1.219 26.167 26.250 1.00 0.00 C ATOM 1393 C GLY A 92 -0.178 25.581 26.293 1.00 0.00 C ATOM 1394 O GLY A 92 -0.391 24.405 25.998 1.00 0.00 O ATOM 0 H GLY A 92 2.970 25.020 26.142 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.562 26.355 27.267 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.190 27.130 25.740 1.00 0.00 H new ATOM 1398 N PRO A 93 -1.162 26.412 26.670 1.00 0.00 N ATOM 1399 CA PRO A 93 -2.563 25.991 26.760 1.00 0.00 C ATOM 1400 C PRO A 93 -3.178 25.726 25.390 1.00 0.00 C ATOM 1401 O PRO A 93 -3.216 26.611 24.535 1.00 0.00 O ATOM 1402 CB PRO A 93 -3.248 27.182 27.433 1.00 0.00 C ATOM 1403 CG PRO A 93 -2.388 28.352 27.100 1.00 0.00 C ATOM 1404 CD PRO A 93 -0.981 27.827 27.036 1.00 0.00 C ATOM 0 HA PRO A 93 -2.673 25.054 27.306 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -4.263 27.318 27.059 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.322 27.039 28.511 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.683 28.795 26.149 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.480 29.131 27.856 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.386 28.361 26.295 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.469 27.933 27.992 1.00 0.00 H new ATOM 1412 N SER A 94 -3.660 24.504 25.189 1.00 0.00 N ATOM 1413 CA SER A 94 -4.271 24.122 23.921 1.00 0.00 C ATOM 1414 C SER A 94 -5.782 24.328 23.963 1.00 0.00 C ATOM 1415 O SER A 94 -6.422 24.103 24.990 1.00 0.00 O ATOM 1416 CB SER A 94 -3.952 22.661 23.597 1.00 0.00 C ATOM 1417 OG SER A 94 -3.917 22.446 22.196 1.00 0.00 O ATOM 0 H SER A 94 -3.639 23.761 25.888 1.00 0.00 H new ATOM 0 HA SER A 94 -3.857 24.759 23.139 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.991 22.390 24.034 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.702 22.013 24.049 1.00 0.00 H new ATOM 0 HG SER A 94 -3.710 21.506 22.014 1.00 0.00 H new ATOM 1423 N SER A 95 -6.346 24.757 22.838 1.00 0.00 N ATOM 1424 CA SER A 95 -7.781 24.998 22.746 1.00 0.00 C ATOM 1425 C SER A 95 -8.516 23.734 22.309 1.00 0.00 C ATOM 1426 O SER A 95 -9.376 23.223 23.025 1.00 0.00 O ATOM 1427 CB SER A 95 -8.067 26.134 21.763 1.00 0.00 C ATOM 1428 OG SER A 95 -7.674 27.385 22.300 1.00 0.00 O ATOM 0 H SER A 95 -5.831 24.945 21.978 1.00 0.00 H new ATOM 0 HA SER A 95 -8.141 25.284 23.734 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.536 25.953 20.829 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.131 26.155 21.526 1.00 0.00 H new ATOM 0 HG SER A 95 -7.866 28.094 21.651 1.00 0.00 H new ATOM 1434 N GLY A 96 -8.171 23.236 21.125 1.00 0.00 N ATOM 1435 CA GLY A 96 -8.807 22.037 20.611 1.00 0.00 C ATOM 1436 C GLY A 96 -8.817 21.990 19.096 1.00 0.00 C ATOM 1437 O GLY A 96 -7.763 22.002 18.462 1.00 0.00 O ATOM 0 H GLY A 96 -7.463 23.641 20.513 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.286 21.160 20.995 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.831 21.986 20.980 1.00 0.00 H new TER 1441 GLY A 96